Peak 2 from nnoeabs.peaks (4.83, 9.08, 127.78 ppm; 3.04 A): 2 out of 2 assignments used, quality = 0.82: * HA ILE 3 + H LEU 4 OK 78 100 - 78 - 3.6=62, 3.2/7305=17...(11) HA ILE 5 + H LEU 4 OK 18 97 - 18 - ~9=7, 10728/4.4=4...(6) Peak 3 from nnoeabs.peaks (1.81, 9.08, 127.78 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 3 + H LEU 4 OK 100 100 - 100 - 4.4=100 Peak 4 from nnoeabs.peaks (1.08, 9.08, 127.78 ppm; 3.60 A): 1 out of 4 assignments used, quality = 0.83: * QG2 ILE 3 + H LEU 4 OK 83 100 - 83 - 4.4=56, 3.2/2=25...(9) HG2 LYS 53 - H LEU 4 lone 6 92 - 7 - 11243/4.4=3, 9046/2.9=3 HG2 LYS 2 - H LEU 4 lone 1 94 - 1 - HD3 LYS 61 - H LEU 4 lone 0 61 - 0 - Peak 5 from nnoeabs.peaks (1.56, 9.08, 127.78 ppm; 4.72 A): 2 out of 11 assignments used, quality = 0.95: * HG12 ILE 3 + H LEU 4 OK 87 100 - 87 - 3.2/7305=38, 2.1/7308=34...(7) HB VAL 78 + H LEU 4 OK 65 99 - 65 - 3.0/9041=35, 2.1/9884=23...(4) HG LEU 55 - H LEU 4 OK 12 99 - 12 - 2.1/1034=5, 2.1/10665=4, 9520=3 HG2 LYS 115 - H LEU 4 lone 2 100 - 2 - HG3 LYS 96 - H LEU 4 lone 2 94 - 2 - HG2 LYS 65 - H LEU 4 lone 1 87 - 2 - HD3 LYS 106 - H LEU 4 lone 1 100 - 1 - HD2 LYS 106 - H LEU 4 lone 1 100 - 1 - HG2 LYS 123 - H LEU 4 lone 1 81 - 1 - HB3 LEU 70 - H LEU 4 lone 1 94 - 1 - QB ALA 46 - H LEU 4 lone 1 90 - 1 - Peak 6 from nnoeabs.peaks (1.22, 9.08, 127.78 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.97: * HG13 ILE 3 + H LEU 4 OK 97 100 - 97 - 3.2/7305=48, 7307=48...(7) Peak 7 from nnoeabs.peaks (0.97, 9.08, 127.78 ppm; 4.58 A): 2 out of 5 assignments used, quality = 0.89: * QD1 ILE 3 + H LEU 4 OK 87 100 - 87 - 7308=38, 3.0/7305=38...(7) QD1 LEU 38 + H LEU 4 OK 16 97 - 17 - 10999/4.6=14 HG13 ILE 56 - H LEU 4 poor 10 90 - 11 - 11708/10665=4...(5) HD3 LYS 2 - H LEU 4 lone 2 94 - 2 - HG13 ILE 116 - H LEU 4 lone 1 100 - 1 - Peak 8 from nnoeabs.peaks (9.08, 8.77, 123.01 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 4 + H ILE 5 OK 100 100 - 100 - 4.6=100 Peak 9 from nnoeabs.peaks (5.46, 8.77, 123.01 ppm; 3.50 A): 1 out of 1 assignment used, quality = 0.96: * HA LEU 4 + H ILE 5 OK 96 100 - 96 - 3.6=94, 3.8/7313=13...(9) Peak 10 from nnoeabs.peaks (1.44, 8.77, 123.01 ppm; 4.26 A): 3 out of 12 assignments used, quality = 1.00: HB3 LEU 4 + H ILE 5 OK 98 100 - 98 - 4.4=93, 3.0/9=37...(11) * HB2 LEU 4 + H ILE 5 OK 98 100 - 98 - 4.4=93, 3.0/9=37...(11) HG LEU 4 + H ILE 5 OK 57 81 - 71 - 3.7/9=32, 2.1/7313=28...(8) HG12 ILE 56 - H ILE 5 OK 12 92 - 13 - 4.6/9529=7, 3.2/14=2, 2.1/14=2 HB3 LEU 63 - H ILE 5 lone 4 90 - 4 - 11261/10999=3 HG LEU 80 - H ILE 5 lone 4 99 - 4 - HG3 LYS 17 - H ILE 5 lone 4 96 - 4 - 10942/4.0=2 HG3 ARG 30 - H ILE 5 lone 1 77 - 2 - HG2 LYS 96 - H ILE 5 lone 1 100 - 1 - HG3 LYS 44 - H ILE 5 lone 1 100 - 1 - HB3 LYS 61 - H ILE 5 lone 1 99 - 1 - HB3 GLN 83 - H ILE 5 lone 1 70 - 1 - Peak 11 from nnoeabs.peaks (1.44, 8.77, 123.01 ppm; 4.26 A): 3 out of 12 assignments used, quality = 1.00: * HB3 LEU 4 + H ILE 5 OK 98 100 - 98 - 4.4=93, 3.0/9=37...(11) HB2 LEU 4 + H ILE 5 OK 98 100 - 98 - 4.4=93, 3.0/9=37...(11) HG LEU 4 + H ILE 5 OK 57 81 - 71 - 3.7/9=32, 2.1/7313=28...(8) HG12 ILE 56 - H ILE 5 OK 12 92 - 13 - 4.6/9529=7, 3.2/14=2, 2.1/14=2 HB3 LEU 63 - H ILE 5 lone 4 90 - 4 - 11261/10999=3 HG LEU 80 - H ILE 5 lone 4 99 - 4 - HG3 LYS 17 - H ILE 5 lone 4 96 - 4 - 10942/4.0=2 HG3 ARG 30 - H ILE 5 lone 1 77 - 2 - HG2 LYS 96 - H ILE 5 lone 1 100 - 1 - HG3 LYS 44 - H ILE 5 lone 1 100 - 1 - HB3 LYS 61 - H ILE 5 lone 1 99 - 1 - HB3 GLN 83 - H ILE 5 lone 1 70 - 1 - Peak 12 from nnoeabs.peaks (1.45, 8.77, 123.01 ppm; 4.26 A): 3 out of 17 assignments used, quality = 0.99: HB3 LEU 4 + H ILE 5 OK 79 81 - 98 - 4.4=93, 3.0/9=37...(11) HB2 LEU 4 + H ILE 5 OK 79 81 - 98 - 4.4=93, 3.0/9=37...(11) * HG LEU 4 + H ILE 5 OK 74 100 - 74 - 3.7/9=32, 2.1/7313=28...(9) HB3 LEU 6 - H ILE 5 OK 19 97 - 20 - 1045/4.7=10, 10942/4.0=4...(4) HB3 LEU 38 - H ILE 5 OK 18 92 - 19 - 3.1/10999=16, 2.9/8054=1 HG12 ILE 7 - H ILE 5 OK 16 96 - 17 - 11580/5.0=5, 1045/4.7=4...(5) HG LEU 80 - H ILE 5 lone 6 92 - 6 - 1045/4.7=2 HG12 ILE 57 - H ILE 5 lone 3 94 - 3 - 1045/4.7=2 HG3 ARG 30 - H ILE 5 lone 2 100 - 2 - HG2 LYS 39 - H ILE 5 lone 1 98 - 1 - HG3 LYS 49 - H ILE 5 lone 1 97 - 1 - HG2 LYS 49 - H ILE 5 lone 1 97 - 1 - HG2 LYS 96 - H ILE 5 lone 1 90 - 1 - HG2 LYS 106 - H ILE 5 lone 1 94 - 1 - HG3 LYS 44 - H ILE 5 lone 1 84 - 1 - HB2 LEU 74 - H ILE 5 lone 1 77 - 1 - HB3 LYS 61 - H ILE 5 lone 0 61 - 1 - Peak 13 from nnoeabs.peaks (0.64, 8.77, 123.01 ppm; 4.08 A): 3 out of 7 assignments used, quality = 0.92: * QD1 LEU 4 + H ILE 5 OK 80 100 - 80 - 7313=32, 3.8/9=29...(10) QD1 ILE 5 + H ILE 5 OK 45 65 - 69 - 5.0=54, 2697/4.0=10...(8) QD1 ILE 54 + H ILE 5 OK 25 97 - 25 - 9496/3.6=10, 1033/4.6=6...(7) QD1 ILE 56 - H ILE 5 poor 7 61 - 11 - 4.9/9529=6, 2.9/14=2, 2.1/11=1 QD1 ILE 71 - H ILE 5 lone 5 87 - 6 - 9777/4.4=2, 9777/4.4=2 QG1 VAL 22 - H ILE 5 lone 4 99 - 4 - HG13 ILE 15 - H ILE 5 lone 2 98 - 2 - Peak 14 from nnoeabs.peaks (0.68, 8.77, 123.01 ppm; 4.26 A): 2 out of 7 assignments used, quality = 0.92: * QD2 LEU 4 + H ILE 5 OK 82 100 - 82 - 3.8/9=31, 2.1/7313=28...(12) QD1 LEU 55 + H ILE 5 OK 56 98 - 57 - 4.0/9057=22...(8) QG2 ILE 56 - H ILE 5 poor 10 73 - 13 - 4.0/9529=8, 2.9/13=1...(4) QD1 ILE 56 - H ILE 5 poor 8 70 - 11 - 4.9/9529=7, 2.1/11=2 QD2 LEU 114 - H ILE 5 lone 4 96 - 4 - 10939/3.9=2 QD1 ILE 116 - H ILE 5 lone 3 100 - 3 - 10939/3.9=1 QG2 ILE 97 - H ILE 5 lone 1 99 - 1 - Peak 16 from nnoeabs.peaks (4.83, 9.23, 129.32 ppm; 3.31 A): 1 out of 3 assignments used, quality = 0.86: * HA ILE 5 + H LEU 6 OK 86 100 - 86 - 3.6=80, 3.2/7317=18...(5) HA ILE 3 - H LEU 6 lone 6 97 - 6 - 3.6/9071=2, 9894/9892=2 HA ILE 54 - H LEU 6 lone 4 84 - 5 - Peak 17 from nnoeabs.peaks (1.65, 9.23, 129.32 ppm; 4.95 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 5 + H LEU 6 OK 100 100 - 100 - 4.5=100 Peak 18 from nnoeabs.peaks (0.84, 9.23, 129.32 ppm; 3.48 A): 2 out of 8 assignments used, quality = 0.82: * QG2 ILE 5 + H LEU 6 OK 69 100 - 69 - 4.4=51, 3.2/16=24...(6) HG13 ILE 5 + H LEU 6 OK 43 99 - 43 - 3.2/7317=21, 3.9/16=19...(5) QG2 ILE 57 - H LEU 6 lone 10 100 - 10 - 10672/4.7=4, 3.0/1048=2 QG2 ILE 15 - H LEU 6 lone 7 98 - 7 - 7317=3 HG13 ILE 57 - H LEU 6 lone 6 65 - 10 - 2.1/1048=3, 10672/4.7=3...(4) QD2 LEU 82 - H LEU 6 lone 4 73 - 6 - 9977/9065=3 QD1 LEU 14 - H LEU 6 lone 4 65 - 6 - 11519/4.5=4 QG2 VAL 22 - H LEU 6 lone 2 84 - 2 - Peak 20 from nnoeabs.peaks (0.85, 9.23, 129.32 ppm; 3.48 A): 2 out of 9 assignments used, quality = 0.82: QG2 ILE 5 + H LEU 6 OK 68 99 - 69 - 4.4=51, 3.2/16=24...(5) * HG13 ILE 5 + H LEU 6 OK 43 100 - 43 - 3.2/7317=21, 3.9/16=19...(4) QG2 ILE 57 - H LEU 6 lone 10 98 - 10 - 10672/4.7=4, 3.0/1048=2 HG13 ILE 57 - H LEU 6 lone 8 84 - 10 - 2.1/1048=3, 10672/4.7=3...(4) QG2 ILE 15 - H LEU 6 lone 7 100 - 7 - 7317=3 QD1 LEU 14 - H LEU 6 lone 7 84 - 8 - 11519/4.5=5 QG2 VAL 117 - H LEU 6 lone 3 61 - 5 - 2.1/9066=1, 2.1/1048=1 QG2 VAL 22 - H LEU 6 lone 2 96 - 2 - QG2 THR 9 - H LEU 6 lone 2 70 - 3 - Peak 21 from nnoeabs.peaks (0.62, 9.23, 129.32 ppm; 4.52 A): 2 out of 7 assignments used, quality = 0.92: * QD1 ILE 5 + H LEU 6 OK 77 100 - 77 - 3.0/7317=34, 4.2/16=30...(10) QG1 VAL 78 + H LEU 6 OK 64 94 - 68 - 4.1/9892=25, 9888=14...(14) QD1 ILE 18 - H LEU 6 OK 16 90 - 18 - 2.1/1047=2, 11566/3.9=2...(8) QD1 LEU 4 - H LEU 6 OK 16 65 - 24 - 7313/4.7=10, 10728/3.6=6...(5) QD1 ILE 54 - H LEU 6 OK 13 90 - 14 - 1041/4.7=3, 4405/3.6=2...(7) HG13 ILE 15 - H LEU 6 lone 7 87 - 8 - 3.2/7317=3, ~11340=1 QG1 VAL 22 - H LEU 6 lone 3 81 - 4 - Peak 23 from nnoeabs.peaks (5.35, 8.93, 120.75 ppm; 3.14 A): 1 out of 1 assignment used, quality = 0.84: * HA LEU 6 + H ILE 7 OK 84 100 - 84 - 3.6=68, 3.9/7326=12...(12) Peak 24 from nnoeabs.peaks (1.51, 8.93, 120.75 ppm; 4.16 A): 2 out of 11 assignments used, quality = 0.98: * HB2 LEU 6 + H ILE 7 OK 94 100 - 94 - 4.6=72, 3.0/23=39...(8) HG LEU 6 + H ILE 7 OK 69 87 - 79 - 3.6/23=34, 2.1/7326=31...(7) HG2 LYS 20 - H ILE 7 lone 6 100 - 6 - 3.0/11344=1, 3.0/11344=1...(4) HG2 LYS 43 - H ILE 7 lone 5 99 - 5 - 2.9/11344=1, 2.9/11344=1 HD3 LYS 17 - H ILE 7 lone 5 94 - 5 - 1.8/11344=2 HB3 LEU 14 - H ILE 7 lone 3 92 - 3 - QB ALA 124 - H ILE 7 lone 3 99 - 3 - HG LEU 38 - H ILE 7 lone 3 84 - 3 - 3.0/1053=1 HB3 ARG 30 - H ILE 7 lone 2 98 - 2 - HG2 ARG 30 - H ILE 7 lone 1 90 - 2 - HB2 LYS 61 - H ILE 7 lone 1 94 - 1 - Peak 25 from nnoeabs.peaks (1.46, 8.93, 120.75 ppm; 3.73 A): 2 out of 14 assignments used, quality = 0.97: * HB3 LEU 6 + H ILE 7 OK 87 100 - 87 - 4.6=52, 3.0/23=34...(9) HG12 ILE 7 + H ILE 7 OK 80 100 - 80 - 5.3=35, 1.8/1054=25...(12) HG12 ILE 57 - H ILE 7 OK 38 100 - 38 - 2.1/9581=14, 4.2/9078=9...(8) HG LEU 80 - H ILE 7 OK 16 70 - 23 - ~11625=7, 2.1/1055=6...(6) HB3 LEU 38 - H ILE 7 lone 9 100 - 9 - 2482/5.0=2, 2475/5.0=1 HG3 ARG 30 - H ILE 7 lone 4 98 - 4 - HG3 LYS 20 - H ILE 7 lone 4 65 - 6 - 1.8/24=1 HG2 LYS 39 - H ILE 7 lone 3 100 - 3 - HG LEU 4 - H ILE 7 lone 3 97 - 3 - 1045/4.7=1 HG2 LYS 49 - H ILE 7 lone 3 100 - 3 - HG3 LYS 49 - H ILE 7 lone 3 100 - 3 - HG2 LYS 106 - H ILE 7 lone 3 100 - 3 - 10287/4.7=1 HG2 LYS 96 - H ILE 7 lone 1 65 - 2 - HB2 LEU 74 - H ILE 7 lone 1 96 - 1 - Peak 27 from nnoeabs.peaks (0.73, 8.93, 120.75 ppm; 3.33 A): 2 out of 11 assignments used, quality = 0.93: QG2 ILE 7 + H ILE 7 OK 76 94 - 81 - 4.0=56, 2.1/1051=19...(10) * QD2 LEU 6 + H ILE 7 OK 71 100 - 71 - 5.0=30, 3.9/23=21...(12) QD2 LEU 55 - H ILE 7 OK 22 100 - 22 - 4.6/9530=11, 11136/5.3=3...(7) QG2 VAL 78 - H ILE 7 OK 14 92 - 16 - 11291/3.9=5, 2449/3.6=3...(6) QG2 ILE 54 - H ILE 7 lone 8 90 - 9 - 11355/9530=3...(3) QD1 LEU 63 - H ILE 7 lone 7 98 - 7 - 11612=2, 11559/9086=2 HG13 ILE 18 - H ILE 7 lone 5 98 - 5 - QG1 VAL 117 - H ILE 7 lone 3 81 - 4 - 11673/5.3=2 QD2 LEU 45 - H ILE 7 lone 2 92 - 2 - QD1 LEU 45 - H ILE 7 lone 1 61 - 2 - QG2 ILE 18 - H ILE 7 lone 1 70 - 1 - Peak 28 from nnoeabs.peaks (0.71, 8.93, 120.75 ppm; 3.33 A): 4 out of 9 assignments used, quality = 0.88: * QD1 LEU 6 + H ILE 7 OK 71 100 - 71 - 5.0=30, 3.9/23=21...(9) QD2 LEU 81 + H ILE 7 OK 35 94 - 37 - 9955/3.0=7, ~9954=5...(11) QD1 ILE 57 + H ILE 7 OK 31 96 - 32 - 9581=10, 4.2/9078=7...(9) QG2 VAL 78 + H ILE 7 OK 12 92 - 13 - 11291/3.9=5, 2450/3.6=3...(4) QG1 VAL 117 - H ILE 7 lone 5 98 - 5 - 11673/5.3=3 QD2 LEU 63 - H ILE 7 lone 3 98 - 3 - 2.1/11612=2 QD2 LEU 45 - H ILE 7 lone 2 92 - 2 - QG2 ILE 18 - H ILE 7 lone 2 100 - 2 - HG13 ILE 18 - H ILE 7 lone 2 81 - 2 - Peak 29 from nnoeabs.peaks (8.93, 8.63, 125.54 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 7 + H ASN 8 OK 100 100 - 100 - 4.7=100 Peak 30 from nnoeabs.peaks (5.18, 8.63, 125.54 ppm; 3.13 A): 1 out of 2 assignments used, quality = 0.77: * HA ILE 7 + H ASN 8 OK 77 100 - 78 - 3.6=68, 3.2/32=15...(6) HA VAL 78 - H ASN 8 lone 3 77 - 4 - 9951/11384=2 Peak 31 from nnoeabs.peaks (1.89, 8.63, 125.54 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 7 + H ASN 8 OK 100 100 - 100 - 4.5=100 Peak 32 from nnoeabs.peaks (0.74, 8.63, 125.54 ppm; 3.38 A): 2 out of 12 assignments used, quality = 0.85: * QG2 ILE 7 + H ASN 8 OK 83 100 - 83 - 3.8=68, 3.2/30=25...(6) QD2 LEU 6 + H ASN 8 OK 15 94 - 16 - 11612/4.7=10, 3.1/33=2...(4) QG2 VAL 32 - H ASN 8 lone 5 61 - 8 - 10928/4.5=4, 2492/3.6=2 QG2 VAL 78 - H ASN 8 lone 4 61 - 7 - 11291/4.5=3, 3.2/30=1 QD2 LEU 55 - H ASN 8 lone 4 96 - 4 - 1052/4.7=2 QD1 LEU 63 - H ASN 8 lone 3 100 - 3 - 9100/3.0=1, 11612/4.7=1 QG2 ILE 54 - H ASN 8 lone 2 100 - 2 - HG13 ILE 18 - H ASN 8 lone 1 77 - 2 - QD1 LEU 45 - H ASN 8 lone 1 92 - 1 - QD2 LEU 45 - H ASN 8 lone 1 61 - 1 - QG1 VAL 107 - H ASN 8 lone 1 61 - 1 - QD2 LEU 14 - H ASN 8 lone 0 61 - 1 - Peak 33 from nnoeabs.peaks (1.46, 8.63, 125.54 ppm; 4.96 A): 3 out of 15 assignments used, quality = 0.88: * HG12 ILE 7 + H ASN 8 OK 80 100 - 80 - 3.8/30=40, 3.2/32=31...(6) HB3 LEU 6 + H ASN 8 OK 26 100 - 26 - 25/4.7=11, 3.1/32=6...(6) HG12 ILE 57 + H ASN 8 OK 20 100 - 20 - 4.2/9094=10, 25/4.7=5...(4) HB3 LEU 38 - H ASN 8 lone 7 100 - 7 - 11526/3.8=2, 11232/4.5=1 HG LEU 80 - H ASN 8 lone 5 65 - 8 - 11387/11384=3, 25/4.7=2 HB2 LEU 74 - H ASN 8 lone 5 97 - 5 - 3.1/9098=1, 3.1/9098=1 HG LEU 4 - H ASN 8 lone 4 96 - 4 - 5.3/10746=2 HG2 LYS 106 - H ASN 8 lone 3 100 - 3 - HG2 LYS 39 - H ASN 8 lone 3 100 - 3 - HG3 ARG 30 - H ASN 8 lone 2 97 - 2 - HG2 LYS 49 - H ASN 8 lone 2 100 - 2 - HG3 LYS 49 - H ASN 8 lone 2 100 - 2 - HG3 LYS 20 - H ASN 8 lone 1 70 - 2 - HG3 LYS 73 - H ASN 8 lone 1 61 - 1 - HG2 LYS 96 - H ASN 8 lone 1 61 - 1 - Peak 36 from nnoeabs.peaks (8.63, 8.04, 118.49 ppm; 4.98 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 8 + H THR 9 OK 100 100 - 100 - 4.6=100 Peak 37 from nnoeabs.peaks (5.90, 8.04, 118.49 ppm; 2.92 A): 2 out of 2 assignments used, quality = 0.75: * HA ASN 8 + H THR 9 OK 70 100 - 70 - 3.6=55, 3.0/39=7...(8) HA ASN 8 + H LYS 65 OK 18 79 - 22 - 7333=7, 11688/4.7=6...(6) Peak 38 from nnoeabs.peaks (2.89, 8.04, 118.49 ppm; 4.34 A): 1 out of 22 assignments used, quality = 0.96: * HB2 ASN 8 + H THR 9 OK 96 100 - 96 - 4.6=83, 3.0/37=34...(8) HB2 ASN 8 - H LYS 65 OK 34 79 - 43 - 10448/4.7=10...(6) HE3 LYS 115 - H LYS 65 OK 16 44 - 37 - 3.7/4823=6, 3.0/4843=4...(18) HE2 LYS 115 - H LYS 65 OK 16 44 - 37 - 3.7/4823=6, 3.0/4843=4...(18) HB2 ASN 10 - H THR 9 poor 9 77 - 12 - 4.0/1858=10 HB3 ASN 88 - H THR 9 lone 5 81 - 7 - 4.2/1932=2, 4.0/2129=2 HB3 ASN 88 - H LYS 65 lone 2 56 - 4 - 4.2/1932=2, 4.0/2129=1 HE3 LYS 17 - H THR 9 lone 2 94 - 2 - HE3 LYS 17 - H LYS 65 lone 1 69 - 2 - HE2 LYS 115 - H THR 9 lone 1 65 - 2 - HE3 LYS 115 - H THR 9 lone 1 65 - 2 - HB2 ASN 33 - H THR 9 lone 1 61 - 2 - HE3 LYS 16 - H LYS 65 lone 1 41 - 2 - HE2 LYS 16 - H LYS 65 lone 1 41 - 2 - HE3 LYS 2 - H THR 9 lone 1 92 - 1 - HB2 ASP 34 - H THR 9 lone 1 65 - 1 - HE3 LYS 2 - H LYS 65 lone 1 67 - 1 - HB2 ASP 34 - H LYS 65 lone 1 44 - 1 - HB2 ASN 33 - H LYS 65 lone 1 41 - 1 - HB2 ASN 10 - H LYS 65 lone 1 54 - 1 - HE3 LYS 16 - H THR 9 lone 0 61 - 1 - HE2 LYS 16 - H THR 9 lone 0 61 - 1 - Peak 39 from nnoeabs.peaks (2.27, 8.04, 118.49 ppm; 4.19 A): 2 out of 20 assignments used, quality = 0.95: * HB3 ASN 8 + H THR 9 OK 91 100 - 91 - 4.6=75, 3.0/37=33...(8) HB3 ASN 8 + H LYS 65 OK 37 79 - 47 - 11393/4.7=14...(7) HG2 GLU 89 - H THR 9 lone 8 92 - 8 - 7755=2, 5.2/1932=2...(4) HG2 GLU 69 - H LYS 65 lone 7 79 - 9 - 3.0/11541=2, 11393/4.7=2...(4) HG2 GLU 89 - H LYS 65 poor 7 67 - 11 - 1.8/7756=2, 7755=2...(4) HG3 GLU 111 - H LYS 65 lone 4 77 - 5 - 11393/4.7=2, 7755=1 HG3 GLU 92 - H LYS 65 lone 3 71 - 5 - HB2 GLU 37 - H LYS 65 lone 3 77 - 4 - 9357/4.6=1 HG3 GLU 92 - H THR 9 lone 2 96 - 2 - HB2 GLU 37 - H THR 9 lone 2 99 - 2 - HG2 GLU 111 - H LYS 65 lone 2 56 - 3 - HG3 GLU 111 - H THR 9 lone 2 99 - 2 - HB2 MET 121 - H THR 9 lone 2 70 - 2 - HB2 MET 121 - H LYS 65 lone 1 48 - 3 - HG3 GLU 91 - H LYS 65 lone 1 56 - 2 - 5.2/566=1 HG2 GLU 69 - H THR 9 lone 1 100 - 1 - HG3 GLU 91 - H THR 9 lone 1 81 - 1 - HG2 GLU 111 - H THR 9 lone 1 81 - 1 - HG2 GLU 103 - H LYS 65 lone 1 48 - 2 - HG2 GLU 103 - H THR 9 lone 1 70 - 1 - Peak 40 from nnoeabs.peaks (7.37, 8.04, 118.49 ppm; 4.12 A): 3 out of 4 assignments used, quality = 0.80: * HD21 ASN 8 + H THR 9 OK 67 100 - 67 - 823/3.6=28, 9093=24...(5) HD21 ASN 8 + H LYS 65 OK 29 79 - 36 - 9093=11, 1.7/41=9...(6) H TYR 76 + H LYS 65 OK 15 78 - 19 - 9833/4.7=8, 9833/4.7=6 H TYR 76 - H THR 9 lone 2 100 - 2 - 2532/3.6=1 Peak 41 from nnoeabs.peaks (6.25, 8.04, 118.49 ppm; 4.88 A): 2 out of 2 assignments used, quality = 0.85: * HD22 ASN 8 + H THR 9 OK 76 100 - 76 - 829/3.6=34, 1.7/40=28...(5) HD22 ASN 8 + H LYS 65 OK 37 79 - 47 - 10747=14, 1.7/9093=12...(7) Peak 42 from nnoeabs.peaks (8.04, 8.44, 123.27 ppm; 6.18 A): 1 out of 1 assignment used, quality = 1.00: * H THR 9 + H ASN 10 OK 100 100 - 100 - 4.6=100 Peak 43 from nnoeabs.peaks (4.74, 8.44, 123.27 ppm; 3.12 A): 1 out of 4 assignments used, quality = 0.78: * HA THR 9 + H ASN 10 OK 78 100 - 78 - 3.6=67, 4.1/9128=14...(6) HA ARG 30 - H ASN 10 lone 1 100 - 1 - HA ASP 109 - H ASN 10 lone 1 100 - 1 - HA PHE 51 - H ASN 10 lone 0 61 - 1 - Peak 44 from nnoeabs.peaks (4.32, 8.44, 123.27 ppm; 4.42 A): 1 out of 6 assignments used, quality = 0.97: * HB THR 9 + H ASN 10 OK 97 100 - 97 - 4.7=86, 3.0/43=41...(7) HA GLN 100 - H ASN 10 lone 3 90 - 3 - 3.0/9130=2 HA LYS 49 - H ASN 10 lone 2 100 - 2 - HA GLN 85 - H ASN 10 lone 1 84 - 1 - HA PHE 93 - H ASN 10 lone 1 61 - 1 - HA GLU 98 - H ASN 10 lone 1 77 - 1 - Peak 45 from nnoeabs.peaks (0.86, 8.44, 123.27 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 9 + H ASN 10 OK 100 100 - 100 - 4.0=100 Peak 46 from nnoeabs.peaks (8.44, 8.37, 120.92 ppm; 3.13 A): 1 out of 5 assignments used, quality = 0.59: * H ASN 10 + H ASN 11 OK 59 100 - 59 - 1859=38, 4.0/9126=12...(6) H GLN 83 - H ASN 11 lone 5 100 - 5 - 9997/9141=4 H VAL 32 - H ASN 11 lone 2 100 - 2 - H ILE 3 - H ASN 11 lone 2 99 - 2 - 4.0/9142=2 H GLN 62 - H ASN 11 lone 1 98 - 1 - Peak 47 from nnoeabs.peaks (4.97, 8.37, 120.92 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 10 + H ASN 11 OK 100 100 - 100 - 3.6=100 Peak 48 from nnoeabs.peaks (2.91, 8.37, 120.92 ppm; 5.07 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 10 + H ASN 11 OK 100 100 - 100 - 4.4=100 Peak 49 from nnoeabs.peaks (2.82, 8.37, 120.92 ppm; 4.77 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 10 + H ASN 11 OK 100 100 - 100 - 4.4=100 Peak 53 from nnoeabs.peaks (4.69, 8.59, 126.31 ppm; 2.85 A): 1 out of 5 assignments used, quality = 0.51: * HA ASN 11 + H ASP 12 OK 51 100 - 51 - 3.6=51 HA ASP 34 - H ASP 12 lone 0 92 - 0 - HA LYS 53 - H ASP 12 lone 0 99 - 0 - HA ASP 86 - H ASP 12 lone 0 96 - 0 - HA ASN 59 - H ASP 12 lone 0 65 - 0 - Peak 54 from nnoeabs.peaks (3.03, 8.59, 126.31 ppm; 5.83 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 11 + H ASP 12 OK 100 100 - 100 - 4.4=100 Peak 55 from nnoeabs.peaks (2.74, 8.59, 126.31 ppm; 4.85 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 11 + H ASP 12 OK 100 100 - 100 - 4.4=100 Peak 58 from nnoeabs.peaks (8.59, 8.29, 119.33 ppm; 3.55 A): 1 out of 6 assignments used, quality = 0.64: * H ASP 12 + H GLU 13 OK 64 100 - 64 - 1861=49, 4.0/61=11...(5) H LEU 80 - H GLU 13 lone 1 77 - 1 - H THR 108 - H GLU 13 lone 1 65 - 1 - H ILE 71 - H GLU 13 lone 1 87 - 1 - H ALA 124 - H GLU 13 lone 1 77 - 1 - H LYS 94 - H GLU 13 lone 1 57 - 1 - Peak 59 from nnoeabs.peaks (4.27, 8.29, 119.33 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 12 + H GLU 13 OK 100 100 - 100 - 3.6=100 Peak 60 from nnoeabs.peaks (2.64, 8.29, 119.33 ppm; 3.41 A): 2 out of 5 assignments used, quality = 0.87: HB3 ASP 12 + H GLU 13 OK 64 100 - 64 - 4.6=40, 4.0/1861=19...(6) * HB2 ASP 12 + H GLU 13 OK 64 100 - 64 - 4.6=40, 4.0/1861=19...(6) HG3 MET 121 - H GLU 13 lone 2 70 - 3 - 9157/4.6=1 HG2 MET 42 - H GLU 13 lone 0 81 - 1 - HE2 LYS 53 - H GLU 13 lone 0 81 - 0 - Peak 61 from nnoeabs.peaks (2.64, 8.29, 119.33 ppm; 3.41 A): 2 out of 5 assignments used, quality = 0.87: * HB3 ASP 12 + H GLU 13 OK 64 100 - 64 - 4.6=40, 4.0/1861=19...(6) HB2 ASP 12 + H GLU 13 OK 64 100 - 64 - 4.6=40, 4.0/1861=19...(6) HG3 MET 121 - H GLU 13 lone 2 70 - 3 - 9157/4.6=1 HG2 MET 42 - H GLU 13 lone 0 81 - 1 - HE2 LYS 53 - H GLU 13 lone 0 81 - 0 - Peak 62 from nnoeabs.peaks (8.29, 7.58, 121.68 ppm; 3.14 A): 1 out of 2 assignments used, quality = 0.69: * H GLU 13 + H LEU 14 OK 69 100 - 69 - 1862=36, 4.0/65=14...(11) H LYS 77 - H LEU 14 lone 5 100 - 5 - 11313/3.0=1, 2618/4.4=1 Peak 63 from nnoeabs.peaks (4.03, 7.58, 121.68 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 13 + H LEU 14 OK 100 100 - 100 - 3.6=100 Peak 64 from nnoeabs.peaks (2.06, 7.58, 121.68 ppm; 3.81 A): 2 out of 14 assignments used, quality = 0.90: * HB2 GLU 13 + H LEU 14 OK 89 100 - 89 - 4.4=63, 1.8/65=35...(6) HB2 GLU 92 + H LEU 14 OK 11 90 - 13 - 3.0/67=4, 1084/4.6=3...(5) HB3 MET 121 - H LEU 14 lone 8 84 - 10 - 4.3/1090=3, 3.0/9162=3...(4) HB3 GLU 98 - H LEU 14 lone 4 90 - 4 - 3.0/66=1, 1.8/65=1 HB2 LYS 94 - H LEU 14 lone 4 98 - 4 - HB3 GLU 112 - H LEU 14 lone 3 61 - 5 - 4.0/1863=3 HB3 MET 67 - H LEU 14 lone 2 77 - 2 - 9708/4.3=1 HB3 GLU 91 - H LEU 14 lone 2 99 - 2 - HG2 GLU 119 - H LEU 14 lone 2 87 - 2 - HB VAL 117 - H LEU 14 lone 2 70 - 2 - HB3 PHE 79 - H LEU 14 lone 1 90 - 2 - HB3 GLN 100 - H LEU 14 lone 1 73 - 2 - HB2 GLN 28 - H LEU 14 lone 1 100 - 1 - HB2 GLU 47 - H LEU 14 lone 1 96 - 1 - Peak 65 from nnoeabs.peaks (2.16, 7.58, 121.68 ppm; 3.65 A): 1 out of 6 assignments used, quality = 0.84: * HB3 GLU 13 + H LEU 14 OK 84 100 - 84 - 4.4=55, 1.8/64=23...(6) HB3 GLU 37 - H LEU 14 lone 4 77 - 6 - 3.0/9158=2, 9365/4.3=2 HB2 GLU 98 - H LEU 14 lone 3 61 - 4 - 1.8/64=1, 3.0/66=1 HB3 GLN 62 - H LEU 14 lone 1 97 - 1 - HB2 GLN 62 - H LEU 14 lone 1 97 - 1 - HB2 GLN 85 - H LEU 14 lone 1 84 - 1 - Peak 66 from nnoeabs.peaks (2.36, 7.58, 121.68 ppm; 4.84 A): 1 out of 5 assignments used, quality = 0.90: * HG2 GLU 13 + H LEU 14 OK 90 100 - 90 - 3.0/65=38, 7351=34...(7) HG2 GLU 98 - H LEU 14 lone 6 73 - 8 - 1086/4.6=2, 2616/4.4=1...(5) HB3 TYR 27 - H LEU 14 lone 4 90 - 5 - 10868/9160=1 HG3 GLN 100 - H LEU 14 lone 3 92 - 3 - HB3 PHE 120 - H LEU 14 lone 3 65 - 5 - Peak 67 from nnoeabs.peaks (2.31, 7.58, 121.68 ppm; 4.78 A): 2 out of 8 assignments used, quality = 0.89: * HG3 GLU 13 + H LEU 14 OK 86 100 - 86 - 3.0/65=38, 1.8/66=33...(7) HG2 GLU 92 + H LEU 14 OK 23 98 - 23 - 7352=6, 1087/4.6=5...(6) HG3 GLU 89 - H LEU 14 lone 9 100 - 9 - 7352=3, 1087/4.6=2...(4) HG3 GLU 48 - H LEU 14 lone 3 94 - 4 - HG3 GLU 103 - H LEU 14 lone 2 84 - 2 - HG2 GLU 87 - H LEU 14 lone 1 77 - 2 - HG3 GLU 87 - H LEU 14 lone 1 77 - 2 - HG2 GLU 47 - H LEU 14 lone 1 77 - 2 - Peak 68 from nnoeabs.peaks (7.58, 8.24, 119.48 ppm; 3.14 A): 2 out of 3 assignments used, quality = 0.73: * H LEU 14 + H ILE 15 OK 66 100 - 66 - 1863=37, 4.0/71=11...(12) H LYS 17 + H ILE 15 OK 23 98 - 23 - 82/4.6=11, 1987=5...(6) HE21 GLN 25 - H ILE 15 lone 1 81 - 1 - Peak 69 from nnoeabs.peaks (3.98, 8.24, 119.48 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 14 + H ILE 15 OK 100 100 - 100 - 3.6=100 Peak 70 from nnoeabs.peaks (1.82, 8.24, 119.48 ppm; 3.78 A): 3 out of 11 assignments used, quality = 0.93: * HB2 LEU 14 + H ILE 15 OK 88 100 - 88 - 4.6=55, 1.8/71=27...(12) HB ILE 57 + H ILE 15 OK 27 100 - 27 - ~9559=7, ~11687=6...(6) HB ILE 18 + H ILE 15 OK 26 100 - 26 - 7985/2.9=11, ~10773=6...(5) QE MET 121 - H ILE 15 OK 20 97 - 21 - 10585/3.6=10, 1090/4.6=2...(6) HG12 ILE 5 - H ILE 15 OK 13 73 - 17 - 2.1/1100=6, 1.8/1098=3...(7) HB3 LYS 19 - H ILE 15 lone 2 90 - 3 - 7984/2.9=1 HB3 ARG 105 - H ILE 15 lone 1 97 - 1 - HB ILE 3 - H ILE 15 lone 1 70 - 2 - HG2 ARG 105 - H ILE 15 lone 1 65 - 1 - HB ILE 97 - H ILE 15 lone 1 77 - 1 - HB3 LYS 77 - H ILE 15 lone 0 65 - 1 - Peak 71 from nnoeabs.peaks (1.50, 8.24, 119.48 ppm; 3.66 A): 2 out of 12 assignments used, quality = 0.84: * HB3 LEU 14 + H ILE 15 OK 82 100 - 82 - 4.6=50, 4.0/1863=20...(10) HD3 LYS 17 + H ILE 15 OK 13 61 - 21 - 6.3/1987=5, 1091/4.6=4...(7) QB ALA 124 - H ILE 15 lone 7 98 - 7 - 10619/4.1=2, 10620/5.0=2 HG2 LYS 20 - H ILE 15 lone 4 96 - 4 - 11542/3.6=2, 1091/4.6=1 HB3 LEU 45 - H ILE 15 lone 3 87 - 4 - HB2 LEU 6 - H ILE 15 lone 2 92 - 2 - HG2 LYS 43 - H ILE 15 lone 2 77 - 2 - HG3 ARG 118 - H ILE 15 lone 1 77 - 1 - HG2 ARG 30 - H ILE 15 lone 1 100 - 1 - HD2 LYS 53 - H ILE 15 lone 1 65 - 1 - HB3 ARG 30 - H ILE 15 lone 0 73 - 1 - HB2 LYS 61 - H ILE 15 lone 0 61 - 0 - Peak 72 from nnoeabs.peaks (1.38, 8.24, 119.48 ppm; 4.35 A): 3 out of 7 assignments used, quality = 0.85: * HG LEU 14 + H ILE 15 OK 80 100 - 80 - 3.0/71=26, 2.1/7357=24...(10) HG3 LYS 16 + H ILE 15 OK 16 65 - 25 - 5.0/1864=15, 1092/4.6=5...(4) HB3 LEU 114 + H ILE 15 OK 13 61 - 21 - 1.8/1099=6, 3.9/2190=5...(7) HG2 LYS 40 - H ILE 15 lone 4 100 - 4 - 1107/4.6=1 HG3 LYS 43 - H ILE 15 lone 3 96 - 4 - HG2 LYS 94 - H ILE 15 lone 2 94 - 2 - HB3 LEU 68 - H ILE 15 lone 2 100 - 2 - Peak 73 from nnoeabs.peaks (0.86, 8.24, 119.48 ppm; 3.18 A): 3 out of 11 assignments used, quality = 0.94: QG2 ILE 15 + H ILE 15 OK 71 87 - 82 - 4.1=48, 2.1/1097=20...(12) * QD1 LEU 14 + H ILE 15 OK 66 100 - 66 - 3.1/71=14, 4.3/1863=13...(14) QG2 THR 9 + H ILE 15 OK 40 99 - 40 - 9125=13, 11097/2.9=10...(10) HG13 ILE 57 - H ILE 15 OK 20 100 - 20 - ~9559=7, ~10773=4...(6) HG13 ILE 5 - H ILE 15 OK 12 84 - 15 - 2.1/1100=4, 1.8/70=2...(5) QG2 ILE 57 - H ILE 15 poor 10 61 - 16 - ~9559=5, 2.1/70=4...(5) QG2 ILE 5 - H ILE 15 poor 8 65 - 12 - 3.0/1100=4, 3.2/70=1...(4) QG2 VAL 117 - H ILE 15 lone 7 98 - 7 - QG2 VAL 22 - H ILE 15 lone 6 99 - 6 - 2.1/1100=2, 2641/3.6=1 QG2 VAL 107 - H ILE 15 lone 4 94 - 4 - QG1 VAL 32 - H ILE 15 lone 2 96 - 2 - Peak 74 from nnoeabs.peaks (0.76, 8.24, 119.48 ppm; 3.31 A): 2 out of 11 assignments used, quality = 0.92: QD1 ILE 15 + H ILE 15 OK 78 100 - 78 - 5.0=28, 2.1/1099=23...(10) * QD2 LEU 14 + H ILE 15 OK 66 100 - 66 - 3.1/71=16, 4.3/1863=14...(13) QD1 ILE 7 - H ILE 15 lone 5 99 - 5 - 11584/9125=1, 2684/2.9=1 QD1 LEU 45 - H ILE 15 lone 4 94 - 4 - QG1 VAL 107 - H ILE 15 lone 4 100 - 4 - QG2 ILE 54 - H ILE 15 lone 3 70 - 5 - 3.1/1100=2 QG2 VAL 32 - H ILE 15 lone 2 100 - 2 - QD1 LEU 82 - H ILE 15 lone 2 77 - 2 - QG2 ILE 7 - H ILE 15 lone 1 61 - 2 - QD1 LEU 80 - H ILE 15 lone 1 87 - 1 - QD2 LEU 80 - H ILE 15 lone 1 84 - 1 - Peak 75 from nnoeabs.peaks (8.24, 7.60, 117.60 ppm; 3.62 A): 2 out of 6 assignments used, quality = 0.81: * H ILE 15 + H LYS 16 OK 74 100 - 74 - 4.6=49, 1097/4.5=13...(10) H ILE 15 + H LEU 74 OK 28 97 - 29 - 1864=11, 3.8/7360=5...(8) H GLU 112 - H LYS 16 lone 10 99 - 10 - 4.6/11374=3, 1987/4.6=1 H GLU 112 - H LEU 74 lone 5 96 - 6 - 4.6/11374=3 H GLU 89 - H LYS 16 lone 2 70 - 3 - H GLU 89 - H LEU 74 lone 1 64 - 2 - Peak 76 from nnoeabs.peaks (3.22, 7.60, 117.60 ppm; 4.95 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 15 + H LYS 16 OK 100 100 - 100 - 3.6=100 Peak 77 from nnoeabs.peaks (1.92, 7.60, 117.60 ppm; 2.74 A): 3 out of 44 assignments used, quality = 0.65: * HB ILE 15 + H LYS 16 OK 50 100 - 50 - 4.5=23, 2.1/78=12...(8) HB ILE 15 + H LEU 74 OK 17 97 - 17 - 7360=4, 2.9/79=3...(6) HB3 LYS 17 + H LYS 16 OK 16 97 - 16 - 4.0/82=11, 4.6/1985=2...(4) HB ILE 71 - H LEU 74 poor 9 56 - 15 - 3.0/9790=6, 2.1/1492=3...(6) HB3 LYS 17 - H LEU 74 lone 4 92 - 4 - 4.0/82=2 HB2 LEU 45 - H LEU 74 lone 2 84 - 3 - HB3 LYS 123 - H LYS 16 lone 2 100 - 2 - HB ILE 71 - H LYS 16 lone 2 61 - 3 - 3.0/9790=1 HB2 LYS 44 - H LYS 16 lone 2 99 - 2 - HB2 LYS 115 - H LYS 16 lone 2 84 - 2 - HB3 LYS 44 - H LYS 16 lone 1 94 - 1 - HG2 MET 121 - H LYS 16 lone 1 100 - 1 - HB2 LYS 44 - H LEU 74 lone 1 96 - 1 - HB2 LEU 45 - H LYS 16 lone 1 90 - 1 - HB3 LYS 44 - H LEU 74 lone 1 89 - 1 - HB2 LYS 43 - H LYS 16 lone 1 96 - 1 - HB2 GLU 128 - H LYS 16 lone 1 81 - 1 - HB2 LYS 123 - H LYS 16 lone 1 61 - 2 - HB3 LYS 115 - H LYS 16 lone 1 61 - 2 - HB3 LYS 123 - H LEU 74 lone 1 97 - 1 - HB2 GLU 128 - H LEU 74 lone 1 75 - 1 - HB2 LYS 115 - H LEU 74 lone 1 78 - 1 - HB2 LYS 43 - H LEU 74 lone 1 91 - 1 - HB3 LYS 43 - H LYS 16 lone 1 81 - 1 - HB2 LYS 49 - H LEU 74 lone 1 68 - 1 - HB2 LYS 96 - H LYS 16 lone 1 81 - 1 - HB2 LEU 81 - H LYS 16 lone 1 99 - 1 - HB2 LYS 49 - H LYS 16 lone 1 73 - 1 - HB3 LYS 43 - H LEU 74 lone 1 75 - 1 - HB2 ARG 95 - H LYS 16 lone 1 65 - 1 - HB2 LYS 96 - H LEU 74 lone 1 75 - 1 - HB3 LYS 115 - H LEU 74 lone 1 56 - 1 - HB2 LYS 123 - H LEU 74 lone 1 56 - 1 - HB2 LYS 39 - H LYS 16 lone 1 61 - 1 - HG2 MET 121 - H LEU 74 lone 0 97 - 0 - HB2 LYS 39 - H LEU 74 lone 0 56 - 1 - HB3 LYS 65 - H LYS 16 lone 0 65 - 1 - HB2 LEU 81 - H LEU 74 lone 0 96 - 0 - HB2 ARG 95 - H LEU 74 lone 0 60 - 1 - HB3 LYS 65 - H LEU 74 lone 0 60 - 1 - HB2 LYS 65 - H LYS 16 lone 0 61 - 1 - HB2 LYS 65 - H LEU 74 lone 0 56 - 1 - HB2 LEU 127 - H LYS 16 lone 0 65 - 0 - HB2 LEU 127 - H LEU 74 lone 0 60 - 0 - Peak 78 from nnoeabs.peaks (0.85, 7.60, 117.60 ppm; 2.97 A): 3 out of 18 assignments used, quality = 0.72: * QG2 ILE 15 + H LYS 16 OK 61 100 - 61 - 4.1=37, 2.1/77=13...(7) QG2 ILE 15 + H LEU 74 OK 16 97 - 16 - 2.1/7360=4, 3.2/79=4...(5) QD1 LEU 14 + H LYS 16 OK 15 87 - 17 - 7357/4.6=5, 4.3/1865=3...(5) QG2 THR 9 - H LYS 16 poor 9 73 - 12 - 11097/3.6=5, 9125/4.6=5 QG2 ILE 57 - H LYS 16 lone 6 97 - 6 - 11687/3.6=3 HG13 ILE 5 - H LYS 16 lone 5 100 - 5 - QG2 ILE 5 - H LYS 16 lone 4 98 - 4 - QD1 LEU 14 - H LEU 74 lone 3 81 - 4 - HG13 ILE 57 - H LYS 16 lone 3 87 - 3 - 11535/4.5=1 QG2 VAL 22 - H LYS 16 lone 2 97 - 2 - QG2 THR 9 - H LEU 74 lone 1 68 - 2 - HG13 ILE 5 - H LEU 74 lone 1 97 - 1 - QG2 VAL 117 - H LYS 16 lone 1 65 - 2 - QG2 ILE 5 - H LEU 74 lone 1 94 - 1 - QG2 ILE 57 - H LEU 74 lone 1 92 - 1 - HG13 ILE 57 - H LEU 74 lone 1 81 - 1 - QG2 VAL 22 - H LEU 74 lone 1 92 - 1 - QG2 VAL 117 - H LEU 74 lone 0 60 - 1 - Peak 79 from nnoeabs.peaks (1.73, 7.60, 117.60 ppm; 3.36 A): 3 out of 16 assignments used, quality = 0.61: * HG12 ILE 15 + H LYS 16 OK 46 100 - 46 - 2.9/7360=14, 3.2/78=13...(7) HG12 ILE 15 + H LEU 74 OK 19 97 - 20 - 2.9/7360=5, 2.1/7364=4...(6) HB2 LEU 114 + H LYS 16 OK 10 94 - 11 - 1.8/1107=3, 1099/4.6=2...(5) HB3 LEU 82 - H LYS 16 lone 5 92 - 6 - 1.8/1106=2, 3.0/456=1 HB2 LEU 114 - H LEU 74 lone 5 89 - 5 - 1.8/1107=1 HB3 LEU 82 - H LEU 74 lone 2 86 - 2 - HB3 LEU 90 - H LYS 16 lone 1 99 - 1 - HB2 LYS 106 - H LYS 16 lone 1 92 - 1 - HG2 ARG 118 - H LYS 16 lone 1 100 - 1 - HB3 LYS 106 - H LYS 16 lone 1 87 - 1 - HG2 ARG 118 - H LEU 74 lone 1 96 - 1 - HB3 LYS 94 - H LYS 16 lone 1 94 - 1 - HB2 LYS 106 - H LEU 74 lone 1 86 - 1 - HB3 LYS 106 - H LEU 74 lone 1 81 - 1 - HB3 LEU 90 - H LEU 74 lone 1 96 - 1 - HB3 LYS 94 - H LEU 74 lone 0 89 - 0 - Peak 80 from nnoeabs.peaks (0.64, 7.60, 117.60 ppm; 4.99 A): 3 out of 12 assignments used, quality = 0.92: * HG13 ILE 15 + H LYS 16 OK 83 100 - 83 - 2683/3.6=29, 2.9/7360=27...(8) HG13 ILE 15 + H LEU 74 OK 38 97 - 39 - 2.1/7364=11, 2.9/7360=10...(6) QD1 ILE 71 + H LEU 74 OK 25 60 - 41 - 4.2/9790=20, 3.3/1492=6...(10) QD1 ILE 5 - H LYS 16 OK 18 87 - 21 - 1100/4.6=5, 2683/3.6=5...(5) QD1 LEU 4 - H LYS 16 OK 15 98 - 15 - 10736/4.0=3...(5) QD1 LEU 4 - H LEU 74 OK 13 94 - 13 - 9037/10774=8, 9834/9827=2 QD1 ILE 54 - H LYS 16 OK 11 100 - 11 - 1100/4.6=3, 2683/3.6=3 QG1 VAL 22 - H LYS 16 lone 9 100 - 9 - 1100/4.6=3, 2683/3.6=3 QD1 ILE 71 - H LYS 16 poor 7 65 - 11 - 4.2/9790=4, 3.3/1492=1 QD1 ILE 5 - H LEU 74 lone 3 81 - 4 - QD1 ILE 54 - H LEU 74 lone 3 97 - 3 - QG1 VAL 22 - H LEU 74 lone 2 97 - 2 - Peak 81 from nnoeabs.peaks (0.76, 7.60, 117.60 ppm; 4.05 A): 3 out of 22 assignments used, quality = 0.90: * QD1 ILE 15 + H LYS 16 OK 75 100 - 75 - 2.1/79=20, 2716/4.1=19...(9) QD2 LEU 14 + H LYS 16 OK 37 100 - 37 - 7358/4.6=12, 2684/3.6=9...(7) QD1 ILE 15 + H LEU 74 OK 34 97 - 35 - 2.1/79=8, 7364=8...(8) QG2 VAL 32 - H LYS 16 lone 8 100 - 8 - 2.1/9278=1, 3.2/9277=1 QD1 LEU 45 - H LEU 74 lone 8 86 - 9 - 9446/10774=3, 3.1/457=1 QD1 LEU 82 - H LYS 16 lone 7 81 - 9 - 3.1/79=2, 2.1/456=2, 3.1/1106=2 QG2 VAL 32 - H LEU 74 lone 6 97 - 6 - 3.2/9277=1 QD2 LEU 14 - H LEU 74 lone 6 97 - 6 - 7358/1864=2, 4.3/1865=1 QD1 LEU 45 - H LYS 16 lone 5 92 - 5 - 9446/10774=1 QD1 ILE 7 - H LYS 16 lone 5 100 - 5 - 2684/3.6=1 QG1 VAL 107 - H LYS 16 lone 4 100 - 4 - QG2 ILE 54 - H LYS 16 lone 3 65 - 4 - 3.1/80=1 QD1 LEU 82 - H LEU 74 lone 3 75 - 4 - QD2 LEU 64 - H LYS 16 lone 3 61 - 4 - QD2 LEU 80 - H LYS 16 lone 2 87 - 3 - QD2 LEU 64 - H LEU 74 lone 2 56 - 3 - QD2 LEU 80 - H LEU 74 lone 2 81 - 2 - QD1 ILE 7 - H LEU 74 lone 2 96 - 2 - QG1 VAL 107 - H LEU 74 lone 2 97 - 2 - QD1 LEU 80 - H LYS 16 lone 2 90 - 2 - QG2 ILE 54 - H LEU 74 lone 1 60 - 1 - QD1 LEU 80 - H LEU 74 lone 1 84 - 1 - Peak 82 from nnoeabs.peaks (7.60, 7.58, 118.83 ppm; 2.50 A): 2 out of 7 assignments used, quality = 0.50: * H LYS 16 + H LYS 17 OK 45 100 - 45 - 1865=30, 5.0/7368=4...(9) H LEU 74 + H LYS 17 OK 10 99 - 10 - 1865=7 H LYS 115 - H LYS 17 lone 4 84 - 5 - 4.3/87=1 H ASP 34 - H LYS 17 lone 0 87 - 1 - HE ARG 105 - H LYS 17 lone 0 99 - 0 - H GLN 100 - H LYS 17 lone 0 61 - 0 - HE21 GLN 85 - H LYS 17 lone 0 57 - 0 - Peak 83 from nnoeabs.peaks (3.84, 7.58, 118.83 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 16 + H LYS 17 OK 100 100 - 100 - 3.6=100 Peak 84 from nnoeabs.peaks (1.88, 7.58, 118.83 ppm; 3.28 A): 3 out of 16 assignments used, quality = 0.94: * HB2 LYS 16 + H LYS 17 OK 71 100 - 71 - 4.7=35, 4.0/82=16...(12) HB3 LYS 16 + H LYS 17 OK 71 100 - 71 - 4.7=35, 4.0/82=16...(12) HB3 LYS 20 + H LYS 17 OK 33 92 - 36 - 7998/3.0=6, 7367=5...(13) HB2 LYS 20 - H LYS 17 OK 33 92 - 36 - 7998/3.0=6, 7367=5...(13) HB3 LYS 73 - H LYS 17 lone 7 81 - 8 - 4.3/82=3, 7367=1 HB2 LYS 73 - H LYS 17 lone 6 77 - 8 - 4.3/82=3 QE MET 42 - H LYS 17 lone 2 81 - 3 - 9425/3.6=1 QE MET 67 - H LYS 17 lone 2 100 - 2 - HB2 LEU 63 - H LYS 17 lone 2 94 - 2 - HG2 ARG 95 - H LYS 17 lone 1 99 - 1 - HG LEU 45 - H LYS 17 lone 1 100 - 1 - HB2 ARG 95 - H LYS 17 lone 1 70 - 1 - HB ILE 71 - H LYS 17 lone 1 73 - 1 - HB ILE 7 - H LYS 17 lone 1 87 - 1 - HB2 LYS 49 - H LYS 17 lone 0 61 - 1 - HB3 ARG 118 - H LYS 17 lone 0 94 - 0 - Peak 85 from nnoeabs.peaks (1.88, 7.58, 118.83 ppm; 3.28 A): 3 out of 16 assignments used, quality = 0.95: HB2 LYS 16 + H LYS 17 OK 71 100 - 71 - 4.7=35, 4.0/82=16...(12) * HB3 LYS 16 + H LYS 17 OK 71 100 - 71 - 4.7=35, 4.0/82=16...(12) HB3 LYS 20 + H LYS 17 OK 34 94 - 36 - 7996/3.0=6, 7367=5...(13) HB2 LYS 20 - H LYS 17 OK 34 94 - 36 - 7996/3.0=6, 7367=5...(13) HB3 LYS 73 - H LYS 17 lone 7 84 - 8 - 4.3/82=3, 7367=1 HB2 LYS 73 - H LYS 17 lone 7 81 - 8 - 4.3/82=3 QE MET 42 - H LYS 17 lone 2 77 - 3 - 9425/3.6=1 QE MET 67 - H LYS 17 lone 2 100 - 2 - HB2 LEU 63 - H LYS 17 lone 2 92 - 2 - HG2 ARG 95 - H LYS 17 lone 1 99 - 1 - HB2 ARG 95 - H LYS 17 lone 1 73 - 1 - HG LEU 45 - H LYS 17 lone 1 100 - 1 - HB ILE 71 - H LYS 17 lone 1 77 - 1 - HB ILE 7 - H LYS 17 lone 1 90 - 1 - HB2 LYS 49 - H LYS 17 lone 0 65 - 1 - HB3 ARG 118 - H LYS 17 lone 0 92 - 0 - Peak 86 from nnoeabs.peaks (1.63, 7.58, 118.83 ppm; 4.32 A): 2 out of 12 assignments used, quality = 0.90: * HG2 LYS 16 + H LYS 17 OK 83 100 - 83 - 7368=34, 1.8/7369=28...(14) HG3 LYS 40 + H LYS 17 OK 37 97 - 39 - 4.0/1989=8, 2.7/1114=7...(9) HB2 LEU 82 - H LYS 17 lone 10 98 - 10 - 9964/4.9=5, 1106/4.6=1 HB ILE 116 - H LYS 17 lone 8 100 - 8 - 10486/4.9=2, ~10476=2 HB3 LEU 64 - H LYS 17 lone 3 100 - 3 - 2724/3.6=1 HG LEU 63 - H LYS 17 lone 3 97 - 3 - HB ILE 5 - H LYS 17 lone 2 61 - 4 - ~9063=1 HD2 LYS 77 - H LYS 17 lone 2 100 - 2 - HD3 LYS 77 - H LYS 17 lone 2 99 - 2 - HG LEU 64 - H LYS 17 lone 2 77 - 2 - HG LEU 90 - H LYS 17 lone 1 87 - 1 - HB3 LEU 127 - H LYS 17 lone 1 81 - 1 - Peak 87 from nnoeabs.peaks (1.40, 7.58, 118.83 ppm; 4.28 A): 5 out of 7 assignments used, quality = 0.95: * HG3 LYS 16 + H LYS 17 OK 86 100 - 86 - 7369=33, 1.8/7368=30...(15) HB3 LEU 114 + H LYS 17 OK 36 100 - 36 - 10777/4.6=9, 8241/3.0=6...(11) HG2 LYS 40 + H LYS 17 OK 24 70 - 35 - 1.8/86=9, 4.0/1989=8...(7) HG LEU 14 + H LYS 17 OK 18 65 - 27 - 2.1/2664=13, ~2665=7...(7) QB ALA 113 + H LYS 17 OK 12 81 - 14 - 10777/4.6=5, 10428/3.0=3 HG3 LYS 106 - H LYS 17 lone 2 98 - 2 - HB3 LEU 68 - H LYS 17 lone 2 77 - 2 - Peak 88 from nnoeabs.peaks (1.69, 7.58, 118.83 ppm; 4.14 A): 3 out of 23 assignments used, quality = 0.99: HD2 LYS 17 + H LYS 17 OK 90 99 - 91 - 6.3=29, 3.7/1114=25...(18) * HD2 LYS 16 + H LYS 17 OK 71 100 - 71 - 2.9/7368=23, 2.9/7369=21...(10) HD3 LYS 16 + H LYS 17 OK 71 100 - 71 - 2.9/7368=23, 2.9/7369=21...(10) HD3 LYS 20 - H LYS 17 OK 43 100 - 43 - 3.0/1119=7, ~11542=6...(14) HD2 LYS 20 - H LYS 17 OK 43 100 - 43 - 3.0/1119=7, ~11542=6...(14) HD2 LYS 40 - H LYS 17 OK 37 99 - 37 - 2.9/86=7, 3.6/1114=6...(13) HD3 LYS 40 - H LYS 17 OK 36 99 - 37 - 2.9/86=7, 3.6/1114=6...(13) HG3 LYS 123 - H LYS 17 lone 8 84 - 9 - 3.9/1989=2, 2.9/1116=2...(4) HB ILE 56 - H LYS 17 lone 8 100 - 8 - 4.4/1990=2, 2.9/1117=2...(4) HD3 LYS 73 - H LYS 17 lone 7 100 - 7 - 2726/3.6=1, 7674/4.6=1 HD2 LYS 73 - H LYS 17 lone 7 100 - 7 - 2726/3.6=1, 7674/4.6=1 HD3 LYS 96 - H LYS 17 lone 6 100 - 6 - 3.0/1117=1 HD2 LYS 96 - H LYS 17 lone 6 99 - 6 - 3.0/1117=1 HD3 LYS 43 - H LYS 17 lone 5 100 - 5 - HG LEU 74 - H LYS 17 lone 5 65 - 8 - 4.9/82=4, 5234/4.6=2 HD2 LYS 43 - H LYS 17 lone 5 97 - 5 - HD2 LYS 44 - H LYS 17 lone 4 77 - 4 - HD3 LYS 44 - H LYS 17 lone 3 70 - 4 - HG3 ARG 95 - H LYS 17 lone 2 92 - 3 - HG12 ILE 71 - H LYS 17 lone 2 96 - 2 - HB ILE 54 - H LYS 17 lone 2 99 - 2 - HG3 LYS 39 - H LYS 17 lone 2 84 - 2 - HD3 LYS 39 - H LYS 17 lone 1 61 - 1 - Peak 89 from nnoeabs.peaks (1.69, 7.58, 118.83 ppm; 4.14 A): 3 out of 24 assignments used, quality = 0.99: HD2 LYS 17 + H LYS 17 OK 87 96 - 91 - 6.3=29, 3.7/1114=25...(18) * HD3 LYS 16 + H LYS 17 OK 71 100 - 71 - 2.9/7368=23, 2.9/7369=21...(10) HD2 LYS 16 + H LYS 17 OK 71 100 - 71 - 2.9/7368=23, 2.9/7369=21...(10) HD2 LYS 20 - H LYS 17 OK 43 100 - 43 - 3.0/1119=7, ~11542=6...(14) HD3 LYS 20 - H LYS 17 OK 43 100 - 43 - 3.0/1119=7, ~11542=6...(14) HD2 LYS 40 - H LYS 17 OK 36 97 - 37 - 2.9/86=7, 3.6/1114=6...(13) HD3 LYS 40 - H LYS 17 OK 35 96 - 37 - 2.9/86=7, 3.6/1114=6...(13) HG3 LYS 123 - H LYS 17 lone 8 92 - 9 - 3.9/1989=2, 2.9/1116=2...(4) HB ILE 56 - H LYS 17 lone 8 100 - 8 - 4.4/1990=2, 2.9/1117=2...(4) HD2 LYS 73 - H LYS 17 lone 7 99 - 7 - 2726/3.6=1 HD3 LYS 73 - H LYS 17 lone 7 99 - 7 - 2726/3.6=1 HG LEU 74 - H LYS 17 lone 7 77 - 9 - 4.9/82=4, 5234/4.6=2 HD3 LYS 96 - H LYS 17 lone 6 98 - 5 - 3.0/1117=1 HD2 LYS 96 - H LYS 17 lone 5 96 - 5 - 3.0/1117=1 HD3 LYS 43 - H LYS 17 lone 5 99 - 5 - HD2 LYS 43 - H LYS 17 lone 5 92 - 5 - HD2 LYS 44 - H LYS 17 lone 4 87 - 4 - HD3 LYS 44 - H LYS 17 lone 4 81 - 4 - HG12 ILE 71 - H LYS 17 lone 2 99 - 2 - HG3 ARG 95 - H LYS 17 lone 2 84 - 2 - HB ILE 54 - H LYS 17 lone 2 97 - 2 - HG3 LYS 39 - H LYS 17 lone 2 92 - 2 - HD3 LYS 39 - H LYS 17 lone 1 73 - 1 - HD2 LYS 39 - H LYS 17 lone 1 70 - 1 - Peak 92 from nnoeabs.peaks (7.58, 8.79, 120.96 ppm; 3.33 A): 2 out of 3 assignments used, quality = 0.70: * H LYS 17 + H ILE 18 OK 62 100 - 62 - 4.6=37, 1114/4.6=12...(8) H LEU 14 + H ILE 18 OK 23 98 - 24 - 3.0/7981=7, 9162/4.6=5...(9) HE ARG 105 - H ILE 18 lone 1 73 - 1 - Peak 93 from nnoeabs.peaks (3.99, 8.79, 120.96 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 17 + H ILE 18 OK 100 100 - 100 - 3.6=100 Peak 94 from nnoeabs.peaks (1.99, 8.79, 120.96 ppm; 3.88 A): 3 out of 4 assignments used, quality = 0.87: * HB2 LYS 17 + H ILE 18 OK 80 100 - 81 - 4.6=58, 1.8/95=20...(7) HB VAL 22 + H ILE 18 OK 25 94 - 27 - ~10857=10, 2.1/9185=5...(5) HB2 LYS 40 + H ILE 18 OK 13 100 - 13 - 3.0/8062=4, 1114/4.6=4...(4) HB3 GLU 103 - H ILE 18 lone 1 98 - 1 - Peak 95 from nnoeabs.peaks (1.92, 8.79, 120.96 ppm; 3.81 A): 3 out of 16 assignments used, quality = 0.88: * HB3 LYS 17 + H ILE 18 OK 80 100 - 80 - 4.6=56, 1.8/94=24...(7) HB ILE 15 + H ILE 18 OK 30 97 - 31 - 3.0/7983=16, 4.5/1985=5...(6) HG2 MET 121 + H ILE 18 OK 15 99 - 15 - 10594/5.0=5, 10593/4.0=4...(4) HB2 LEU 81 - H ILE 18 lone 4 100 - 4 - HB2 LYS 39 - H ILE 18 lone 3 87 - 4 - 3.0/8056=2 HB2 LYS 115 - H ILE 18 lone 3 98 - 3 - HB3 LYS 115 - H ILE 18 lone 2 87 - 2 - HB3 LYS 123 - H ILE 18 lone 2 96 - 2 - HB2 LYS 43 - H ILE 18 lone 2 77 - 3 - HB2 LYS 44 - H ILE 18 lone 2 90 - 2 - HB2 LYS 123 - H ILE 18 lone 2 87 - 2 - HB3 LYS 44 - H ILE 18 lone 2 73 - 2 - HB3 LYS 65 - H ILE 18 lone 1 90 - 1 - HB2 LYS 65 - H ILE 18 lone 1 87 - 1 - HB2 LEU 45 - H ILE 18 lone 1 65 - 1 - HB2 LEU 127 - H ILE 18 lone 1 90 - 1 - Peak 96 from nnoeabs.peaks (1.75, 8.79, 120.96 ppm; 3.24 A): 3 out of 11 assignments used, quality = 0.87: HG12 ILE 18 + H ILE 18 OK 70 92 - 76 - 4.6=34, 2.9/2907=18...(12) * HG2 LYS 17 + H ILE 18 OK 45 100 - 45 - 3.0/94=14, 3.0/95=11...(6) HB2 LEU 114 + H ILE 18 OK 23 57 - 41 - 3.1/10434=12...(10) HB2 LEU 55 - H ILE 18 lone 6 98 - 7 - 3.1/9527=2, 4.6/9529=1 HB2 LEU 80 - H ILE 18 lone 3 100 - 3 - 2814/3.6=1 HD3 LYS 123 - H ILE 18 lone 2 97 - 2 - HG3 ARG 105 - H ILE 18 lone 1 100 - 1 - HB2 LEU 68 - H ILE 18 lone 1 96 - 1 - HB3 LEU 82 - H ILE 18 lone 1 61 - 1 - HB3 LYS 49 - H ILE 18 lone 1 100 - 1 - HB3 LYS 94 - H ILE 18 lone 0 57 - 0 - Peak 97 from nnoeabs.peaks (1.43, 8.79, 120.96 ppm; 5.35 A): 5 out of 11 assignments used, quality = 0.93: * HG3 LYS 17 + H ILE 18 OK 86 100 - 86 - 3.0/94=31, 2815/3.6=30...(10) QB ALA 113 + H ILE 18 OK 21 61 - 34 - 10421/5.0=12...(7) HG12 ILE 56 + H ILE 18 OK 19 100 - 19 - 7578/4.6=5, 4.6/9529=4...(6) HB2 LEU 4 + H ILE 18 OK 13 96 - 13 - 2815/3.6=2, 11529/5.0=2...(6) HB3 LEU 4 + H ILE 18 OK 13 96 - 13 - 2815/3.6=2, 11529/5.0=2...(6) HG LEU 80 - H ILE 18 lone 6 87 - 6 - 2815/3.6=3, 1117/4.6=1 HG3 LYS 44 - H ILE 18 lone 5 94 - 5 - 4.9/2059=1 HB3 GLN 83 - H ILE 18 lone 5 94 - 5 - 11517/9185=1 HG2 LYS 96 - H ILE 18 lone 5 90 - 5 - 2815/3.6=1, 1117/4.6=1 HB3 LEU 63 - H ILE 18 lone 5 100 - 5 - HB3 LYS 61 - H ILE 18 lone 2 100 - 2 - Peak 102 from nnoeabs.peaks (8.79, 8.53, 118.32 ppm; 3.54 A): 1 out of 6 assignments used, quality = 0.70: * H ILE 18 + H LYS 19 OK 70 100 - 70 - 4.6=44, 3.9/7384=15...(9) H VAL 29 - H LYS 19 poor 10 94 - 10 - 160/4.0=4, 4.6/9250=2 H MET 42 - H LYS 19 lone 5 98 - 5 - 2050/7988=1, 8056/1998=1 H ILE 5 - H LYS 19 lone 5 57 - 9 - 5.0/108=3, 4.0/10781=1...(4) H ASN 59 - H LYS 19 lone 3 94 - 3 - H ILE 54 - H LYS 19 lone 1 61 - 2 - Peak 103 from nnoeabs.peaks (3.37, 8.53, 118.32 ppm; 4.76 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 18 + H LYS 19 OK 100 100 - 100 - 3.6=100 Peak 104 from nnoeabs.peaks (1.82, 8.53, 118.32 ppm; 3.13 A): 3 out of 10 assignments used, quality = 0.92: HB3 LYS 19 + H LYS 19 OK 67 84 - 80 - 4.0=48, 1.8/1131=27...(11) * HB ILE 18 + H LYS 19 OK 63 100 - 63 - 4.5=35, 3.9/1867=13...(10) HB ILE 57 + H LYS 19 OK 31 100 - 31 - 4502=7, 3.2/4530=5...(11) HG12 ILE 5 - H LYS 19 poor 9 81 - 11 - 2.1/108=4, 1.8/10781=2...(4) QE MET 121 - H LYS 19 lone 8 94 - 8 - 10601/3.7=3 HB2 LEU 14 - H LYS 19 lone 7 100 - 7 - 4.0/1997=2, 1124/4.6=2 HB3 ARG 105 - H LYS 19 lone 1 99 - 1 - HB ILE 3 - H LYS 19 lone 0 77 - 1 - HG2 ARG 105 - H LYS 19 lone 0 73 - 1 - HB ILE 97 - H LYS 19 lone 0 84 - 0 - Peak 105 from nnoeabs.peaks (0.72, 8.53, 118.32 ppm; 3.59 A): 2 out of 11 assignments used, quality = 0.98: * QG2 ILE 18 + H LYS 19 OK 96 100 - 96 - 3.7=89, 2.1/7384=22...(12) HG13 ILE 18 + H LYS 19 OK 52 90 - 58 - 2.9/7384=19, 4.6/1867=14...(9) QD1 ILE 57 - H LYS 19 OK 43 90 - 48 - 4530=9, 9560/3.0=8...(15) QG1 VAL 117 - H LYS 19 OK 30 100 - 30 - 10517/3.6=14...(8) QD2 LEU 55 - H LYS 19 OK 14 65 - 22 - 9504/3.0=12, 9528=3...(6) QD2 LEU 81 - H LYS 19 lone 5 87 - 6 - QG2 VAL 78 - H LYS 19 lone 3 97 - 3 - 2.1/108=1 QD2 LEU 63 - H LYS 19 lone 3 94 - 3 - QD1 LEU 6 - H LYS 19 lone 1 100 - 1 - QD2 LEU 45 - H LYS 19 lone 1 97 - 1 - QD2 LEU 6 - H LYS 19 lone 1 70 - 1 - Peak 108 from nnoeabs.peaks (0.61, 8.53, 118.32 ppm; 4.83 A): 2 out of 3 assignments used, quality = 0.93: * QD1 ILE 18 + H LYS 19 OK 89 100 - 89 - 2920/3.7=36, 3.2/7384=31...(10) QD1 ILE 5 + H LYS 19 OK 35 90 - 39 - 2906/3.6=9, 1128/4.6=8...(9) QG1 VAL 78 - H LYS 19 lone 8 100 - 8 - 2906/3.6=2, 1128/4.6=2...(4) Peak 109 from nnoeabs.peaks (8.53, 7.30, 116.28 ppm; 3.54 A): 2 out of 3 assignments used, quality = 0.84: * H LYS 19 + H LYS 20 OK 80 100 - 80 - 4.5=48, 4.0/111=18...(11) H ILE 57 + H LYS 20 OK 20 94 - 21 - 4.9/9203=5, 4.0/112=3...(8) H ASN 88 - H LYS 20 lone 1 99 - 1 - Peak 110 from nnoeabs.peaks (3.68, 7.30, 116.28 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 19 + H LYS 20 OK 100 100 - 100 - 3.6=100 Peak 111 from nnoeabs.peaks (1.79, 7.30, 116.28 ppm; 3.49 A): 1 out of 9 assignments used, quality = 0.74: * HB2 LYS 19 + H LYS 20 OK 74 100 - 74 - 4.4=49, 1.8/7391=24...(7) HG12 ILE 5 - H LYS 20 lone 3 61 - 4 - 3.2/9202=1, 1131/4.5=1 HB2 ARG 118 - H LYS 20 lone 3 90 - 3 - HB VAL 32 - H LYS 20 lone 2 87 - 3 - 1131/4.5=1 HB3 GLN 28 - H LYS 20 lone 2 99 - 2 - 4.6/2002=1 HB2 LEU 64 - H LYS 20 lone 1 100 - 1 - HG2 ARG 105 - H LYS 20 lone 1 70 - 1 - HB2 LEU 90 - H LYS 20 lone 0 87 - 1 - HB ILE 3 - H LYS 20 lone 0 65 - 1 - Peak 112 from nnoeabs.peaks (1.83, 7.30, 116.28 ppm; 2.92 A): 3 out of 10 assignments used, quality = 0.69: * HB3 LYS 19 + H LYS 20 OK 57 100 - 57 - 4.4=29, 1.8/111=22...(7) HB ILE 18 + H LYS 20 OK 18 84 - 21 - 4.5/1868=11, 3.9/2002=5 HB ILE 57 + H LYS 20 OK 13 90 - 14 - 3.2/9203=4, 4.0/109=3...(6) HB2 LEU 14 - H LYS 20 lone 7 90 - 7 - 3.0/2003=3, 1.8/1143=2 QE MET 121 - H LYS 20 lone 4 99 - 4 - HB3 LYS 77 - H LYS 20 lone 1 97 - 1 - HB2 LYS 77 - H LYS 20 lone 1 94 - 1 - HD2 LYS 123 - H LYS 20 lone 0 94 - 0 - HB3 ARG 105 - H LYS 20 lone 0 65 - 0 - HG LEU 70 - H LYS 20 lone 0 81 - 0 - Peak 113 from nnoeabs.peaks (1.10, 7.30, 116.28 ppm; 5.82 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 19 + H LYS 20 OK 100 100 - 100 - 5.0=100 Peak 114 from nnoeabs.peaks (1.60, 7.30, 116.28 ppm; 4.53 A): 3 out of 9 assignments used, quality = 0.99: * HG3 LYS 19 + H LYS 20 OK 92 100 - 92 - 5.0=76, 3.0/111=35...(5) HD3 LYS 19 + H LYS 20 OK 67 100 - 67 - 3.6/111=31, 3.6/7391=29...(6) HD2 LYS 19 + H LYS 20 OK 67 100 - 67 - 3.6/111=31, 3.6/7391=29...(6) HG2 LYS 73 - H LYS 20 OK 37 100 - 37 - 1.8/1144=8, ~3037=5...(14) HG12 ILE 116 - H LYS 20 lone 2 87 - 3 - 2.1/9203=1 HG2 LYS 44 - H LYS 20 lone 2 81 - 3 - HG LEU 68 - H LYS 20 lone 1 96 - 2 - HG LEU 82 - H LYS 20 lone 1 100 - 1 - HB3 LEU 127 - H LYS 20 lone 1 70 - 1 - Peak 119 from nnoeabs.peaks (7.30, 7.67, 118.49 ppm; 3.65 A): 1 out of 2 assignments used, quality = 0.79: * H LYS 20 + H GLU 21 OK 79 100 - 79 - 4.6=49, 3.0/120=24...(10) HE21 GLN 100 - H GLU 21 lone 2 70 - 2 - 10164/2.9=1 Peak 120 from nnoeabs.peaks (4.09, 7.67, 118.49 ppm; 3.53 A): 1 out of 5 assignments used, quality = 0.99: * HA LYS 20 + H GLU 21 OK 99 100 - 99 - 3.6=97, 3.0/119=26...(6) HA LYS 43 - H GLU 21 OK 16 100 - 16 - 3063/4.9=5, 3073/4.9=4...(6) HA GLN 62 - H GLU 21 lone 4 65 - 6 - 2.9/1905=2 HA ASP 110 - H GLU 21 lone 3 96 - 3 - HA GLU 91 - H GLU 21 lone 1 81 - 1 - Peak 121 from nnoeabs.peaks (1.89, 7.67, 118.49 ppm; 3.15 A): 2 out of 21 assignments used, quality = 0.90: HB3 LYS 20 + H GLU 21 OK 69 100 - 69 - 4.6=32, 3.0/120=17...(6) * HB2 LYS 20 + H GLU 21 OK 69 100 - 69 - 4.6=32, 3.0/120=17...(6) HB2 LEU 63 - H GLU 21 poor 9 61 - 15 - 1.8/4723=4, 3.0/4730=3...(6) HB3 LYS 43 - H GLU 21 lone 9 90 - 10 - 3.0/123=3, 3.0/120=3...(4) HB3 LYS 73 - H GLU 21 lone 6 99 - 6 - 2.9/124=2, 3035/3.6=1, 7400=1 HB2 LYS 43 - H GLU 21 lone 6 70 - 9 - 3.0/123=3, 3.0/120=3...(4) HB2 LYS 73 - H GLU 21 lone 6 99 - 6 - 2.9/124=2, 3035/3.6=1, 7400=1 HB3 LYS 16 - H GLU 21 lone 3 94 - 3 - HB2 LYS 16 - H GLU 21 lone 2 92 - 3 - HB ILE 71 - H GLU 21 lone 2 98 - 2 - 2.1/9204=1 QE MET 67 - H GLU 21 lone 2 92 - 2 - HB2 ARG 95 - H GLU 21 lone 2 97 - 2 - HG LEU 45 - H GLU 21 lone 2 96 - 2 - HB2 LEU 45 - H GLU 21 lone 2 81 - 2 - HB2 LYS 96 - H GLU 21 lone 1 90 - 1 - HG2 ARG 95 - H GLU 21 lone 1 81 - 1 - HB3 ARG 118 - H GLU 21 lone 1 61 - 2 - HB ILE 7 - H GLU 21 lone 0 100 - 0 - HB2 LYS 49 - H GLU 21 lone 0 94 - 0 - HB3 LYS 44 - H GLU 21 lone 0 73 - 1 - HB2 GLU 128 - H GLU 21 lone 0 90 - 0 - Peak 122 from nnoeabs.peaks (1.89, 7.67, 118.49 ppm; 3.15 A): 2 out of 21 assignments used, quality = 0.90: * HB3 LYS 20 + H GLU 21 OK 69 100 - 69 - 4.6=32, 3.0/120=17...(6) HB2 LYS 20 + H GLU 21 OK 69 100 - 69 - 4.6=32, 3.0/120=17...(6) HB2 LEU 63 - H GLU 21 poor 9 61 - 15 - 1.8/4723=4, 3.0/4730=3...(6) HB3 LYS 43 - H GLU 21 lone 9 90 - 10 - 3.0/123=3, 3.0/120=3...(4) HB3 LYS 73 - H GLU 21 lone 6 99 - 6 - 2.9/124=2, 3035/3.6=1, 7400=1 HB2 LYS 43 - H GLU 21 lone 6 70 - 9 - 3.0/123=3, 3.0/120=3...(4) HB2 LYS 73 - H GLU 21 lone 6 99 - 6 - 2.9/124=2, 3035/3.6=1, 7400=1 HB3 LYS 16 - H GLU 21 lone 3 94 - 3 - HB2 LYS 16 - H GLU 21 lone 2 92 - 3 - HB ILE 71 - H GLU 21 lone 2 98 - 2 - 2.1/9204=1 QE MET 67 - H GLU 21 lone 2 92 - 2 - HB2 ARG 95 - H GLU 21 lone 2 97 - 2 - HG LEU 45 - H GLU 21 lone 2 96 - 2 - HB2 LEU 45 - H GLU 21 lone 2 81 - 2 - HB2 LYS 96 - H GLU 21 lone 1 90 - 1 - HG2 ARG 95 - H GLU 21 lone 1 81 - 1 - HB3 ARG 118 - H GLU 21 lone 1 61 - 2 - HB ILE 7 - H GLU 21 lone 0 100 - 0 - HB2 LYS 49 - H GLU 21 lone 0 94 - 0 - HB3 LYS 44 - H GLU 21 lone 0 73 - 1 - HB2 GLU 128 - H GLU 21 lone 0 90 - 0 - Peak 123 from nnoeabs.peaks (1.51, 7.67, 118.49 ppm; 3.17 A): 1 out of 11 assignments used, quality = 0.60: * HG2 LYS 20 + H GLU 21 OK 60 100 - 60 - 4.9=27, 3.8/120=14...(6) HG2 LYS 43 - H GLU 21 poor 10 97 - 10 - 3841/3.6=4, 3.9/120=2...(4) HD3 LYS 17 - H GLU 21 lone 4 90 - 4 - 11514/9205=1, 1143/4.6=1 HB2 LYS 61 - H GLU 21 lone 3 90 - 3 - 3.0/8095=2, 4.6/1905=1 QB ALA 124 - H GLU 21 lone 3 100 - 3 - HB3 LEU 14 - H GLU 21 lone 2 96 - 3 - 3036/3.6=1, 1143/4.6=1 HB2 LEU 6 - H GLU 21 lone 1 100 - 1 - HG LEU 38 - H GLU 21 lone 1 77 - 1 - HB3 ARG 30 - H GLU 21 lone 1 96 - 1 - HG LEU 6 - H GLU 21 lone 1 81 - 1 - HG2 ARG 30 - H GLU 21 lone 1 94 - 1 - Peak 124 from nnoeabs.peaks (1.48, 7.67, 118.49 ppm; 4.43 A): 3 out of 14 assignments used, quality = 0.95: * HG3 LYS 20 + H GLU 21 OK 93 100 - 93 - 4.9=73, 1.8/123=34...(6) HG3 LYS 73 + H GLU 21 OK 16 100 - 16 - 3037/3.6=7, 1144/4.6=4...(6) HG12 ILE 57 + H GLU 21 OK 12 73 - 16 - 3.2/9204=11, 1144/4.6=3 HG3 ARG 118 - H GLU 21 lone 5 97 - 5 - ~11324=1, 4.5/9206=1 HB2 LEU 74 - H GLU 21 lone 5 92 - 5 - 3.1/9204=2, 3.1/9204=1 HB3 LEU 45 - H GLU 21 lone 4 92 - 5 - 3037/3.6=2 HB3 LEU 38 - H GLU 21 lone 3 77 - 4 - HB3 LEU 6 - H GLU 21 lone 2 65 - 3 - HG2 LYS 39 - H GLU 21 lone 1 61 - 2 - HD2 LYS 53 - H GLU 21 lone 1 99 - 1 - HG2 LYS 106 - H GLU 21 lone 1 73 - 1 - HG2 LYS 49 - H GLU 21 lone 1 65 - 1 - HG3 LYS 49 - H GLU 21 lone 1 65 - 1 - HG12 ILE 7 - H GLU 21 lone 1 70 - 1 - Peak 146 from nnoeabs.peaks (8.02, 7.84, 119.08 ppm; 5.27 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 26 + H TYR 27 OK 100 100 - 100 - 4.6=100 Peak 147 from nnoeabs.peaks (3.81, 7.84, 119.08 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 26 + H TYR 27 OK 100 100 - 100 - 3.6=100 Peak 148 from nnoeabs.peaks (4.13, 7.84, 119.08 ppm; 5.76 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 26 + H TYR 27 OK 100 100 - 100 - 3.6=100 Peak 150 from nnoeabs.peaks (4.43, 8.34, 120.36 ppm; 3.17 A): 1 out of 2 assignments used, quality = 0.80: * HA TYR 27 + H GLN 28 OK 80 100 - 80 - 3.6=70, 3.0/152=16...(4) HA SER 126 - H GLN 28 lone 0 77 - 0 - Peak 151 from nnoeabs.peaks (2.66, 8.34, 120.36 ppm; 4.18 A): 1 out of 7 assignments used, quality = 0.99: * HB2 TYR 27 + H GLN 28 OK 99 100 - 99 - 4.2=96, 3.0/150=39...(4) HG2 MET 42 - H GLN 28 lone 6 96 - 6 - 3789/4.6=4, 3.0/1183=2 HB2 TYR 76 - H GLN 28 lone 2 100 - 2 - HE3 LYS 61 - H GLN 28 lone 2 92 - 2 - 3.0/9234=1 HB3 ASP 84 - H GLN 28 lone 1 100 - 1 - HB3 ASP 36 - H GLN 28 lone 1 100 - 1 - HB3 ASP 110 - H GLN 28 lone 0 70 - 1 - Peak 152 from nnoeabs.peaks (2.37, 8.34, 120.36 ppm; 4.17 A): 1 out of 5 assignments used, quality = 0.99: * HB3 TYR 27 + H GLN 28 OK 99 100 - 99 - 4.2=96, 3.0/150=39...(5) HG2 GLU 13 - H GLN 28 lone 2 87 - 2 - HG2 GLU 98 - H GLN 28 lone 2 99 - 2 - HG2 GLU 66 - H GLN 28 lone 1 65 - 2 - HG2 GLN 25 - H GLN 28 lone 1 92 - 1 - Peak 156 from nnoeabs.peaks (6.79, 8.34, 120.36 ppm; 5.32 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 27 + H GLN 28 OK 100 100 - 100 - 4.5=100 Peak 157 from nnoeabs.peaks (8.34, 8.78, 123.48 ppm; 5.45 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 28 + H VAL 29 OK 100 100 - 100 - 4.6=100 Peak 158 from nnoeabs.peaks (4.50, 8.78, 123.48 ppm; 2.86 A): 1 out of 3 assignments used, quality = 0.73: * HA GLN 28 + H VAL 29 OK 73 100 - 73 - 3.6=51, 3.0/159=12...(8) HA GLU 103 - H VAL 29 lone 1 96 - 1 - HA ASP 84 - H VAL 29 lone 1 100 - 1 - Peak 159 from nnoeabs.peaks (2.06, 8.78, 123.48 ppm; 4.02 A): 1 out of 14 assignments used, quality = 0.93: * HB2 GLN 28 + H VAL 29 OK 93 100 - 93 - 4.6=66, 3.0/158=39...(7) HB2 LYS 94 - H VAL 29 lone 2 96 - 2 - 10977/4.0=1 HB3 MET 67 - H VAL 29 lone 2 84 - 2 - HB3 PHE 79 - H VAL 29 lone 2 84 - 2 - HB2 GLU 13 - H VAL 29 lone 1 100 - 1 - HB3 GLN 100 - H VAL 29 lone 1 81 - 1 - HB VAL 117 - H VAL 29 lone 1 77 - 1 - HB3 GLU 98 - H VAL 29 lone 1 94 - 1 - HG2 GLU 119 - H VAL 29 lone 1 81 - 1 - HB3 GLU 91 - H VAL 29 lone 1 97 - 1 - HB2 GLU 92 - H VAL 29 lone 1 94 - 1 - HB2 GLU 47 - H VAL 29 lone 1 98 - 1 - HB3 MET 121 - H VAL 29 lone 1 77 - 1 - HG3 GLU 52 - H VAL 29 lone 1 65 - 1 - Peak 160 from nnoeabs.peaks (1.78, 8.78, 123.48 ppm; 4.41 A): 1 out of 7 assignments used, quality = 0.98: * HB3 GLN 28 + H VAL 29 OK 98 100 - 98 - 4.6=87, 3.0/158=43...(8) HB2 LYS 19 - H VAL 29 OK 38 99 - 38 - 11029/4.0=14...(6) HB VAL 32 - H VAL 29 lone 5 97 - 6 - 1181/4.6=3 HG12 ILE 18 - H VAL 29 lone 4 65 - 6 - 2.9/2907=1, 2921=1 HB2 LEU 90 - H VAL 29 lone 3 97 - 3 - HB2 LEU 64 - H VAL 29 lone 3 98 - 3 - HB2 ARG 118 - H VAL 29 lone 1 73 - 1 - Peak 161 from nnoeabs.peaks (2.24, 8.78, 123.48 ppm; 4.46 A): 1 out of 4 assignments used, quality = 0.84: * HG2 GLN 28 + H VAL 29 OK 84 100 - 84 - 3.8/158=37, 3.0/159=31...(6) HG2 GLU 103 - H VAL 29 lone 1 70 - 2 - HB3 GLN 122 - H VAL 29 lone 1 100 - 1 - HB2 GLN 122 - H VAL 29 lone 1 100 - 1 - Peak 162 from nnoeabs.peaks (2.20, 8.78, 123.48 ppm; 4.91 A): 2 out of 9 assignments used, quality = 0.91: * HG3 GLN 28 + H VAL 29 OK 88 100 - 88 - 1.8/161=43, 3.8/158=42...(5) HB2 MET 42 + H VAL 29 OK 26 90 - 29 - 3.0/3789=7, 3.0/3796=7...(7) HB2 MET 67 - H VAL 29 lone 4 100 - 4 - HG3 GLU 66 - H VAL 29 lone 2 77 - 3 - HB2 GLN 100 - H VAL 29 lone 2 96 - 2 - HB2 GLU 69 - H VAL 29 lone 1 100 - 1 - HB3 MET 1 - H VAL 29 lone 1 99 - 1 - HB2 GLN 83 - H VAL 29 lone 1 92 - 1 - HG2 GLU 48 - H VAL 29 lone 1 100 - 1 - Peak 165 from nnoeabs.peaks (8.78, 9.13, 127.79 ppm; 5.25 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 29 + H ARG 30 OK 100 100 - 100 - 4.6=100 Peak 166 from nnoeabs.peaks (5.04, 9.13, 127.79 ppm; 2.90 A): 2 out of 2 assignments used, quality = 0.77: * HA VAL 29 + H ARG 30 OK 68 100 - 68 - 3.6=53, 3.2/7434=16...(7) HA ILE 56 + H ARG 30 OK 28 81 - 35 - 10680=12, 3.6/11361=8...(7) Peak 167 from nnoeabs.peaks (1.95, 9.13, 127.79 ppm; 4.84 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 29 + H ARG 30 OK 100 100 - 100 - 4.4=100 Peak 168 from nnoeabs.peaks (0.90, 9.13, 127.79 ppm; 4.03 A): 1 out of 8 assignments used, quality = 0.94: * QG2 VAL 29 + H ARG 30 OK 94 100 - 94 - 4.3=82, 2.1/7434=38...(5) HG13 ILE 54 - H ARG 30 poor 9 77 - 12 - ~9495=6, ~9488=5 QD2 LEU 38 - H ARG 30 lone 4 97 - 4 - 1189/4.6=1 QD1 LEU 90 - H ARG 30 lone 2 97 - 2 - QG2 VAL 104 - H ARG 30 lone 2 87 - 2 - 1189/4.6=1 QD2 LEU 90 - H ARG 30 lone 1 81 - 2 - QD1 LEU 70 - H ARG 30 lone 1 92 - 1 - QD2 LEU 70 - H ARG 30 lone 1 97 - 1 - Peak 169 from nnoeabs.peaks (0.80, 9.13, 127.79 ppm; 3.45 A): 1 out of 8 assignments used, quality = 0.76: * QG1 VAL 29 + H ARG 30 OK 76 100 - 76 - 4.3=52, 3.2/7431=26...(5) QD1 LEU 114 - H ARG 30 lone 3 99 - 3 - 2.1/9254=1 QD1 LEU 81 - H ARG 30 lone 2 90 - 3 - QD1 LEU 64 - H ARG 30 lone 1 81 - 2 - QD2 LEU 64 - H ARG 30 lone 1 70 - 2 - QG2 ILE 71 - H ARG 30 lone 1 70 - 1 - QD1 LEU 74 - H ARG 30 lone 0 70 - 1 - QD2 LEU 74 - H ARG 30 lone 0 61 - 0 - Peak 170 from nnoeabs.peaks (9.13, 8.38, 121.89 ppm; 4.92 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 30 + H ASP 31 OK 100 100 - 100 - 4.6=100 Peak 171 from nnoeabs.peaks (4.74, 8.38, 121.89 ppm; 2.87 A): 1 out of 4 assignments used, quality = 0.69: * HA ARG 30 + H ASP 31 OK 69 100 - 70 - 3.6=52, 3.0/172=14...(7) HA THR 9 - H ASP 31 lone 1 100 - 1 - HA ASP 109 - H ASP 31 lone 0 100 - 0 - HA PHE 51 - H ASP 31 lone 0 65 - 0 - Peak 172 from nnoeabs.peaks (1.65, 8.38, 121.89 ppm; 3.74 A): 1 out of 12 assignments used, quality = 0.86: * HB2 ARG 30 + H ASP 31 OK 86 100 - 86 - 4.6=53, 3.0/171=35...(7) HB ILE 5 - H ASP 31 lone 8 96 - 8 - 3.0/10690=6, 4.5/9070=2 HD2 LYS 65 - H ASP 31 lone 1 100 - 1 - HD3 LYS 65 - H ASP 31 lone 1 100 - 1 - HD2 LYS 49 - H ASP 31 lone 1 100 - 1 - HD3 LYS 49 - H ASP 31 lone 1 100 - 1 - HG LEU 64 - H ASP 31 lone 1 87 - 1 - HG LEU 114 - H ASP 31 lone 0 100 - 0 - HD2 LYS 115 - H ASP 31 lone 0 100 - 0 - HD3 LYS 115 - H ASP 31 lone 0 99 - 0 - HB2 GLU 52 - H ASP 31 lone 0 100 - 0 - HG LEU 90 - H ASP 31 lone 0 77 - 0 - Peak 173 from nnoeabs.peaks (1.51, 8.38, 121.89 ppm; 3.87 A): 2 out of 11 assignments used, quality = 0.96: * HB3 ARG 30 + H ASP 31 OK 90 100 - 90 - 4.6=59, 3.0/171=37...(7) HG2 ARG 30 + H ASP 31 OK 60 70 - 86 - 4.8=54, 3.9/171=29...(7) HG LEU 6 - H ASP 31 lone 8 98 - 8 - 5.1/9070=2, 11537/4.6=2...(4) HB2 LEU 6 - H ASP 31 lone 6 98 - 6 - 3.9/9070=3, 1.8/175=2 HG LEU 38 - H ASP 31 lone 3 97 - 3 - HB3 LEU 14 - H ASP 31 lone 1 73 - 2 - HD3 LYS 17 - H ASP 31 lone 1 100 - 1 - QB ALA 124 - H ASP 31 lone 1 92 - 1 - HB2 LYS 61 - H ASP 31 lone 1 100 - 1 - HG2 LYS 43 - H ASP 31 lone 1 100 - 1 - HG2 LYS 20 - H ASP 31 lone 1 96 - 1 - Peak 174 from nnoeabs.peaks (1.50, 8.38, 121.89 ppm; 3.91 A): 2 out of 13 assignments used, quality = 0.95: * HG2 ARG 30 + H ASP 31 OK 87 100 - 87 - 4.8=55, 3.9/171=30...(7) HB3 ARG 30 + H ASP 31 OK 63 70 - 90 - 4.6=60, 3.0/171=38...(7) HB2 LEU 6 - H ASP 31 lone 5 90 - 6 - 3.9/9070=3, 1.8/175=2 HB3 LEU 14 - H ASP 31 lone 2 100 - 2 - HB3 LEU 45 - H ASP 31 lone 1 90 - 2 - QB ALA 124 - H ASP 31 lone 1 97 - 1 - HG2 LYS 20 - H ASP 31 lone 1 94 - 1 - HG3 ARG 118 - H ASP 31 lone 0 81 - 1 - HD3 LYS 17 - H ASP 31 lone 0 57 - 1 - HG2 LYS 43 - H ASP 31 lone 0 73 - 1 - HD2 LYS 53 - H ASP 31 lone 0 70 - 1 - HG3 LYS 73 - H ASP 31 lone 0 61 - 1 - HB2 LYS 61 - H ASP 31 lone 0 57 - 1 - Peak 175 from nnoeabs.peaks (1.45, 8.38, 121.89 ppm; 4.12 A): 2 out of 16 assignments used, quality = 0.96: * HG3 ARG 30 + H ASP 31 OK 93 100 - 93 - 4.8=65, 3.9/171=33...(8) HG12 ILE 57 + H ASP 31 OK 46 96 - 48 - ~9573=15, ~9569=14...(6) HB3 LEU 6 - H ASP 31 lone 8 98 - 8 - 3.9/9070=3, 3.0/173=2, 1.8/173=1 HG12 ILE 7 - H ASP 31 lone 7 97 - 7 - 2.1/9273=3, 9303/9273=1 HB3 LEU 38 - H ASP 31 lone 5 94 - 5 - 11526/9273=2 HG LEU 4 - H ASP 31 lone 4 100 - 4 - 1196/4.6=2 HB2 LEU 4 - H ASP 31 lone 3 77 - 3 - 1196/4.6=1, 3.8/9033=1 HB3 LEU 4 - H ASP 31 lone 3 77 - 3 - 1196/4.6=1, 3.8/9033=1 HG2 LYS 39 - H ASP 31 lone 3 99 - 3 - 11039/9273=1 HG LEU 80 - H ASP 31 lone 3 90 - 3 - 2.1/9273=1 HG3 LYS 49 - H ASP 31 lone 1 98 - 1 - HG2 LYS 49 - H ASP 31 lone 1 98 - 1 - HG2 LYS 106 - H ASP 31 lone 1 96 - 1 - HG2 LYS 96 - H ASP 31 lone 1 87 - 1 - HG3 LYS 44 - H ASP 31 lone 1 81 - 1 - HB2 LEU 74 - H ASP 31 lone 1 81 - 1 - Peak 176 from nnoeabs.peaks (3.33, 8.38, 121.89 ppm; 6.18 A): 1 out of 2 assignments used, quality = 0.92: * HD2 ARG 30 + H ASP 31 OK 92 100 - 92 - 5.3/171=42, 1.8/177=42...(6) HD3 ARG 105 - H ASP 31 lone 2 98 - 2 - Peak 177 from nnoeabs.peaks (2.93, 8.38, 121.89 ppm; 5.37 A): 1 out of 10 assignments used, quality = 0.91: * HD3 ARG 30 + H ASP 31 OK 91 100 - 91 - 3.6/172=36, 5.3/171=35...(8) HE2 LYS 65 - H ASP 31 lone 2 70 - 3 - HE3 LYS 65 - H ASP 31 lone 2 70 - 3 - HE2 LYS 96 - H ASP 31 lone 2 100 - 2 - HE3 LYS 96 - H ASP 31 lone 2 100 - 2 - HE3 LYS 44 - H ASP 31 lone 1 100 - 1 - HE2 LYS 44 - H ASP 31 lone 1 100 - 1 - HB2 ASP 86 - H ASP 31 lone 1 98 - 1 - HE3 LYS 94 - H ASP 31 lone 1 73 - 1 - HE2 LYS 106 - H ASP 31 lone 1 61 - 2 - Peak 179 from nnoeabs.peaks (5.21, 8.44, 120.43 ppm; 2.85 A): 1 out of 2 assignments used, quality = 0.64: * HA ASP 31 + H VAL 32 OK 64 100 - 64 - 3.6=51, 3.0/181=8...(7) HA VAL 104 - H VAL 32 lone 1 65 - 1 - Peak 180 from nnoeabs.peaks (2.47, 8.44, 120.43 ppm; 3.69 A): 2 out of 5 assignments used, quality = 0.96: * HB2 ASP 31 + H VAL 32 OK 80 100 - 80 - 4.5=56, 3.0/179=35...(6) HB3 ASP 31 + H VAL 32 OK 80 100 - 80 - 4.5=56, 3.0/179=35...(6) HG3 GLU 41 - H VAL 32 lone 9 96 - 9 - 9293/3.0=3, 9307/4.7=3...(4) HB2 TYR 102 - H VAL 32 lone 1 99 - 1 - HG3 GLU 119 - H VAL 32 lone 1 96 - 1 - Peak 181 from nnoeabs.peaks (2.47, 8.44, 120.43 ppm; 3.69 A): 2 out of 5 assignments used, quality = 0.96: HB2 ASP 31 + H VAL 32 OK 80 100 - 80 - 4.5=56, 3.0/179=35...(6) * HB3 ASP 31 + H VAL 32 OK 80 100 - 80 - 4.5=56, 3.0/179=35...(6) HG3 GLU 41 - H VAL 32 lone 8 94 - 8 - 9307/4.7=3, 9293/3.0=3...(4) HB2 TYR 102 - H VAL 32 lone 1 99 - 1 - HG3 GLU 119 - H VAL 32 lone 1 94 - 1 - Peak 182 from nnoeabs.peaks (8.44, 9.55, 122.70 ppm; 4.81 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 32 + H ASN 33 OK 100 100 - 100 - 4.7=100 Peak 183 from nnoeabs.peaks (4.25, 9.55, 122.70 ppm; 2.91 A): 1 out of 5 assignments used, quality = 0.74: * HA VAL 32 + H ASN 33 OK 74 100 - 74 - 3.6=54, 3.2/7447=13...(10) HA GLU 41 - H ASN 33 lone 3 77 - 3 - 4.2/9307=2, 9398/4.4=1 HA GLU 47 - H ASN 33 lone 2 100 - 2 - HA ALA 46 - H ASN 33 lone 1 99 - 1 - HA GLU 52 - H ASN 33 lone 0 92 - 0 - Peak 184 from nnoeabs.peaks (1.78, 9.55, 122.70 ppm; 5.41 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 32 + H ASN 33 OK 100 100 - 100 - 4.4=100 Peak 185 from nnoeabs.peaks (0.87, 9.55, 122.70 ppm; 3.76 A): 1 out of 9 assignments used, quality = 0.91: * QG1 VAL 32 + H ASN 33 OK 91 100 - 91 - 4.4=64, 3.2/183=32...(13) QD1 LEU 14 - H ASN 33 lone 9 96 - 9 - 9319/4.6=2, 10911/4.0=2...(4) QG2 VAL 107 - H ASN 33 lone 7 100 - 7 - 11460/4.4=1, 9319/4.6=1 HG13 ILE 57 - H ASN 33 lone 7 96 - 7 - 1206/4.7=4 QG2 THR 9 - H ASN 33 lone 5 99 - 5 - 9122/2.9=1 QG2 VAL 117 - H ASN 33 lone 4 100 - 4 - QG2 VAL 22 - H ASN 33 lone 1 84 - 2 - QD2 LEU 90 - H ASN 33 lone 1 77 - 1 - QG2 VAL 104 - H ASN 33 lone 1 70 - 1 - Peak 186 from nnoeabs.peaks (0.76, 9.55, 122.70 ppm; 3.81 A): 2 out of 11 assignments used, quality = 0.93: * QG2 VAL 32 + H ASN 33 OK 91 100 - 91 - 4.4=66, 3.2/183=32...(12) QD1 ILE 7 + H ASN 33 OK 23 99 - 23 - 11584/4.4=9, 9075/4.4=8...(5) QG2 ILE 7 - H ASN 33 poor 8 61 - 13 - 11076/4.4=4, 11583/4.4=3 QD2 LEU 14 - H ASN 33 lone 5 100 - 5 - 2.1/185=2 QG1 VAL 107 - H ASN 33 lone 4 100 - 4 - 2.1/185=2 QD1 LEU 45 - H ASN 33 lone 3 94 - 4 - QD1 ILE 15 - H ASN 33 lone 2 100 - 2 - QG2 ILE 54 - H ASN 33 lone 2 70 - 3 - QD2 LEU 80 - H ASN 33 lone 1 84 - 1 - QD1 LEU 80 - H ASN 33 lone 1 87 - 1 - QD1 LEU 82 - H ASN 33 lone 1 77 - 1 - Peak 187 from nnoeabs.peaks (9.55, 7.62, 114.89 ppm; 2.99 A): 1 out of 1 assignment used, quality = 0.64: * H ASN 33 + H ASP 34 OK 64 100 - 64 - 1878=35, 3.6/9322=14...(10) Peak 188 from nnoeabs.peaks (4.98, 7.62, 114.89 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 33 + H ASP 34 OK 100 100 - 100 - 3.6=100 Peak 189 from nnoeabs.peaks (2.91, 7.62, 114.89 ppm; 3.73 A): 2 out of 14 assignments used, quality = 0.97: HB2 ASP 34 + H ASP 34 OK 84 100 - 84 - 4.0=79, 7453/4.5=16...(6) * HB2 ASN 33 + H ASP 34 OK 78 100 - 78 - 4.6=53, 1.8/190=29...(7) HB3 ASN 88 - H ASP 34 lone 4 99 - 4 - 4.2/9325=2 HE3 LYS 16 - H ASP 34 lone 3 100 - 3 - HE2 LYS 16 - H ASP 34 lone 3 100 - 3 - HE3 LYS 115 - H ASP 34 lone 2 100 - 2 - HE2 LYS 115 - H ASP 34 lone 2 100 - 2 - HE3 LYS 65 - H ASP 34 lone 2 98 - 2 - HE2 LYS 65 - H ASP 34 lone 2 98 - 2 - HB2 ASN 8 - H ASP 34 lone 1 61 - 2 - HB2 ASN 10 - H ASP 34 lone 1 99 - 1 - HE3 LYS 17 - H ASP 34 lone 1 92 - 1 - HB2 ASP 86 - H ASP 34 lone 1 70 - 1 - HE3 LYS 94 - H ASP 34 lone 1 97 - 1 - Peak 190 from nnoeabs.peaks (2.69, 7.62, 114.89 ppm; 3.88 A): 1 out of 8 assignments used, quality = 0.76: * HB3 ASN 33 + H ASP 34 OK 76 100 - 76 - 4.6=59, 4.0/187=28, 1.8/189=17 HB3 ASP 110 - H ASP 34 lone 8 96 - 8 - 4.4/9325=2, 3.0/9321=2 HE2 LYS 19 - H ASP 34 lone 2 92 - 2 - HE3 LYS 19 - H ASP 34 lone 2 92 - 2 - HB2 ASN 50 - H ASP 34 lone 1 70 - 2 - HB3 ASN 50 - H ASP 34 lone 1 65 - 2 - HE2 LYS 61 - H ASP 34 lone 1 100 - 1 - HE3 LYS 61 - H ASP 34 lone 1 77 - 1 - Peak 193 from nnoeabs.peaks (7.62, 8.87, 114.38 ppm; 5.73 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 34 + H SER 35 OK 100 100 - 100 - 4.5=100 Peak 194 from nnoeabs.peaks (4.70, 8.87, 114.38 ppm; 3.30 A): 1 out of 6 assignments used, quality = 0.89: * HA ASP 34 + H SER 35 OK 89 100 - 89 - 3.6=79, 3.0/196=25...(5) HA ASN 59 - H SER 35 lone 1 96 - 1 - HA ASN 11 - H SER 35 lone 0 92 - 0 - HA ASP 86 - H SER 35 lone 0 65 - 1 - HA LYS 53 - H SER 35 lone 0 81 - 0 - HA ASN 24 - H SER 35 lone 0 81 - 0 - Peak 195 from nnoeabs.peaks (2.91, 8.87, 114.38 ppm; 3.60 A): 1 out of 14 assignments used, quality = 0.83: * HB2 ASP 34 + H SER 35 OK 83 100 - 83 - 4.5=51, 1.8/196=39...(6) HB2 ASN 33 - H SER 35 lone 9 100 - 9 - 1216/4.5=7, 11451/2024=1 HB3 ASN 88 - H SER 35 lone 2 99 - 2 - 4.2/9330=1 HE3 LYS 16 - H SER 35 lone 1 100 - 1 - HE2 LYS 16 - H SER 35 lone 1 100 - 1 - HE3 LYS 115 - H SER 35 lone 1 100 - 1 - HE2 LYS 115 - H SER 35 lone 1 100 - 1 - HE3 LYS 65 - H SER 35 lone 1 97 - 1 - HE2 LYS 65 - H SER 35 lone 1 97 - 1 - HE3 LYS 17 - H SER 35 lone 1 94 - 1 - HB2 ASN 10 - H SER 35 lone 1 100 - 1 - HE3 LYS 94 - H SER 35 lone 0 96 - 0 - HB2 ASP 86 - H SER 35 lone 0 65 - 1 - HB2 ASN 8 - H SER 35 lone 0 65 - 1 - Peak 196 from nnoeabs.peaks (3.09, 8.87, 114.38 ppm; 3.37 A): 1 out of 1 assignment used, quality = 0.71: * HB3 ASP 34 + H SER 35 OK 71 100 - 71 - 4.5=42, 1.8/195=26...(4) Peak 197 from nnoeabs.peaks (8.87, 8.39, 124.69 ppm; 4.00 A): 1 out of 2 assignments used, quality = 0.89: * H SER 35 + H ASP 36 OK 89 100 - 89 - 4.6=64, 1221/4.4=22...(8) H LEU 82 - H ASP 36 lone 3 99 - 3 - Peak 198 from nnoeabs.peaks (4.05, 8.39, 124.69 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 35 + H ASP 36 OK 100 100 - 100 - 3.6=100 Peak 199 from nnoeabs.peaks (3.92, 8.39, 124.69 ppm; 3.98 A): 2 out of 6 assignments used, quality = 0.91: * HB2 SER 35 + H ASP 36 OK 85 100 - 85 - 4.4=72, 1.8/200=29...(4) HA LEU 38 + H ASP 36 OK 38 96 - 40 - 3.0/2030=14, ~8034=8...(6) HA ILE 97 - H ASP 36 lone 5 61 - 9 - ~8035=3, 3.0/9348=3, ~2035=3 HA LEU 64 - H ASP 36 lone 5 87 - 5 - 3.6/2089=1, 8117=1 HA GLU 128 - H ASP 36 lone 2 90 - 2 - HA MET 121 - H ASP 36 lone 2 87 - 2 - Peak 200 from nnoeabs.peaks (3.95, 8.39, 124.69 ppm; 4.08 A): 2 out of 5 assignments used, quality = 0.92: * HB3 SER 35 + H ASP 36 OK 91 100 - 91 - 4.4=77, 3471/3.6=29...(4) HA MET 67 + H ASP 36 OK 12 100 - 12 - 3.7/4934=3, 3.7/4941=3...(5) HA ILE 97 - H ASP 36 poor 10 90 - 11 - ~8035=3, 3.0/9348=3...(4) HA MET 121 - H ASP 36 lone 1 65 - 2 - HA GLU 21 - H ASP 36 lone 1 81 - 1 - Peak 201 from nnoeabs.peaks (8.39, 9.01, 122.45 ppm; 3.14 A): 1 out of 5 assignments used, quality = 0.75: * H ASP 36 + H GLU 37 OK 75 100 - 75 - 1881=50, 4.0/203=15...(9) H MET 67 - H GLU 37 lone 8 98 - 8 - 2030/4.6=3 H PHE 79 - H GLU 37 lone 4 81 - 6 - 4.6/2028=1, 4.1/9360=1 H ASP 31 - H GLU 37 lone 1 90 - 1 - H LYS 123 - H GLU 37 lone 1 87 - 1 - Peak 202 from nnoeabs.peaks (4.52, 9.01, 122.45 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 36 + H GLU 37 OK 100 100 - 100 - 3.6=100 Peak 203 from nnoeabs.peaks (2.84, 9.01, 122.45 ppm; 3.52 A): 1 out of 5 assignments used, quality = 0.77: * HB2 ASP 36 + H GLU 37 OK 77 100 - 77 - 4.3=54, 1.8/7460=32...(5) HB2 ASN 88 - H GLU 37 lone 2 96 - 2 - HB3 TYR 76 - H GLU 37 lone 2 98 - 2 - HE2 LYS 17 - H GLU 37 lone 1 98 - 1 - HE2 LYS 77 - H GLU 37 lone 0 70 - 0 - Peak 204 from nnoeabs.peaks (2.66, 9.01, 122.45 ppm; 3.58 A): 1 out of 7 assignments used, quality = 0.80: * HB3 ASP 36 + H GLU 37 OK 80 100 - 80 - 4.3=57, 1.8/203=35...(4) HB3 ASP 84 - H GLU 37 lone 4 100 - 4 - 4.1/1882=2 HB2 TYR 76 - H GLU 37 lone 2 100 - 2 - HB3 ASP 110 - H GLU 37 lone 2 61 - 3 - 4.4/1882=2 HG2 MET 42 - H GLU 37 lone 2 98 - 2 - HB2 TYR 27 - H GLU 37 lone 1 100 - 1 - HE3 LYS 61 - H GLU 37 lone 0 87 - 0 - Peak 205 from nnoeabs.peaks (9.01, 8.20, 119.58 ppm; 3.54 A): 1 out of 1 assignment used, quality = 0.77: * H GLU 37 + H LEU 38 OK 77 100 - 77 - 4.6=46, 1229/4.7=13...(12) Peak 206 from nnoeabs.peaks (4.06, 8.20, 119.58 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 37 + H LEU 38 OK 100 100 - 100 - 3.6=100 Peak 207 from nnoeabs.peaks (2.27, 8.20, 119.58 ppm; 4.40 A): 1 out of 9 assignments used, quality = 0.95: * HB2 GLU 37 + H LEU 38 OK 95 100 - 95 - 4.7=85, 3.8/205=32...(9) HG2 GLU 69 - H LEU 38 OK 12 99 - 12 - 1228/4.6=3, 1.8/209=2...(5) HG3 GLU 111 - H LEU 38 lone 8 100 - 7 - 3.0/6597=1, 6615=1...(4) HG2 GLU 111 - H LEU 38 lone 4 65 - 6 - 3.0/6597=1, 3.0/6603=1 HG3 GLU 92 - H LEU 38 lone 3 99 - 3 - HG2 GLU 89 - H LEU 38 lone 3 98 - 3 - HG3 GLU 91 - H LEU 38 lone 2 65 - 2 - HB3 ASN 8 - H LEU 38 lone 1 99 - 1 - HG2 GLU 103 - H LEU 38 lone 1 84 - 1 - Peak 208 from nnoeabs.peaks (2.17, 8.20, 119.58 ppm; 3.70 A): 3 out of 8 assignments used, quality = 0.85: * HB3 GLU 37 + H LEU 38 OK 79 100 - 79 - 4.7=50, 3.8/205=23...(10) HG3 GLU 66 + H LEU 38 OK 17 87 - 20 - 11067/4.4=9, 10989/4.4=5 HB2 MET 42 + H LEU 38 OK 12 73 - 16 - 10989/4.4=6, 9385/4.4=6...(4) HB2 GLU 98 - H LEU 38 lone 10 99 - 9 - 3.0/209=2, 1229/4.6=2...(4) HB2 GLN 85 - H LEU 38 lone 7 100 - 7 - 11404/4.4=3, 10989/4.4=2 HB2 GLN 62 - H LEU 38 lone 2 96 - 3 - HB3 GLN 62 - H LEU 38 lone 2 96 - 3 - HB3 GLU 13 - H LEU 38 lone 1 77 - 1 - Peak 209 from nnoeabs.peaks (2.44, 8.20, 119.58 ppm; 5.69 A): 2 out of 7 assignments used, quality = 0.95: * HG2 GLU 37 + H LEU 38 OK 92 100 - 92 - 4.9/205=38, 3506/4.7=34...(11) HG3 GLU 98 + H LEU 38 OK 35 99 - 35 - 3504/4.6=7, 7464=7...(11) HG3 GLU 41 - H LEU 38 OK 27 70 - 39 - 9404/3.0=8, ~8053=6...(9) HG3 GLU 69 - H LEU 38 OK 20 99 - 20 - 5022/3.6=5, 1.8/207=5...(5) HG2 MET 1 - H LEU 38 OK 13 84 - 16 - 10877/4.4=10, 9391/4.5=2 HG2 GLN 100 - H LEU 38 lone 7 100 - 6 - 4.9/11315=2 HG3 GLU 119 - H LEU 38 lone 2 70 - 3 - Peak 210 from nnoeabs.peaks (2.73, 8.20, 119.58 ppm; 5.47 A): 2 out of 5 assignments used, quality = 0.92: * HG3 GLU 37 + H LEU 38 OK 91 100 - 91 - 3510/4.6=38, 3511/3.6=35...(12) HB2 ASP 60 + H LEU 38 OK 13 97 - 13 - 9681/10957=6...(3) HB3 ASP 109 - H LEU 38 lone 8 100 - 8 - 4.4/1953=2, 10364/9282=1 HB3 ASN 11 - H LEU 38 lone 3 73 - 5 - HE3 LYS 53 - H LEU 38 lone 3 90 - 3 - Peak 211 from nnoeabs.peaks (8.20, 7.83, 118.40 ppm; 3.76 A): 3 out of 8 assignments used, quality = 0.91: * H LEU 38 + H LYS 39 OK 85 100 - 85 - 4.5=57, 3.8/213=15...(16) H LEU 38 + H ILE 97 OK 31 92 - 34 - 1883=12, 4.4/7470=4...(10) H ASP 84 + H LYS 39 OK 12 100 - 12 - 10020/4.8=3, 529/4.6=2...(4) H GLU 111 - H LYS 39 lone 3 92 - 4 - H ASP 84 - H ILE 97 lone 3 91 - 3 - H GLU 111 - H ILE 97 lone 1 80 - 1 - H GLU 89 - H LYS 39 lone 1 65 - 1 - H GLU 89 - H ILE 97 lone 0 55 - 1 - Peak 212 from nnoeabs.peaks (3.91, 7.83, 118.40 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 38 + H LYS 39 OK 100 100 - 100 - 3.6=100 Peak 213 from nnoeabs.peaks (2.11, 7.83, 118.40 ppm; 3.53 A): 2 out of 28 assignments used, quality = 0.84: * HB2 LEU 38 + H LYS 39 OK 80 100 - 80 - 4.6=45, 3.1/217=15...(13) HB2 LEU 38 + H ILE 97 OK 20 92 - 22 - 3.8/1883=5, 3.1/7470=5...(5) HG2 GLU 41 - H LYS 39 lone 4 61 - 6 - 1234/4.5=1, 9300/9279=1 HB VAL 107 - H LYS 39 lone 3 100 - 3 - HG3 GLN 83 - H LYS 39 lone 3 100 - 3 - 7732/4.5=1 HB3 GLU 92 - H ILE 97 lone 2 86 - 2 - HB3 GLU 47 - H ILE 97 lone 1 90 - 2 - HB VAL 107 - H ILE 97 lone 1 91 - 1 - HB2 GLU 91 - H ILE 97 lone 1 77 - 2 - HG2 GLU 41 - H ILE 97 lone 1 51 - 3 - HB2 GLU 91 - H LYS 39 lone 1 90 - 1 - HB3 GLU 92 - H LYS 39 lone 1 97 - 1 - HB3 GLU 47 - H LYS 39 lone 1 99 - 1 - HB2 GLU 111 - H LYS 39 lone 1 77 - 1 - HB3 GLU 119 - H ILE 97 lone 1 92 - 1 - HB2 GLU 119 - H ILE 97 lone 1 91 - 1 - HG3 GLN 83 - H ILE 97 lone 1 91 - 1 - HB2 GLU 21 - H LYS 39 lone 1 100 - 1 - HB2 GLU 119 - H LYS 39 lone 1 100 - 1 - HG2 GLU 21 - H LYS 39 lone 1 96 - 1 - HB3 GLU 119 - H LYS 39 lone 1 100 - 1 - HG2 GLU 21 - H ILE 97 lone 1 84 - 1 - HG3 GLU 21 - H LYS 39 lone 1 92 - 1 - HG3 GLU 21 - H ILE 97 lone 1 80 - 1 - HB2 GLU 21 - H ILE 97 lone 1 91 - 1 - HB2 GLU 111 - H ILE 97 lone 0 65 - 1 - HG2 GLU 52 - H LYS 39 lone 0 81 - 0 - HG2 GLU 52 - H ILE 97 lone 0 68 - 0 - Peak 214 from nnoeabs.peaks (1.46, 7.83, 118.40 ppm; 3.64 A): 2 out of 28 assignments used, quality = 0.98: * HB3 LEU 38 + H LYS 39 OK 86 100 - 86 - 4.6=49, 1.8/213=23...(13) HG2 LYS 39 + H LYS 39 OK 83 99 - 84 - 4.9=40, 1.8/3598=19...(20) HG2 LYS 39 - H ILE 97 OK 32 90 - 36 - 3588=9, 1.8/3598=8...(9) HB3 LEU 38 - H ILE 97 OK 23 92 - 26 - 1.8/213=6, 3.8/1883=5...(6) HB3 LEU 6 - H LYS 39 lone 8 100 - 9 - 1235/4.5=2, 3.1/10959=2...(4) HG12 ILE 7 - H LYS 39 lone 4 100 - 4 - 10930/9279=1, 1235/4.5=1 HG3 LYS 20 - H LYS 39 lone 4 77 - 5 - HG2 LYS 106 - H LYS 39 lone 3 100 - 3 - HG3 LYS 20 - H ILE 97 lone 2 65 - 4 - HG12 ILE 57 - H LYS 39 lone 2 100 - 2 - HG3 LYS 73 - H LYS 39 lone 2 70 - 3 - HG3 LYS 73 - H ILE 97 lone 2 58 - 3 - HB3 LEU 6 - H ILE 97 lone 2 91 - 2 - HG3 ARG 30 - H LYS 39 lone 1 94 - 1 - HG12 ILE 7 - H ILE 97 lone 1 91 - 1 - HG3 LYS 49 - H LYS 39 lone 1 100 - 1 - HG2 LYS 49 - H LYS 39 lone 1 100 - 1 - HG LEU 4 - H LYS 39 lone 1 92 - 1 - HB2 LEU 74 - H LYS 39 lone 1 99 - 1 - HG3 ARG 30 - H ILE 97 lone 1 82 - 1 - HG2 LYS 106 - H ILE 97 lone 1 92 - 1 - HG LEU 4 - H ILE 97 lone 1 80 - 1 - HG12 ILE 57 - H ILE 97 lone 1 92 - 1 - HG3 LYS 49 - H ILE 97 lone 1 91 - 1 - HG2 LYS 49 - H ILE 97 lone 1 91 - 1 - HB2 LEU 74 - H ILE 97 lone 0 89 - 0 - HD2 LYS 53 - H LYS 39 lone 0 61 - 1 - HD2 LYS 53 - H ILE 97 lone 0 51 - 1 - Peak 215 from nnoeabs.peaks (1.52, 7.83, 118.40 ppm; 4.40 A): 2 out of 22 assignments used, quality = 0.94: * HG LEU 38 + H LYS 39 OK 92 100 - 92 - 2.1/217=28, 2.1/7470=24...(13) HG LEU 38 + H ILE 97 OK 32 92 - 35 - 2.1/7470=9, 7469=8...(6) HG LEU 6 - H LYS 39 OK 16 100 - 16 - 3520/3.6=5, 1236/4.5=4...(5) HD3 LYS 94 - H ILE 97 poor 10 62 - 16 - 4.7/8213=13, 3.0/7694=2 HD2 LYS 94 - H ILE 97 poor 10 62 - 16 - 4.7/8213=13, 3.0/7694=2 HB2 LEU 6 - H LYS 39 poor 9 84 - 11 - 3520/3.6=3, 3.1/10959=3...(4) HG2 LYS 43 - H LYS 39 lone 7 96 - 7 - HG2 LYS 20 - H LYS 39 lone 5 77 - 7 - HD3 LYS 94 - H LYS 39 lone 5 73 - 7 - 4.7/8213=4 HD2 LYS 94 - H LYS 39 lone 5 73 - 7 - 4.7/8213=4 HG2 LYS 43 - H ILE 97 lone 5 84 - 6 - HG2 LYS 20 - H ILE 97 lone 3 65 - 5 - HB3 ARG 30 - H ILE 97 lone 3 86 - 3 - 9256/4.8=1, 9257/4.0=1 HG LEU 6 - H ILE 97 lone 2 92 - 3 - QB ALA 124 - H ILE 97 lone 2 58 - 4 - QB ALA 124 - H LYS 39 lone 2 70 - 3 - HB3 ARG 30 - H LYS 39 lone 2 97 - 2 - HD3 LYS 17 - H LYS 39 lone 2 99 - 2 - HB2 LEU 6 - H ILE 97 lone 1 72 - 2 - HD3 LYS 17 - H ILE 97 lone 1 90 - 1 - HB2 LYS 61 - H LYS 39 lone 1 99 - 1 - HB2 LYS 61 - H ILE 97 lone 1 90 - 1 - Peak 216 from nnoeabs.peaks (0.89, 7.83, 118.40 ppm; 3.48 A): 5 out of 14 assignments used, quality = 0.94: * QD2 LEU 38 + H LYS 39 OK 86 100 - 86 - 4.8=39, 9380/3.0=20...(17) QD2 LEU 38 + H ILE 97 OK 26 92 - 28 - 7470=7, 2.1/217=5...(7) QG2 VAL 104 + H ILE 97 OK 25 89 - 28 - 11510/4.7=9, 11508/3.9=8...(5) QG2 VAL 104 + H LYS 39 OK 12 99 - 12 - 9390/3.0=2, 2.1/1650=2...(5) QD2 LEU 90 + H LYS 39 OK 12 97 - 12 - 10976/4.5=3, 3521/3.6=2...(5) QD2 LEU 70 - H ILE 97 poor 9 68 - 14 - 9770/3.0=3, ~9769=3...(6) QD1 LEU 70 - H ILE 97 poor 7 58 - 13 - 9769/3.0=3, ~9770=3...(5) QD1 LEU 90 - H LYS 39 lone 7 81 - 9 - 11577/4.5=2, 3521/3.6=2...(4) QG2 VAL 29 - H LYS 39 lone 4 97 - 4 - QD2 LEU 90 - H ILE 97 lone 2 86 - 2 - QG2 VAL 29 - H ILE 97 lone 1 86 - 2 - QD1 LEU 90 - H ILE 97 lone 1 68 - 2 - QD2 LEU 70 - H LYS 39 lone 1 81 - 2 - QD1 LEU 70 - H LYS 39 lone 1 70 - 1 - Peak 217 from nnoeabs.peaks (0.96, 7.83, 118.40 ppm; 3.96 A): 2 out of 10 assignments used, quality = 0.94: * QD1 LEU 38 + H LYS 39 OK 92 100 - 92 - 4.8=57, 3522/3.6=25...(14) QD1 LEU 38 + H ILE 97 OK 24 92 - 26 - 2.1/7470=8, 2.1/7469=6...(5) QD1 ILE 3 - H LYS 39 lone 7 97 - 8 - 10656/4.6=3, 9014/3.6=2 HG13 ILE 56 - H LYS 39 lone 5 99 - 5 - 3522/3.6=1, 10949/10960=1 QD1 ILE 3 - H ILE 97 lone 3 86 - 3 - HG13 ILE 56 - H ILE 97 lone 2 90 - 2 - HD3 LYS 2 - H LYS 39 lone 1 100 - 1 - HG13 ILE 116 - H LYS 39 lone 1 96 - 1 - HG13 ILE 116 - H ILE 97 lone 1 84 - 1 - HD3 LYS 2 - H ILE 97 lone 1 91 - 1 - Peak 218 from nnoeabs.peaks (7.83, 7.78, 119.27 ppm; 2.55 A): 2 out of 5 assignments used, quality = 0.57: * H LYS 39 + H LYS 40 OK 41 100 - 41 - 4.7=17, 4.0/7474=5...(10) H ILE 97 + H LYS 40 OK 27 100 - 27 - 1884=9, 3.6/2040=6...(8) H VAL 78 - H LYS 40 lone 2 100 - 2 - H TYR 27 - H LYS 40 lone 1 73 - 1 - HE21 GLN 62 - H LYS 40 lone 0 65 - 0 - Peak 219 from nnoeabs.peaks (3.84, 7.78, 119.27 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + H LYS 40 OK 100 100 - 100 - 3.6=100 Peak 220 from nnoeabs.peaks (1.93, 7.78, 119.27 ppm; 2.76 A): 5 out of 20 assignments used, quality = 0.94: HB3 LYS 40 + H LYS 40 OK 65 90 - 73 - 4.0=32, 1.8/3658=17...(17) * HB2 LYS 39 + H LYS 40 OK 57 100 - 57 - 4.3=27, 1.8/7474=13...(11) HB3 LYS 39 + H LYS 40 OK 46 81 - 57 - 4.3=27, 1.8/7473=12...(11) HB3 GLU 41 + H LYS 40 OK 12 77 - 15 - 4.0/1885=11, 3651/3.0=1 HB2 GLU 41 + H LYS 40 OK 11 73 - 15 - 4.0/1885=11, 3651/3.0=1 HB2 LYS 123 - H LYS 40 lone 4 100 - 4 - HB3 MET 42 - H LYS 40 lone 4 73 - 5 - 8060/3.6=2, 3651/3.0=1 HB VAL 104 - H LYS 40 lone 3 87 - 3 - 2.1/9392=1 HB3 LYS 115 - H LYS 40 lone 3 100 - 2 - HB2 LYS 115 - H LYS 40 lone 2 98 - 2 - HB2 LYS 65 - H LYS 40 lone 2 100 - 2 - HB3 LYS 65 - H LYS 40 lone 2 100 - 2 - HB VAL 29 - H LYS 40 lone 1 61 - 1 - HB3 LYS 17 - H LYS 40 lone 1 87 - 1 - HB2 LEU 127 - H LYS 40 lone 1 100 - 1 - HB2 LEU 70 - H LYS 40 lone 1 96 - 1 - HB2 LEU 81 - H LYS 40 lone 0 77 - 0 - HB ILE 15 - H LYS 40 lone 0 61 - 0 - HB3 GLU 52 - H LYS 40 lone 0 65 - 0 - HG2 MET 121 - H LYS 40 lone 0 70 - 0 - Peak 221 from nnoeabs.peaks (1.95, 7.78, 119.27 ppm; 2.67 A): 5 out of 16 assignments used, quality = 0.94: HB3 LYS 40 + H LYS 40 OK 69 100 - 70 - 4.0=29, 1.8/3658=16...(16) * HB3 LYS 39 + H LYS 40 OK 53 100 - 53 - 4.3=24, 1.8/7473=11...(11) HB2 LYS 39 + H LYS 40 OK 43 81 - 53 - 4.3=24, 1.8/7474=12...(10) HB3 GLU 41 + H LYS 40 OK 14 100 - 14 - 4.0/1885=10, 3651/3.0=1 HB2 GLU 41 + H LYS 40 OK 14 100 - 14 - 4.0/1885=10, 3651/3.0=1 HB3 MET 42 - H LYS 40 lone 6 100 - 6 - 8060/3.6=2, 3651/3.0=1 HB VAL 104 - H LYS 40 lone 3 100 - 3 - 2.1/9392=1 HB2 LYS 123 - H LYS 40 lone 3 81 - 3 - HB3 LYS 115 - H LYS 40 lone 2 81 - 2 - HB VAL 29 - H LYS 40 lone 1 99 - 1 - HB3 GLU 128 - H LYS 40 lone 1 98 - 1 - HB2 LYS 65 - H LYS 40 lone 1 81 - 2 - HB3 LYS 65 - H LYS 40 lone 1 77 - 2 - HB2 LEU 70 - H LYS 40 lone 1 98 - 1 - HB2 LEU 127 - H LYS 40 lone 1 77 - 1 - HB3 GLU 52 - H LYS 40 lone 0 99 - 0 - Peak 222 from nnoeabs.peaks (1.46, 7.78, 119.27 ppm; 4.42 A): 3 out of 15 assignments used, quality = 0.96: * HG2 LYS 39 + H LYS 40 OK 81 100 - 81 - 7475=23, 2.9/7474=19...(19) HB3 LEU 38 + H LYS 40 OK 61 99 - 61 - 4.6/218=19, 3.8/2039=18...(7) HG2 LYS 96 + H LYS 40 OK 44 70 - 64 - 4.0/2040=16, 2.9/6091=15...(18) HG3 LYS 44 - H LYS 40 OK 17 61 - 27 - 4.2/2040=6, 6101=3...(13) HG3 LYS 20 - H LYS 40 poor 7 61 - 12 - 3.9/1257=1, 3.9/1257=1 HB3 LEU 6 - H LYS 40 lone 3 100 - 3 - HG2 LYS 106 - H LYS 40 lone 3 100 - 3 - HG12 ILE 7 - H LYS 40 lone 2 100 - 2 - HG LEU 80 - H LYS 40 lone 2 73 - 3 - HG3 LYS 49 - H LYS 40 lone 2 100 - 2 - HG2 LYS 49 - H LYS 40 lone 2 100 - 2 - HG12 ILE 57 - H LYS 40 lone 2 100 - 2 - HG3 ARG 30 - H LYS 40 lone 1 99 - 1 - HG LEU 4 - H LYS 40 lone 1 98 - 1 - HB2 LEU 74 - H LYS 40 lone 1 94 - 1 - Peak 223 from nnoeabs.peaks (1.70, 7.78, 119.27 ppm; 3.60 A): 5 out of 24 assignments used, quality = 0.98: * HG3 LYS 39 + H LYS 40 OK 63 100 - 63 - 2.9/7474=15, 2.9/7473=14...(13) HD3 LYS 39 + H LYS 40 OK 56 98 - 57 - 3.5/7474=12, 3.5/7473=12...(11) HD2 LYS 40 + H LYS 40 OK 56 70 - 80 - 3.6/1251=22, 2.9/1254=21...(18) HD2 LYS 39 + H LYS 40 OK 55 97 - 57 - 3.5/7474=12, 3.5/7473=12...(11) HD3 LYS 40 + H LYS 40 OK 52 65 - 80 - 3.6/1251=22, 2.9/1254=21...(18) HD3 LYS 96 - H LYS 40 OK 30 73 - 40 - 3.4/6091=9, 5.3/2040=6...(14) HD3 LYS 16 - H LYS 40 OK 28 92 - 31 - 2.9/1254=6, 2.9/1253=4...(15) HD2 LYS 96 - H LYS 40 OK 26 65 - 40 - 3.4/6091=9, 5.3/2040=6...(14) HD2 LYS 16 - H LYS 40 OK 26 84 - 31 - 2.9/1254=6, 2.9/1253=4...(15) HD2 LYS 44 - H LYS 40 OK 17 100 - 17 - 5.4/2040=3, 2.9/6101=2...(7) HD3 LYS 43 - H LYS 40 OK 17 77 - 23 - 2.9/1253=5, ~3652=2...(11) HD3 LYS 44 - H LYS 40 OK 17 99 - 17 - 5.4/2040=3, 2.9/6101=2...(7) HD2 LYS 20 - H LYS 40 poor 10 90 - 11 - HD3 LYS 20 - H LYS 40 poor 9 87 - 11 - HG3 LYS 123 - H LYS 40 lone 7 100 - 7 - 7476=1 HD2 LYS 73 - H LYS 40 lone 6 81 - 7 - HD3 LYS 73 - H LYS 40 lone 6 77 - 7 - HD2 LYS 17 - H LYS 40 lone 2 65 - 3 - HG12 ILE 71 - H LYS 40 lone 1 99 - 1 - HB3 LYS 106 - H LYS 40 lone 1 73 - 1 - HB2 LYS 106 - H LYS 40 lone 1 65 - 1 - HG LEU 74 - H LYS 40 lone 1 99 - 1 - HB ILE 56 - H LYS 40 lone 1 92 - 1 - HB ILE 54 - H LYS 40 lone 1 70 - 1 - Peak 228 from nnoeabs.peaks (7.78, 8.72, 119.65 ppm; 3.27 A): 2 out of 2 assignments used, quality = 0.77: * H LYS 40 + H GLU 41 OK 70 100 - 70 - 1885=42, 4.0/230=15...(15) H LYS 96 + H GLU 41 OK 23 97 - 24 - 2.9/2046=6, 3658/4.6=5...(6) Peak 229 from nnoeabs.peaks (4.02, 8.72, 119.65 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 40 + H GLU 41 OK 100 100 - 100 - 3.6=100 Peak 230 from nnoeabs.peaks (1.99, 8.72, 119.65 ppm; 3.08 A): 2 out of 6 assignments used, quality = 0.68: * HB2 LYS 40 + H GLU 41 OK 64 100 - 64 - 4.6=30, 3650/3.6=16...(8) HB3 LYS 96 + H GLU 41 OK 12 61 - 19 - 3.0/2046=5, 4.1/228=4...(4) HB2 LYS 17 - H GLU 41 lone 3 100 - 3 - 4.6/1886=1, 3650/3.6=1 HB3 GLU 103 - H GLU 41 lone 1 100 - 1 - HB VAL 22 - H GLU 41 lone 1 98 - 1 - HB3 GLU 21 - H GLU 41 lone 0 70 - 1 - Peak 231 from nnoeabs.peaks (1.95, 8.72, 119.65 ppm; 2.93 A): 3 out of 17 assignments used, quality = 0.94: * HB3 LYS 40 + H GLU 41 OK 63 100 - 63 - 4.6=26, 1.8/230=25...(8) HB3 GLU 41 + H GLU 41 OK 61 99 - 61 - 4.0=38, 3.0/1264=16...(5) HB2 GLU 41 + H GLU 41 OK 60 99 - 61 - 4.0=38, 3.0/1264=16...(5) HB3 MET 42 - H GLU 41 OK 21 99 - 21 - 3.9/238=13, 4.6/2047=6 HB3 LYS 39 - H GLU 41 OK 20 100 - 20 - 4.3/1885=12, 3.0/8055=4 HB2 LYS 39 - H GLU 41 OK 18 90 - 20 - 4.3/1885=12, 3.0/8055=4 HB2 LYS 123 - H GLU 41 lone 3 90 - 3 - HB VAL 29 - H GLU 41 lone 2 96 - 2 - HB3 GLU 128 - H GLU 41 lone 2 94 - 2 - HB2 LYS 65 - H GLU 41 lone 2 90 - 2 - HB3 LYS 65 - H GLU 41 lone 2 87 - 2 - HB3 LYS 115 - H GLU 41 lone 1 90 - 1 - HB2 LEU 70 - H GLU 41 lone 1 100 - 1 - HB VAL 104 - H GLU 41 lone 1 100 - 1 - HB2 LYS 115 - H GLU 41 lone 1 70 - 1 - HB2 LEU 127 - H GLU 41 lone 0 87 - 0 - HB3 GLU 52 - H GLU 41 lone 0 97 - 0 - Peak 232 from nnoeabs.peaks (1.38, 8.72, 119.65 ppm; 5.20 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 40 + H GLU 41 OK 100 100 - 100 - 5.0=100 Peak 233 from nnoeabs.peaks (1.62, 8.72, 119.65 ppm; 4.73 A): 1 out of 10 assignments used, quality = 0.98: * HG3 LYS 40 + H GLU 41 OK 98 100 - 98 - 5.0=87, 2.7/230=38...(9) HG2 LYS 16 - H GLU 41 OK 28 97 - 29 - 11424/3.6=10, 1254/4.6=6...(5) HG LEU 63 - H GLU 41 OK 10 100 - 10 - 2.1/9394=6, ~9398=2, 1254/4.6=1 HB3 LEU 64 - H GLU 41 lone 4 94 - 4 - 3.0/2045=3 HB2 LEU 82 - H GLU 41 lone 2 100 - 2 - HD3 LYS 77 - H GLU 41 lone 2 100 - 2 - HD2 LYS 77 - H GLU 41 lone 2 99 - 2 - HB3 LEU 127 - H GLU 41 lone 2 97 - 2 - HB ILE 116 - H GLU 41 lone 1 92 - 2 - HG LEU 90 - H GLU 41 lone 1 61 - 2 - Peak 235 from nnoeabs.peaks (1.68, 8.72, 119.65 ppm; 4.73 A): 2 out of 19 assignments used, quality = 0.96: HD2 LYS 40 + H GLU 41 OK 81 100 - 81 - 3.6/230=33, 3.6/7483=23...(10) * HD3 LYS 40 + H GLU 41 OK 80 100 - 81 - 3.6/230=33, 3.6/7483=23...(10) HD2 LYS 16 - H GLU 41 OK 37 99 - 38 - 2.9/233=6, 7486=6...(12) HD3 LYS 16 - H GLU 41 OK 35 96 - 37 - 2.9/233=6, 7486=5...(12) HD3 LYS 96 - H GLU 41 OK 33 100 - 33 - 5.3/2046=7, 3.4/230=6...(12) HD2 LYS 96 - H GLU 41 OK 33 100 - 33 - 5.3/2046=7, 3.4/230=6...(12) HD3 LYS 43 - H GLU 41 OK 27 100 - 28 - 5.9/2047=16, 3655/3.6=3...(8) HD2 LYS 43 - H GLU 41 OK 27 100 - 27 - 5.9/2047=16, 3655/3.6=3...(8) HG3 LYS 39 - H GLU 41 OK 21 65 - 33 - 3.8/8055=16, 7476/4.6=7...(5) HG3 ARG 95 - H GLU 41 OK 14 99 - 14 - 7792/4.6=7, 7792/228=2 HB ILE 54 - H GLU 41 OK 10 100 - 10 - 2.1/9394=6, ~9398=3, 9396/3.0=1 HD3 LYS 20 - H GLU 41 lone 9 98 - 9 - 3870/2047=1, 3665/4.6=1...(4) HD2 LYS 20 - H GLU 41 lone 9 97 - 9 - 3870/2047=1, 3664/4.6=1...(4) HD3 LYS 73 - H GLU 41 lone 8 100 - 8 - 3665/4.6=1 HD2 LYS 73 - H GLU 41 lone 8 99 - 8 - 3665/4.6=1 HD2 LYS 17 - H GLU 41 lone 7 100 - 7 - 2862/4.6=2, 3.7/230=2 HG3 LYS 123 - H GLU 41 lone 5 65 - 7 - ~9397=1, 2.9/7483=1 HB ILE 56 - H GLU 41 lone 1 96 - 2 - HG12 ILE 71 - H GLU 41 lone 1 84 - 2 - Peak 238 from nnoeabs.peaks (8.72, 8.78, 118.11 ppm; 3.62 A): 1 out of 3 assignments used, quality = 0.74: * H GLU 41 + H MET 42 OK 74 100 - 74 - 4.6=48, 2047/4.7=11...(12) H ARG 105 - H MET 42 lone 3 73 - 4 - H ASN 50 - H MET 42 lone 1 100 - 1 - Peak 239 from nnoeabs.peaks (4.26, 8.78, 118.11 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 41 + H MET 42 OK 100 100 - 100 - 3.6=100 Peak 240 from nnoeabs.peaks (1.95, 8.78, 118.11 ppm; 3.30 A): 3 out of 16 assignments used, quality = 0.97: HB3 MET 42 + H MET 42 OK 85 100 - 85 - 3.9=58, 1.8/1267=25...(8) * HB2 GLU 41 + H MET 42 OK 55 100 - 55 - 4.7=36, 4.0/238=16...(5) HB3 GLU 41 + H MET 42 OK 55 100 - 55 - 4.7=36, 4.0/238=16...(5) HB3 LYS 40 - H MET 42 OK 37 99 - 37 - 4.6/238=13, 3329=10...(5) HB3 LYS 39 - H MET 42 OK 23 100 - 23 - 3.0/8056=14, 4.3/11316=8...(4) HB2 LYS 39 - H MET 42 OK 17 73 - 23 - 3.0/8056=14, 4.3/11316=8 HB2 LEU 70 - H MET 42 OK 13 96 - 14 - 3.1/9413=7, 3.1/9413=5 HB VAL 29 - H MET 42 lone 3 100 - 3 - 2.1/3334=1 HB VAL 104 - H MET 42 lone 3 99 - 3 - HB2 LYS 65 - H MET 42 lone 2 73 - 3 - 4.7/11316=2 HB3 LYS 65 - H MET 42 lone 2 70 - 3 - 4.7/11316=2 HB3 GLU 128 - H MET 42 lone 2 99 - 1 - HB2 LYS 123 - H MET 42 lone 1 73 - 2 - HB3 LYS 115 - H MET 42 lone 1 73 - 1 - HB3 GLU 52 - H MET 42 lone 0 100 - 0 - HB2 LEU 127 - H MET 42 lone 0 70 - 0 - Peak 241 from nnoeabs.peaks (1.95, 8.78, 118.11 ppm; 3.30 A): 3 out of 16 assignments used, quality = 0.97: HB3 MET 42 + H MET 42 OK 85 100 - 85 - 3.9=58, 1.8/1267=25...(8) * HB3 GLU 41 + H MET 42 OK 55 100 - 55 - 4.7=36, 4.0/238=16...(5) HB2 GLU 41 + H MET 42 OK 55 100 - 55 - 4.7=36, 4.0/238=16...(5) HB3 LYS 40 - H MET 42 OK 37 99 - 37 - 4.6/238=13, 3329=10...(5) HB3 LYS 39 - H MET 42 OK 23 100 - 23 - 3.0/8056=14, 4.3/11316=8...(4) HB2 LYS 39 - H MET 42 OK 17 77 - 23 - 3.0/8056=14, 4.3/11316=8 HB2 LEU 70 - H MET 42 OK 13 97 - 14 - 3.1/9413=7, 3.1/9413=5 HB VAL 29 - H MET 42 lone 3 99 - 3 - 2.1/3334=1 HB VAL 104 - H MET 42 lone 3 100 - 3 - HB2 LYS 65 - H MET 42 lone 2 77 - 3 - 4.7/11316=2 HB3 LYS 65 - H MET 42 lone 2 73 - 3 - 4.7/11316=2 HB3 GLU 128 - H MET 42 lone 2 99 - 1 - HB2 LYS 123 - H MET 42 lone 1 77 - 2 - HB3 LYS 115 - H MET 42 lone 1 77 - 1 - HB3 GLU 52 - H MET 42 lone 0 100 - 0 - HB2 LEU 127 - H MET 42 lone 0 73 - 0 - Peak 242 from nnoeabs.peaks (2.13, 8.78, 118.11 ppm; 4.99 A): 2 out of 8 assignments used, quality = 0.74: * HG2 GLU 41 + H MET 42 OK 63 100 - 63 - 4.9/238=29, 7493=21...(5) HB2 LEU 38 + H MET 42 OK 30 61 - 49 - 3.1/9412=24, 2.9/8054=22...(4) HB2 GLU 119 - H MET 42 lone 6 73 - 9 - 3.0/8062=4, 3.0/243=3 HB3 GLU 119 - H MET 42 lone 5 61 - 8 - 3.0/8062=4, 3.0/243=3 HB VAL 107 - H MET 42 lone 3 70 - 4 - ~9415=1, 2.1/9414=1 HG3 GLN 83 - H MET 42 lone 2 73 - 3 - HB2 GLU 91 - H MET 42 lone 1 96 - 1 - HB2 GLU 21 - H MET 42 lone 1 70 - 1 - Peak 243 from nnoeabs.peaks (2.46, 8.78, 118.11 ppm; 6.20 A): 2 out of 7 assignments used, quality = 0.75: * HG3 GLU 41 + H MET 42 OK 71 100 - 71 - 4.9/238=40, 1.8/7493=34...(7) HG3 GLU 119 + H MET 42 OK 13 100 - 13 - 4.1/8062=4, 3.0/242=3...(4) HB2 TYR 102 - H MET 42 lone 4 84 - 5 - 1.8/1270=2 HG2 GLU 37 - H MET 42 lone 3 70 - 5 - 1264/4.6=1 HB2 ASP 31 - H MET 42 lone 2 96 - 2 - HB3 ASP 31 - H MET 42 lone 2 94 - 2 - HG2 GLN 100 - H MET 42 lone 2 65 - 2 - Peak 244 from nnoeabs.peaks (8.78, 7.50, 120.74 ppm; 3.36 A): 1 out of 5 assignments used, quality = 0.76: * H MET 42 + H LYS 43 OK 76 100 - 76 - 1887=47, 3.9/246=14...(13) H VAL 29 - H LYS 43 lone 8 100 - 8 - 162/4.6=2, 1188/4.6=2 H ILE 18 - H LYS 43 lone 3 98 - 3 - H ILE 5 - H LYS 43 lone 1 81 - 1 - H ASN 59 - H LYS 43 lone 1 77 - 1 - Peak 245 from nnoeabs.peaks (4.38, 7.50, 120.74 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 42 + H LYS 43 OK 100 100 - 100 - 3.6=100 Peak 246 from nnoeabs.peaks (2.19, 7.50, 120.74 ppm; 4.07 A): 1 out of 11 assignments used, quality = 0.87: * HB2 MET 42 + H LYS 43 OK 87 100 - 87 - 4.6=68, 3.9/1887=28...(6) HG3 GLU 66 - H LYS 43 lone 4 99 - 4 - 3.7/2055=1, 1267/4.7=1 HB2 MET 67 - H LYS 43 lone 2 87 - 2 - 1267/4.7=1 HB2 GLU 69 - H LYS 43 lone 2 92 - 2 - HG3 GLN 28 - H LYS 43 lone 1 90 - 1 - HB3 MET 1 - H LYS 43 lone 1 97 - 1 - HB3 GLU 37 - H LYS 43 lone 1 73 - 1 - HB2 GLU 98 - H LYS 43 lone 1 87 - 1 - HG2 GLU 48 - H LYS 43 lone 1 90 - 1 - HB2 GLN 85 - H LYS 43 lone 1 65 - 1 - HB2 GLN 100 - H LYS 43 lone 1 61 - 1 - Peak 247 from nnoeabs.peaks (1.95, 7.50, 120.74 ppm; 2.92 A): 5 out of 16 assignments used, quality = 0.81: * HB3 MET 42 + H LYS 43 OK 53 100 - 53 - 4.6=25, 1.8/246=15...(6) HB3 LYS 40 + H LYS 43 OK 27 99 - 27 - 3.0/8063=12, 4.6/2047=6...(6) HB3 GLU 41 + H LYS 43 OK 20 100 - 20 - 4.7/1887=11, 4.0/2047=7 HB2 GLU 41 + H LYS 43 OK 20 100 - 20 - 4.7/1887=11, 4.0/2047=7 HB3 LYS 39 + H LYS 43 OK 12 100 - 12 - 3.0/8061=8 HB2 LYS 39 - H LYS 43 poor 8 73 - 11 - 3.0/8061=8 HB VAL 29 - H LYS 43 lone 2 100 - 2 - 3.8/244=1 HB2 LYS 123 - H LYS 43 lone 2 73 - 2 - HB2 LEU 70 - H LYS 43 lone 1 96 - 1 - HB VAL 104 - H LYS 43 lone 1 99 - 1 - HB2 LYS 65 - H LYS 43 lone 1 73 - 1 - HB3 LYS 65 - H LYS 43 lone 1 70 - 1 - HB3 GLU 128 - H LYS 43 lone 0 99 - 0 - HB3 LYS 115 - H LYS 43 lone 0 73 - 1 - HB3 GLU 52 - H LYS 43 lone 0 100 - 0 - HB2 LEU 127 - H LYS 43 lone 0 70 - 0 - Peak 248 from nnoeabs.peaks (2.66, 7.50, 120.74 ppm; 5.47 A): 1 out of 8 assignments used, quality = 0.80: * HG2 MET 42 + H LYS 43 OK 80 100 - 80 - 3.0/246=39, 5.0/1887=36...(6) HB3 ASP 36 - H LYS 43 lone 6 98 - 6 - 11036/8061=3, 1269/4.7=1 HB3 ASP 84 - H LYS 43 lone 3 96 - 3 - 1269/4.7=1 HB2 ASP 12 - H LYS 43 lone 2 81 - 3 - 3.0/2053=1 HB3 ASP 12 - H LYS 43 lone 2 81 - 3 - 3.0/2053=1 HB2 TYR 76 - H LYS 43 lone 2 96 - 2 - HB2 TYR 27 - H LYS 43 lone 2 97 - 2 - HE3 LYS 61 - H LYS 43 lone 1 65 - 2 - Peak 249 from nnoeabs.peaks (2.76, 7.50, 120.74 ppm; 6.08 A): 1 out of 4 assignments used, quality = 0.86: * HG3 MET 42 + H LYS 43 OK 86 100 - 86 - 3.0/246=42, 5.0/1887=42...(6) HB3 TYR 102 - H LYS 43 lone 5 92 - 5 - 11037/8061=2, 1270/4.7=1 HE2 LYS 2 - H LYS 43 lone 4 100 - 4 - 1270/4.7=2 HB3 ASN 11 - H LYS 43 lone 2 70 - 3 - Peak 251 from nnoeabs.peaks (7.50, 7.45, 118.27 ppm; 3.09 A): 1 out of 1 assignment used, quality = 0.74: * H LYS 43 + H LYS 44 OK 74 100 - 74 - 1888=50, 3.0/252=20...(11) Peak 252 from nnoeabs.peaks (4.09, 7.45, 118.27 ppm; 3.39 A): 1 out of 5 assignments used, quality = 0.93: * HA LYS 43 + H LYS 44 OK 93 100 - 93 - 3.6=85, 3.0/1888=31...(10) HA LYS 20 - H LYS 44 lone 5 100 - 5 - HA GLU 91 - H LYS 44 lone 1 77 - 2 - HA ASP 110 - H LYS 44 lone 1 97 - 1 - HA GLN 62 - H LYS 44 lone 0 70 - 1 - Peak 253 from nnoeabs.peaks (1.91, 7.45, 118.27 ppm; 2.72 A): 4 out of 20 assignments used, quality = 0.97: HB3 LYS 44 + H LYS 44 OK 66 100 - 66 - 4.0=30, 2.9/1286=9...(23) HB2 LYS 44 + H LYS 44 OK 66 99 - 66 - 4.0=30, 2.9/1286=9...(23) * HB2 LYS 43 + H LYS 44 OK 52 100 - 52 - 4.7=20, 3.0/252=15...(7) HB3 LYS 43 + H LYS 44 OK 51 98 - 52 - 4.7=20, 3.0/252=15...(7) HB2 LYS 96 - H LYS 44 OK 23 98 - 23 - 2.9/1286=5, 2.9/1287=4...(6) HB2 LEU 45 - H LYS 44 OK 19 100 - 20 - 4.0/261=12, 4.3/2062=5 HB2 ARG 95 - H LYS 44 lone 6 92 - 7 - 6023/4.6=3, 3.9/1889=2 HB3 LYS 123 - H LYS 44 lone 5 97 - 5 - 2.9/1286=1 HB2 LYS 73 - H LYS 44 lone 5 87 - 5 - HB3 LYS 73 - H LYS 44 lone 4 84 - 5 - HB2 LYS 20 - H LYS 44 lone 4 70 - 5 - 3813/3.6=1 HB3 LYS 20 - H LYS 44 lone 4 70 - 5 - 3813/3.6=1 HB2 GLU 128 - H LYS 44 lone 1 98 - 1 - HB ILE 71 - H LYS 44 lone 1 90 - 1 - HB ILE 15 - H LYS 44 lone 1 96 - 1 - HB3 LYS 17 - H LYS 44 lone 1 77 - 1 - HB2 LEU 81 - H LYS 44 lone 0 87 - 0 - HB ILE 7 - H LYS 44 lone 0 77 - 0 - HB2 LYS 49 - H LYS 44 lone 0 96 - 0 - HG2 MET 121 - H LYS 44 lone 0 92 - 0 - Peak 254 from nnoeabs.peaks (1.90, 7.45, 118.27 ppm; 2.72 A): 4 out of 20 assignments used, quality = 0.97: HB3 LYS 44 + H LYS 44 OK 66 99 - 66 - 4.0=30, 2.9/1286=9...(23) HB2 LYS 44 + H LYS 44 OK 61 92 - 66 - 4.0=30, 2.9/1286=9...(23) * HB3 LYS 43 + H LYS 44 OK 52 100 - 52 - 4.7=20, 3.0/252=15...(7) HB2 LYS 43 + H LYS 44 OK 51 98 - 52 - 4.7=20, 3.0/252=15...(7) HB2 LYS 96 - H LYS 44 OK 23 100 - 23 - 2.9/1286=5, 2.9/1287=4...(6) HB2 LEU 45 - H LYS 44 OK 19 100 - 19 - 4.0/261=12, 4.3/2062=5 HG LEU 45 - H LYS 44 poor 9 61 - 14 - 5.0/261=8, 4.9/2062=4 HB2 ARG 95 - H LYS 44 lone 7 99 - 7 - 6023/4.6=3, 3.9/1889=2 HB2 LYS 73 - H LYS 44 lone 5 98 - 5 - HB3 LYS 73 - H LYS 44 lone 5 97 - 5 - HB2 LYS 20 - H LYS 44 lone 5 90 - 5 - 3813/3.6=1 HB3 LYS 20 - H LYS 44 lone 5 90 - 5 - 3813/3.6=1 HB3 LYS 123 - H LYS 44 lone 4 84 - 5 - 2.9/1286=1 HB2 GLU 128 - H LYS 44 lone 1 100 - 1 - HB ILE 71 - H LYS 44 lone 1 99 - 1 - HB ILE 15 - H LYS 44 lone 0 81 - 1 - HB ILE 7 - H LYS 44 lone 0 94 - 0 - HB2 LYS 49 - H LYS 44 lone 0 100 - 0 - HB2 LEU 81 - H LYS 44 lone 0 65 - 0 - HG2 MET 121 - H LYS 44 lone 0 73 - 0 - Peak 256 from nnoeabs.peaks (1.37, 7.45, 118.27 ppm; 4.37 A): 3 out of 7 assignments used, quality = 0.80: * HG3 LYS 43 + H LYS 44 OK 69 100 - 69 - 3.9/252=30, 4.9/1888=27...(11) HG2 LYS 40 + H LYS 44 OK 21 94 - 23 - 1277/4.6=6, 7505=5...(6) HG2 LYS 94 + H LYS 44 OK 19 100 - 19 - 3815/3.6=5, 7505=4...(7) HB3 LEU 68 - H LYS 44 lone 6 90 - 7 - 4.6/2062=4 HG LEU 14 - H LYS 44 lone 3 96 - 3 - 3815/3.6=2, 1277/4.6=1 HB3 LEU 81 - H LYS 44 lone 1 81 - 1 - HG2 LYS 77 - H LYS 44 lone 1 77 - 1 - Peak 261 from nnoeabs.peaks (7.45, 8.16, 117.78 ppm; 3.35 A): 1 out of 1 assignment used, quality = 0.66: * H LYS 44 + H LEU 45 OK 66 100 - 66 - 1889=42, 4.6/11317=8...(15) Peak 262 from nnoeabs.peaks (4.06, 8.16, 117.78 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 44 + H LEU 45 OK 100 100 - 100 - 3.6=100 Peak 263 from nnoeabs.peaks (1.91, 8.16, 117.78 ppm; 2.72 A): 4 out of 19 assignments used, quality = 0.92: HB2 LEU 45 + H LEU 45 OK 66 97 - 68 - 4.0=30, 1.8/1295=15...(12) * HB2 LYS 44 + H LEU 45 OK 46 100 - 46 - 4.7=20, 4.0/261=12...(8) HB3 LYS 44 + H LEU 45 OK 45 99 - 46 - 4.7=20, 4.0/261=12...(8) HB2 ARG 95 + H LEU 45 OK 24 81 - 30 - 1.8/6031=6, 3.0/6039=5...(12) HB2 LYS 43 - H LEU 45 OK 24 99 - 24 - 4.7/261=9, 4.0/11317=5...(7) HB3 LYS 43 - H LEU 45 OK 21 92 - 23 - 4.7/261=9, 4.0/11317=5...(7) HB2 LYS 96 - H LEU 45 OK 15 92 - 17 - 2.9/266=3, 4.1/603=3...(6) HB2 LYS 73 - H LEU 45 poor 9 73 - 12 - 2.9/1295=2, 2.9/265=2 HB3 LYS 73 - H LEU 45 poor 8 70 - 12 - 2.9/1295=2, 2.9/265=2 HB3 LYS 123 - H LEU 45 lone 3 100 - 3 - HB ILE 71 - H LEU 45 lone 1 77 - 2 - HB2 GLU 128 - H LEU 45 lone 1 92 - 1 - HB ILE 15 - H LEU 45 lone 1 99 - 1 - HB ILE 7 - H LEU 45 lone 1 61 - 1 - HB2 LEU 81 - H LEU 45 lone 1 96 - 1 - HG2 MET 121 - H LEU 45 lone 0 98 - 0 - HB3 LYS 17 - H LEU 45 lone 0 90 - 0 - HB2 LYS 49 - H LEU 45 lone 0 87 - 0 - HB2 LYS 115 - H LEU 45 lone 0 70 - 0 - Peak 264 from nnoeabs.peaks (1.91, 8.16, 117.78 ppm; 2.72 A): 4 out of 20 assignments used, quality = 0.94: HB2 LEU 45 + H LEU 45 OK 68 100 - 68 - 4.0=30, 1.8/1295=15...(12) * HB3 LYS 44 + H LEU 45 OK 46 100 - 46 - 4.7=20, 4.0/261=12...(8) HB2 LYS 44 + H LEU 45 OK 46 99 - 46 - 4.7=20, 4.0/261=12...(8) HB2 ARG 95 + H LEU 45 OK 30 94 - 32 - 6023=6, 1.8/6031=6...(12) HB2 LYS 43 - H LEU 45 OK 24 100 - 24 - 4.7/261=9, 4.0/11317=5...(7) HB3 LYS 43 - H LEU 45 OK 23 99 - 24 - 4.7/261=9, 4.0/11317=5...(7) HB2 LYS 96 - H LEU 45 OK 17 99 - 17 - 2.9/266=3, 4.1/603=3...(6) HB2 LYS 73 - H LEU 45 OK 11 90 - 13 - 2.9/1295=2, 2.9/265=2 HB3 LYS 73 - H LEU 45 OK 11 87 - 13 - 2.9/1295=2, 2.9/265=2 HB3 LYS 123 - H LEU 45 lone 3 96 - 3 - HB3 LYS 20 - H LEU 45 lone 3 73 - 4 - HB2 LYS 20 - H LEU 45 lone 3 73 - 4 - HB ILE 71 - H LEU 45 lone 2 92 - 2 - HB ILE 7 - H LEU 45 lone 1 81 - 2 - HB2 GLU 128 - H LEU 45 lone 1 99 - 1 - HB ILE 15 - H LEU 45 lone 1 94 - 1 - HB2 LEU 81 - H LEU 45 lone 0 84 - 1 - HG2 MET 121 - H LEU 45 lone 0 90 - 0 - HB3 LYS 17 - H LEU 45 lone 0 73 - 0 - HB2 LYS 49 - H LEU 45 lone 0 97 - 0 - Peak 265 from nnoeabs.peaks (1.58, 8.16, 117.78 ppm; 4.45 A): 4 out of 12 assignments used, quality = 0.86: * HG2 LYS 44 + H LEU 45 OK 68 100 - 68 - 4.9/261=26, 1.8/266=18...(12) HG3 LYS 96 + H LEU 45 OK 38 87 - 44 - 1.8/266=12, 1286/4.6=7...(10) HG2 LYS 73 + H LEU 45 OK 24 77 - 31 - 1.8/1295=7, 4.9/11318=5...(14) HG2 LYS 123 + H LEU 45 OK 11 97 - 11 - 3904/3.6=2, 3.9/8199=2...(4) HG LEU 68 - H LEU 45 lone 5 98 - 5 - HB3 LEU 70 - H LEU 45 lone 3 87 - 4 - 3.8/11318=1 HG12 ILE 116 - H LEU 45 lone 1 100 - 1 - HG LEU 55 - H LEU 45 lone 1 73 - 2 - HD2 LYS 19 - H LEU 45 lone 1 87 - 1 - HD3 LYS 19 - H LEU 45 lone 1 87 - 1 - HG3 LYS 19 - H LEU 45 lone 1 81 - 1 - HG LEU 82 - H LEU 45 lone 1 73 - 1 - Peak 266 from nnoeabs.peaks (1.44, 8.16, 117.78 ppm; 4.32 A): 3 out of 13 assignments used, quality = 0.83: * HG3 LYS 44 + H LEU 45 OK 64 100 - 64 - 4.9/261=24, 1.8/265=16...(10) HG2 LYS 96 + H LEU 45 OK 44 100 - 44 - 3905/3.6=9, 1.8/265=9...(10) HB3 LEU 63 + H LEU 45 OK 14 87 - 16 - 3.1/1297=4, 3.1/1298=3...(7) HG2 LYS 39 - H LEU 45 lone 4 61 - 7 - 3905/3.6=1 HG12 ILE 56 - H LEU 45 lone 3 90 - 3 - HB2 LEU 4 - H LEU 45 lone 2 100 - 2 - HB3 LEU 4 - H LEU 45 lone 2 100 - 2 - HG3 LYS 17 - H LEU 45 lone 2 94 - 2 - HG LEU 80 - H LEU 45 lone 1 100 - 1 - HG3 ARG 30 - H LEU 45 lone 1 81 - 1 - HB3 LYS 61 - H LEU 45 lone 1 98 - 1 - HB3 GLN 83 - H LEU 45 lone 1 65 - 2 - HG LEU 4 - H LEU 45 lone 1 84 - 1 - Peak 267 from nnoeabs.peaks (1.70, 8.16, 117.78 ppm; 5.23 A): 4 out of 21 assignments used, quality = 0.94: * HD2 LYS 44 + H LEU 45 OK 66 100 - 66 - 6.4/261=24, 2.9/266=19...(8) HD3 LYS 44 + H LEU 45 OK 66 100 - 66 - 6.4/261=24, 2.9/266=19...(8) HD3 LYS 96 + H LEU 45 OK 29 65 - 45 - 3.0/266=13, 3.0/265=10...(10) HD3 LYS 43 + H LEU 45 OK 25 70 - 36 - 5.9/11317=19, 4.8/8197=5...(7) HD2 LYS 73 - H LEU 45 OK 22 73 - 31 - 3.0/1295=7, 3.0/265=6...(9) HD3 LYS 73 - H LEU 45 OK 21 70 - 30 - 3.0/1295=7, 3.0/265=6...(9) HG3 LYS 123 - H LEU 45 OK 13 100 - 13 - 1.8/265=3, 3.9/8199=3...(4) HD2 LYS 20 - H LEU 45 OK 11 84 - 13 - 3.0/1295=2, 11533/4.7=2...(4) HD3 LYS 20 - H LEU 45 OK 11 81 - 13 - 3.0/1295=2, 11533/4.7=2...(4) HD3 LYS 39 - H LEU 45 lone 10 99 - 10 - 3960/4.6=2, 3907/3.6=2 HD2 LYS 39 - H LEU 45 lone 10 99 - 10 - 3960/4.6=2, 3907/3.6=2 HG3 LYS 39 - H LEU 45 lone 9 100 - 9 - 7476/603=2, 3907/3.6=2...(4) HG12 ILE 71 - H LEU 45 lone 4 97 - 4 - HB ILE 56 - H LEU 45 lone 3 87 - 4 - 11533/4.7=1 HD3 LYS 16 - H LEU 45 lone 3 87 - 3 - HD2 LYS 40 - H LEU 45 lone 3 61 - 4 - HD2 LYS 16 - H LEU 45 lone 2 77 - 3 - HG LEU 74 - H LEU 45 lone 2 100 - 2 - HB ILE 54 - H LEU 45 lone 2 61 - 3 - HB3 LYS 106 - H LEU 45 lone 1 81 - 1 - HB2 LYS 106 - H LEU 45 lone 1 73 - 1 - Peak 268 from nnoeabs.peaks (1.70, 8.16, 117.78 ppm; 5.23 A): 3 out of 18 assignments used, quality = 0.91: * HD3 LYS 44 + H LEU 45 OK 66 100 - 66 - 6.4/261=24, 2.9/266=19...(8) HD2 LYS 44 + H LEU 45 OK 66 100 - 66 - 6.4/261=24, 2.9/266=19...(8) HD3 LYS 43 + H LEU 45 OK 22 61 - 36 - 5.9/11317=19, 4.8/8197=5...(7) HD2 LYS 73 - H LEU 45 OK 20 65 - 30 - 3.0/1295=7, 3.0/265=6...(9) HD3 LYS 73 - H LEU 45 OK 18 61 - 30 - 3.0/1295=7, 3.0/265=6...(9) HG3 LYS 123 - H LEU 45 OK 13 99 - 13 - 1.8/265=3, 3.9/8199=3...(4) HD2 LYS 20 - H LEU 45 OK 10 77 - 13 - 3.0/1295=2, 11533/4.7=2...(4) HD3 LYS 39 - H LEU 45 lone 10 100 - 10 - 3960/4.6=2, 3907/3.6=2 HD2 LYS 39 - H LEU 45 lone 10 100 - 10 - 3960/4.6=2, 3907/3.6=2 HD3 LYS 20 - H LEU 45 poor 10 73 - 13 - 3.0/1295=2, 11533/4.7=2...(4) HG3 LYS 39 - H LEU 45 lone 9 99 - 9 - 7476/603=2, 3907/3.6=2...(4) HG12 ILE 71 - H LEU 45 lone 4 94 - 4 - HB ILE 56 - H LEU 45 lone 3 81 - 4 - 11533/4.7=1 HD3 LYS 16 - H LEU 45 lone 3 81 - 3 - HD2 LYS 16 - H LEU 45 lone 2 70 - 3 - HG LEU 74 - H LEU 45 lone 2 100 - 2 - HB3 LYS 106 - H LEU 45 lone 1 87 - 1 - HB2 LYS 106 - H LEU 45 lone 1 81 - 1 - Peak 271 from nnoeabs.peaks (8.16, 7.64, 118.54 ppm; 3.41 A): 3 out of 4 assignments used, quality = 0.84: * H LEU 45 + H ALA 46 OK 76 100 - 76 - 4.6=41, 1295/4.3=13...(13) H ARG 95 + H ALA 46 OK 26 100 - 26 - 3997/4.3=5, 4011/4.9=5...(7) H LEU 45 + H GLU 69 OK 11 72 - 16 - 1890=7, 4.6/2062=2...(6) H ARG 95 - H GLU 69 lone 4 71 - 5 - Peak 272 from nnoeabs.peaks (4.15, 7.64, 118.54 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 45 + H ALA 46 OK 100 100 - 100 - 3.6=100 Peak 273 from nnoeabs.peaks (1.90, 7.64, 118.54 ppm; 3.26 A): 5 out of 40 assignments used, quality = 0.94: * HB2 LEU 45 + H ALA 46 OK 72 100 - 72 - 4.3=44, 1.8/274=20...(10) HB2 LYS 43 + H ALA 46 OK 40 100 - 41 - 3.0/2070=18, 4.7/2062=8...(10) HB3 LYS 43 + H ALA 46 OK 40 100 - 40 - 3.0/2070=18, 4.7/2062=8...(9) HB3 LYS 44 + H ALA 46 OK 26 100 - 26 - 4.7/1890=11, 4.0/2062=9...(5) HB2 LYS 44 + H ALA 46 OK 25 97 - 26 - 4.7/1890=11, 4.0/2062=9...(5) HB2 ARG 95 - H ALA 46 OK 15 97 - 15 - 6023/4.6=4, 3.9/271=4...(4) HB ILE 71 - H ALA 46 OK 14 96 - 15 - ~9461=5, ~9455=4, ~9788=3 HB ILE 71 - H GLU 69 OK 12 65 - 18 - 8147/3.6=8, 11643/4.9=4...(5) HB2 LYS 73 - H ALA 46 lone 7 94 - 8 - 2.9/274=2, 4.0/1891=1 HB3 LYS 73 - H ALA 46 lone 7 92 - 8 - 2.9/274=2, 4.0/1891=1 HB2 LYS 73 - H GLU 69 poor 7 63 - 11 - 4.0/1891=2, 2.9/274=2...(5) HB2 LEU 45 - H GLU 69 lone 7 72 - 9 - 4.0/1890=2, 1.8/274=2...(4) HB3 LYS 73 - H GLU 69 poor 7 61 - 11 - 4.0/1891=2, 2.9/274=2...(5) HB3 LYS 20 - H ALA 46 lone 6 81 - 7 - 3.0/2070=2, 2.9/274=1 HB2 LYS 20 - H ALA 46 lone 6 81 - 7 - 3.0/2070=2, 2.9/274=1 HB3 LYS 44 - H GLU 69 lone 6 71 - 8 - 4.0/2062=2, 4.7/1890=2 HB3 LYS 123 - H GLU 69 lone 5 61 - 9 - 2.9/8131=2, 2.9/425=1 HB2 LYS 44 - H GLU 69 lone 5 66 - 8 - 4.0/2062=2, 4.7/1890=2 HB3 LYS 43 - H GLU 69 lone 5 71 - 7 - 3.0/8084=3, 4.7/2062=2 HB2 LYS 43 - H GLU 69 lone 5 71 - 7 - 3.0/8084=3, 4.7/2062=2 HB2 LYS 96 - H ALA 46 lone 4 100 - 4 - HB3 LYS 123 - H ALA 46 lone 2 92 - 2 - HB2 GLU 128 - H GLU 69 lone 2 71 - 3 - HB2 ARG 95 - H GLU 69 lone 2 66 - 3 - HB2 LYS 96 - H GLU 69 lone 2 71 - 2 - HB ILE 7 - H ALA 46 lone 1 87 - 2 - HB ILE 15 - H ALA 46 lone 1 90 - 1 - HB3 LYS 20 - H GLU 69 lone 1 51 - 2 - HB2 LYS 20 - H GLU 69 lone 1 51 - 2 - HB2 GLU 128 - H ALA 46 lone 1 100 - 1 - HB ILE 7 - H GLU 69 lone 1 56 - 2 - HB2 LEU 81 - H GLU 69 lone 1 48 - 2 - 9764/4.9=1 HG2 MET 121 - H ALA 46 lone 1 84 - 1 - HB2 LYS 49 - H GLU 69 lone 1 69 - 1 - HB2 LYS 49 - H ALA 46 lone 1 99 - 1 - HB2 LEU 81 - H ALA 46 lone 1 77 - 1 - HG2 MET 121 - H GLU 69 lone 0 53 - 1 - HB ILE 15 - H GLU 69 lone 0 58 - 1 - HB3 LYS 17 - H ALA 46 lone 0 65 - 0 - HB3 LYS 17 - H GLU 69 lone 0 40 - 1 - Peak 274 from nnoeabs.peaks (1.49, 7.64, 118.54 ppm; 3.61 A): 1 out of 16 assignments used, quality = 0.78: * HB3 LEU 45 + H ALA 46 OK 78 100 - 78 - 4.3=59, 4.0/1890=17...(8) HG3 LYS 73 - H GLU 69 poor 8 65 - 13 - 5163/4.6=5, 1.8/425=2 HG3 LYS 73 - H ALA 46 lone 8 96 - 8 - 1295/4.6=3, 4.9/1891=1 HG3 LYS 20 - H ALA 46 lone 7 92 - 8 - 3073/2070=2, 3.8/2070=2 HB3 LEU 45 - H GLU 69 lone 6 72 - 9 - 4.0/1890=3, 3.1/7523=2 HB3 LEU 14 - H ALA 46 lone 1 87 - 2 - QB ALA 124 - H ALA 46 lone 1 65 - 2 - HG3 LYS 20 - H GLU 69 lone 1 61 - 2 - QB ALA 124 - H GLU 69 lone 1 40 - 3 - 2.9/2109=1 HG3 ARG 118 - H ALA 46 lone 1 100 - 1 - HG3 ARG 118 - H GLU 69 lone 1 71 - 1 - HG2 ARG 30 - H ALA 46 lone 1 90 - 1 - HD2 LYS 53 - H ALA 46 lone 1 98 - 1 - HB3 LEU 14 - H GLU 69 lone 0 56 - 1 - HG2 ARG 30 - H GLU 69 lone 0 58 - 1 - HD2 LYS 53 - H GLU 69 lone 0 68 - 0 - Peak 275 from nnoeabs.peaks (1.88, 7.64, 118.54 ppm; 3.35 A): 6 out of 38 assignments used, quality = 0.88: * HG LEU 45 + H ALA 46 OK 68 100 - 68 - 4.9=31, 3.0/274=16...(9) HB3 LYS 43 + H ALA 46 OK 25 61 - 41 - 3.0/2070=19, 4.7/2062=8...(9) QE MET 67 + H GLU 69 OK 22 71 - 31 - 7641/4.6=11, 9736=8...(8) HG2 ARG 95 + H ALA 46 OK 18 98 - 19 - 6040/3.6=6, 6039/4.6=5...(5) HB ILE 71 + H ALA 46 OK 13 81 - 16 - ~9461=6, ~9455=5...(4) HB2 ARG 95 + H ALA 46 OK 12 77 - 15 - 3.9/271=4, 6023/4.6=3...(5) QE MET 42 - H ALA 46 poor 10 73 - 13 - 5.4/2071=5, 9428/2.9=4 HB ILE 71 - H GLU 69 poor 9 51 - 17 - 8147/3.6=7, 11643/4.9=4...(6) HB3 LYS 20 - H ALA 46 lone 8 96 - 8 - 3.0/2070=2, 2.9/274=2 HB2 LYS 20 - H ALA 46 lone 8 96 - 8 - 3.0/2070=2, 2.9/274=2 HB3 LYS 73 - H ALA 46 lone 7 87 - 8 - 2.9/274=2, 3994/3.6=1 HB2 LYS 73 - H ALA 46 lone 7 84 - 8 - 2.9/274=2, 3994/3.6=1 HB3 LYS 73 - H GLU 69 poor 6 56 - 11 - 4.0/1891=2, 2.9/274=2...(5) QE MET 67 - H ALA 46 lone 6 100 - 6 - 9736=2 HB2 LYS 73 - H GLU 69 poor 6 53 - 11 - 4.0/1891=2, 2.9/274=2...(5) HB2 LEU 63 - H GLU 69 lone 6 58 - 10 - 3.1/7614=2, 1.8/7612=2...(4) HG LEU 45 - H GLU 69 lone 6 72 - 8 - 5.0/1890=2, 2.1/7523=2...(4) HB2 LEU 63 - H ALA 46 lone 5 90 - 6 - 3.1/276=1 QE MET 42 - H GLU 69 lone 3 45 - 7 - 9407/4.6=2, 420/4.6=1 HB3 LYS 43 - H GLU 69 lone 3 37 - 7 - 3.0/8084=3, 4.7/2062=2 HB2 LYS 96 - H ALA 46 lone 2 61 - 3 - HG2 ARG 95 - H GLU 69 lone 2 68 - 3 - HB ILE 7 - H ALA 46 lone 2 92 - 2 - HB2 LYS 20 - H GLU 69 lone 1 65 - 2 - HB3 LYS 20 - H GLU 69 lone 1 65 - 2 - HB2 ARG 95 - H GLU 69 lone 1 48 - 3 - HB2 LYS 16 - H ALA 46 lone 1 100 - 1 - HB3 LYS 16 - H ALA 46 lone 1 100 - 1 - HB ILE 7 - H GLU 69 lone 1 61 - 2 - HB3 ARG 118 - H GLU 69 lone 1 58 - 2 - HB2 GLU 128 - H GLU 69 lone 1 37 - 2 - HB3 ARG 118 - H ALA 46 lone 1 90 - 1 - HB3 LYS 16 - H GLU 69 lone 1 72 - 1 - HB2 LYS 16 - H GLU 69 lone 1 71 - 1 - HB2 LYS 96 - H GLU 69 lone 1 37 - 2 - HB2 GLU 128 - H ALA 46 lone 1 61 - 1 - HB2 LYS 49 - H ALA 46 lone 0 70 - 1 - HB2 LYS 49 - H GLU 69 lone 0 43 - 1 - Peak 276 from nnoeabs.peaks (0.75, 7.64, 118.54 ppm; 4.21 A): 3 out of 22 assignments used, quality = 0.84: * QD1 LEU 45 + H ALA 46 OK 79 100 - 79 - 3995/3.6=29, 4021/4.3=24...(9) QD1 LEU 63 + H GLU 69 OK 11 53 - 21 - 2.1/7614=4, 11343/4.9=4...(8) QD1 LEU 45 + H GLU 69 OK 11 72 - 15 - 7523=4, 4.7/1890=3...(4) QD1 LEU 63 - H ALA 46 poor 10 84 - 12 - 1297/4.6=2, 3995/3.6=2...(4) QG2 VAL 32 - H GLU 69 poor 7 63 - 12 - 9290/3.6=3, 9301/5.1=1...(5) QD2 LEU 6 - H GLU 69 poor 7 37 - 19 - 11343/4.9=8, 2.1/277=5...(5) QG2 VAL 32 - H ALA 46 lone 4 94 - 5 - QD2 LEU 14 - H ALA 46 lone 3 94 - 3 - QD1 ILE 7 - H ALA 46 lone 2 84 - 3 - QG2 ILE 7 - H ALA 46 lone 2 92 - 2 - QD1 ILE 15 - H ALA 46 lone 2 92 - 2 - QG2 ILE 54 - H ALA 46 lone 2 96 - 2 - QG1 VAL 107 - H GLU 69 lone 1 63 - 2 - QD2 LEU 6 - H ALA 46 lone 1 61 - 2 - QG1 VAL 107 - H ALA 46 lone 1 94 - 1 - QG2 ILE 54 - H GLU 69 lone 1 65 - 2 - QG2 ILE 7 - H GLU 69 lone 1 61 - 2 - QD2 LEU 14 - H GLU 69 lone 1 63 - 2 - QD2 LEU 55 - H ALA 46 lone 1 65 - 1 - QD1 ILE 7 - H GLU 69 lone 1 53 - 2 - QD1 ILE 15 - H GLU 69 lone 1 61 - 1 - QD2 LEU 55 - H GLU 69 lone 1 40 - 1 - Peak 277 from nnoeabs.peaks (0.72, 7.64, 118.54 ppm; 4.30 A): 6 out of 26 assignments used, quality = 0.90: * QD2 LEU 45 + H ALA 46 OK 78 100 - 78 - 3996/3.6=30, 3.1/274=24...(10) QD1 LEU 6 + H GLU 69 OK 27 61 - 44 - 11565/4.9=21...(5) QD2 LEU 6 + H GLU 69 OK 12 61 - 20 - 11343/4.9=14...(3) QD2 LEU 45 + H GLU 69 OK 11 72 - 15 - 4.7/1890=3, 2.1/7523=3...(4) QD1 LEU 63 + H GLU 69 OK 10 45 - 22 - 11343/4.9=7, 2.1/7614=4...(8) QD2 LEU 63 + H GLU 69 OK 10 45 - 22 - 11547/3.6=5, 7614=4...(8) QD2 LEU 63 - H ALA 46 poor 8 73 - 11 - 2.1/276=2, 3996/3.6=2...(5) QD1 LEU 63 - H ALA 46 lone 6 73 - 9 - 3996/3.6=1, 1298/4.6=1...(4) QG2 VAL 78 - H ALA 46 lone 6 100 - 6 - 11291/4.3=2, 3996/3.6=1 QG2 VAL 78 - H GLU 69 lone 5 72 - 7 - 9767/4.9=4 QD2 LEU 81 - H GLU 69 lone 3 37 - 8 - 9766/4.9=3, 9956/3.6=2 QD1 LEU 6 - H ALA 46 lone 2 92 - 2 - QG1 VAL 117 - H GLU 69 lone 2 70 - 3 - QD2 LEU 6 - H ALA 46 lone 2 92 - 2 - QD2 LEU 55 - H ALA 46 lone 2 90 - 2 - QG2 ILE 7 - H ALA 46 lone 2 61 - 2 - QG1 VAL 117 - H ALA 46 lone 1 99 - 1 - HG13 ILE 18 - H ALA 46 lone 1 99 - 1 - QG2 ILE 18 - H ALA 46 lone 1 97 - 1 - HG13 ILE 18 - H GLU 69 lone 1 70 - 1 - QD2 LEU 81 - H ALA 46 lone 1 61 - 1 - QD1 ILE 57 - H ALA 46 lone 1 65 - 1 - QG2 ILE 18 - H GLU 69 lone 1 66 - 1 - QD2 LEU 55 - H GLU 69 lone 1 58 - 1 - QG2 ILE 7 - H GLU 69 lone 1 37 - 2 - QD1 ILE 57 - H GLU 69 lone 0 40 - 1 - Peak 278 from nnoeabs.peaks (7.64, 7.71, 115.49 ppm; 3.27 A): 2 out of 8 assignments used, quality = 0.67: * H ALA 46 + H GLU 47 OK 58 100 - 58 - 4.6=35, 2.9/280=23...(5) H GLU 69 + H GLU 47 OK 22 92 - 24 - 1912=7, 2.9/2074=6...(9) H LEU 64 - H GLU 47 lone 1 90 - 1 - H LYS 115 - H GLU 47 lone 1 57 - 2 - H GLN 100 - H GLU 47 lone 1 81 - 1 - HE21 GLN 85 - H GLU 47 lone 0 84 - 0 - HD21 ASN 50 - H GLU 47 lone 0 99 - 0 - HD21 ASN 10 - H GLU 47 lone 0 99 - 0 - Peak 279 from nnoeabs.peaks (4.25, 7.71, 115.49 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: HA GLU 47 + H GLU 47 OK 100 100 - 100 - 3.0=100 Reference assignment not found: HA ALA 46 - H GLU 47 Peak 280 from nnoeabs.peaks (1.55, 7.71, 115.49 ppm; 3.32 A): 1 out of 10 assignments used, quality = 0.83: * QB ALA 46 + H GLU 47 OK 83 100 - 83 - 3.7=74, 2.9/278=18...(5) HD3 LYS 94 - H GLU 47 lone 2 84 - 2 - HD2 LYS 94 - H GLU 47 lone 2 84 - 2 - HG2 LYS 65 - H GLU 47 lone 2 100 - 2 - HG2 LYS 115 - H GLU 47 lone 1 90 - 1 - HG12 ILE 3 - H GLU 47 lone 1 90 - 1 - HB VAL 78 - H GLU 47 lone 1 97 - 1 - HD2 LYS 106 - H GLU 47 lone 1 90 - 1 - HD3 LYS 106 - H GLU 47 lone 1 87 - 1 - HG LEU 55 - H GLU 47 lone 0 73 - 0 - Peak 281 from nnoeabs.peaks (7.71, 7.75, 120.57 ppm; 2.50 A): 1 out of 3 assignments used, quality = 0.51: * H GLU 47 + H GLU 48 OK 51 100 - 51 - 1892=42, 4.0/7529=7, 4.0/7528=6 H LEU 70 - H GLU 48 lone 2 99 - 2 - H LYS 73 - H GLU 48 lone 1 92 - 1 - Peak 282 from nnoeabs.peaks (4.25, 7.75, 120.57 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 47 + H GLU 48 OK 100 100 - 100 - 3.6=100 Peak 283 from nnoeabs.peaks (2.06, 7.75, 120.57 ppm; 3.68 A): 3 out of 19 assignments used, quality = 0.96: * HB2 GLU 47 + H GLU 48 OK 74 100 - 74 - 4.6=50, 1.8/7529=28, 4.0/281=26 HB2 GLU 48 + H GLU 48 OK 61 73 - 83 - 4.1=74, 3.0/4086=18...(4) HB3 GLU 48 + H GLU 48 OK 61 73 - 83 - 4.1=74, 3.0/4086=18...(4) HB2 GLU 92 - H GLU 48 lone 3 100 - 3 - 1.8/284=1 HB3 GLU 87 - H GLU 48 lone 2 73 - 3 - 1304/4.6=1 HB VAL 117 - H GLU 48 lone 1 94 - 2 - HB3 GLU 91 - H GLU 48 lone 1 84 - 1 - HB2 GLU 89 - H GLU 48 lone 1 73 - 1 - HB3 GLU 89 - H GLU 48 lone 1 73 - 1 - HB2 GLU 13 - H GLU 48 lone 1 96 - 1 - HB3 MET 67 - H GLU 48 lone 1 97 - 1 - HB2 GLN 28 - H GLU 48 lone 1 98 - 1 - HB3 GLN 100 - H GLU 48 lone 1 96 - 1 - HB2 LYS 94 - H GLU 48 lone 1 81 - 1 - HB2 GLU 66 - H GLU 48 lone 1 73 - 1 - HB3 GLU 98 - H GLU 48 lone 1 100 - 1 - HG3 GLU 52 - H GLU 48 lone 1 87 - 1 - HB3 GLN 85 - H GLU 48 lone 0 73 - 1 - HB3 PHE 79 - H GLU 48 lone 0 61 - 0 - Peak 284 from nnoeabs.peaks (2.11, 7.75, 120.57 ppm; 3.89 A): 1 out of 15 assignments used, quality = 0.79: * HB3 GLU 47 + H GLU 48 OK 79 100 - 79 - 4.6=59, 4.0/1892=29, 1.8/7528=28 HB2 GLU 111 - H GLU 48 lone 7 90 - 8 - 3.0/8237=3, 4.6/2184=2 HB3 GLU 92 - H GLU 48 lone 3 100 - 3 - 3.0/1313=1 HB2 GLU 87 - H GLU 48 lone 2 73 - 3 - 1305/4.6=2 HB VAL 107 - H GLU 48 lone 1 98 - 1 - HG2 GLU 21 - H GLU 48 lone 1 99 - 1 - HG3 GLU 21 - H GLU 48 lone 1 98 - 1 - HB2 GLU 91 - H GLU 48 lone 1 77 - 1 - HB2 GLU 21 - H GLU 48 lone 1 98 - 1 - HG3 GLN 83 - H GLU 48 lone 1 97 - 1 - HB3 GLU 66 - H GLU 48 lone 1 70 - 1 - HB3 GLU 119 - H GLU 48 lone 1 99 - 1 - HB2 LEU 38 - H GLU 48 lone 1 99 - 1 - HB2 GLU 119 - H GLU 48 lone 1 97 - 1 - HG2 GLU 52 - H GLU 48 lone 1 92 - 1 - Peak 288 from nnoeabs.peaks (4.37, 8.61, 124.42 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 48 + H LYS 49 OK 100 100 - 100 - 3.6=100 Peak 293 from nnoeabs.peaks (8.61, 8.72, 117.99 ppm; 5.57 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + H ASN 50 OK 100 100 - 100 - 4.6=100 Peak 294 from nnoeabs.peaks (4.32, 8.72, 117.99 ppm; 4.92 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 49 + H ASN 50 OK 100 100 - 100 - 3.6=100 Peak 295 from nnoeabs.peaks (1.90, 8.72, 117.99 ppm; 4.86 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 49 + H ASN 50 OK 100 100 - 100 - 4.4=100 Peak 303 from nnoeabs.peaks (8.72, 8.34, 120.70 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 50 + H PHE 51 OK 100 100 - 100 - 4.6=100 Peak 304 from nnoeabs.peaks (4.62, 8.34, 120.70 ppm; 3.38 A): 1 out of 2 assignments used, quality = 0.88: * HA ASN 50 + H PHE 51 OK 88 100 - 88 - 3.6=85, 3.0/306=11, 3.0/306=11 HA VAL 107 - H PHE 51 lone 0 94 - 0 - Peak 305 from nnoeabs.peaks (2.71, 8.34, 120.70 ppm; 3.78 A): 2 out of 6 assignments used, quality = 0.91: * HB2 ASN 50 + H PHE 51 OK 69 100 - 69 - 4.6=55, 3.0/304=32 HB3 ASN 50 + H PHE 51 OK 69 100 - 69 - 4.6=55, 3.0/304=32 HE2 LYS 19 - H PHE 51 lone 0 97 - 0 - HE3 LYS 19 - H PHE 51 lone 0 97 - 0 - HE3 LYS 53 - H PHE 51 lone 0 90 - 0 - HB3 ASN 33 - H PHE 51 lone 0 70 - 0 - Peak 306 from nnoeabs.peaks (2.71, 8.34, 120.70 ppm; 3.78 A): 2 out of 6 assignments used, quality = 0.91: * HB3 ASN 50 + H PHE 51 OK 69 100 - 69 - 4.6=55, 3.0/304=32 HB2 ASN 50 + H PHE 51 OK 69 100 - 69 - 4.6=55, 3.0/304=32 HE2 LYS 19 - H PHE 51 lone 0 96 - 0 - HE3 LYS 19 - H PHE 51 lone 0 96 - 0 - HE3 LYS 53 - H PHE 51 lone 0 92 - 0 - HB3 ASN 33 - H PHE 51 lone 0 65 - 0 - Peak 309 from nnoeabs.peaks (4.26, 7.96, 119.96 ppm; 3.31 A): 1 out of 6 assignments used, quality = 0.88: * HA GLU 52 + H LYS 53 OK 88 100 - 88 - 3.6=79, 3.0/311=18...(5) HA GLU 41 - H LYS 53 lone 1 99 - 1 - HA ASP 12 - H LYS 53 lone 1 77 - 1 - HA GLU 47 - H LYS 53 lone 0 96 - 0 - HA VAL 32 - H LYS 53 lone 0 92 - 0 - HA ALA 46 - H LYS 53 lone 0 98 - 0 - Peak 310 from nnoeabs.peaks (1.66, 7.96, 119.96 ppm; 4.57 A): 1 out of 13 assignments used, quality = 0.99: * HB2 GLU 52 + H LYS 53 OK 99 100 - 99 - 4.7=95, 3.0/309=41...(4) HB ILE 5 - H LYS 53 lone 9 92 - 10 - 2.9/9464=5, 3.2/10800=4 HB2 ARG 30 - H LYS 53 lone 2 100 - 2 - HD2 LYS 65 - H LYS 53 lone 1 100 - 1 - HD3 LYS 65 - H LYS 53 lone 1 99 - 1 - HG LEU 64 - H LYS 53 lone 1 81 - 1 - HD2 LYS 115 - H LYS 53 lone 1 100 - 1 - HD3 LYS 115 - H LYS 53 lone 1 100 - 1 - HG LEU 114 - H LYS 53 lone 1 99 - 1 - HD2 LYS 49 - H LYS 53 lone 1 100 - 1 - HD3 LYS 49 - H LYS 53 lone 1 100 - 1 - HG LEU 90 - H LYS 53 lone 1 70 - 1 - HG3 ARG 95 - H LYS 53 lone 1 61 - 1 - Peak 311 from nnoeabs.peaks (1.95, 7.96, 119.96 ppm; 4.00 A): 1 out of 18 assignments used, quality = 0.86: * HB3 GLU 52 + H LYS 53 OK 86 100 - 86 - 4.7=64, 3.0/309=35...(4) HB VAL 104 - H LYS 53 lone 2 98 - 2 - 2.1/1343=1 HB VAL 29 - H LYS 53 lone 1 100 - 1 - HB3 GLU 41 - H LYS 53 lone 1 100 - 1 - HB2 GLU 41 - H LYS 53 lone 1 100 - 1 - HB3 LYS 40 - H LYS 53 lone 1 97 - 1 - HB2 LYS 65 - H LYS 53 lone 1 65 - 1 - HB2 LYS 123 - H LYS 53 lone 1 65 - 1 - HB3 LYS 65 - H LYS 53 lone 1 61 - 1 - HB3 LYS 115 - H LYS 53 lone 1 65 - 1 - HB3 MET 42 - H LYS 53 lone 1 100 - 1 - HB3 LYS 39 - H LYS 53 lone 1 99 - 1 - HB2 LEU 70 - H LYS 53 lone 1 92 - 1 - HB3 GLU 128 - H LYS 53 lone 1 100 - 1 - HB2 LEU 127 - H LYS 53 lone 1 61 - 1 - HB3 ARG 95 - H LYS 53 lone 0 65 - 1 - HB2 LYS 39 - H LYS 53 lone 0 65 - 1 - HB3 LYS 96 - H LYS 53 lone 0 61 - 0 - Peak 313 from nnoeabs.peaks (2.04, 7.96, 119.96 ppm; 4.80 A): 1 out of 16 assignments used, quality = 0.98: * HG3 GLU 52 + H LYS 53 OK 98 100 - 98 - 4.9=94, 4.0/309=37...(4) HB3 MET 67 - H LYS 53 lone 3 99 - 3 - HB2 GLN 28 - H LYS 53 lone 2 65 - 4 - 1.8/9464=2 HB3 GLU 87 - H LYS 53 lone 2 99 - 2 - HB VAL 117 - H LYS 53 lone 1 100 - 1 - HB3 GLN 100 - H LYS 53 lone 1 99 - 1 - HB2 GLU 47 - H LYS 53 lone 1 87 - 2 - HB2 GLU 66 - H LYS 53 lone 1 99 - 1 - HB3 GLU 98 - H LYS 53 lone 1 94 - 1 - HB3 GLN 85 - H LYS 53 lone 1 99 - 1 - HB3 GLU 89 - H LYS 53 lone 1 99 - 1 - HB2 GLU 89 - H LYS 53 lone 1 99 - 1 - HB2 GLU 92 - H LYS 53 lone 1 94 - 1 - HB2 GLU 48 - H LYS 53 lone 1 99 - 1 - HB3 GLU 48 - H LYS 53 lone 1 99 - 1 - HB2 MET 1 - H LYS 53 lone 1 81 - 1 - Peak 314 from nnoeabs.peaks (7.96, 8.80, 124.73 ppm; 5.50 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 53 + H ILE 54 OK 100 100 - 100 - 4.6=100 Peak 315 from nnoeabs.peaks (4.69, 8.80, 124.73 ppm; 3.33 A): 1 out of 5 assignments used, quality = 0.86: * HA LYS 53 + H ILE 54 OK 86 100 - 86 - 3.6=81, 4.1/319=13...(5) HA ASN 11 - H ILE 54 lone 1 99 - 1 - HA TYR 102 - H ILE 54 lone 1 70 - 1 - HA ASP 34 - H ILE 54 lone 1 81 - 1 - HA ASP 86 - H ILE 54 lone 0 99 - 0 - Peak 316 from nnoeabs.peaks (0.11, 8.80, 124.73 ppm; 5.82 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 53 + H ILE 54 OK 100 100 - 100 - 4.4=100 Peak 317 from nnoeabs.peaks (1.13, 8.80, 124.73 ppm; 5.73 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 53 + H ILE 54 OK 100 100 - 100 - 4.4=100 Peak 318 from nnoeabs.peaks (1.09, 8.80, 124.73 ppm; 4.72 A): 2 out of 5 assignments used, quality = 0.99: * HG2 LYS 53 + H ILE 54 OK 97 100 - 97 - 5.0=86, 1.8/319=39...(9) QG2 ILE 3 + H ILE 54 OK 54 92 - 59 - 2.1/9003=22, 9029=12...(8) HG2 LYS 2 - H ILE 54 lone 2 61 - 3 - 2.9/321=1 HG2 LYS 19 - H ILE 54 lone 2 90 - 2 - HD3 LYS 61 - H ILE 54 lone 2 94 - 2 - Peak 319 from nnoeabs.peaks (0.94, 8.80, 124.73 ppm; 4.17 A): 1 out of 4 assignments used, quality = 0.85: * HG3 LYS 53 + H ILE 54 OK 85 100 - 85 - 5.0=60, 4.1/315=28...(7) QG1 VAL 104 - H ILE 54 lone 8 98 - 8 - 4.2/1948=3 HG13 ILE 97 - H ILE 54 lone 3 92 - 4 - 2.9/10802=1, 3.2/11714=1 QD2 LEU 127 - H ILE 54 lone 1 99 - 1 - Peak 321 from nnoeabs.peaks (1.27, 8.80, 124.73 ppm; 4.35 A): 2 out of 5 assignments used, quality = 0.85: * HD3 LYS 53 + H ILE 54 OK 62 100 - 62 - 3.0/319=29, 5.2/315=22...(6) HG12 ILE 54 + H ILE 54 OK 59 61 - 97 - 4.6=86, 1.8/1353=38...(10) HG13 ILE 7 - H ILE 54 lone 6 77 - 8 - 3.2/9088=3, 3.0/9089=2 HD2 LYS 2 - H ILE 54 lone 5 97 - 5 - 9469/4.8=2, 9470/4.0=2 HG3 LYS 61 - H ILE 54 lone 1 90 - 1 - Peak 324 from nnoeabs.peaks (8.80, 9.10, 130.09 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 54 + H LEU 55 OK 100 100 - 100 - 4.4=100 Peak 325 from nnoeabs.peaks (4.85, 9.10, 130.09 ppm; 3.17 A): 2 out of 3 assignments used, quality = 0.86: * HA ILE 54 + H LEU 55 OK 81 100 - 81 - 3.6=70, 3.2/7565=20...(7) HA ILE 5 + H LEU 55 OK 25 84 - 29 - ~9057=7, ~9058=7...(7) HA ASP 60 - H LEU 55 lone 1 70 - 1 - Peak 326 from nnoeabs.peaks (1.68, 9.10, 130.09 ppm; 4.69 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 54 + H LEU 55 OK 100 100 - 100 - 4.4=100 Peak 327 from nnoeabs.peaks (0.75, 9.10, 130.09 ppm; 3.34 A): 3 out of 11 assignments used, quality = 0.89: * QG2 ILE 54 + H LEU 55 OK 70 100 - 70 - 4.4=44, 3.2/325=20...(8) QD2 LEU 55 + H LEU 55 OK 60 92 - 65 - 4.7=37, 3.1/1357=18...(8) QD2 LEU 6 + H LEU 55 OK 10 90 - 12 - 11559/4.5=8, 4417/3.0=2 QG2 ILE 7 - H LEU 55 lone 6 100 - 6 - 11076/3.9=2, 9088/4.4=1 QD1 LEU 63 - H LEU 55 lone 5 99 - 5 - 11559/4.5=3 HG13 ILE 18 - H LEU 55 lone 4 70 - 5 - 1.8/1357=2 QD1 ILE 15 - H LEU 55 lone 1 65 - 1 - QG2 VAL 32 - H LEU 55 lone 1 70 - 1 - QD1 LEU 45 - H LEU 55 lone 1 96 - 1 - QD2 LEU 14 - H LEU 55 lone 0 70 - 1 - QG1 VAL 107 - H LEU 55 lone 0 70 - 0 - Peak 330 from nnoeabs.peaks (0.64, 9.10, 130.09 ppm; 4.17 A): 4 out of 6 assignments used, quality = 0.95: * QD1 ILE 54 + H LEU 55 OK 77 100 - 77 - 3.1/7565=34, 4.2/325=22...(11) QD1 ILE 5 + H LEU 55 OK 50 90 - 56 - ~9058=13, ~9059=11...(13) QD1 LEU 4 + H LEU 55 OK 33 97 - 34 - 10735/4.4=11, 4389/4.4=8...(6) QG1 VAL 22 + H LEU 55 OK 33 100 - 33 - 10866/3.9=20...(6) HG13 ILE 15 - H LEU 55 lone 5 100 - 5 - QD1 ILE 71 - H LEU 55 lone 1 61 - 2 - Peak 331 from nnoeabs.peaks (9.10, 9.18, 125.98 ppm; 5.29 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 55 + H ILE 56 OK 100 100 - 100 - 4.5=100 Peak 332 from nnoeabs.peaks (5.64, 9.18, 125.98 ppm; 3.11 A): 1 out of 1 assignment used, quality = 0.84: * HA LEU 55 + H ILE 56 OK 84 100 - 84 - 3.6=66, 3.0/1898=15...(11) Peak 333 from nnoeabs.peaks (1.76, 9.18, 125.98 ppm; 4.97 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 55 + H ILE 56 OK 100 100 - 100 - 4.6=100 Peak 334 from nnoeabs.peaks (1.32, 9.18, 125.98 ppm; 4.80 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 55 + H ILE 56 OK 100 100 - 100 - 4.6=100 Peak 335 from nnoeabs.peaks (1.57, 9.18, 125.98 ppm; 4.03 A): 1 out of 13 assignments used, quality = 0.79: * HG LEU 55 + H ILE 56 OK 79 100 - 79 - 2.1/7574=29, 4.3/332=27...(7) HG3 LYS 96 - H ILE 56 lone 3 99 - 3 - HG12 ILE 3 - H ILE 56 lone 1 99 - 1 - HB VAL 78 - H ILE 56 lone 1 94 - 1 - HG2 LYS 115 - H ILE 56 lone 1 99 - 1 - HG2 LYS 123 - H ILE 56 lone 1 94 - 1 - HG2 LYS 44 - H ILE 56 lone 1 73 - 1 - HB3 LEU 70 - H ILE 56 lone 1 99 - 1 - HG2 LYS 65 - H ILE 56 lone 1 70 - 1 - HD3 LYS 106 - H ILE 56 lone 1 99 - 1 - HG12 ILE 116 - H ILE 56 lone 1 65 - 1 - HD2 LYS 106 - H ILE 56 lone 1 99 - 1 - QB ALA 46 - H ILE 56 lone 1 73 - 1 - Peak 336 from nnoeabs.peaks (0.68, 9.18, 125.98 ppm; 3.35 A): 3 out of 6 assignments used, quality = 0.95: * QD1 LEU 55 + H ILE 56 OK 77 100 - 77 - 4.6=38, 2.1/335=21...(11) QG2 ILE 56 + H ILE 56 OK 73 92 - 79 - 4.0=59, 2.1/1364=18...(7) QD2 LEU 4 + H ILE 56 OK 14 98 - 15 - 7573=3, 3.1/1366=2...(6) QD2 LEU 114 - H ILE 56 lone 2 81 - 3 - QG2 ILE 97 - H ILE 56 lone 1 100 - 1 - QD1 ILE 116 - H ILE 56 lone 1 99 - 1 - Peak 337 from nnoeabs.peaks (0.74, 9.18, 125.98 ppm; 3.25 A): 5 out of 11 assignments used, quality = 0.95: * QD2 LEU 55 + H ILE 56 OK 76 100 - 76 - 4.6=35, 2.1/335=20...(11) QG2 ILE 54 + H ILE 56 OK 45 92 - 49 - 7565/4.5=12, 11355=11...(8) QD2 LEU 6 + H ILE 56 OK 39 100 - 39 - 3.9/9535=15, 11559=13...(8) QD1 LEU 63 + H ILE 56 OK 18 99 - 19 - 11559=5, 11706/4.6=4...(6) QG2 ILE 7 + H ILE 56 OK 16 96 - 17 - 4.0/9530=12, 11076/4.6=1 HG13 ILE 18 - H ILE 56 lone 6 97 - 7 - 4.6/9529=2, 11709/4.6=1 QG2 VAL 78 - H ILE 56 lone 3 90 - 3 - QG2 ILE 18 - H ILE 56 lone 2 65 - 3 - 4.0/9529=2 QD1 LEU 45 - H ILE 56 lone 1 65 - 2 - QD2 LEU 45 - H ILE 56 lone 1 90 - 1 - QG1 VAL 117 - H ILE 56 lone 1 77 - 1 - Peak 339 from nnoeabs.peaks (5.06, 8.54, 127.24 ppm; 2.95 A): 2 out of 2 assignments used, quality = 0.81: * HA ILE 56 + H ILE 57 OK 77 100 - 77 - 3.6=56, 3.2/7577=13...(11) HA VAL 29 + H ILE 57 OK 18 81 - 23 - 3.6/11361=12, 9575/4.6=3...(5) Peak 340 from nnoeabs.peaks (1.69, 8.54, 127.24 ppm; 4.57 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 56 + H ILE 57 OK 100 100 - 100 - 4.4=100 Peak 341 from nnoeabs.peaks (0.69, 8.54, 127.24 ppm; 3.01 A): 4 out of 8 assignments used, quality = 0.89: * QG2 ILE 56 + H ILE 57 OK 68 100 - 68 - 4.4=33, 3.2/339=18...(11) QD1 ILE 57 + H ILE 57 OK 55 84 - 65 - 4.9=24, 2.1/1373=14...(12) QD2 LEU 81 + H ILE 57 OK 15 87 - 17 - 11634/4.0=4, 11389/4.6=3...(7) QD1 LEU 55 + H ILE 57 OK 14 92 - 16 - 7573/4.6=7, 2.1/9528=3...(4) QD2 LEU 4 - H ILE 57 lone 4 73 - 5 - 2.1/344=1, 7573/4.6=1 QD2 LEU 63 - H ILE 57 lone 4 77 - 5 - 4491/344=1 QG2 ILE 97 - H ILE 57 lone 1 87 - 2 - QD1 ILE 116 - H ILE 57 lone 1 81 - 1 - Peak 343 from nnoeabs.peaks (0.96, 8.54, 127.24 ppm; 4.61 A): 1 out of 5 assignments used, quality = 0.82: * HG13 ILE 56 + H ILE 57 OK 82 100 - 82 - 2.1/344=38, 4.0/339=30...(6) QD1 LEU 38 - H ILE 57 lone 3 99 - 3 - QD1 ILE 3 - H ILE 57 lone 2 90 - 2 - HG13 ILE 116 - H ILE 57 lone 1 87 - 1 - HD3 LYS 2 - H ILE 57 lone 1 100 - 1 - Peak 344 from nnoeabs.peaks (0.66, 8.54, 127.24 ppm; 3.19 A): 1 out of 6 assignments used, quality = 0.61: * QD1 ILE 56 + H ILE 57 OK 61 100 - 62 - 2.9/7577=16, 2.1/343=15...(9) QD1 ILE 71 - H ILE 57 lone 6 97 - 6 - 4459/3.6=2, 4473/4.4=1...(4) QD1 LEU 4 - H ILE 57 lone 4 61 - 6 - 4459/3.6=1, 1368/4.6=1 QD2 LEU 4 - H ILE 57 lone 3 70 - 5 - 4459/3.6=1, 1368/4.6=1 QD2 LEU 114 - H ILE 57 lone 3 94 - 3 - QD1 ILE 116 - H ILE 57 lone 1 61 - 1 - Peak 345 from nnoeabs.peaks (8.54, 8.81, 119.27 ppm; 5.56 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 57 + H SER 58 OK 100 100 - 100 - 4.7=100 Peak 346 from nnoeabs.peaks (4.91, 8.81, 119.27 ppm; 3.06 A): 1 out of 3 assignments used, quality = 0.75: * HA ILE 57 + H SER 58 OK 75 100 - 75 - 3.6=64, 3.2/348=13...(7) HA ARG 105 - H SER 58 lone 7 100 - 6 - 7840=3 HA LEU 82 - H SER 58 lone 2 100 - 2 - Peak 347 from nnoeabs.peaks (1.82, 8.81, 119.27 ppm; 5.37 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 57 + H SER 58 OK 100 100 - 100 - 4.4=100 Peak 348 from nnoeabs.peaks (0.84, 8.81, 119.27 ppm; 3.24 A): 2 out of 8 assignments used, quality = 0.83: * QG2 ILE 57 + H SER 58 OK 76 100 - 76 - 4.4=41, 3.2/346=22...(13) HG13 ILE 57 + H SER 58 OK 32 61 - 52 - 4.2/346=16, 3.2/7583=13...(10) QG2 ILE 15 - H SER 58 lone 4 97 - 4 - 2.1/9594=1, 9612/4.6=1 QD2 LEU 82 - H SER 58 lone 4 77 - 5 - 9980/9589=2 QG2 ILE 5 - H SER 58 lone 3 100 - 3 - HG13 ILE 5 - H SER 58 lone 3 98 - 3 - QG2 VAL 22 - H SER 58 lone 1 81 - 2 - QD1 LEU 14 - H SER 58 lone 0 61 - 1 - Peak 349 from nnoeabs.peaks (1.46, 8.81, 119.27 ppm; 4.74 A): 3 out of 14 assignments used, quality = 0.90: * HG12 ILE 57 + H SER 58 OK 86 100 - 86 - 4.2/346=33, 3.2/348=27...(10) HG12 ILE 7 + H SER 58 OK 22 100 - 23 - 3.0/9594=13, 3.2/9088=7...(4) HG2 LYS 106 + H SER 58 OK 11 100 - 11 - 6475=4, 7850/4.7=3, 1.8/6485=2 HB3 LEU 6 - H SER 58 lone 8 100 - 8 - 3.1/351=3, 3.1/11265=2 HG3 ARG 30 - H SER 58 lone 5 96 - 5 - 1373/4.7=4 HG LEU 4 - H SER 58 lone 3 94 - 3 - 1373/4.7=1 HB3 LEU 38 - H SER 58 lone 2 100 - 2 - HG3 LYS 49 - H SER 58 lone 2 100 - 2 - HG2 LYS 49 - H SER 58 lone 2 100 - 2 - HG3 LYS 20 - H SER 58 lone 2 73 - 2 - HG3 LYS 73 - H SER 58 lone 1 65 - 2 - HG2 LYS 39 - H SER 58 lone 1 100 - 1 - HB2 LEU 74 - H SER 58 lone 1 98 - 1 - HG LEU 80 - H SER 58 lone 1 61 - 1 - Peak 351 from nnoeabs.peaks (0.71, 8.81, 119.27 ppm; 3.86 A): 5 out of 9 assignments used, quality = 0.92: * QD1 ILE 57 + H SER 58 OK 74 100 - 74 - 4.2/346=23, 3.0/348=21...(12) QG2 ILE 56 + H SER 58 OK 34 84 - 41 - 11251/4.0=15...(6) QD2 LEU 81 + H SER 58 OK 27 100 - 27 - 11634/4.4=7, 4501/3.6=4...(9) QD2 LEU 63 + H SER 58 OK 23 100 - 23 - 11547/4.0=11, 9605/4.0=5...(4) QD1 LEU 6 + H SER 58 OK 14 96 - 14 - 11562/4.0=6, 9605/4.0=2...(6) QG2 ILE 18 - H SER 58 lone 6 90 - 7 - 4515/4.4=1, 4501/3.6=1 QG1 VAL 117 - H SER 58 lone 4 81 - 5 - QG2 VAL 78 - H SER 58 lone 2 65 - 3 - QD2 LEU 45 - H SER 58 lone 1 65 - 2 - Peak 353 from nnoeabs.peaks (5.01, 8.79, 122.38 ppm; 3.06 A): 1 out of 1 assignment used, quality = 0.74: * HA SER 58 + H ASN 59 OK 74 100 - 74 - 3.6=63, 3.0/354=14...(5) Peak 354 from nnoeabs.peaks (3.78, 8.79, 122.38 ppm; 4.31 A): 1 out of 3 assignments used, quality = 0.96: * HB2 SER 58 + H ASN 59 OK 96 100 - 96 - 4.5=85, 3.0/353=42...(5) HA LEU 68 - H ASN 59 lone 2 100 - 2 - HA LYS 65 - H ASN 59 lone 1 81 - 2 - Peak 355 from nnoeabs.peaks (3.42, 8.79, 122.38 ppm; 4.68 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 58 + H ASN 59 OK 100 100 - 100 - 4.5=100 Peak 356 from nnoeabs.peaks (8.79, 7.86, 119.74 ppm; 3.32 A): 2 out of 7 assignments used, quality = 0.85: * H ASN 59 + H ASP 60 OK 75 100 - 75 - 1902=48, 3.6/9629=16...(8) H SER 58 + H ASP 60 OK 41 73 - 56 - 3.0/9629=18, 4.6/1902=15...(6) H ILE 54 - H ASP 60 lone 2 92 - 2 - 4.0/9649=1 H ILE 18 - H ASP 60 lone 1 94 - 1 - H MET 42 - H ASP 60 lone 1 77 - 1 - H LYS 106 - H ASP 60 lone 0 84 - 1 - H VAL 29 - H ASP 60 lone 0 65 - 0 - Peak 357 from nnoeabs.peaks (4.71, 7.86, 119.74 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 59 + H ASP 60 OK 100 100 - 100 - 3.6=100 Peak 358 from nnoeabs.peaks (3.01, 7.86, 119.74 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 59 + H ASP 60 OK 100 100 - 100 - 4.6=100 Peak 359 from nnoeabs.peaks (2.87, 7.86, 119.74 ppm; 5.44 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 59 + H ASP 60 OK 100 100 - 100 - 4.6=100 Peak 362 from nnoeabs.peaks (7.86, 8.90, 125.82 ppm; 6.16 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 60 + H LYS 61 OK 100 100 - 100 - 4.6=100 Peak 363 from nnoeabs.peaks (4.86, 8.90, 125.82 ppm; 3.19 A): 1 out of 2 assignments used, quality = 0.71: * HA ASP 60 + H LYS 61 OK 71 100 - 71 - 3.6=71 HA ILE 54 - H LYS 61 lone 1 70 - 2 - 9662/366=1 Peak 364 from nnoeabs.peaks (2.73, 8.90, 125.82 ppm; 5.30 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 60 + H LYS 61 OK 100 100 - 100 - 4.3=100 Peak 365 from nnoeabs.peaks (2.57, 8.90, 125.82 ppm; 4.89 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 60 + H LYS 61 OK 100 100 - 100 - 4.3=100 Peak 366 from nnoeabs.peaks (8.90, 8.43, 118.92 ppm; 3.89 A): 1 out of 1 assignment used, quality = 0.79: * H LYS 61 + H GLN 62 OK 79 100 - 79 - 4.6=61, 3.7/368=18...(6) Peak 367 from nnoeabs.peaks (3.72, 8.43, 118.92 ppm; 4.51 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 61 + H GLN 62 OK 100 100 - 100 - 3.6=100 Peak 368 from nnoeabs.peaks (1.52, 8.43, 118.92 ppm; 4.39 A): 1 out of 11 assignments used, quality = 0.95: * HB2 LYS 61 + H GLN 62 OK 95 100 - 95 - 4.6=86, 3.7/366=31...(5) HG2 LYS 20 - H GLN 62 lone 6 90 - 6 - 7401/4.6=2, 4.9/1905=2 HG LEU 38 - H GLN 62 lone 4 99 - 4 - HG LEU 6 - H GLN 62 lone 2 100 - 2 - 2.1/9665=1 HB2 LEU 6 - H GLN 62 lone 2 94 - 2 - 3.1/9665=1 HD3 LYS 17 - H GLN 62 lone 1 100 - 1 - HB3 LEU 14 - H GLN 62 lone 1 61 - 2 - HG2 LYS 43 - H GLN 62 lone 1 99 - 1 - HB3 ARG 30 - H GLN 62 lone 1 100 - 1 - QB ALA 124 - H GLN 62 lone 1 84 - 1 - HG2 ARG 30 - H GLN 62 lone 0 57 - 1 - Peak 369 from nnoeabs.peaks (1.43, 8.43, 118.92 ppm; 4.44 A): 2 out of 11 assignments used, quality = 0.99: * HB3 LYS 61 + H GLN 62 OK 97 100 - 97 - 4.6=89, 1.8/368=33...(7) HB3 LEU 63 + H GLN 62 OK 59 98 - 60 - 4.0/1905=31, 1.8/9663=18...(6) HG12 ILE 56 - H GLN 62 lone 10 99 - 10 - 3.2/9534=4, 1411/4.6=3 HB3 LEU 4 - H GLN 62 lone 3 99 - 3 - 9043/9662=1 HB2 LEU 4 - H GLN 62 lone 3 99 - 3 - 9043/9662=1 HB3 GLN 83 - H GLN 62 lone 2 87 - 2 - HG3 LYS 17 - H GLN 62 lone 2 100 - 2 - HG LEU 80 - H GLN 62 lone 1 94 - 1 - HG2 LYS 96 - H GLN 62 lone 1 96 - 1 - HG3 LYS 44 - H GLN 62 lone 1 98 - 1 - HG LEU 4 - H GLN 62 lone 1 61 - 1 - Peak 370 from nnoeabs.peaks (1.03, 8.43, 118.92 ppm; 4.79 A): 1 out of 5 assignments used, quality = 0.73: * HG2 LYS 61 + H GLN 62 OK 73 100 - 73 - 3.0/368=30, 4.8/366=28...(5) HB2 PHE 79 - H GLN 62 lone 4 84 - 4 - 9895/9662=2 QD1 LEU 127 - H GLN 62 lone 3 70 - 4 - 2.1/9663=2 HG3 LYS 2 - H GLN 62 lone 2 98 - 2 - HG13 ILE 71 - H GLN 62 lone 2 97 - 2 - Peak 371 from nnoeabs.peaks (1.26, 8.43, 118.92 ppm; 5.99 A): 2 out of 6 assignments used, quality = 0.91: * HG3 LYS 61 + H GLN 62 OK 85 100 - 85 - 1.8/370=43, 4.8/366=40...(4) HG12 ILE 54 + H GLN 62 OK 38 96 - 40 - 4.1/9662=32, 3.2/9665=9 QG2 THR 108 - H GLN 62 lone 5 94 - 5 - HD2 LYS 2 - H GLN 62 lone 4 99 - 4 - 2.9/370=1 HD3 LYS 53 - H GLN 62 lone 4 90 - 5 - 3.0/11182=2 HG13 ILE 7 - H GLN 62 lone 4 99 - 4 - 3.2/9665=1 Peak 376 from nnoeabs.peaks (8.43, 7.67, 120.07 ppm; 3.20 A): 1 out of 5 assignments used, quality = 0.75: * H GLN 62 + H LEU 63 OK 75 100 - 75 - 1905=44, 2.9/377=21...(14) H VAL 32 - H LEU 63 lone 6 97 - 6 - 2082/4.6=2, 4.0/9671=2 H GLN 83 - H LEU 63 lone 5 100 - 5 - 2082/4.6=1 H ASN 10 - H LEU 63 lone 3 98 - 3 - H ILE 3 - H LEU 63 lone 0 92 - 1 - Peak 377 from nnoeabs.peaks (4.11, 7.67, 120.07 ppm; 3.44 A): 1 out of 7 assignments used, quality = 0.95: * HA GLN 62 + H LEU 63 OK 95 100 - 95 - 3.6=89, 2.9/1905=27...(9) HA LYS 20 - H LEU 63 lone 6 65 - 9 - 3.0/1869=2, 3.8/7401=2...(6) HA ASP 110 - H LEU 63 lone 3 92 - 3 - 2081/4.6=1 HA LYS 43 - H LEU 63 lone 1 70 - 1 - HB3 SER 72 - H LEU 63 lone 1 70 - 1 - HB2 SER 72 - H LEU 63 lone 1 70 - 1 - HA MET 1 - H LEU 63 lone 1 84 - 1 - Peak 378 from nnoeabs.peaks (2.17, 7.67, 120.07 ppm; 3.57 A): 2 out of 6 assignments used, quality = 0.95: * HB2 GLN 62 + H LEU 63 OK 78 100 - 78 - 4.6=46, 3.0/377=25...(10) HB3 GLN 62 + H LEU 63 OK 78 100 - 78 - 4.6=46, 3.0/377=25...(10) HB2 GLN 85 - H LEU 63 OK 16 98 - 16 - 3.0/7609=3, 3.0/7609=3...(7) HB3 GLU 37 - H LEU 63 lone 9 96 - 9 - 3.0/9673=3, 9366/4.7=3 HB2 GLU 98 - H LEU 63 lone 2 87 - 2 - HB3 GLU 13 - H LEU 63 lone 0 97 - 0 - Peak 379 from nnoeabs.peaks (2.17, 7.67, 120.07 ppm; 3.57 A): 2 out of 6 assignments used, quality = 0.95: HB2 GLN 62 + H LEU 63 OK 78 100 - 78 - 4.6=46, 3.0/377=25...(10) * HB3 GLN 62 + H LEU 63 OK 78 100 - 78 - 4.6=46, 3.0/377=25...(10) HB2 GLN 85 - H LEU 63 OK 16 98 - 16 - 3.0/7609=3, 3.0/7609=3...(7) HB3 GLU 37 - H LEU 63 lone 9 96 - 9 - 3.0/9673=3, 9366/4.7=3 HB2 GLU 98 - H LEU 63 lone 2 87 - 2 - HB3 GLU 13 - H LEU 63 lone 0 97 - 0 - Peak 380 from nnoeabs.peaks (2.41, 7.67, 120.07 ppm; 5.04 A): 2 out of 9 assignments used, quality = 0.97: * HG2 GLN 62 + H LEU 63 OK 83 100 - 83 - 3.9/377=35, 5.2/1905=28...(11) HG3 GLN 62 + H LEU 63 OK 83 100 - 83 - 3.9/377=35, 5.2/1905=28...(11) HG2 GLN 85 - H LEU 63 OK 41 98 - 42 - 7609=6, 1.8/7609=6...(15) HG3 GLN 85 - H LEU 63 OK 40 96 - 42 - 7609=6, 1.8/7609=6...(15) HG3 MET 67 - H LEU 63 OK 24 65 - 36 - 1.8/9672=14, 3.3/1410=6...(6) HB2 ASP 110 - H LEU 63 lone 5 100 - 5 - ~11047=1, 3.0/377=1 HG2 GLU 91 - H LEU 63 lone 4 99 - 4 - 11663/4.0=2 HG2 GLN 122 - H LEU 63 lone 4 97 - 4 - HG2 MET 1 - H LEU 63 lone 1 73 - 2 - Peak 381 from nnoeabs.peaks (2.41, 7.67, 120.07 ppm; 5.04 A): 2 out of 9 assignments used, quality = 0.97: * HG3 GLN 62 + H LEU 63 OK 83 100 - 83 - 3.9/377=35, 5.2/1905=28...(11) HG2 GLN 62 + H LEU 63 OK 83 100 - 83 - 3.9/377=35, 5.2/1905=28...(11) HG2 GLN 85 - H LEU 63 OK 42 99 - 42 - 7609=6, 1.8/7609=6...(15) HG3 GLN 85 - H LEU 63 OK 41 97 - 42 - 7609=6, 1.8/7609=6...(15) HG3 MET 67 - H LEU 63 OK 26 70 - 37 - 1.8/9672=14, 3.3/1410=6...(6) HB2 ASP 110 - H LEU 63 lone 5 99 - 5 - ~11047=1, 3.0/377=1 HG2 GLN 122 - H LEU 63 lone 4 98 - 4 - HG2 GLU 91 - H LEU 63 lone 4 99 - 4 - 11663/4.0=2 HG2 MET 1 - H LEU 63 lone 1 70 - 2 - Peak 384 from nnoeabs.peaks (7.67, 7.63, 117.70 ppm; 2.73 A): 1 out of 3 assignments used, quality = 0.50: * H LEU 63 + H LEU 64 OK 50 100 - 50 - 4.6=21, 3.6/2081=8...(11) H GLU 21 - H LEU 64 lone 8 98 - 8 - 4716/4.6=1, 4723/4.6=1...(4) HE ARG 118 - H LEU 64 lone 8 99 - 8 - 2086/4.6=2, 4716/4.6=1...(4) Peak 385 from nnoeabs.peaks (4.13, 7.63, 117.70 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 63 + H LEU 64 OK 100 100 - 100 - 3.6=100 Peak 386 from nnoeabs.peaks (1.87, 7.63, 117.70 ppm; 3.45 A): 2 out of 12 assignments used, quality = 0.82: * HB2 LEU 63 + H LEU 64 OK 73 100 - 73 - 4.6=41, 4.0/384=17...(12) QE MET 67 + H LEU 64 OK 32 94 - 34 - 9729/2.9=9, 9736=6...(11) HB3 ARG 118 - H LEU 64 lone 10 100 - 10 - 1774/4.6=2, 4.1/1907=2...(4) QE MET 42 - H LEU 64 lone 8 99 - 8 - 9431/4.8=1 HG LEU 45 - H LEU 64 lone 6 90 - 7 - 2.1/390=2, 2.1/390=1 HB2 LYS 20 - H LEU 64 lone 3 61 - 6 - 4.6/384=2, 3.0/2081=2 HB3 LYS 20 - H LEU 64 lone 3 61 - 6 - 4.6/384=2, 3.0/2081=2 HG2 ARG 95 - H LEU 64 lone 2 99 - 2 - HB2 ARG 105 - H LEU 64 lone 2 81 - 2 - HB2 LYS 16 - H LEU 64 lone 1 94 - 1 - HB3 LYS 16 - H LEU 64 lone 1 92 - 1 - HG LEU 127 - H LEU 64 lone 1 84 - 1 - Peak 387 from nnoeabs.peaks (1.43, 7.63, 117.70 ppm; 3.90 A): 4 out of 11 assignments used, quality = 0.93: * HB3 LEU 63 + H LEU 64 OK 86 100 - 86 - 4.6=60, 4.0/384=22...(12) HB3 LYS 61 + H LEU 64 OK 28 98 - 29 - 3.0/8096=15, 4.6/2082=9...(5) HG12 ILE 56 + H LEU 64 OK 15 100 - 15 - 11706/4.8=6, 4477/4.8=3...(5) QB ALA 113 + H LEU 64 OK 13 73 - 18 - 3.7/1957=4, 2.9/2188=2...(8) HB3 GLN 83 - H LEU 64 lone 5 98 - 5 - 4.0/2082=2, 10007/4.8=1 HG LEU 80 - H LEU 64 lone 4 77 - 5 - 2.1/1421=2, 2.1/1421=1 HG2 LYS 96 - H LEU 64 lone 2 81 - 3 - HG3 LYS 17 - H LEU 64 lone 2 100 - 2 - HG3 LYS 44 - H LEU 64 lone 2 87 - 2 - HB3 LEU 4 - H LEU 64 lone 2 90 - 2 - HB2 LEU 4 - H LEU 64 lone 2 90 - 2 - Peak 389 from nnoeabs.peaks (0.71, 7.63, 117.70 ppm; 4.49 A): 1 out of 9 assignments used, quality = 0.97: * QD2 LEU 63 + H LEU 64 OK 97 100 - 97 - 4.8=81, 4738/3.6=32...(16) QD1 LEU 6 - H LEU 64 OK 33 98 - 34 - 2.1/390=8, 10964/3.6=6...(10) QG1 VAL 117 - H LEU 64 OK 32 87 - 37 - 10519/2.9=7, 10965/3.6=7...(11) QD2 LEU 81 - H LEU 64 OK 26 100 - 27 - 2.1/1421=7, 11636/3.6=4...(9) QG2 ILE 56 - H LEU 64 OK 14 77 - 19 - 10946/4.6=5, 4714/3.6=4...(6) QD2 LEU 45 - H LEU 64 OK 11 73 - 15 - 2.1/390=3, 2.1/386=2...(8) QG2 ILE 18 - H LEU 64 lone 8 94 - 8 - 3.2/390=1, 10964/3.6=1...(4) QD1 ILE 57 - H LEU 64 lone 5 100 - 5 - QG2 VAL 78 - H LEU 64 lone 3 73 - 4 - Peak 390 from nnoeabs.peaks (0.74, 7.63, 117.70 ppm; 3.94 A): 2 out of 9 assignments used, quality = 0.91: * QD1 LEU 63 + H LEU 64 OK 88 100 - 88 - 4.8=55, 4715/3.6=21...(15) QD2 LEU 6 + H LEU 64 OK 27 98 - 28 - 2.1/389=4, 11488/3.6=4...(9) QD1 LEU 45 - H LEU 64 poor 10 84 - 12 - 7523=2, 2.1/386=2...(6) QD2 LEU 45 - H LEU 64 lone 7 73 - 10 - 2.1/7523=2, 2.1/386=2...(5) HG13 ILE 18 - H LEU 64 lone 6 87 - 6 - QG2 ILE 7 - H LEU 64 lone 5 100 - 5 - QG2 ILE 54 - H LEU 64 lone 4 99 - 4 - QD2 LEU 55 - H LEU 64 lone 2 99 - 2 - QG2 VAL 78 - H LEU 64 lone 2 73 - 3 - Peak 391 from nnoeabs.peaks (7.63, 8.04, 118.31 ppm; 3.75 A): 3 out of 30 assignments used, quality = 0.94: * H LEU 64 + H LYS 65 OK 85 100 - 85 - 4.6=55, 1417/4.2=14...(14) H LYS 115 + H LYS 65 OK 43 94 - 46 - 3.0/8261=9, 8129/3.0=8...(17) H GLU 69 + H LYS 65 OK 31 100 - 31 - 8129/3.0=9, 4.9/9747=5...(10) H LYS 115 - H ARG 118 OK 21 59 - 36 - 3.0/8261=13, 2198/4.7=6...(7) H LEU 64 - H ARG 118 OK 16 68 - 24 - 1907=6, 389/4.3=2...(9) H LEU 64 - H THR 9 OK 12 79 - 15 - 1907=4, 4.7/396=2...(5) H ALA 46 - H LYS 65 lone 6 90 - 7 - 8129/3.0=1, 2.9/1426=1 HE21 GLN 85 - H LYS 65 lone 6 100 - 6 - H GLN 100 - H LYS 65 lone 5 100 - 5 - H ASP 34 - H LYS 65 lone 4 92 - 4 - H GLU 69 - H ARG 118 lone 3 68 - 5 - H LYS 115 - H THR 9 lone 3 69 - 4 - H LEU 74 - H LYS 65 lone 3 70 - 4 - HD21 ASN 10 - H THR 9 lone 2 54 - 4 - 5.6/1858=3 HD21 ASN 50 - H LYS 65 lone 2 97 - 2 - H GLU 69 - H THR 9 lone 2 79 - 2 - H ASP 34 - H THR 9 lone 2 67 - 2 - 9319/3.9=1 H GLN 100 - H ARG 118 lone 1 67 - 2 - H ASP 34 - H ARG 118 lone 1 57 - 2 - H ALA 46 - H ARG 118 lone 1 55 - 2 - H LEU 74 - H ARG 118 lone 1 40 - 2 - HE21 GLN 85 - H THR 9 lone 1 78 - 1 - HD21 ASN 10 - H LYS 65 lone 1 77 - 1 - H GLN 100 - H THR 9 lone 1 78 - 1 - HE21 GLN 85 - H ARG 118 lone 1 67 - 1 - H ALA 46 - H THR 9 lone 1 65 - 1 - H LEU 74 - H THR 9 lone 1 48 - 1 - HD21 ASN 50 - H THR 9 lone 0 73 - 1 - HD21 ASN 50 - H ARG 118 lone 0 62 - 1 - HD21 ASN 10 - H ARG 118 lone 0 45 - 0 - Peak 392 from nnoeabs.peaks (3.91, 8.04, 118.31 ppm; 3.68 A): 2 out of 2 assignments used, quality = 1.00: * HA LEU 64 + H LYS 65 OK 100 100 - 100 - 3.6=100 HA ARG 118 + H ARG 118 OK 48 48 - 100 - 2.9=100 Peak 393 from nnoeabs.peaks (1.79, 8.04, 118.31 ppm; 3.60 A): 4 out of 30 assignments used, quality = 0.94: * HB2 LEU 64 + H LYS 65 OK 80 100 - 80 - 4.2=61, 3.6/1907=12...(9) HB2 ARG 118 + H ARG 118 OK 49 57 - 86 - 4.1=70, 4.2/747=13...(11) HB2 ARG 118 + H LYS 65 OK 32 92 - 35 - 3.0/6875=6, 8263/3.0=5...(13) HB2 LEU 64 + H ARG 118 OK 13 68 - 20 - 10520/4.3=5, 10964/4.3=3...(5) HB2 LEU 90 - H LYS 65 poor 9 84 - 11 - 5782=2, 3.1/5803=2...(5) HB2 LEU 64 - H THR 9 poor 8 79 - 11 - 3.1/396=3, 3.1/397=2...(5) HB2 LYS 19 - H LYS 65 lone 5 100 - 6 - 11029/4.7=2, 4781/4.7=2 HB VAL 32 - H LYS 65 lone 5 84 - 6 - 1417/4.6=3, 2.1/1065=2 HB ILE 97 - H LYS 65 lone 3 61 - 5 - 10134/4.7=2, ~10124=1 HB2 LEU 90 - H THR 9 lone 3 59 - 4 - HG2 ARG 105 - H LYS 65 lone 2 73 - 3 - HB2 LYS 19 - H ARG 118 lone 2 68 - 3 - 10520/4.3=2 HG12 ILE 5 - H THR 9 lone 2 44 - 5 - ~10741=1, 10975/3.9=1 HB3 GLN 28 - H LYS 65 lone 1 98 - 1 - HB2 ARG 118 - H THR 9 lone 1 67 - 2 - HB2 LEU 90 - H ARG 118 lone 1 50 - 2 - HG2 ARG 105 - H ARG 118 lone 1 42 - 3 - 749/4.6=1 HB VAL 32 - H ARG 118 lone 1 50 - 2 - HB3 GLN 28 - H ARG 118 lone 1 64 - 1 - HB ILE 3 - H LYS 65 lone 1 70 - 1 - HB2 LYS 19 - H THR 9 lone 1 79 - 1 - HB VAL 32 - H THR 9 lone 1 59 - 1 - HG12 ILE 5 - H LYS 65 lone 1 65 - 1 - HG12 ILE 5 - H ARG 118 lone 1 37 - 1 - HB ILE 3 - H THR 9 lone 0 48 - 1 - HB ILE 97 - H ARG 118 lone 0 34 - 1 - HB3 GLN 28 - H THR 9 lone 0 74 - 1 - HG2 ARG 105 - H THR 9 lone 0 51 - 1 - HB ILE 97 - H THR 9 lone 0 41 - 1 - HB ILE 3 - H ARG 118 lone 0 40 - 1 - Peak 394 from nnoeabs.peaks (1.63, 8.04, 118.31 ppm; 3.38 A): 6 out of 36 assignments used, quality = 0.89: * HB3 LEU 64 + H LYS 65 OK 71 100 - 71 - 4.2=51, 1.8/393=11...(9) HG LEU 64 + H LYS 65 OK 31 84 - 37 - 2.1/397=9, 3.0/393=9...(7) HG LEU 63 + H LYS 65 OK 15 94 - 16 - 3.7/8109=5, 5.1/2086=4...(4) HB ILE 116 + H ARG 118 OK 14 68 - 21 - 7897/4.7=7, 10521/4.3=6...(6) HB ILE 116 + H LYS 65 OK 13 100 - 13 - 8253/3.0=2, 4.4/1960=2...(6) HB3 LEU 64 + H ARG 118 OK 12 68 - 18 - 10521/4.3=4, 10965/4.3=3...(7) HB3 LEU 64 - H THR 9 poor 9 79 - 11 - 3.1/396=3, 9103/4.6=2...(6) HG LEU 90 - H LYS 65 lone 8 92 - 9 - 2.1/5803=2, 2.1/5810=2...(4) HB2 LEU 82 - H THR 9 lone 6 71 - 8 - 9103/4.6=2, 4.5/1858=2 HG LEU 64 - H THR 9 lone 5 59 - 9 - 2.1/396=3, 2.1/397=2...(4) HG LEU 64 - H ARG 118 poor 5 50 - 11 - 10511/4.3=2, 5.2/1907=2...(4) HG LEU 63 - H ARG 118 lone 5 59 - 9 - 10521/4.3=2, 3.7/8109=2 HB2 LEU 82 - H LYS 65 lone 5 96 - 5 - HG LEU 63 - H THR 9 lone 4 69 - 6 - 11254/3.9=2, ~11585=2 HB2 LEU 82 - H ARG 118 lone 4 61 - 6 - 10521/4.3=2 HG LEU 90 - H THR 9 lone 2 67 - 4 - 2.1/5803=1 HD2 LYS 77 - H LYS 65 lone 2 99 - 2 - HD3 LYS 77 - H LYS 65 lone 2 98 - 2 - HB ILE 5 - H ARG 118 lone 1 40 - 4 - 10511/4.3=1 HB ILE 5 - H THR 9 lone 1 48 - 3 - ~10741=1 HG2 LYS 16 - H LYS 65 lone 1 100 - 1 - HG LEU 90 - H ARG 118 lone 1 57 - 2 - HG3 LYS 40 - H LYS 65 lone 1 94 - 1 - HB ILE 116 - H THR 9 lone 1 79 - 1 - HG2 LYS 16 - H ARG 118 lone 1 67 - 1 - HB3 LEU 127 - H LYS 65 lone 1 73 - 1 - HB ILE 5 - H LYS 65 lone 1 70 - 1 - HD2 LYS 77 - H ARG 118 lone 1 65 - 1 - HD3 LYS 77 - H ARG 118 lone 1 64 - 1 - HG3 LYS 40 - H ARG 118 lone 0 59 - 1 - HD2 LYS 77 - H THR 9 lone 0 76 - 1 - HD3 LYS 77 - H THR 9 lone 0 74 - 1 - HG2 LYS 16 - H THR 9 lone 0 78 - 0 - HG3 LYS 40 - H THR 9 lone 0 69 - 0 - HB3 LEU 127 - H THR 9 lone 0 51 - 0 - HB3 LEU 127 - H ARG 118 lone 0 42 - 1 - Peak 395 from nnoeabs.peaks (1.64, 8.04, 118.31 ppm; 3.38 A): 4 out of 51 assignments used, quality = 0.96: HD3 LYS 65 + H LYS 65 OK 61 94 - 64 - 6.1=17, 3.0/1426=11...(17) HB3 LEU 64 + H LYS 65 OK 59 84 - 70 - 4.2=51, 1.8/393=11...(8) HD2 LYS 65 + H LYS 65 OK 56 87 - 64 - 6.1=17, 3.0/1426=11...(17) * HG LEU 64 + H LYS 65 OK 38 100 - 38 - 2.1/397=9, 3.0/393=9...(7) HD2 LYS 115 - H LYS 65 OK 30 81 - 38 - 2.9/1426=5, 4.9/8261=4...(19) HD3 LYS 115 - H LYS 65 OK 26 70 - 38 - 2.9/1426=5, 4.9/8261=4...(19) HG LEU 114 - H LYS 65 OK 15 94 - 16 - 3.7/2088=3, 2.1/396=3...(7) HB ILE 116 - H LYS 65 OK 10 87 - 12 - 8253/3.0=2, 4.4/1960=2...(5) HG LEU 90 - H LYS 65 lone 10 100 - 10 - 2.1/5803=2, 2.1/5810=2...(4) HB ILE 116 - H ARG 118 poor 9 52 - 17 - 4.4/1960=6, 10511/4.3=3...(5) HG LEU 64 - H ARG 118 poor 8 68 - 11 - 10511/4.3=2, 5.2/1907=2...(4) HG LEU 64 - H THR 9 lone 7 79 - 9 - 2.1/396=3, 2.1/397=2...(4) HB3 LEU 64 - H ARG 118 poor 7 50 - 15 - 10965/4.3=3, 3.6/1907=3...(6) HG LEU 114 - H ARG 118 poor 6 59 - 11 - 3.7/8259=3, 10511/4.3=1...(5) HB3 LEU 64 - H THR 9 lone 5 59 - 9 - 3.1/396=3, 3.1/397=2...(5) HD2 LYS 115 - H ARG 118 poor 5 48 - 11 - 4.9/8261=6, 2.9/1426=1 HD3 LYS 115 - H ARG 118 poor 4 40 - 11 - 4.9/8261=6, 2.9/1426=1 HG LEU 90 - H THR 9 lone 3 78 - 4 - 2.1/5803=1 HB ILE 5 - H ARG 118 lone 3 66 - 4 - 10938/4.3=2 HD3 LYS 65 - H ARG 118 lone 3 59 - 4 - HB ILE 5 - H THR 9 lone 2 77 - 3 - ~10741=1 HD2 LYS 65 - H ARG 118 lone 2 52 - 4 - HD3 LYS 65 - H THR 9 lone 2 69 - 3 - HG LEU 114 - H THR 9 lone 2 69 - 3 - 2.1/396=1 HD2 LYS 65 - H THR 9 lone 2 62 - 3 - HG LEU 90 - H ARG 118 lone 1 67 - 2 - HB ILE 5 - H LYS 65 lone 1 99 - 1 - HD2 LYS 77 - H LYS 65 lone 1 65 - 2 - HD3 LYS 77 - H LYS 65 lone 1 61 - 2 - HD2 LYS 115 - H THR 9 lone 1 56 - 2 - HG2 LYS 16 - H LYS 65 lone 1 77 - 1 - HD2 LYS 49 - H LYS 65 lone 1 90 - 1 - HD3 LYS 49 - H LYS 65 lone 1 90 - 1 - HB2 ARG 30 - H LYS 65 lone 1 87 - 1 - HD3 LYS 115 - H THR 9 lone 1 48 - 2 - HB ILE 116 - H THR 9 lone 1 62 - 1 - HB2 GLU 52 - H LYS 65 lone 0 81 - 1 - HG2 LYS 16 - H ARG 118 lone 0 45 - 1 - HB2 ARG 30 - H ARG 118 lone 0 52 - 1 - HD2 LYS 77 - H ARG 118 lone 0 37 - 1 - HD2 LYS 49 - H THR 9 lone 0 65 - 0 - HD3 LYS 49 - H THR 9 lone 0 65 - 0 - HB2 ARG 30 - H THR 9 lone 0 62 - 0 - HD3 LYS 77 - H ARG 118 lone 0 34 - 1 - HD2 LYS 49 - H ARG 118 lone 0 55 - 0 - HD3 LYS 49 - H ARG 118 lone 0 55 - 0 - HG2 LYS 16 - H THR 9 lone 0 54 - 0 - HB2 GLU 52 - H THR 9 lone 0 56 - 0 - HB2 GLU 52 - H ARG 118 lone 0 48 - 0 - HD2 LYS 77 - H THR 9 lone 0 44 - 0 - HD3 LYS 77 - H THR 9 lone 0 41 - 0 - Peak 396 from nnoeabs.peaks (0.81, 8.04, 118.31 ppm; 3.92 A): 4 out of 21 assignments used, quality = 0.95: * QD1 LEU 64 + H LYS 65 OK 85 100 - 85 - 4.7=58, 4780/3.6=22...(15) QD1 LEU 64 + H THR 9 OK 33 79 - 42 - 11688/3.6=16...(11) QD2 LEU 82 + H THR 9 OK 28 65 - 43 - 9970/4.6=15, 9971/4.6=15...(6) QD1 LEU 114 + H LYS 65 OK 27 94 - 29 - 4756/3.6=5, 1420/4.6=4...(10) QG2 ILE 71 - H LYS 65 OK 23 100 - 23 - 9775/9747=3, ~8147=3...(11) QD1 LEU 114 - H THR 9 OK 15 69 - 21 - 10448/4.6=7, 9104/4.6=6...(4) QD2 LEU 82 - H LYS 65 poor 10 90 - 11 - 9982/11668=2, 2.1/397=1 QD1 LEU 64 - H ARG 118 poor 10 68 - 15 - 4.7/1907=3, 3.1/393=2...(7) QD1 LEU 114 - H ARG 118 poor 9 59 - 16 - 3.9/8259=5, 10435/4.7=3...(6) QD2 LEU 82 - H ARG 118 poor 7 55 - 13 - 11492/3.6=11 QG2 ILE 71 - H THR 9 lone 6 78 - 8 - 9099/3.6=2, 9104/4.6=2...(4) QD1 LEU 74 - H LYS 65 lone 5 100 - 5 - QD2 LEU 74 - H LYS 65 lone 4 99 - 4 - QD1 LEU 74 - H THR 9 lone 3 78 - 3 - QD2 LEU 74 - H THR 9 lone 2 76 - 3 - QG2 ILE 71 - H ARG 118 lone 2 67 - 3 - QD1 LEU 74 - H ARG 118 lone 1 67 - 2 - QG1 VAL 29 - H LYS 65 lone 1 81 - 1 - QD2 LEU 74 - H ARG 118 lone 1 65 - 1 - QG1 VAL 29 - H THR 9 lone 1 56 - 1 - QG1 VAL 29 - H ARG 118 lone 0 48 - 1 - Peak 397 from nnoeabs.peaks (0.78, 8.04, 118.31 ppm; 3.95 A): 2 out of 24 assignments used, quality = 0.93: * QD2 LEU 64 + H LYS 65 OK 86 100 - 86 - 4.7=59, 4787/3.6=26...(16) QD1 LEU 81 + H LYS 65 OK 48 98 - 49 - 11606/3.0=9, 10805/5.0=7...(16) QD2 LEU 64 - H THR 9 OK 22 79 - 28 - 11393/4.6=12, 9101/4.6=8...(7) QD1 LEU 81 - H ARG 118 OK 11 64 - 17 - 11601/4.7=7, 11602=2...(5) QD1 LEU 82 - H LYS 65 OK 11 99 - 11 - 10805/5.0=2, 2.1/396=1...(4) QD1 LEU 82 - H THR 9 poor 10 76 - 13 - 9101/4.6=8, 2.1/396=4 QD2 LEU 64 - H ARG 118 poor 10 68 - 14 - 4.7/1907=3, 3.1/393=2...(7) QD2 LEU 80 - H LYS 65 lone 8 97 - 9 - 10805/5.0=2, 4757/3.6=1 QD1 ILE 7 - H ARG 118 poor 8 42 - 18 - 9077/3.6=10, 9076/4.4=5 QD1 ILE 7 - H THR 9 poor 8 51 - 15 - 7332/4.6=7, 11584/3.9=4 QD1 LEU 80 - H LYS 65 lone 7 96 - 7 - 10805/5.0=1 QD1 ILE 7 - H LYS 65 lone 4 73 - 6 - QD1 ILE 15 - H THR 9 poor 4 41 - 10 - ~10741=5, 9129/4.6=2, 2716/3.9=2 QD1 LEU 82 - H ARG 118 lone 4 65 - 6 - 11392/4.4=3 QD1 LEU 81 - H THR 9 lone 2 74 - 3 - QD2 LEU 80 - H ARG 118 lone 2 62 - 3 - QD1 LEU 80 - H ARG 118 lone 1 61 - 2 - QD1 ILE 15 - H ARG 118 lone 1 34 - 3 - 11195/3.6=1 QG1 VAL 29 - H LYS 65 lone 1 70 - 1 - QD2 LEU 80 - H THR 9 lone 1 73 - 1 - QD1 ILE 15 - H LYS 65 lone 1 61 - 1 - QD1 LEU 80 - H THR 9 lone 1 71 - 1 - QG1 VAL 29 - H THR 9 lone 0 48 - 1 - QG1 VAL 29 - H ARG 118 lone 0 40 - 1 - Peak 398 from nnoeabs.peaks (8.04, 7.80, 119.36 ppm; 3.76 A): 4 out of 9 assignments used, quality = 0.88: * H LYS 65 + H GLU 66 OK 82 100 - 82 - 4.6=53, 4.6/2084=14...(12) H LEU 90 + H GLU 66 OK 15 94 - 16 - 4.4/9696=4, 3.6/2092=2...(6) H GLN 122 + H GLU 66 OK 13 73 - 18 - 3.0/2092=4, 4.6/1909=4...(7) H ARG 118 + H GLU 66 OK 11 87 - 13 - 1908=4, 1907/2084=1...(4) H THR 9 - H GLU 66 lone 7 98 - 7 - 1908=3 H SER 72 - H GLU 66 lone 4 77 - 6 - 2123/3.6=2 H VAL 22 - H GLU 66 lone 4 100 - 4 - 3.0/2092=1 H ASP 109 - H GLU 66 lone 4 100 - 4 - H GLY 26 - H GLU 66 lone 1 65 - 1 - Peak 399 from nnoeabs.peaks (3.79, 7.80, 119.36 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 65 + H GLU 66 OK 100 100 - 100 - 3.6=100 Peak 400 from nnoeabs.peaks (1.93, 7.80, 119.36 ppm; 2.98 A): 4 out of 20 assignments used, quality = 0.88: * HB2 LYS 65 + H GLU 66 OK 60 100 - 60 - 4.7=26, 4.0/1908=12...(10) HB3 LYS 65 + H GLU 66 OK 60 100 - 60 - 4.7=26, 1.8/7624=12...(10) HB3 LYS 115 + H GLU 66 OK 16 100 - 16 - 7624=4, 3.0/402=4...(4) HB2 LYS 115 + H GLU 66 OK 15 98 - 15 - 7624=4, 3.0/402=4...(4) HB2 LYS 123 - H GLU 66 lone 8 100 - 8 - 3.7/1909=3, 7624=2 HB3 MET 42 - H GLU 66 lone 3 73 - 4 - 3.9/11316=2 HB2 LEU 81 - H GLU 66 lone 3 77 - 3 - 3.0/403=2 HB2 LYS 39 - H GLU 66 lone 3 100 - 2 - HB3 LYS 39 - H GLU 66 lone 2 81 - 2 - HB3 GLU 41 - H GLU 66 lone 1 77 - 2 - 4.7/11316=1 HB VAL 104 - H GLU 66 lone 1 87 - 2 - 2.1/9696=1 HB2 GLU 41 - H GLU 66 lone 1 73 - 2 - 4.7/11316=1 HB3 LYS 40 - H GLU 66 lone 1 90 - 1 - HG2 MET 121 - H GLU 66 lone 1 70 - 1 - HB2 LEU 127 - H GLU 66 lone 1 100 - 1 - HB2 LEU 70 - H GLU 66 lone 1 96 - 1 - HB3 LYS 17 - H GLU 66 lone 0 87 - 0 - HB VAL 29 - H GLU 66 lone 0 61 - 1 - HB3 GLU 52 - H GLU 66 lone 0 65 - 1 - HB ILE 15 - H GLU 66 lone 0 61 - 0 - Peak 401 from nnoeabs.peaks (1.93, 7.80, 119.36 ppm; 2.98 A): 4 out of 20 assignments used, quality = 0.88: HB2 LYS 65 + H GLU 66 OK 60 100 - 60 - 4.7=26, 4.0/1908=12...(10) * HB3 LYS 65 + H GLU 66 OK 60 100 - 60 - 4.7=26, 1.8/7624=12...(10) HB3 LYS 115 + H GLU 66 OK 16 100 - 16 - 7624=4, 3.0/402=4...(4) HB2 LYS 115 + H GLU 66 OK 15 99 - 15 - 7624=4, 3.0/402=4...(4) HB2 LYS 123 - H GLU 66 lone 8 100 - 8 - 3.7/1909=3, 7624=2 HB3 LYS 123 - H GLU 66 lone 4 61 - 6 - 3.7/1909=3, 1.8/7624=2 HB2 LEU 81 - H GLU 66 lone 3 81 - 3 - 3.0/403=2 HB3 MET 42 - H GLU 66 lone 3 70 - 4 - 3.9/11316=2 HB2 LYS 39 - H GLU 66 lone 3 100 - 2 - HB3 LYS 39 - H GLU 66 lone 1 77 - 2 - HB VAL 104 - H GLU 66 lone 1 84 - 2 - 2.1/9696=1 HB3 GLU 41 - H GLU 66 lone 1 73 - 2 - 4.7/11316=1 HB2 GLU 41 - H GLU 66 lone 1 70 - 2 - 4.7/11316=1 HB3 LYS 40 - H GLU 66 lone 1 87 - 1 - HG2 MET 121 - H GLU 66 lone 1 73 - 1 - HB2 LEU 127 - H GLU 66 lone 1 100 - 1 - HB2 LEU 70 - H GLU 66 lone 0 94 - 1 - HB3 LYS 17 - H GLU 66 lone 0 90 - 0 - HB ILE 15 - H GLU 66 lone 0 65 - 0 - HB3 GLU 52 - H GLU 66 lone 0 61 - 1 - Peak 402 from nnoeabs.peaks (1.55, 7.80, 119.36 ppm; 3.87 A): 2 out of 10 assignments used, quality = 0.81: * HG2 LYS 65 + H GLU 66 OK 74 100 - 74 - 7625=30, 1.8/7626=24...(10) HG2 LYS 115 + H GLU 66 OK 27 87 - 31 - 7625=10, 4797/3.6=7...(9) QB ALA 46 - H GLU 66 lone 6 100 - 6 - HD3 LYS 94 - H GLU 66 lone 3 87 - 3 - 4797/3.6=1 HD2 LYS 94 - H GLU 66 lone 3 87 - 3 - 4797/3.6=1 HG12 ILE 3 - H GLU 66 lone 2 87 - 2 - HB VAL 78 - H GLU 66 lone 2 96 - 2 - HD2 LYS 106 - H GLU 66 lone 1 87 - 1 - HD3 LYS 106 - H GLU 66 lone 1 84 - 1 - HG LEU 55 - H GLU 66 lone 1 70 - 1 - Peak 403 from nnoeabs.peaks (1.34, 7.80, 119.36 ppm; 4.86 A): 3 out of 4 assignments used, quality = 0.91: * HG3 LYS 65 + H GLU 66 OK 88 100 - 88 - 7626=48, 1.8/7625=34...(11) HG LEU 81 + H GLU 66 OK 16 100 - 16 - 4798/3.6=9, 1427/4.6=5 HB3 LEU 81 + H GLU 66 OK 10 87 - 12 - 4798/3.6=6, 1427/4.6=4 HG2 LYS 77 - H GLU 66 lone 2 90 - 2 - Peak 408 from nnoeabs.peaks (7.80, 8.39, 118.40 ppm; 3.27 A): 1 out of 2 assignments used, quality = 0.71: * H GLU 66 + H MET 67 OK 71 100 - 71 - 4.7=35, 3.7/411=12...(13) H LYS 96 - H MET 67 lone 4 70 - 6 - Peak 409 from nnoeabs.peaks (4.03, 8.39, 118.40 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 66 + H MET 67 OK 100 100 - 100 - 3.6=100 Peak 410 from nnoeabs.peaks (2.04, 8.39, 118.40 ppm; 3.08 A): 3 out of 17 assignments used, quality = 0.93: * HB2 GLU 66 + H MET 67 OK 73 100 - 73 - 4.1=43, 1.8/411=18...(9) HB3 MET 67 + H MET 67 OK 68 94 - 73 - 4.0=44, 3.0/1442=17...(9) HB3 GLN 100 + H MET 67 OK 14 96 - 15 - 1.8/1440=3, 11121/2.9=3...(5) HB3 GLN 85 - H MET 67 lone 8 100 - 8 - 3.0/1443=1, 1.8/413=1...(4) HB2 GLU 89 - H MET 67 lone 4 100 - 4 - 4889/4.7=1 HB3 GLU 89 - H MET 67 lone 4 100 - 4 - 4889/4.7=1 HB3 GLU 87 - H MET 67 lone 4 100 - 4 - 1.8/411=1 HB VAL 117 - H MET 67 lone 4 97 - 4 - HB3 GLU 98 - H MET 67 lone 3 84 - 3 - HB2 GLU 92 - H MET 67 lone 3 84 - 3 - HB2 MET 1 - H MET 67 lone 2 92 - 2 - HG3 GLU 52 - H MET 67 lone 1 99 - 1 - HB2 GLU 48 - H MET 67 lone 1 100 - 1 - HB3 GLU 48 - H MET 67 lone 1 100 - 1 - HB3 GLU 111 - H MET 67 lone 1 70 - 1 - HB2 GLU 47 - H MET 67 lone 1 73 - 1 - HB2 GLN 25 - H MET 67 lone 1 61 - 1 - Peak 411 from nnoeabs.peaks (2.09, 8.39, 118.40 ppm; 3.38 A): 2 out of 15 assignments used, quality = 0.85: * HB3 GLU 66 + H MET 67 OK 81 100 - 81 - 4.1=57, 3.7/408=21...(8) HB3 GLU 69 + H MET 67 OK 24 99 - 24 - 7633=5, 1.8/1440=5...(8) HB2 GLU 87 - H MET 67 lone 7 100 - 7 - 5704/3.6=2, 4910/5.0=1 HB2 GLU 112 - H MET 67 lone 5 94 - 6 - 7633=1, 1.8/7633=1 HB3 GLU 112 - H MET 67 lone 5 92 - 6 - 7633=1, 1.8/7633=1 HB3 MET 121 - H MET 67 lone 4 73 - 6 - 4.6/1965=3, 4.0/2228=2 HB3 GLU 92 - H MET 67 lone 3 81 - 4 - HB2 GLU 111 - H MET 67 lone 1 98 - 1 - HG3 GLU 21 - H MET 67 lone 1 90 - 1 - HG2 GLU 52 - H MET 67 lone 1 97 - 1 - HG2 GLU 21 - H MET 67 lone 1 84 - 1 - HB2 GLU 103 - H MET 67 lone 1 98 - 1 - HB3 PHE 79 - H MET 67 lone 1 65 - 1 - HG2 GLU 119 - H MET 67 lone 1 70 - 1 - HB3 GLU 47 - H MET 67 lone 0 70 - 1 - Peak 412 from nnoeabs.peaks (2.39, 8.39, 118.40 ppm; 3.82 A): 2 out of 8 assignments used, quality = 0.97: HG3 MET 67 + H MET 67 OK 85 99 - 85 - 5.1=42, 1.8/1442=33...(15) * HG2 GLU 66 + H MET 67 OK 82 100 - 82 - 5.0=44, 3.0/411=19...(10) HG2 GLN 122 - H MET 67 OK 14 77 - 18 - 1.8/7934=3, 5.1/1965=3...(6) HG3 GLN 85 - H MET 67 OK 13 81 - 16 - 1.8/7933=2, 7933=2...(7) HG2 GLN 85 - H MET 67 OK 11 73 - 15 - 1.8/7933=3, 7933=2...(7) HG2 GLU 98 - H MET 67 lone 5 81 - 6 - HG2 GLN 25 - H MET 67 lone 2 96 - 2 - HB3 TYR 27 - H MET 67 lone 1 61 - 1 - Peak 413 from nnoeabs.peaks (2.19, 8.39, 118.40 ppm; 3.37 A): 3 out of 10 assignments used, quality = 0.90: * HG3 GLU 66 + H MET 67 OK 70 100 - 70 - 5.0=31, 4910/4.1=16...(11) HB2 MET 67 + H MET 67 OK 60 73 - 82 - 4.0=58, 3.0/1442=20...(8) HB2 GLU 69 + H MET 67 OK 16 81 - 20 - 1.8/411=6, 8133/3.6=6...(6) HB2 MET 42 - H MET 67 lone 9 99 - 9 - 4.2/1444=2, 10989/9699=1 HB2 GLN 85 - H MET 67 lone 7 81 - 9 - 1.8/410=2, 3.0/7933=2 HB3 GLU 37 - H MET 67 lone 6 87 - 7 - 4.7/2030=3, 3.8/201=2 HB2 GLU 98 - H MET 67 lone 4 96 - 4 - HB3 MET 1 - H MET 67 lone 2 90 - 2 - HG2 GLU 48 - H MET 67 lone 1 77 - 1 - HG3 GLN 28 - H MET 67 lone 1 77 - 1 - Peak 414 from nnoeabs.peaks (8.39, 8.47, 118.27 ppm; 3.40 A): 2 out of 5 assignments used, quality = 0.80: * H MET 67 + H LEU 68 OK 77 100 - 77 - 1910=49, 4.7/2094=10...(15) H LYS 123 + H LEU 68 OK 11 98 - 11 - 3.0/2100=2, 2106/4.6=2...(5) H ASP 36 - H LEU 68 lone 7 98 - 7 - 200/3.6=2 H ASP 31 - H LEU 68 lone 1 70 - 1 - H PHE 79 - H LEU 68 lone 1 57 - 1 - Peak 415 from nnoeabs.peaks (3.95, 8.47, 118.27 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 67 + H LEU 68 OK 100 100 - 100 - 3.6=100 Peak 416 from nnoeabs.peaks (2.20, 8.47, 118.27 ppm; 3.75 A): 4 out of 9 assignments used, quality = 0.94: * HB2 MET 67 + H LEU 68 OK 82 100 - 82 - 4.6=53, 4.0/1910=23...(11) HB2 GLU 69 + H LEU 68 OK 39 100 - 39 - 4.0/421=21, 4.6/2111=13...(6) HG3 GLU 66 + H LEU 68 OK 37 73 - 51 - 5.0/1910=17, 4.9/2094=12...(10) HB2 GLN 100 + H LEU 68 OK 14 97 - 14 - 11120/3.6=5, 1.8/417=3...(5) HB2 MET 42 - H LEU 68 lone 4 87 - 5 - 4.2/420=2 HG2 GLU 48 - H LEU 68 lone 2 100 - 2 - HB3 MET 1 - H LEU 68 lone 2 99 - 2 - HG3 GLN 28 - H LEU 68 lone 2 100 - 2 - HB2 GLN 83 - H LEU 68 lone 1 94 - 1 - Peak 417 from nnoeabs.peaks (2.05, 8.47, 118.27 ppm; 3.60 A): 3 out of 17 assignments used, quality = 0.89: * HB3 MET 67 + H LEU 68 OK 76 100 - 76 - 4.6=47, 4.0/1910=21...(10) HB2 GLU 66 + H LEU 68 OK 50 94 - 53 - 4.1/1910=21, 3.7/2094=14...(9) HB3 GLN 100 + H LEU 68 OK 12 100 - 12 - 11121/3.6=3, 1.8/416=3...(4) HB VAL 117 - H LEU 68 lone 6 100 - 6 - 2.1/9757=1 HB3 GLN 85 - H LEU 68 lone 5 94 - 6 - HB2 GLU 47 - H LEU 68 lone 4 97 - 4 - 4.0/2104=2 HB2 GLU 92 - H LEU 68 lone 3 99 - 3 - 3.0/2100=1 HB3 GLU 89 - H LEU 68 lone 3 94 - 3 - HB2 GLU 89 - H LEU 68 lone 3 94 - 3 - HB3 GLU 98 - H LEU 68 lone 2 99 - 2 - HB3 GLU 87 - H LEU 68 lone 2 94 - 2 - HB3 GLU 48 - H LEU 68 lone 1 94 - 1 - HB2 GLU 48 - H LEU 68 lone 1 94 - 1 - HB2 GLU 13 - H LEU 68 lone 1 77 - 1 - HB2 GLN 28 - H LEU 68 lone 1 84 - 1 - HG3 GLU 52 - H LEU 68 lone 1 99 - 1 - HB2 MET 1 - H LEU 68 lone 1 61 - 1 - Peak 419 from nnoeabs.peaks (2.40, 8.47, 118.27 ppm; 4.78 A): 2 out of 9 assignments used, quality = 0.94: * HG3 MET 67 + H LEU 68 OK 83 100 - 83 - 3.3/7641=30, 5.1/1910=28...(13) HG2 GLU 66 + H LEU 68 OK 66 99 - 66 - 5.0/1910=29, 4.9/2094=21...(8) HG3 GLN 85 - H LEU 68 lone 8 92 - 9 - 1443/4.6=2, 3.5/1911=1 HG2 GLN 85 - H LEU 68 lone 7 87 - 8 - 1443/4.6=2, 3.5/1911=1 HG2 GLN 122 - H LEU 68 lone 6 90 - 6 - 7933/4.6=3 HG2 GLU 98 - H LEU 68 lone 2 65 - 4 - HG2 GLN 25 - H LEU 68 lone 1 87 - 2 - HG3 GLN 62 - H LEU 68 lone 1 70 - 2 - HG2 GLN 62 - H LEU 68 lone 1 65 - 2 - Peak 420 from nnoeabs.peaks (1.88, 8.47, 118.27 ppm; 4.58 A): 3 out of 16 assignments used, quality = 0.95: * QE MET 67 + H LEU 68 OK 88 100 - 88 - 7641=42, 4949/3.6=30...(12) HB ILE 71 + H LEU 68 OK 42 73 - 57 - 8147/3.0=13, ~9758=12...(11) HB2 LEU 63 + H LEU 68 OK 30 94 - 32 - 3.1/9756=8, 4.6/1911=5...(7) QE MET 42 - H LEU 68 OK 25 81 - 31 - 9424/3.6=15, 3805/4.6=4...(6) HB3 LYS 73 - H LEU 68 OK 13 81 - 16 - 4.0/2104=4, 2.9/1449=3...(6) HB2 LYS 73 - H LEU 68 OK 12 77 - 16 - 4.0/2104=4, 2.9/1449=3...(6) HG LEU 45 - H LEU 68 lone 9 100 - 9 - 4.9/421=3, 4919/3.6=1 HB3 ARG 118 - H LEU 68 lone 8 94 - 9 - 8265/8124=3, 3.0/2103=2 HG2 ARG 95 - H LEU 68 lone 5 99 - 5 - 7791/2094=1, 1444/4.6=1 HB ILE 7 - H LEU 68 lone 5 87 - 5 - 10929/9757=1 HB3 LYS 20 - H LEU 68 lone 4 92 - 4 - HB2 LYS 20 - H LEU 68 lone 4 92 - 4 - HB2 ARG 95 - H LEU 68 lone 4 70 - 5 - HB3 LYS 16 - H LEU 68 lone 4 100 - 3 - HB2 LYS 16 - H LEU 68 lone 4 100 - 3 - HB2 LYS 49 - H LEU 68 lone 1 61 - 2 - Peak 421 from nnoeabs.peaks (8.47, 7.63, 118.68 ppm; 3.47 A): 1 out of 2 assignments used, quality = 0.79: * H LEU 68 + H GLU 69 OK 79 100 - 79 - 4.6=42, 4962/4.6=14...(14) H LEU 68 - H ALA 46 poor 9 72 - 13 - 1911=4, 2104/4.6=2, 3.6/2105=2 Peak 422 from nnoeabs.peaks (3.78, 7.63, 118.68 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 68 + H GLU 69 OK 100 100 - 100 - 3.6=100 Peak 423 from nnoeabs.peaks (1.75, 7.63, 118.68 ppm; 3.71 A): 2 out of 24 assignments used, quality = 0.77: * HB2 LEU 68 + H GLU 69 OK 74 100 - 74 - 4.6=53, 4.0/421=20...(6) HD3 LYS 123 + H GLU 69 OK 11 100 - 11 - 4.6/2107=3, 2.9/425=3...(4) HB2 LEU 114 - H GLU 69 lone 8 87 - 9 - 1.8/424=2, 7643=1, 4962/4.6=1 HB2 LEU 80 - H GLU 69 lone 6 98 - 6 - 9919/4.9=4, 3.8/2109=1 HB3 LYS 94 - H GLU 69 lone 6 87 - 7 - 3.9/2109=2, 3.0/424=1 HB2 LEU 68 - H ALA 46 lone 5 72 - 7 - 4.0/421=2, 1.8/7644=2, 7643=1 HB3 LYS 94 - H ALA 46 lone 5 56 - 9 - 4.4/271=2, ~9459=2, 3.9/2109=1 HB3 LEU 82 - H GLU 69 lone 3 90 - 3 - 9966/4.6=2 HD3 LYS 123 - H ALA 46 lone 2 72 - 2 - HB3 LYS 49 - H GLU 69 lone 2 96 - 2 - HB2 LEU 114 - H ALA 46 lone 2 56 - 3 - HG2 ARG 118 - H GLU 69 lone 2 65 - 2 - HG2 LYS 17 - H GLU 69 lone 1 96 - 1 - HB3 LEU 82 - H ALA 46 lone 1 58 - 1 - HG3 ARG 105 - H GLU 69 lone 1 99 - 1 - HG12 ILE 18 - H GLU 69 lone 1 65 - 1 - HB3 LYS 49 - H ALA 46 lone 1 65 - 1 - HB2 LEU 55 - H GLU 69 lone 1 81 - 1 - HB2 LEU 80 - H ALA 46 lone 0 68 - 1 - HG2 ARG 118 - H ALA 46 lone 0 40 - 1 - HG2 LYS 17 - H ALA 46 lone 0 65 - 0 - HG3 ARG 105 - H ALA 46 lone 0 69 - 0 - HB2 LEU 55 - H ALA 46 lone 0 51 - 1 - HG12 ILE 18 - H ALA 46 lone 0 40 - 1 - Peak 424 from nnoeabs.peaks (1.38, 7.63, 118.68 ppm; 3.91 A): 2 out of 14 assignments used, quality = 0.84: * HB3 LEU 68 + H GLU 69 OK 80 100 - 80 - 4.6=62, 4.0/421=23...(6) HG3 LYS 43 + H ALA 46 OK 16 58 - 27 - 3.9/8084=17, 256/2062=2...(8) HB3 LEU 114 - H GLU 69 poor 8 73 - 10 - 1.8/423=2, 7883=1...(4) HB3 LEU 68 - H ALA 46 lone 6 72 - 9 - 4.0/421=3, 7644=2, 1.8/423=2 HG2 LYS 94 - H GLU 69 lone 6 87 - 7 - 4.9/2109=2, 3.0/423=1 HG2 LYS 94 - H ALA 46 lone 5 56 - 9 - ~9459=2, 3815/8084=1...(4) HG3 LYS 43 - H GLU 69 lone 5 90 - 5 - 3.9/8084=3 HG2 LYS 40 - H GLU 69 lone 5 100 - 5 - 4.0/2107=1 HG2 LYS 40 - H ALA 46 lone 2 71 - 3 - 3815/8084=1 HB3 LEU 114 - H ALA 46 lone 1 45 - 3 - HG LEU 14 - H GLU 69 lone 1 100 - 1 - HG LEU 14 - H ALA 46 lone 1 71 - 2 - HG3 LYS 16 - H GLU 69 lone 1 77 - 1 - HG3 LYS 16 - H ALA 46 lone 0 48 - 1 - Peak 425 from nnoeabs.peaks (1.59, 7.63, 118.68 ppm; 3.90 A): 5 out of 22 assignments used, quality = 0.77: * HG LEU 68 + H GLU 69 OK 52 100 - 52 - 4976/4.6=19, 3.0/423=17...(6) HB3 LEU 70 + H GLU 69 OK 18 65 - 28 - 3.8/428=17, 4.5/2109=5...(6) HG2 LYS 73 + H GLU 69 OK 18 94 - 19 - 5153/4.6=6, 4.9/1912=3...(6) HG2 LYS 44 + H ALA 46 OK 16 68 - 23 - 4.9/2062=10, 265/4.6=7...(5) HG2 LYS 123 + H GLU 69 OK 16 84 - 19 - 3.9/2107=4, 2.9/423=3...(5) HG2 LYS 44 - H GLU 69 lone 8 98 - 8 - 4.9/2062=2 HG2 LYS 73 - H ALA 46 poor 6 63 - 10 - 11080/3.6=3, 265/4.6=3 HG LEU 68 - H ALA 46 lone 5 72 - 7 - 5.3/421=2, 3.0/7644=2, 3.0/423=1 HG12 ILE 116 - H GLU 69 lone 3 99 - 3 - HG3 LYS 96 - H ALA 46 lone 3 40 - 7 - 265/4.6=4, 1286/2062=2 HG2 LYS 123 - H ALA 46 lone 3 53 - 5 - 265/4.6=1 HG3 LYS 96 - H GLU 69 lone 2 65 - 3 - HB3 LEU 70 - H ALA 46 lone 2 40 - 5 - 3.8/428=2 HG LEU 82 - H GLU 69 lone 2 92 - 2 - HG LEU 82 - H ALA 46 lone 1 61 - 2 - HD2 LYS 19 - H GLU 69 lone 1 98 - 1 - HD3 LYS 19 - H GLU 69 lone 1 98 - 1 - HG3 LYS 19 - H GLU 69 lone 1 96 - 1 - HG12 ILE 116 - H ALA 46 lone 1 70 - 1 - HD2 LYS 19 - H ALA 46 lone 0 68 - 1 - HD3 LYS 19 - H ALA 46 lone 0 68 - 1 - HG3 LYS 19 - H ALA 46 lone 0 65 - 1 - Peak 426 from nnoeabs.peaks (0.51, 7.63, 118.68 ppm; 4.94 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 68 + H GLU 69 OK 100 100 - 100 - 4.9=100 Peak 427 from nnoeabs.peaks (0.38, 7.63, 118.68 ppm; 5.15 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 68 + H GLU 69 OK 100 100 - 100 - 4.9=100 Peak 428 from nnoeabs.peaks (7.63, 7.72, 119.50 ppm; 3.36 A): 1 out of 10 assignments used, quality = 0.66: * H GLU 69 + H LEU 70 OK 66 100 - 66 - 4.6=38, 4.0/431=11...(10) H ALA 46 - H LEU 70 lone 9 92 - 10 - 1891=2, 2.9/7526=2 H GLN 100 - H LEU 70 lone 7 99 - 7 - 11178/3.6=1, 4.9/433=1 H LEU 64 - H LEU 70 lone 7 100 - 7 - 4.6/2114=2, 1911/2111=1 H LEU 74 - H LEU 70 lone 6 65 - 10 - 452=3, 4.3/5133=2, 4.3/5133=2 H LYS 115 - H LEU 70 lone 5 92 - 6 - H ASP 34 - H LEU 70 lone 2 90 - 2 - HE21 GLN 85 - H LEU 70 lone 1 100 - 1 - HD21 ASN 50 - H LEU 70 lone 1 98 - 1 - HD21 ASN 10 - H LEU 70 lone 0 81 - 0 - Peak 429 from nnoeabs.peaks (4.05, 7.72, 119.50 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 69 + H LEU 70 OK 100 100 - 100 - 3.6=100 Peak 430 from nnoeabs.peaks (2.20, 7.72, 119.50 ppm; 3.69 A): 3 out of 9 assignments used, quality = 0.87: * HB2 GLU 69 + H LEU 70 OK 75 100 - 75 - 4.6=51, 1.8/431=23...(8) HB2 MET 67 + H LEU 70 OK 36 100 - 36 - 3.0/8138=14, 4.6/2111=12...(5) HB2 MET 42 + H LEU 70 OK 18 92 - 19 - 11365/4.8=8, 11366/4.8=6...(4) HB2 GLN 100 - H LEU 70 poor 10 94 - 10 - 7649=2, 3.0/433=2...(5) HG3 GLU 66 - H LEU 70 poor 8 81 - 11 - 3.0/431=3, 1454/4.6=2...(4) HG2 GLU 48 - H LEU 70 lone 2 100 - 1 - HB3 MET 1 - H LEU 70 lone 1 100 - 1 - HG3 GLN 28 - H LEU 70 lone 1 100 - 1 - HB2 GLN 83 - H LEU 70 lone 1 90 - 1 - Peak 431 from nnoeabs.peaks (2.09, 7.72, 119.50 ppm; 3.68 A): 2 out of 15 assignments used, quality = 0.80: * HB3 GLU 69 + H LEU 70 OK 77 100 - 77 - 4.6=50, 1.8/430=18...(6) HB3 GLU 66 + H LEU 70 OK 14 99 - 14 - 5010/3.6=4, 7650=4...(4) HB2 GLU 112 - H LEU 70 lone 7 99 - 7 - 7650=2, 1.8/7650=2, 5010/3.6=1 HB3 GLU 112 - H LEU 70 lone 6 98 - 7 - 7650=2, 1.8/7650=2, 5010/3.6=1 HB2 GLU 111 - H LEU 70 lone 4 92 - 5 - 3.0/7651=2 HB2 LYS 94 - H LEU 70 lone 4 61 - 6 - 3.9/1913=3, 10977/4.8=1 HB3 GLU 92 - H LEU 70 lone 3 65 - 5 - 8092/3.6=2, 3.0/7651=1 HB2 GLU 87 - H LEU 70 lone 2 99 - 2 - HB3 MET 121 - H LEU 70 lone 1 87 - 2 - HG3 GLU 21 - H LEU 70 lone 1 77 - 2 - 4.0/2112=1 HB3 PHE 79 - H LEU 70 lone 1 81 - 1 - HG2 GLU 21 - H LEU 70 lone 1 70 - 2 - 4.0/2112=1 HB2 GLU 103 - H LEU 70 lone 1 100 - 1 - HG2 GLU 119 - H LEU 70 lone 1 84 - 1 - HG2 GLU 52 - H LEU 70 lone 1 90 - 1 - Peak 432 from nnoeabs.peaks (2.27, 7.72, 119.50 ppm; 6.20 A): 5 out of 10 assignments used, quality = 0.93: * HG2 GLU 69 + H LEU 70 OK 85 100 - 85 - 3.0/431=31, 5007/4.6=30...(7) HG3 GLU 111 + H LEU 70 OK 21 99 - 21 - 5007/4.6=4, 1456/4.6=4...(7) HG3 GLU 92 + H LEU 70 OK 19 96 - 20 - 1456/4.6=4, 5007/4.6=4...(6) HG2 GLU 111 + H LEU 70 OK 14 81 - 17 - 1.8/7651=3, 5007/4.6=3...(7) HB2 GLU 37 + H LEU 70 OK 11 99 - 12 - 3.0/433=3, 1456/4.6=3...(4) HG2 GLU 89 - H LEU 70 lone 6 92 - 6 - 1456/4.6=1 HB3 ASN 8 - H LEU 70 lone 4 100 - 4 - HB2 MET 121 - H LEU 70 lone 3 70 - 5 - 3.0/2112=1 HG3 GLU 91 - H LEU 70 lone 2 81 - 3 - HG2 GLU 103 - H LEU 70 lone 2 70 - 3 - Peak 433 from nnoeabs.peaks (2.44, 7.72, 119.50 ppm; 6.20 A): 3 out of 5 assignments used, quality = 0.92: * HG3 GLU 69 + H LEU 70 OK 89 100 - 89 - 5022/3.6=40, 5024/4.6=35...(7) HG2 GLN 100 + H LEU 70 OK 22 99 - 22 - 6269/4.6=7, 10893/8138=4...(5) HG2 GLU 37 + H LEU 70 OK 11 99 - 11 - 3505/3.6=3, 1457/4.6=3 HG3 GLU 98 - H LEU 70 lone 6 100 - 6 - 1457/4.6=1, 3505/3.6=1 HG2 MET 1 - H LEU 70 lone 3 96 - 3 - Peak 434 from nnoeabs.peaks (7.72, 8.60, 116.79 ppm; 3.53 A): 3 out of 3 assignments used, quality = 0.91: * H LEU 70 + H ILE 71 OK 75 100 - 75 - 4.6=44, 1461/4.5=13...(12) H LYS 73 + H ILE 71 OK 56 98 - 57 - 2126/3.6=13, 448/4.7=13...(13) H GLU 47 + H ILE 71 OK 15 99 - 15 - 9795/4.0=3, 2072/3.6=2...(8) Peak 435 from nnoeabs.peaks (4.16, 8.60, 116.79 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 70 + H ILE 71 OK 100 100 - 100 - 3.6=100 Peak 436 from nnoeabs.peaks (1.94, 8.60, 116.79 ppm; 3.55 A): 2 out of 17 assignments used, quality = 0.80: * HB2 LEU 70 + H ILE 71 OK 76 100 - 76 - 4.5=50, 1.8/437=16...(8) HB2 LYS 123 + H ILE 71 OK 17 96 - 18 - 2.9/437=4, 3.7/1966=3...(6) HB2 LYS 65 - H ILE 71 poor 10 96 - 10 - 3.0/2117=4, 4.0/1914=3 HB3 LYS 65 - H ILE 71 poor 10 94 - 10 - 3.0/2117=4, 4.0/1914=3 HB3 MET 42 - H ILE 71 lone 6 96 - 6 - 4.2/9405=4 HB2 LEU 127 - H ILE 71 lone 4 94 - 4 - 3.1/1470=1, 3.0/438=1 HB3 LYS 115 - H ILE 71 lone 3 96 - 3 - HB2 LYS 115 - H ILE 71 lone 3 81 - 3 - HB2 LYS 39 - H ILE 71 lone 2 96 - 2 - HB3 LYS 39 - H ILE 71 lone 2 98 - 2 - HB VAL 104 - H ILE 71 lone 1 99 - 1 - HB3 LYS 40 - H ILE 71 lone 1 100 - 1 - HB3 GLU 52 - H ILE 71 lone 1 92 - 1 - HB3 GLU 128 - H ILE 71 lone 1 87 - 1 - HB3 GLU 41 - H ILE 71 lone 1 97 - 1 - HB2 GLU 41 - H ILE 71 lone 1 96 - 1 - HB VAL 29 - H ILE 71 lone 1 90 - 1 - Peak 437 from nnoeabs.peaks (1.57, 8.60, 116.79 ppm; 4.14 A): 1 out of 12 assignments used, quality = 0.94: * HB3 LEU 70 + H ILE 71 OK 94 100 - 94 - 4.5=80, 1.8/436=25...(9) HG2 LYS 123 - H ILE 71 OK 26 99 - 27 - 2.9/438=5, 2.9/436=4...(10) HG LEU 68 - H ILE 71 OK 15 65 - 24 - 3.7/2117=15, 9778/5.0=6 HG3 LYS 96 - H ILE 71 lone 9 100 - 9 - 5.1/2163=1, 9778/5.0=1 HG2 LYS 115 - H ILE 71 lone 6 94 - 7 - HG2 LYS 44 - H ILE 71 lone 4 87 - 5 - HB VAL 78 - H ILE 71 lone 3 84 - 4 - 2.1/9886=1, 9788/4.0=1 HD3 LYS 106 - H ILE 71 lone 2 96 - 2 - HG12 ILE 3 - H ILE 71 lone 2 94 - 2 - HD2 LYS 106 - H ILE 71 lone 2 94 - 2 - HG12 ILE 116 - H ILE 71 lone 2 81 - 2 - HG LEU 55 - H ILE 71 lone 1 99 - 1 - Peak 438 from nnoeabs.peaks (1.85, 8.60, 116.79 ppm; 4.03 A): 3 out of 9 assignments used, quality = 0.85: * HG LEU 70 + H ILE 71 OK 73 100 - 73 - 5031/3.6=22, 2.1/7657=20...(10) QE MET 42 + H ILE 71 OK 28 65 - 43 - 9426/3.0=10, 11630/5.0=8...(11) HD2 LYS 123 + H ILE 71 OK 21 99 - 21 - 2.9/437=5, 3.8/436=3...(10) HG LEU 127 - H ILE 71 lone 8 92 - 8 - 2.1/1470=2, 5031/3.6=2 QE MET 121 - H ILE 71 lone 2 65 - 3 - 5.4/8303=1 HB2 ARG 105 - H ILE 71 lone 1 94 - 1 - HB2 LYS 77 - H ILE 71 lone 1 99 - 1 - HB3 LYS 77 - H ILE 71 lone 1 97 - 1 - HB3 LYS 19 - H ILE 71 lone 1 81 - 1 - Peak 439 from nnoeabs.peaks (0.91, 8.60, 116.79 ppm; 4.57 A): 2 out of 7 assignments used, quality = 1.00: QD2 LEU 70 + H ILE 71 OK 98 100 - 98 - 4.7=90, 5063/3.6=37...(10) * QD1 LEU 70 + H ILE 71 OK 98 100 - 98 - 4.7=90, 5056/3.6=34...(9) HG13 ILE 97 - H ILE 71 lone 4 61 - 7 - 4.0/2118=4, 1.8/1470=2 QD2 LEU 38 - H ILE 71 lone 4 70 - 5 - 9702/8143=1, 9430/9405=1 HG13 ILE 54 - H ILE 71 lone 3 99 - 3 - QD1 LEU 90 - H ILE 71 lone 3 100 - 3 - QG2 VAL 29 - H ILE 71 lone 2 92 - 2 - Peak 440 from nnoeabs.peaks (0.90, 8.60, 116.79 ppm; 4.67 A): 2 out of 7 assignments used, quality = 1.00: * QD2 LEU 70 + H ILE 71 OK 99 100 - 99 - 4.7=96, 5063/3.6=38...(10) QD1 LEU 70 + H ILE 71 OK 99 100 - 99 - 4.7=96, 5056/3.6=35...(9) QD2 LEU 38 - H ILE 71 lone 5 81 - 6 - 9430/9405=2, 9702/8143=2 HG13 ILE 54 - H ILE 71 lone 3 96 - 3 - QD1 LEU 90 - H ILE 71 lone 3 100 - 3 - QG2 VAL 29 - H ILE 71 lone 2 97 - 2 - QG2 VAL 104 - H ILE 71 lone 2 61 - 3 - Peak 441 from nnoeabs.peaks (8.60, 8.02, 116.52 ppm; 3.69 A): 2 out of 8 assignments used, quality = 0.78: * H ILE 71 + H SER 72 OK 75 100 - 75 - 4.7=50, 5083/4.1=12...(9) H ALA 124 + H SER 72 OK 11 100 - 12 - 5083/4.1=3, 5076/4.5=3...(4) H LEU 80 - H SER 72 lone 5 100 - 5 - 5083/4.1=1, 5076/4.5=1 H LYS 94 - H SER 72 lone 5 96 - 5 - H THR 108 - H SER 72 lone 3 98 - 3 - H LYS 49 - H SER 72 lone 3 94 - 3 - H ASP 12 - H SER 72 lone 1 87 - 1 - H GLN 85 - H SER 72 lone 1 61 - 1 - Peak 442 from nnoeabs.peaks (3.74, 8.02, 116.52 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 71 + H SER 72 OK 100 100 - 100 - 3.6=100 Peak 443 from nnoeabs.peaks (1.90, 8.02, 116.52 ppm; 3.91 A): 3 out of 21 assignments used, quality = 0.94: * HB ILE 71 + H SER 72 OK 88 100 - 88 - 4.5=67, 3.9/1914=18...(10) HB2 LYS 73 + H SER 72 OK 31 100 - 31 - 4.0/448=21, 4.3/9802=5...(5) HB3 LYS 73 + H SER 72 OK 31 100 - 31 - 4.0/448=21, 4.3/9802=5...(5) HB3 LYS 44 - H SER 72 poor 10 92 - 11 - 3.0/2122=8 HB2 LYS 44 - H SER 72 poor 8 77 - 10 - 3.0/2122=8 HB2 LEU 45 - H SER 72 lone 8 96 - 8 - 8079/2.9=2, ~8081=1, ~9436=1 HG LEU 45 - H SER 72 lone 5 81 - 7 - ~9436=1, 9434/2.9=1 HB2 LYS 96 - H SER 72 lone 5 99 - 5 - 3.0/2122=2 HB3 LYS 123 - H SER 72 lone 4 65 - 7 - 4.4/441=2, 2.9/445=2, 1467/4.7=1 QE MET 67 - H SER 72 lone 4 73 - 5 - 9726/447=1, 9728/2123=1 HB3 LYS 20 - H SER 72 lone 3 98 - 3 - 1479/4.6=1 HB2 LYS 20 - H SER 72 lone 3 98 - 3 - 1479/4.6=1 HB3 LYS 16 - H SER 72 lone 2 77 - 3 - 4.0/9802=1 HB2 LYS 16 - H SER 72 lone 2 73 - 3 - 4.0/9802=1 HB ILE 15 - H SER 72 lone 2 61 - 3 - 4.5/9802=1 HB3 LYS 43 - H SER 72 lone 2 99 - 2 - HB2 LYS 43 - H SER 72 lone 2 90 - 2 - HB2 ARG 95 - H SER 72 lone 2 100 - 2 - HB2 LYS 49 - H SER 72 lone 1 100 - 1 - HB2 GLU 128 - H SER 72 lone 1 99 - 1 - HB ILE 7 - H SER 72 lone 1 99 - 1 - Peak 444 from nnoeabs.peaks (0.82, 8.02, 116.52 ppm; 4.09 A): 1 out of 7 assignments used, quality = 0.99: * QG2 ILE 71 + H SER 72 OK 99 100 - 99 - 4.1=97, 11371/2.9=20...(10) QD1 LEU 74 - H SER 72 OK 39 100 - 40 - 9819/3.6=24, 1468/4.7=6...(8) QD2 LEU 74 - H SER 72 OK 38 100 - 38 - 11347/3.6=22, 1468/4.7=5...(7) QD1 LEU 64 - H SER 72 OK 11 100 - 11 - 9694/3.6=5, 4.7/9802=1...(4) QD1 LEU 114 - H SER 72 lone 8 87 - 9 - 9694/3.6=2, 2.1/447=2...(4) QD2 LEU 82 - H SER 72 lone 2 96 - 2 - QG1 VAL 29 - H SER 72 lone 1 70 - 1 - Peak 445 from nnoeabs.peaks (1.69, 8.02, 116.52 ppm; 4.90 A): 4 out of 24 assignments used, quality = 0.96: * HG12 ILE 71 + H SER 72 OK 84 100 - 84 - 1.8/446=26, 4.6/1914=23...(11) HG LEU 74 + H SER 72 OK 43 92 - 47 - 11278/3.6=21, 2.1/444=9...(7) HD2 LYS 73 + H SER 72 OK 35 94 - 37 - 6.4/448=17, 3.8/443=5...(7) HD3 LYS 73 + H SER 72 OK 34 92 - 37 - 6.4/448=17, 3.8/443=5...(7) HG3 LYS 123 - H SER 72 OK 27 99 - 28 - 10612/4.1=13, 4.7/441=3...(6) HD2 LYS 44 - H SER 72 OK 11 97 - 12 - 5.4/2122=7, 3.7/443=2, 3.7/443=1 HD3 LYS 44 - H SER 72 OK 11 94 - 12 - 5.4/2122=7, 3.7/443=2, 3.7/443=1 HG3 LYS 39 - H SER 72 lone 9 99 - 9 - 10935/4.0=2, 10935/4.0=2 HD2 LYS 20 - H SER 72 lone 7 98 - 7 - 1483/4.6=2, 7662=1 HD3 LYS 20 - H SER 72 lone 7 97 - 7 - 1483/4.6=2 HD3 LYS 96 - H SER 72 lone 6 90 - 7 - 5.3/2122=1 HD2 LYS 96 - H SER 72 lone 6 84 - 7 - 5.3/2122=1 HB ILE 54 - H SER 72 lone 5 87 - 5 - ~9808=3 HD3 LYS 16 - H SER 72 lone 5 99 - 5 - 6.1/9802=1 HD2 LYS 16 - H SER 72 lone 4 96 - 5 - 6.1/9802=1 HD3 LYS 43 - H SER 72 lone 4 92 - 4 - 1483/4.6=1 HB ILE 56 - H SER 72 lone 4 99 - 4 - 3.2/447=1 HD2 LYS 43 - H SER 72 lone 3 77 - 4 - 1483/4.6=1 HD2 LYS 17 - H SER 72 lone 2 84 - 3 - HD2 LYS 40 - H SER 72 lone 2 87 - 2 - HD3 LYS 39 - H SER 72 lone 2 90 - 2 - HD2 LYS 39 - H SER 72 lone 2 87 - 2 - HD3 LYS 40 - H SER 72 lone 2 84 - 2 - HG3 ARG 95 - H SER 72 lone 2 65 - 2 - Peak 446 from nnoeabs.peaks (1.02, 8.02, 116.52 ppm; 5.73 A): 1 out of 5 assignments used, quality = 0.85: * HG13 ILE 71 + H SER 72 OK 85 100 - 85 - 1470/4.7=34, 2.1/447=30...(9) QD1 LEU 127 - H SER 72 lone 4 92 - 4 - 1470/4.7=2 HG12 ILE 97 - H SER 72 lone 3 61 - 5 - 9758/2123=2, 1470/4.7=1 HG2 LYS 61 - H SER 72 lone 2 97 - 2 - HG3 LYS 2 - H SER 72 lone 2 84 - 2 - Peak 447 from nnoeabs.peaks (0.65, 8.02, 116.52 ppm; 5.24 A): 2 out of 7 assignments used, quality = 0.88: * QD1 ILE 71 + H SER 72 OK 87 100 - 87 - 5089/4.1=34, 2.1/446=30...(10) QD1 LEU 4 + H SER 72 OK 10 87 - 12 - 5089/4.1=6, 9808/2.9=3 QD2 LEU 114 - H SER 72 poor 9 73 - 13 - 4.9/9802=3, 2.1/444=2...(5) QG1 VAL 22 - H SER 72 poor 9 73 - 12 - 9808/2.9=6, 2.1/10849=2...(4) QD1 ILE 56 - H SER 72 lone 6 97 - 6 - 5089/4.1=2, 1471/4.7=1 QD1 ILE 54 - H SER 72 lone 4 61 - 6 - 9808/2.9=3 HG13 ILE 15 - H SER 72 lone 3 65 - 4 - 9808/2.9=2 Peak 448 from nnoeabs.peaks (8.02, 7.72, 120.73 ppm; 3.80 A): 1 out of 7 assignments used, quality = 0.79: * H SER 72 + H LYS 73 OK 79 100 - 79 - 4.6=56, 3.6/2124=14...(11) H LYS 65 - H LYS 73 lone 3 77 - 4 - H ARG 118 - H LYS 73 lone 2 100 - 2 - H ILE 116 - H LYS 73 lone 1 61 - 2 - H GLY 26 - H LYS 73 lone 1 100 - 1 - H ASP 109 - H LYS 73 lone 1 84 - 1 - H VAL 22 - H LYS 73 lone 1 81 - 1 - Peak 449 from nnoeabs.peaks (4.37, 7.72, 120.73 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 72 + H LYS 73 OK 100 100 - 100 - 3.6=100 Peak 450 from nnoeabs.peaks (4.12, 7.72, 120.73 ppm; 3.79 A): 2 out of 8 assignments used, quality = 0.87: * HB2 SER 72 + H LYS 73 OK 65 100 - 65 - 4.6=55, 4.0/448=20, 8153/2127=2 HB3 SER 72 + H LYS 73 OK 65 100 - 65 - 4.6=55, 4.0/448=20, 8153/2127=2 HA LEU 63 - H LYS 73 lone 2 87 - 2 - HA VAL 22 - H LYS 73 lone 1 92 - 1 - HA GLN 122 - H LYS 73 lone 1 84 - 1 - HA3 GLY 26 - H LYS 73 lone 1 99 - 1 - HA GLN 62 - H LYS 73 lone 1 70 - 1 - HA MET 1 - H LYS 73 lone 1 99 - 1 - Peak 451 from nnoeabs.peaks (4.12, 7.72, 120.73 ppm; 3.79 A): 2 out of 8 assignments used, quality = 0.87: HB2 SER 72 + H LYS 73 OK 65 100 - 65 - 4.6=55, 4.0/448=20, 8153/2127=2 * HB3 SER 72 + H LYS 73 OK 65 100 - 65 - 4.6=55, 4.0/448=20, 8153/2127=2 HA LEU 63 - H LYS 73 lone 2 87 - 2 - HA VAL 22 - H LYS 73 lone 1 92 - 1 - HA GLN 122 - H LYS 73 lone 1 84 - 1 - HA3 GLY 26 - H LYS 73 lone 1 99 - 1 - HA GLN 62 - H LYS 73 lone 1 70 - 1 - HA MET 1 - H LYS 73 lone 1 99 - 1 - Peak 452 from nnoeabs.peaks (7.72, 7.61, 117.57 ppm; 3.39 A): 2 out of 6 assignments used, quality = 0.65: * H LYS 73 + H LEU 74 OK 57 100 - 57 - 4.6=39, 4.9/7671=5...(10) H LYS 73 + H LYS 16 OK 19 97 - 19 - 1916=9, 4.9/7671=3...(6) H LEU 70 - H LEU 74 poor 10 98 - 10 - 5133/4.3=2, 5133/4.3=2...(4) H GLU 47 - H LEU 74 lone 2 92 - 2 - H LEU 70 - H LYS 16 lone 2 94 - 2 - H GLU 47 - H LYS 16 lone 1 86 - 1 - Peak 453 from nnoeabs.peaks (4.29, 7.61, 117.57 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 73 + H LEU 74 OK 100 100 - 100 - 3.6=100 Peak 454 from nnoeabs.peaks (1.90, 7.61, 117.57 ppm; 2.74 A): 7 out of 42 assignments used, quality = 0.93: HB3 LYS 16 + H LYS 16 OK 45 75 - 60 - 4.0=32, 3.0/2750=10...(10) HB2 LYS 16 + H LYS 16 OK 43 71 - 60 - 4.0=32, 3.0/2750=10...(10) * HB2 LYS 73 + H LEU 74 OK 42 100 - 42 - 4.3=25, 4.0/452=8...(5) HB3 LYS 73 + H LEU 74 OK 42 100 - 42 - 4.3=25, 4.0/452=8...(5) HB ILE 71 + H LEU 74 OK 16 100 - 16 - 3.0/9790=6, 2.1/1492=3...(7) HB2 LYS 73 + H LYS 16 OK 11 97 - 12 - 2.9/7671=3, 4.0/452=3...(5) HB3 LYS 73 + H LYS 16 OK 11 97 - 12 - 2.9/7671=3, 4.0/452=3...(5) HB3 LYS 16 - H LEU 74 poor 8 81 - 10 - 3.0/2750=2, 3.0/2760=2...(5) HB2 LYS 16 - H LEU 74 poor 8 77 - 10 - 3.0/2750=2, 3.0/2760=2...(5) HB ILE 71 - H LYS 16 lone 3 97 - 3 - 3.0/9790=1 HB3 LYS 20 - H LYS 16 lone 3 95 - 3 - HB2 LYS 20 - H LYS 16 lone 3 95 - 3 - HB2 LYS 20 - H LEU 74 lone 3 99 - 3 - HB3 LYS 20 - H LEU 74 lone 3 99 - 3 - HB2 LEU 45 - H LEU 74 lone 3 94 - 3 - HG LEU 45 - H LEU 74 lone 2 84 - 3 - HB3 LYS 44 - H LEU 74 lone 2 90 - 2 - HB2 GLU 128 - H LYS 16 lone 1 94 - 1 - HB3 LYS 44 - H LYS 16 lone 1 84 - 2 - HB2 GLU 128 - H LEU 74 lone 1 98 - 1 - HB2 ARG 95 - H LYS 16 lone 1 97 - 1 - HB ILE 7 - H LYS 16 lone 1 96 - 1 - HB2 LYS 44 - H LEU 74 lone 1 73 - 2 - HB2 LYS 49 - H LEU 74 lone 1 99 - 1 - HB2 LEU 45 - H LYS 16 lone 1 89 - 1 - HB3 LYS 43 - H LEU 74 lone 1 98 - 1 - HB2 LYS 96 - H LEU 74 lone 1 98 - 1 - HB2 LYS 44 - H LYS 16 lone 1 68 - 1 - HB2 LYS 96 - H LYS 16 lone 1 94 - 1 - HB2 ARG 95 - H LEU 74 lone 1 100 - 1 - HB3 LYS 43 - H LYS 16 lone 1 94 - 1 - HB2 LYS 43 - H LEU 74 lone 1 87 - 1 - HB2 LYS 49 - H LYS 16 lone 1 96 - 1 - QE MET 67 - H LYS 16 lone 1 71 - 1 - HG LEU 45 - H LYS 16 lone 1 78 - 1 - HB3 LYS 123 - H LYS 16 lone 1 56 - 1 - HB2 LYS 43 - H LYS 16 lone 1 81 - 1 - HB ILE 7 - H LEU 74 lone 1 100 - 1 - QE MET 67 - H LEU 74 lone 1 77 - 1 - HB3 LYS 123 - H LEU 74 lone 1 61 - 1 - HG2 ARG 95 - H LEU 74 lone 0 61 - 1 - HG2 ARG 95 - H LYS 16 lone 0 56 - 1 - Peak 455 from nnoeabs.peaks (1.89, 7.61, 117.57 ppm; 2.74 A): 7 out of 40 assignments used, quality = 0.93: HB3 LYS 16 + H LYS 16 OK 47 78 - 60 - 4.0=32, 3.0/2750=10...(10) HB2 LYS 16 + H LYS 16 OK 45 75 - 60 - 4.0=32, 3.0/2750=10...(10) HB2 LYS 73 + H LEU 74 OK 42 100 - 42 - 4.3=25, 4.0/452=8...(5) * HB3 LYS 73 + H LEU 74 OK 42 100 - 42 - 4.3=25, 4.0/452=8...(5) HB ILE 71 + H LEU 74 OK 16 100 - 16 - 3.0/9790=6, 2.1/1492=3...(7) HB3 LYS 73 + H LYS 16 OK 11 97 - 12 - 2.9/7671=3, 4.0/452=3...(5) HB2 LYS 73 + H LYS 16 OK 11 97 - 12 - 2.9/7671=3, 4.0/452=3...(5) HB3 LYS 16 - H LEU 74 poor 9 84 - 10 - 3.0/2750=2, 3.0/2760=2...(5) HB2 LYS 16 - H LEU 74 poor 8 81 - 10 - 3.0/2750=2, 3.0/2760=2...(5) HB2 LYS 20 - H LYS 16 lone 3 96 - 4 - HB3 LYS 20 - H LYS 16 lone 3 96 - 4 - HB ILE 71 - H LYS 16 lone 3 97 - 3 - 3.0/9790=1 HB2 LYS 20 - H LEU 74 lone 3 99 - 3 - HB3 LYS 20 - H LEU 74 lone 3 99 - 3 - HB2 LEU 45 - H LEU 74 lone 3 92 - 3 - HG LEU 45 - H LEU 74 lone 2 87 - 3 - HB3 LYS 44 - H LEU 74 lone 2 87 - 2 - HB2 GLU 128 - H LYS 16 lone 1 92 - 1 - HB2 GLU 128 - H LEU 74 lone 1 97 - 1 - HB3 LYS 44 - H LYS 16 lone 1 81 - 2 - HB2 ARG 95 - H LYS 16 lone 1 96 - 1 - HB ILE 7 - H LYS 16 lone 1 97 - 1 - HB2 LYS 49 - H LEU 74 lone 1 99 - 1 - HB2 LYS 44 - H LEU 74 lone 1 70 - 2 - HB2 LEU 45 - H LYS 16 lone 1 86 - 1 - HB2 LYS 96 - H LEU 74 lone 1 97 - 1 - HB3 LYS 43 - H LEU 74 lone 1 97 - 1 - HB2 LYS 44 - H LYS 16 lone 1 64 - 1 - HB2 ARG 95 - H LEU 74 lone 1 100 - 1 - HB2 LYS 96 - H LYS 16 lone 1 92 - 1 - QE MET 67 - H LYS 16 lone 1 75 - 1 - HB3 LYS 43 - H LYS 16 lone 1 92 - 1 - HG LEU 45 - H LYS 16 lone 1 81 - 1 - HB2 LYS 43 - H LEU 74 lone 1 84 - 1 - HB2 LYS 49 - H LYS 16 lone 1 95 - 1 - HB2 LYS 43 - H LYS 16 lone 1 78 - 1 - HB ILE 7 - H LEU 74 lone 1 100 - 1 - QE MET 67 - H LEU 74 lone 1 81 - 1 - HG2 ARG 95 - H LEU 74 lone 0 65 - 1 - HG2 ARG 95 - H LYS 16 lone 0 60 - 1 - Peak 456 from nnoeabs.peaks (1.60, 7.61, 117.57 ppm; 3.21 A): 5 out of 18 assignments used, quality = 0.73: * HG2 LYS 73 + H LEU 74 OK 34 100 - 34 - 1480/4.6=10, 7671=8...(7) HG3 LYS 19 + H LYS 16 OK 30 97 - 31 - 11217/3.0=7, ~7989=6...(8) HG2 LYS 73 + H LYS 16 OK 17 97 - 18 - 7671=5, 1.8/457=3...(6) HD3 LYS 19 + H LYS 16 OK 15 96 - 15 - 11217/3.0=6, ~11220=4...(4) HD2 LYS 19 + H LYS 16 OK 15 96 - 15 - 11217/3.0=6, ~11220=4...(4) HG LEU 82 - H LYS 16 lone 5 97 - 5 - 3.0/79=1, 3.0/1106=1 HG2 LYS 44 - H LEU 74 lone 3 77 - 4 - 1480/4.6=1 HG2 LYS 44 - H LYS 16 lone 3 71 - 3 - HG LEU 82 - H LEU 74 lone 2 100 - 2 - HG LEU 68 - H LEU 74 lone 2 94 - 2 - HG12 ILE 116 - H LYS 16 lone 2 78 - 2 - HG LEU 68 - H LYS 16 lone 1 89 - 1 - HG12 ILE 116 - H LEU 74 lone 1 84 - 1 - HG3 LYS 19 - H LEU 74 lone 1 100 - 1 - HD3 LYS 19 - H LEU 74 lone 1 100 - 1 - HD2 LYS 19 - H LEU 74 lone 1 100 - 1 - HB3 LEU 127 - H LYS 16 lone 0 68 - 1 - HB3 LEU 127 - H LEU 74 lone 0 73 - 1 - Peak 457 from nnoeabs.peaks (1.48, 7.61, 117.57 ppm; 3.56 A): 4 out of 22 assignments used, quality = 0.93: HB2 LEU 74 + H LEU 74 OK 81 87 - 93 - 3.8=83, 3.0/5234=16...(12) * HG3 LYS 73 + H LEU 74 OK 46 100 - 46 - 5128/3.6=14, 1.8/7671=11...(8) HG3 LYS 73 + H LYS 16 OK 19 97 - 20 - 1.8/7671=6, 4.9/452=3...(8) HB2 LEU 74 + H LYS 16 OK 14 81 - 17 - 3.1/5241=4, 3.1/5248=4...(4) HG3 LYS 20 - H LEU 74 lone 9 100 - 9 - 5128/3.6=3, 1481/4.6=2 HB3 LEU 45 - H LEU 74 lone 9 96 - 9 - 4611/10774=2, 5128/3.6=2 HG3 LYS 20 - H LYS 16 lone 4 97 - 4 - HB3 LEU 45 - H LYS 16 lone 3 91 - 3 - HG12 ILE 57 - H LYS 16 lone 2 60 - 3 - 3.2/78=1 HB3 LEU 38 - H LYS 16 lone 2 64 - 3 - HG3 ARG 118 - H LEU 74 lone 2 99 - 2 - HG3 ARG 118 - H LYS 16 lone 1 95 - 1 - HG2 LYS 106 - H LYS 16 lone 1 60 - 2 - HB3 LEU 38 - H LEU 74 lone 1 70 - 2 - HG2 LYS 106 - H LEU 74 lone 1 65 - 1 - HD2 LYS 53 - H LEU 74 lone 1 100 - 1 - HG12 ILE 57 - H LEU 74 lone 1 65 - 1 - HG12 ILE 7 - H LYS 16 lone 1 56 - 1 - HG2 ARG 30 - H LEU 74 lone 1 61 - 1 - HG12 ILE 7 - H LEU 74 lone 1 61 - 1 - HD2 LYS 53 - H LYS 16 lone 1 97 - 1 - HG2 ARG 30 - H LYS 16 lone 0 56 - 1 - Peak 458 from nnoeabs.peaks (1.68, 7.61, 117.57 ppm; 3.04 A): 5 out of 44 assignments used, quality = 0.94: HD2 LYS 16 + H LYS 16 OK 59 97 - 61 - 2.9/2750=13, 6.1=13...(17) HD3 LYS 16 + H LYS 16 OK 58 96 - 61 - 2.9/2750=13, 6.1=13...(17) HG LEU 74 + H LEU 74 OK 35 61 - 58 - 4.9=24, 2.1/5248=14...(7) * HD2 LYS 73 + H LEU 74 OK 25 100 - 25 - 3.0/7671=6, 3.0/457=5...(8) HD3 LYS 73 + H LEU 74 OK 25 100 - 25 - 3.0/7671=6, 3.0/457=5...(8) HD2 LYS 40 - H LYS 16 OK 22 96 - 24 - 2.9/1106=4, 2770=2...(15) HD3 LYS 40 - H LYS 16 OK 22 96 - 24 - 2.9/1106=4, 2770=2...(15) HG12 ILE 71 - H LEU 74 OK 16 94 - 17 - 3.9/9790=7, 3.2/1492=3...(5) HD2 LYS 17 - H LYS 16 OK 15 96 - 16 - 2860/4.6=5, 11478/4.1=3...(4) HD2 LYS 73 - H LYS 16 OK 12 97 - 12 - 3.0/7671=3, 3.0/457=2, 6.4/452=1 HD3 LYS 73 - H LYS 16 OK 12 97 - 12 - 3.0/7671=3, 3.0/457=2, 6.4/452=1 HD2 LYS 16 - H LEU 74 OK 10 100 - 10 - 2.9/2750=3, 2.9/2760=2...(6) HD3 LYS 16 - H LEU 74 OK 10 99 - 10 - 2.9/2750=3, 2.9/2760=2...(6) HG LEU 74 - H LYS 16 poor 6 56 - 11 - 2.1/5241=4, 2.1/5248=3...(4) HD3 LYS 20 - H LEU 74 lone 5 100 - 5 - 5174/3.6=2 HD2 LYS 20 - H LEU 74 lone 5 100 - 5 - 5174/3.6=2 HD3 LYS 20 - H LYS 16 lone 5 97 - 5 - HD2 LYS 20 - H LYS 16 lone 5 96 - 5 - HD3 LYS 43 - H LEU 74 lone 3 100 - 3 - 5184/3.6=1 HD2 LYS 43 - H LEU 74 lone 3 98 - 3 - 5184/3.6=1 HG12 ILE 71 - H LYS 16 lone 3 89 - 4 - 3.9/9790=1 HD2 LYS 17 - H LEU 74 lone 3 99 - 3 - 6.3/82=1 HD2 LYS 40 - H LEU 74 lone 3 100 - 3 - HD3 LYS 40 - H LEU 74 lone 3 99 - 3 - HG3 LYS 123 - H LEU 74 lone 2 81 - 3 - HD2 LYS 44 - H LYS 16 lone 2 68 - 3 - HD3 LYS 96 - H LEU 74 lone 2 100 - 2 - HD2 LYS 96 - H LEU 74 lone 2 99 - 2 - HD3 LYS 43 - H LYS 16 lone 2 97 - 2 - HD2 LYS 43 - H LYS 16 lone 2 94 - 2 - HD2 LYS 44 - H LEU 74 lone 2 73 - 3 - HD3 LYS 44 - H LYS 16 lone 2 60 - 3 - HG3 LYS 123 - H LYS 16 lone 2 75 - 2 - HD3 LYS 44 - H LEU 74 lone 2 65 - 3 - HD3 LYS 96 - H LYS 16 lone 2 97 - 2 - HD2 LYS 96 - H LYS 16 lone 2 96 - 2 - HB ILE 54 - H LYS 16 lone 1 96 - 1 - HG3 ARG 95 - H LEU 74 lone 1 94 - 1 - HG3 LYS 39 - H LEU 74 lone 1 81 - 1 - HG3 ARG 95 - H LYS 16 lone 1 89 - 1 - HG3 LYS 39 - H LYS 16 lone 1 75 - 1 - HB ILE 56 - H LYS 16 lone 1 96 - 1 - HB ILE 54 - H LEU 74 lone 1 100 - 1 - HB ILE 56 - H LEU 74 lone 0 99 - 0 - Peak 459 from nnoeabs.peaks (1.68, 7.61, 117.57 ppm; 3.04 A): 5 out of 42 assignments used, quality = 0.92: HD2 LYS 16 + H LYS 16 OK 59 97 - 61 - 2.9/2750=13, 6.1=13...(17) HD3 LYS 16 + H LYS 16 OK 58 95 - 61 - 2.9/2750=13, 6.1=13...(17) HD2 LYS 73 + H LEU 74 OK 25 100 - 25 - 3.0/7671=6, 3.0/457=5...(8) * HD3 LYS 73 + H LEU 74 OK 25 100 - 25 - 3.0/7671=6, 3.0/457=5...(8) HD2 LYS 40 + H LYS 16 OK 22 97 - 24 - 2.9/1106=4, 2770=2...(15) HD3 LYS 40 - H LYS 16 OK 22 96 - 24 - 2.9/1106=4, 2770=2...(15) HG12 ILE 71 - H LEU 74 OK 15 92 - 17 - 3.9/9790=7, 3.2/1492=3...(5) HD2 LYS 17 - H LYS 16 OK 15 96 - 16 - 2860/4.6=5, 11478/4.1=3...(4) HD3 LYS 73 - H LYS 16 OK 12 97 - 12 - 3.0/7671=3, 3.0/457=2, 6.4/452=1 HD2 LYS 73 - H LYS 16 OK 12 97 - 12 - 3.0/7671=3, 3.0/457=2, 6.4/452=1 HD2 LYS 16 - H LEU 74 OK 10 100 - 10 - 2.9/2750=3, 2.9/2760=2...(6) HD3 LYS 16 - H LEU 74 OK 10 99 - 10 - 2.9/2750=3, 2.9/2760=2...(6) HD3 LYS 20 - H LEU 74 lone 5 100 - 5 - 5174/3.6=2 HD2 LYS 20 - H LEU 74 lone 5 99 - 5 - 5174/3.6=2 HD3 LYS 20 - H LYS 16 lone 5 96 - 5 - HD2 LYS 20 - H LYS 16 lone 5 96 - 5 - HD3 LYS 43 - H LEU 74 lone 3 100 - 3 - 5184/3.6=1 HD2 LYS 43 - H LEU 74 lone 3 99 - 3 - 5184/3.6=1 HD2 LYS 17 - H LEU 74 lone 3 100 - 3 - 6.3/82=1 HG12 ILE 71 - H LYS 16 lone 3 86 - 4 - 3.9/9790=1 HD2 LYS 40 - H LEU 74 lone 3 100 - 3 - HD3 LYS 40 - H LEU 74 lone 3 100 - 3 - HG3 LYS 123 - H LEU 74 lone 2 77 - 3 - HD3 LYS 96 - H LEU 74 lone 2 100 - 2 - HD2 LYS 96 - H LEU 74 lone 2 100 - 2 - HD2 LYS 44 - H LYS 16 lone 2 64 - 3 - HD3 LYS 43 - H LYS 16 lone 2 97 - 2 - HD2 LYS 43 - H LYS 16 lone 2 95 - 2 - HD3 LYS 44 - H LYS 16 lone 2 56 - 3 - HD2 LYS 44 - H LEU 74 lone 2 70 - 3 - HG3 LYS 123 - H LYS 16 lone 2 71 - 2 - HD3 LYS 96 - H LYS 16 lone 2 97 - 2 - HD2 LYS 96 - H LYS 16 lone 2 96 - 2 - HD3 LYS 44 - H LEU 74 lone 2 61 - 2 - HB ILE 54 - H LYS 16 lone 1 97 - 1 - HG3 ARG 95 - H LEU 74 lone 1 96 - 1 - HG3 ARG 95 - H LYS 16 lone 1 91 - 1 - HG3 LYS 39 - H LEU 74 lone 1 77 - 1 - HG3 LYS 39 - H LYS 16 lone 1 71 - 1 - HB ILE 54 - H LEU 74 lone 1 100 - 1 - HB ILE 56 - H LYS 16 lone 1 95 - 1 - HB ILE 56 - H LEU 74 lone 0 99 - 0 - Peak 462 from nnoeabs.peaks (7.61, 7.92, 105.99 ppm; 3.33 A): 2 out of 9 assignments used, quality = 0.64: * H LEU 74 + H GLY 75 OK 56 100 - 56 - 4.6=37, 5248/4.8=8...(7) H LYS 16 + H GLY 75 OK 18 99 - 19 - 1917=10, 5241/4.8=2...(6) H LYS 115 - H GLY 75 lone 5 96 - 5 - 9827/4.6=1 H LEU 64 - H GLY 75 lone 3 70 - 4 - 9827/4.6=2 H ASP 34 - H GLY 75 lone 1 97 - 1 - HE ARG 105 - H GLY 75 lone 1 92 - 1 - H GLU 69 - H GLY 75 lone 1 65 - 1 - H GLN 100 - H GLY 75 lone 1 81 - 1 - HE21 GLN 85 - H GLY 75 lone 0 77 - 1 - Peak 463 from nnoeabs.peaks (4.23, 7.92, 105.99 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 74 + H GLY 75 OK 100 100 - 100 - 3.6=100 Peak 464 from nnoeabs.peaks (1.47, 7.92, 105.99 ppm; 5.29 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 74 + H GLY 75 OK 100 100 - 100 - 4.6=100 Peak 465 from nnoeabs.peaks (1.20, 7.92, 105.99 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 74 + H GLY 75 OK 100 100 - 100 - 4.6=100 Peak 466 from nnoeabs.peaks (1.70, 7.92, 105.99 ppm; 5.66 A): 3 out of 17 assignments used, quality = 0.65: * HG LEU 74 + H GLY 75 OK 53 100 - 53 - 4.9/1917=27, 2.1/468=19 HD3 LYS 16 + H GLY 75 OK 15 77 - 19 - 6.1/1917=7, ~2761=2...(5) HD2 LYS 16 + H GLY 75 OK 13 65 - 19 - 6.1/1917=7, ~2761=2...(5) HG3 LYS 123 - H GLY 75 lone 9 99 - 10 - 10612/4.8=3, 10612/4.8=3 HG12 ILE 71 - H GLY 75 poor 9 92 - 10 - 3.2/468=6, 1490/4.6=3 HD3 LYS 44 - H GLY 75 lone 4 100 - 4 - 10937/3.6=1 HG3 LYS 39 - H GLY 75 lone 4 99 - 4 - HD2 LYS 44 - H GLY 75 lone 4 100 - 4 - 10937/3.6=1 HD2 LYS 39 - H GLY 75 lone 3 100 - 3 - HD3 LYS 39 - H GLY 75 lone 3 100 - 3 - HD2 LYS 73 - H GLY 75 lone 2 61 - 4 - 1490/4.6=2 HD2 LYS 20 - H GLY 75 lone 2 73 - 3 - HD3 LYS 20 - H GLY 75 lone 2 70 - 3 - HB3 LYS 106 - H GLY 75 lone 1 90 - 2 - HB3 LEU 90 - H GLY 75 lone 1 61 - 2 - HB2 LYS 106 - H GLY 75 lone 1 84 - 2 - HB ILE 56 - H GLY 75 lone 1 77 - 1 - Peak 467 from nnoeabs.peaks (0.82, 7.92, 105.99 ppm; 4.38 A): 2 out of 7 assignments used, quality = 0.98: QD2 LEU 74 + H GLY 75 OK 89 100 - 89 - 4.8=76, 5249/3.6=39...(4) * QD1 LEU 74 + H GLY 75 OK 85 100 - 85 - 4.8=76, 4.8/1917=18...(4) QG2 ILE 71 - H GLY 75 OK 31 100 - 31 - 9797/4.6=12, 9789/4.6=11...(5) QD1 LEU 64 - H GLY 75 lone 10 100 - 10 - 11689/4.6=5 QD1 LEU 114 - H GLY 75 lone 6 87 - 7 - 9833/4.6=2, 4.9/462=1 QD2 LEU 82 - H GLY 75 lone 2 96 - 2 - QG1 VAL 29 - H GLY 75 lone 1 70 - 1 - Peak 468 from nnoeabs.peaks (0.82, 7.92, 105.99 ppm; 4.38 A): 2 out of 7 assignments used, quality = 0.98: * QD2 LEU 74 + H GLY 75 OK 89 100 - 89 - 4.8=76, 5249/3.6=39...(4) QD1 LEU 74 + H GLY 75 OK 85 100 - 85 - 4.8=76, 4.8/1917=18...(4) QG2 ILE 71 - H GLY 75 OK 31 100 - 31 - 9797/4.6=12, 9789/4.6=11...(5) QD1 LEU 64 - H GLY 75 lone 10 99 - 10 - 11689/4.6=5 QD1 LEU 114 - H GLY 75 lone 6 81 - 7 - 11689/4.6=2, 4.9/462=1 QD2 LEU 82 - H GLY 75 lone 2 98 - 2 - QG1 VAL 29 - H GLY 75 lone 1 61 - 1 - Peak 469 from nnoeabs.peaks (7.92, 7.37, 118.45 ppm; 3.59 A): 1 out of 4 assignments used, quality = 0.63: * H GLY 75 + H TYR 76 OK 63 100 - 63 - 4.6=47, 4.6/9832=12...(5) H GLU 119 - H TYR 76 lone 1 97 - 1 - H GLU 91 - H TYR 76 lone 0 77 - 0 - HD21 ASN 33 - H TYR 76 lone 0 84 - 0 - Peak 470 from nnoeabs.peaks (3.84, 7.37, 118.45 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 75 + H TYR 76 OK 100 100 - 100 - 3.6=100 Peak 471 from nnoeabs.peaks (4.01, 7.37, 118.45 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 75 + H TYR 76 OK 100 100 - 100 - 3.6=100 Peak 472 from nnoeabs.peaks (7.37, 8.29, 122.87 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 76 + H LYS 77 OK 100 100 - 100 - 4.6=100 Peak 473 from nnoeabs.peaks (4.78, 8.29, 122.87 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 76 + H LYS 77 OK 100 100 - 100 - 3.6=100 Peak 474 from nnoeabs.peaks (2.66, 8.29, 122.87 ppm; 4.30 A): 1 out of 7 assignments used, quality = 0.98: * HB2 TYR 76 + H LYS 77 OK 98 100 - 98 - 4.4=92, 1.8/475=40...(4) HG2 MET 42 - H LYS 77 lone 2 96 - 2 - 1498/4.6=1 HB3 ASP 36 - H LYS 77 lone 1 100 - 1 - HB2 TYR 27 - H LYS 77 lone 1 100 - 1 - HB3 ASP 84 - H LYS 77 lone 1 100 - 1 - HE3 LYS 61 - H LYS 77 lone 1 92 - 1 - HB3 ASP 110 - H LYS 77 lone 0 70 - 1 - Peak 475 from nnoeabs.peaks (2.85, 8.29, 122.87 ppm; 4.05 A): 1 out of 4 assignments used, quality = 0.89: * HB3 TYR 76 + H LYS 77 OK 89 100 - 89 - 4.4=77, 1.8/474=33, 2.5/479=29 HE2 LYS 17 - H LYS 77 lone 1 100 - 1 - HB2 ASP 36 - H LYS 77 lone 1 98 - 1 - HB2 ASN 88 - H LYS 77 lone 1 100 - 1 - Peak 479 from nnoeabs.peaks (6.86, 8.29, 122.87 ppm; 4.49 A): 1 out of 1 assignment used, quality = 0.97: * QD TYR 76 + H LYS 77 OK 97 100 - 97 - 4.7=86, 2.5/475=38...(5) Peak 480 from nnoeabs.peaks (8.29, 7.83, 124.07 ppm; 5.47 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 77 + H VAL 78 OK 100 100 - 100 - 4.7=100 Peak 481 from nnoeabs.peaks (4.55, 7.83, 124.07 ppm; 2.98 A): 1 out of 3 assignments used, quality = 0.74: * HA LYS 77 + H VAL 78 OK 74 100 - 74 - 3.6=58, 4.0/485=10...(10) HA PHE 79 - H VAL 78 poor 10 61 - 16 - ~491=6, ~7700=6, 9868/4.0=5 HA ASN 88 - H VAL 78 lone 4 84 - 4 - 10819/4698=2, 9858/3.7=1 Peak 482 from nnoeabs.peaks (1.84, 7.83, 124.07 ppm; 4.32 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 77 + H VAL 78 OK 100 100 - 100 - 4.3=100 HB3 LYS 77 + H VAL 78 OK 100 100 - 100 - 4.3=100 Peak 483 from nnoeabs.peaks (1.84, 7.83, 124.07 ppm; 4.32 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 77 + H VAL 78 OK 100 100 - 100 - 4.3=100 HB2 LYS 77 + H VAL 78 OK 100 100 - 100 - 4.3=100 Peak 484 from nnoeabs.peaks (1.35, 7.83, 124.07 ppm; 6.20 A): 3 out of 6 assignments used, quality = 0.97: * HG2 LYS 77 + H VAL 78 OK 91 100 - 91 - 1.8/485=49, 4.0/481=42...(9) HB3 LEU 81 + H VAL 78 OK 45 100 - 45 - 9953/3.0=14, ~9954=10...(6) HG LEU 81 + H VAL 78 OK 43 94 - 46 - ~9954=12, 11386/3.0=12...(6) HG2 LYS 94 - H VAL 78 lone 5 81 - 6 - 4.0/8213=3 HG3 LYS 65 - H VAL 78 lone 3 90 - 3 - HG3 LYS 43 - H VAL 78 lone 2 77 - 3 - Peak 485 from nnoeabs.peaks (1.17, 7.83, 124.07 ppm; 4.62 A): 1 out of 2 assignments used, quality = 0.78: * HG3 LYS 77 + H VAL 78 OK 78 100 - 78 - 4.0/481=32, 7695=25...(8) HD2 LYS 61 - H VAL 78 lone 1 100 - 1 - Peak 486 from nnoeabs.peaks (1.62, 7.83, 124.07 ppm; 3.92 A): 3 out of 11 assignments used, quality = 0.88: * HD2 LYS 77 + H VAL 78 OK 63 100 - 63 - 3.0/485=23, 7696=15...(7) HD3 LYS 77 + H VAL 78 OK 63 100 - 63 - 3.0/485=23, 7697=15...(7) HG LEU 63 + H VAL 78 OK 10 99 - 10 - 2.1/10958=3, 3.0/10960=2...(4) HB3 LEU 127 - H VAL 78 lone 3 90 - 4 - 5326/4.3=1, 5326/4.3=1 HG3 LYS 40 - H VAL 78 lone 2 99 - 2 - HB3 LEU 64 - H VAL 78 lone 2 99 - 2 - HB ILE 116 - H VAL 78 lone 1 98 - 1 - HG2 LYS 16 - H VAL 78 lone 1 100 - 1 - HB2 LEU 82 - H VAL 78 lone 1 100 - 1 - HG LEU 64 - H VAL 78 lone 1 65 - 1 - HG LEU 90 - H VAL 78 lone 1 77 - 1 - Peak 487 from nnoeabs.peaks (1.62, 7.83, 124.07 ppm; 3.92 A): 3 out of 11 assignments used, quality = 0.88: * HD3 LYS 77 + H VAL 78 OK 63 100 - 63 - 3.0/485=23, 7697=15...(7) HD2 LYS 77 + H VAL 78 OK 63 100 - 63 - 3.0/485=23, 7696=15...(7) HG LEU 63 + H VAL 78 OK 10 100 - 10 - 2.1/10958=3, 3.0/10960=2...(4) HB3 LEU 127 - H VAL 78 lone 3 92 - 4 - 5326/4.3=1, 5326/4.3=1 HG3 LYS 40 - H VAL 78 lone 2 100 - 2 - HB3 LEU 64 - H VAL 78 lone 2 98 - 2 - HB ILE 116 - H VAL 78 lone 1 97 - 1 - HG2 LYS 16 - H VAL 78 lone 1 99 - 1 - HB2 LEU 82 - H VAL 78 lone 1 100 - 1 - HG LEU 64 - H VAL 78 lone 1 61 - 1 - HG LEU 90 - H VAL 78 lone 1 73 - 1 - Peak 490 from nnoeabs.peaks (7.83, 8.37, 126.17 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 78 + H PHE 79 OK 100 100 - 100 - 4.6=100 Peak 491 from nnoeabs.peaks (5.17, 8.37, 126.17 ppm; 3.07 A): 1 out of 2 assignments used, quality = 0.78: * HA VAL 78 + H PHE 79 OK 78 100 - 78 - 3.6=64, 3.2/7703=14...(7) HA ILE 7 - H PHE 79 lone 4 81 - 5 - 10669/9892=1, 3.8/9900=1 Peak 492 from nnoeabs.peaks (1.56, 8.37, 126.17 ppm; 4.67 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 78 + H PHE 79 OK 100 100 - 100 - 4.4=100 Peak 493 from nnoeabs.peaks (0.72, 8.37, 126.17 ppm; 3.73 A): 4 out of 13 assignments used, quality = 0.95: * QG2 VAL 78 + H PHE 79 OK 91 100 - 91 - 4.1=74, 3.2/491=31...(11) QD1 LEU 6 + H PHE 79 OK 22 92 - 24 - 4.8/9892=14, 11561/4.7=6...(4) QD2 LEU 6 + H PHE 79 OK 19 92 - 20 - 4.8/9892=14, 3.1/9900=3 QD2 LEU 45 + H PHE 79 OK 10 100 - 10 - 9448/6.5=5, 9450/4.5=4 QG2 ILE 7 - H PHE 79 poor 8 61 - 13 - 11582/4.1=6, 3.2/9900=2 QD2 LEU 81 - H PHE 79 lone 5 61 - 8 - 4.8/9891=3, 9955/3.6=3 HG13 ILE 18 - H PHE 79 lone 5 99 - 5 - 2.1/494=2 QG2 ILE 18 - H PHE 79 lone 4 97 - 5 - 2.9/494=1 QD2 LEU 55 - H PHE 79 lone 3 90 - 3 - QD1 LEU 63 - H PHE 79 lone 2 73 - 2 - QD2 LEU 63 - H PHE 79 lone 2 73 - 2 - 10958/4.6=1 QG1 VAL 117 - H PHE 79 lone 2 99 - 2 - QD1 ILE 57 - H PHE 79 lone 1 65 - 2 - Peak 494 from nnoeabs.peaks (0.61, 8.37, 126.17 ppm; 3.48 A): 2 out of 3 assignments used, quality = 0.92: * QG1 VAL 78 + H PHE 79 OK 86 100 - 86 - 4.1=60, 3.2/491=27...(12) QD1 ILE 5 + H PHE 79 OK 39 94 - 42 - 10740/4.0=10, 4.2/9894=9...(10) QD1 ILE 18 - H PHE 79 lone 6 100 - 6 - Peak 496 from nnoeabs.peaks (4.57, 8.60, 123.96 ppm; 3.33 A): 1 out of 3 assignments used, quality = 0.83: * HA PHE 79 + H LEU 80 OK 83 100 - 83 - 3.6=81, 10816/3.8=7 HA ASN 88 - H LEU 80 lone 2 98 - 2 - HA LYS 77 - H LEU 80 lone 1 61 - 1 - Peak 497 from nnoeabs.peaks (1.04, 8.60, 123.96 ppm; 5.56 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 79 + H LEU 80 OK 100 100 - 100 - 4.5=100 Peak 498 from nnoeabs.peaks (2.08, 8.60, 123.96 ppm; 5.04 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 79 + H LEU 80 OK 100 100 - 100 - 4.5=100 Peak 504 from nnoeabs.peaks (5.55, 9.06, 126.69 ppm; 3.03 A): 1 out of 1 assignment used, quality = 0.77: * HA LEU 80 + H LEU 81 OK 77 100 - 77 - 3.6=61, 3.0/506=16...(9) Peak 505 from nnoeabs.peaks (1.75, 9.06, 126.69 ppm; 4.52 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 80 + H LEU 81 OK 100 100 - 100 - 4.2=100 Peak 506 from nnoeabs.peaks (1.29, 9.06, 126.69 ppm; 4.05 A): 1 out of 2 assignments used, quality = 0.96: * HB3 LEU 80 + H LEU 81 OK 96 100 - 96 - 4.2=87, 3.0/504=39...(8) HG3 LYS 115 - H LEU 81 lone 2 87 - 3 - 3.0/1536=1 Peak 508 from nnoeabs.peaks (0.78, 9.06, 126.69 ppm; 3.18 A): 3 out of 10 assignments used, quality = 0.95: * QD2 LEU 80 + H LEU 81 OK 69 100 - 69 - 5.0=26, 2.1/7715=23...(11) QD1 LEU 80 + H LEU 81 OK 63 100 - 63 - 7715=27, 3.9/504=19...(11) QD1 LEU 81 + H LEU 81 OK 61 84 - 72 - 4.8=30, 5538/3.0=17...(11) QD1 ILE 7 - H LEU 81 OK 38 94 - 40 - 9087=12, 4.1/9951=10...(9) QD1 LEU 82 - H LEU 81 OK 18 100 - 18 - 1547/4.6=5, 11394/4.7=3...(8) QG1 VAL 107 - H LEU 81 OK 16 84 - 20 - 10310/3.0=5, 11458/3.8=5...(5) QD2 LEU 64 - H LEU 81 lone 4 97 - 4 - 9693/4738=2 QG2 VAL 32 - H LEU 81 lone 2 84 - 3 - QD1 ILE 15 - H LEU 81 lone 1 87 - 1 - QD2 LEU 14 - H LEU 81 lone 1 84 - 1 - Peak 509 from nnoeabs.peaks (0.78, 9.06, 126.69 ppm; 3.18 A): 4 out of 10 assignments used, quality = 0.97: QD2 LEU 80 + H LEU 81 OK 69 100 - 69 - 5.0=26, 2.1/7715=23...(11) * QD1 LEU 80 + H LEU 81 OK 63 100 - 63 - 7715=27, 3.9/504=19...(11) QD1 LEU 81 + H LEU 81 OK 58 81 - 72 - 4.8=30, 5538/3.0=16...(11) QD1 ILE 7 + H LEU 81 OK 39 96 - 41 - 9087=13, 4.1/9951=10...(9) QG1 VAL 107 - H LEU 81 OK 18 87 - 21 - 10310/3.0=6, 11458/3.8=5...(6) QD1 LEU 82 - H LEU 81 OK 18 100 - 18 - 1547/4.6=5, 11394/4.7=3...(8) QD2 LEU 64 - H LEU 81 lone 4 96 - 4 - 9693/4738=2 QG2 VAL 32 - H LEU 81 lone 2 87 - 3 - QD1 ILE 15 - H LEU 81 lone 1 90 - 1 - QD2 LEU 14 - H LEU 81 lone 1 87 - 1 - Peak 511 from nnoeabs.peaks (5.27, 8.86, 124.89 ppm; 3.02 A): 2 out of 2 assignments used, quality = 0.80: * HA LEU 81 + H LEU 82 OK 78 100 - 78 - 3.6=61, 3.9/7720=14...(11) HA GLN 83 + H LEU 82 OK 11 94 - 12 - ~518=6, 9990/9984=3, 5538/4.9=1 Peak 512 from nnoeabs.peaks (1.92, 8.86, 124.89 ppm; 5.33 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 81 + H LEU 82 OK 100 100 - 100 - 4.6=100 Peak 513 from nnoeabs.peaks (1.36, 8.86, 124.89 ppm; 3.89 A): 2 out of 6 assignments used, quality = 0.96: * HB3 LEU 81 + H LEU 82 OK 89 100 - 89 - 4.6=60, 3.0/511=32...(8) HG LEU 81 + H LEU 82 OK 68 92 - 74 - 2.1/7720=36, 4.3/511=22...(8) HG3 LYS 65 - H LEU 82 lone 8 87 - 9 - 10805/4.9=5, 10805/4.6=2 HG2 LYS 94 - H LEU 82 lone 2 84 - 3 - 3.0/1544=2 HG2 LYS 77 - H LEU 82 lone 2 100 - 2 - HG3 LYS 43 - H LEU 82 lone 0 81 - 1 - Peak 514 from nnoeabs.peaks (1.35, 8.86, 124.89 ppm; 3.89 A): 2 out of 4 assignments used, quality = 0.95: HB3 LEU 81 + H LEU 82 OK 82 92 - 89 - 4.6=60, 3.0/511=32...(8) * HG LEU 81 + H LEU 82 OK 75 100 - 75 - 2.1/7720=36, 7719=23...(8) HG3 LYS 65 - H LEU 82 OK 11 100 - 11 - 10805/4.9=7, 10805/4.6=2 HG2 LYS 77 - H LEU 82 lone 1 94 - 2 - Peak 515 from nnoeabs.peaks (0.79, 8.86, 124.89 ppm; 3.19 A): 4 out of 7 assignments used, quality = 0.94: * QD1 LEU 81 + H LEU 82 OK 72 100 - 72 - 7720=32, 5538/3.6=18...(12) QD1 LEU 82 + H LEU 82 OK 71 90 - 80 - 4.6=34, 2.1/1545=25...(13) QD2 LEU 80 + H LEU 82 OK 14 84 - 17 - 1539/4.6=4, 5514/3.6=4...(8) QD1 LEU 80 + H LEU 82 OK 14 81 - 18 - 7715/4.6=9, 5514/3.6=3...(6) QD2 LEU 64 - H LEU 82 lone 7 98 - 7 - 2.1/1546=2, 3.1/1543=1 QG1 VAL 29 - H LEU 82 lone 1 90 - 1 - QD1 LEU 114 - H LEU 82 lone 0 73 - 1 - Peak 516 from nnoeabs.peaks (0.71, 8.86, 124.89 ppm; 4.64 A): 1 out of 9 assignments used, quality = 0.98: * QD2 LEU 81 + H LEU 82 OK 98 100 - 98 - 4.9=84, 2.1/7720=44...(9) QD1 ILE 57 - H LEU 82 OK 20 100 - 20 - 9556/4.6=9, 4.9/9984=4...(5) QD1 LEU 6 - H LEU 82 lone 7 94 - 8 - 1540/4.6=7 QG2 ILE 56 - H LEU 82 lone 7 87 - 8 - 4.4/9984=5, 9534/4.6=2 QD2 LEU 63 - H LEU 82 lone 3 100 - 3 - QG1 VAL 117 - H LEU 82 lone 2 77 - 3 - 10511/4.0=1 QG2 VAL 78 - H LEU 82 lone 2 61 - 3 - 9884/4.6=2 QG2 ILE 18 - H LEU 82 lone 1 87 - 1 - QD2 LEU 45 - H LEU 82 lone 1 61 - 1 - Peak 517 from nnoeabs.peaks (8.86, 8.44, 122.15 ppm; 5.25 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 82 + H GLN 83 OK 100 100 - 100 - 4.6=100 Peak 518 from nnoeabs.peaks (4.91, 8.44, 122.15 ppm; 2.98 A): 1 out of 3 assignments used, quality = 0.76: * HA LEU 82 + H GLN 83 OK 76 100 - 76 - 3.6=58, 3.0/519=11...(9) HA ILE 57 - H GLN 83 lone 8 100 - 8 - 3.0/9576=2, 3.2/522=2...(4) HA ARG 105 - H GLN 83 lone 3 99 - 3 - Peak 519 from nnoeabs.peaks (1.62, 8.44, 122.15 ppm; 3.85 A): 3 out of 10 assignments used, quality = 0.93: * HB2 LEU 82 + H GLN 83 OK 90 100 - 91 - 4.5=61, 3.0/518=32...(8) HG LEU 90 + H GLN 83 OK 18 65 - 28 - ~10074=11, 2.1/11306=9...(6) HB3 LEU 64 + H GLN 83 OK 11 96 - 11 - 3.1/522=3, 3.6/2082=2...(4) HB ILE 116 - H GLN 83 lone 8 94 - 8 - 1543/4.6=2, ~10473=2 HG LEU 63 - H GLN 83 lone 6 100 - 6 - 3.0/1551=2, ~10005=1 HD3 LYS 77 - H GLN 83 lone 1 100 - 1 - HD2 LYS 77 - H GLN 83 lone 1 100 - 1 - HG2 LYS 16 - H GLN 83 lone 1 98 - 1 - HG3 LYS 40 - H GLN 83 lone 1 100 - 1 - HB3 LEU 127 - H GLN 83 lone 1 96 - 1 - Peak 520 from nnoeabs.peaks (1.74, 8.44, 122.15 ppm; 4.27 A): 1 out of 12 assignments used, quality = 0.97: * HB3 LEU 82 + H GLN 83 OK 97 100 - 97 - 4.5=83, 3.0/518=37...(8) HB3 LEU 90 - H GLN 83 OK 24 81 - 29 - 3.1/11306=11, ~10074=11...(5) HB3 LYS 94 - H GLN 83 lone 5 100 - 5 - 10980/523=2, 1544/4.6=2 HG3 ARG 105 - H GLN 83 lone 4 73 - 5 - 1544/4.6=2, ~10896=1, 4.0/518=1 HB2 LEU 80 - H GLN 83 lone 3 70 - 5 - 3.1/523=2, 1544/4.6=1 HG2 LYS 17 - H GLN 83 lone 3 61 - 5 - 1.8/1551=3, 3.8/10003=2 HB2 LEU 114 - H GLN 83 lone 2 100 - 2 - HG12 ILE 15 - H GLN 83 lone 1 92 - 1 - HB3 LYS 49 - H GLN 83 lone 1 61 - 1 - HB2 LEU 68 - H GLN 83 lone 1 90 - 1 - HG2 ARG 118 - H GLN 83 lone 1 97 - 1 - HD3 LYS 123 - H GLN 83 lone 1 87 - 1 - Peak 522 from nnoeabs.peaks (0.82, 8.44, 122.15 ppm; 3.59 A): 3 out of 8 assignments used, quality = 0.83: * QD2 LEU 82 + H GLN 83 OK 78 100 - 78 - 7726=28, 5580/3.6=22...(10) QD1 LEU 64 + H GLN 83 OK 12 90 - 14 - 2.1/523=3, 5556/3.6=2...(7) QG2 ILE 57 + H GLN 83 OK 10 77 - 13 - 3.2/518=3, 4.0/9576=3...(6) QD1 LEU 114 - H GLN 83 lone 2 57 - 4 - 10448/10003=1 QG2 ILE 71 - H GLN 83 lone 1 96 - 2 - QG2 ILE 5 - H GLN 83 lone 1 73 - 2 - QD1 LEU 74 - H GLN 83 lone 1 96 - 1 - QD2 LEU 74 - H GLN 83 lone 1 98 - 1 - Peak 523 from nnoeabs.peaks (0.78, 8.44, 122.15 ppm; 3.60 A): 5 out of 10 assignments used, quality = 0.89: * QD1 LEU 82 + H GLN 83 OK 70 100 - 70 - 2.1/522=25, 3.9/518=22...(7) QG1 VAL 107 + H GLN 83 OK 32 77 - 42 - 10310/3.0=9, ~10305=8...(12) QD1 LEU 81 + H GLN 83 OK 24 90 - 26 - 7720/4.6=14, 5557/3.6=5...(5) QD2 LEU 14 + H GLN 83 OK 21 77 - 28 - 11007/5.0=7, 11518/4.0=7...(8) QD2 LEU 64 + H GLN 83 OK 14 99 - 15 - 2.1/522=4, 9101/10003=3...(6) QD2 LEU 80 - H GLN 83 lone 9 100 - 9 - 11093/4.5=3, 5557/3.6=2...(4) QD1 ILE 7 - H GLN 83 lone 8 90 - 9 - 7332/9989=3, 5557/3.6=2 QG2 VAL 32 - H GLN 83 lone 6 77 - 8 - 3427=3, 9283/4.5=2 QD1 LEU 80 - H GLN 83 lone 5 100 - 5 - 1547/4.6=2, 5557/3.6=1 QD1 ILE 15 - H GLN 83 lone 1 81 - 2 - Peak 524 from nnoeabs.peaks (8.44, 8.21, 124.45 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 83 + H ASP 84 OK 100 100 - 100 - 4.5=100 Peak 525 from nnoeabs.peaks (5.26, 8.21, 124.45 ppm; 3.27 A): 1 out of 2 assignments used, quality = 0.84: * HA GLN 83 + H ASP 84 OK 84 100 - 84 - 3.6=77, 3.9/528=13...(8) HA LEU 81 - H ASP 84 lone 3 94 - 3 - Peak 526 from nnoeabs.peaks (2.21, 8.21, 124.45 ppm; 5.38 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 83 + H ASP 84 OK 100 100 - 100 - 4.4=100 Peak 527 from nnoeabs.peaks (1.42, 8.21, 124.45 ppm; 4.71 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 83 + H ASP 84 OK 100 100 - 100 - 4.4=100 Peak 528 from nnoeabs.peaks (2.34, 8.21, 124.45 ppm; 4.09 A): 1 out of 7 assignments used, quality = 0.70: * HG2 GLN 83 + H ASP 84 OK 70 100 - 70 - 3.9/525=29, 7731=22...(9) HG3 GLU 112 - H ASP 84 lone 4 100 - 4 - 11020/10021=1 HG2 GLU 112 - H ASP 84 lone 4 100 - 4 - 11020/10021=1 HG3 GLN 100 - H ASP 84 lone 1 77 - 2 - 1552/4.5=1 HB3 PHE 120 - H ASP 84 lone 1 97 - 1 - HG3 GLU 103 - H ASP 84 lone 1 84 - 1 - HG3 GLU 48 - H ASP 84 lone 1 70 - 1 - Peak 529 from nnoeabs.peaks (2.12, 8.21, 124.45 ppm; 4.29 A): 3 out of 14 assignments used, quality = 0.88: * HG3 GLN 83 + H ASP 84 OK 74 100 - 74 - 1.8/528=35, 3.9/525=32...(9) HB VAL 107 + H ASP 84 OK 44 100 - 44 - 4.4/11403=14...(7) HB2 LEU 38 + H ASP 84 OK 20 100 - 20 - 3.1/10020=6, 3.0/3537=5...(6) HB2 GLU 91 - H ASP 84 lone 3 96 - 3 - 4.0/2138=2 HG2 GLU 41 - H ASP 84 lone 2 73 - 3 - 9300/9282=1 HB2 GLU 111 - H ASP 84 lone 2 65 - 2 - HG2 GLU 52 - H ASP 84 lone 1 70 - 2 - 3.0/10022=1 HB3 GLU 92 - H ASP 84 lone 1 92 - 2 - HB2 GLU 21 - H ASP 84 lone 1 100 - 1 - HB2 GLU 119 - H ASP 84 lone 1 100 - 1 - HB3 GLU 119 - H ASP 84 lone 1 100 - 1 - HG2 GLU 21 - H ASP 84 lone 1 90 - 1 - HB3 GLU 47 - H ASP 84 lone 1 97 - 1 - HG3 GLU 21 - H ASP 84 lone 1 84 - 1 - Peak 530 from nnoeabs.peaks (7.20, 8.21, 124.45 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.99: * HE21 GLN 83 + H ASP 84 OK 90 100 - 90 - 3.5/528=41, 5.9/525=37...(14) HE22 GLN 83 + H ASP 84 OK 89 100 - 89 - 3.5/528=41, 5.9/525=37...(14) Peak 532 from nnoeabs.peaks (8.21, 8.62, 120.20 ppm; 4.90 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 84 + H GLN 85 OK 100 100 - 100 - 4.6=100 Peak 533 from nnoeabs.peaks (4.50, 8.62, 120.20 ppm; 2.96 A): 1 out of 4 assignments used, quality = 0.70: * HA ASP 84 + H GLN 85 OK 70 100 - 70 - 3.6=57, 3.0/534=14...(4) HA GLU 103 - H GLN 85 lone 1 99 - 1 - HA GLN 28 - H GLN 85 lone 1 100 - 1 - HA ASP 36 - H GLN 85 lone 1 70 - 1 - Peak 534 from nnoeabs.peaks (2.59, 8.62, 120.20 ppm; 4.30 A): 1 out of 3 assignments used, quality = 0.94: * HB2 ASP 84 + H GLN 85 OK 94 100 - 94 - 4.6=84, 3.0/533=40...(5) HG3 MET 1 - H GLN 85 lone 1 81 - 2 - HE3 LYS 77 - H GLN 85 lone 1 87 - 1 - Peak 535 from nnoeabs.peaks (2.66, 8.62, 120.20 ppm; 4.41 A): 1 out of 7 assignments used, quality = 0.97: * HB3 ASP 84 + H GLN 85 OK 97 100 - 97 - 4.6=90, 3.0/533=42...(5) HB3 ASP 110 - H GLN 85 poor 8 70 - 12 - 4.0/1928=6, 1.8/1564=2 HG2 MET 42 - H GLN 85 lone 2 96 - 2 - HB3 ASP 36 - H GLN 85 lone 1 100 - 1 - HB2 TYR 76 - H GLN 85 lone 1 100 - 1 - HB2 TYR 27 - H GLN 85 lone 1 100 - 1 - HE3 LYS 61 - H GLN 85 lone 1 92 - 1 - Peak 536 from nnoeabs.peaks (8.62, 8.69, 120.51 ppm; 3.33 A): 1 out of 8 assignments used, quality = 0.72: * H GLN 85 + H ASP 86 OK 72 100 - 72 - 4.6=38, 3.0/537=22...(9) H THR 108 - H ASP 86 poor 9 84 - 11 - 4.0/10045=7, 5653/4.6=1 H LYS 94 - H ASP 86 lone 2 90 - 2 - H ASN 8 - H ASP 86 lone 1 70 - 1 - H LYS 49 - H ASP 86 lone 1 92 - 1 - H ILE 71 - H ASP 86 lone 1 61 - 1 - H ALA 124 - H ASP 86 lone 1 73 - 1 - H LEU 80 - H ASP 86 lone 1 73 - 1 - Peak 537 from nnoeabs.peaks (4.33, 8.69, 120.51 ppm; 3.49 A): 1 out of 6 assignments used, quality = 0.97: * HA GLN 85 + H ASP 86 OK 97 100 - 97 - 3.6=94, 3.0/536=24...(7) HA GLU 98 - H ASP 86 lone 7 100 - 7 - 2.9/538=2, 10161/11510=2 HA PHE 93 - H ASP 86 lone 2 98 - 3 - HA SER 99 - H ASP 86 lone 1 94 - 1 - HA LYS 49 - H ASP 86 lone 1 73 - 1 - HB THR 9 - H ASP 86 lone 0 84 - 1 - Peak 538 from nnoeabs.peaks (2.17, 8.69, 120.51 ppm; 4.14 A): 2 out of 8 assignments used, quality = 0.92: * HB2 GLN 85 + H ASP 86 OK 91 100 - 91 - 4.6=72, 3.0/537=32...(7) HB2 GLU 98 + H ASP 86 OK 13 98 - 14 - 7737=4, 2.9/537=2...(6) HB3 GLN 62 - H ASP 86 lone 8 98 - 8 - 3.0/540=3, 3.0/540=3, 1562/4.6=2 HB2 GLN 62 - H ASP 86 lone 8 98 - 8 - 3.0/540=3, 3.0/540=3, 1562/4.6=2 HG3 GLU 66 - H ASP 86 lone 4 81 - 6 - 3.0/539=1 HB3 GLU 37 - H ASP 86 lone 2 100 - 2 - HB3 GLU 13 - H ASP 86 lone 1 84 - 1 - HB2 MET 42 - H ASP 86 lone 1 65 - 1 - Peak 539 from nnoeabs.peaks (2.04, 8.69, 120.51 ppm; 3.79 A): 4 out of 17 assignments used, quality = 0.92: * HB3 GLN 85 + H ASP 86 OK 85 100 - 85 - 4.6=55, 3.0/537=28...(10) HB3 GLU 87 + H ASP 86 OK 25 100 - 25 - 5709/4.7=15, 7738=4...(5) HB2 GLU 89 + H ASP 86 OK 15 100 - 15 - 7738=4, 9309/4.0=3...(5) HB3 GLU 89 + H ASP 86 OK 15 100 - 15 - 7738=4, 9309/4.0=3...(5) HB3 GLU 98 - H ASP 86 lone 8 84 - 10 - 1.8/538=3, 2.9/537=2...(4) HB3 GLU 111 - H ASP 86 poor 7 70 - 10 - 9309/4.0=3, 10049/4.0=3...(5) HB2 GLU 66 - H ASP 86 lone 7 100 - 7 - 7738=2, 1563/4.6=1 HB3 MET 67 - H ASP 86 lone 2 94 - 2 - HB VAL 117 - H ASP 86 lone 1 97 - 1 - HB2 GLU 48 - H ASP 86 lone 1 100 - 1 - HB3 GLU 48 - H ASP 86 lone 1 100 - 1 - HB3 GLN 100 - H ASP 86 lone 1 96 - 1 - HB2 GLU 92 - H ASP 86 lone 1 84 - 1 - HB2 MET 1 - H ASP 86 lone 1 92 - 1 - HG3 GLU 52 - H ASP 86 lone 1 99 - 1 - HB2 GLU 47 - H ASP 86 lone 1 73 - 1 - HB2 GLN 25 - H ASP 86 lone 0 61 - 1 - Peak 540 from nnoeabs.peaks (2.41, 8.69, 120.51 ppm; 4.37 A): 4 out of 9 assignments used, quality = 0.95: * HG2 GLN 85 + H ASP 86 OK 73 100 - 73 - 3.9/537=29, 3.0/538=24...(6) HG3 GLN 85 + H ASP 86 OK 72 100 - 73 - 3.9/537=29, 3.0/538=24...(6) HG3 GLN 62 + H ASP 86 OK 18 99 - 18 - 5649/3.6=4, 7739=3...(8) HG2 GLN 62 + H ASP 86 OK 18 98 - 18 - 5649/3.6=4, 7739=3...(8) HB2 ASP 110 - H ASP 86 lone 8 94 - 8 - 4.4/699=3, 1.8/6587=3 HG2 GLU 66 - H ASP 86 lone 5 73 - 7 - 1.8/538=1, 3.0/539=1 HG3 MET 67 - H ASP 86 lone 3 87 - 3 - HG2 GLN 122 - H ASP 86 lone 2 100 - 2 - HG2 GLU 91 - H ASP 86 lone 1 92 - 1 - Peak 541 from nnoeabs.peaks (2.40, 8.69, 120.51 ppm; 4.37 A): 4 out of 9 assignments used, quality = 0.95: * HG3 GLN 85 + H ASP 86 OK 73 100 - 73 - 3.9/537=29, 3.0/538=24...(6) HG2 GLN 85 + H ASP 86 OK 72 100 - 73 - 3.9/537=29, 3.0/538=24...(6) HG3 GLN 62 + H ASP 86 OK 18 97 - 18 - 5649/3.6=4, 7739=3...(8) HG2 GLN 62 + H ASP 86 OK 17 96 - 18 - 5649/3.6=4, 7739=3...(8) HB2 ASP 110 - H ASP 86 lone 8 90 - 8 - 4.4/699=3, 1.8/6587=3 HG2 GLU 66 - H ASP 86 lone 5 81 - 7 - 1.8/538=1, 3.0/539=1 HG3 MET 67 - H ASP 86 lone 3 92 - 3 - HG2 GLN 122 - H ASP 86 lone 2 100 - 2 - HG2 GLU 91 - H ASP 86 lone 1 87 - 1 - Peak 545 from nnoeabs.peaks (4.68, 8.64, 123.60 ppm; 2.86 A): 1 out of 5 assignments used, quality = 0.66: * HA ASP 86 + H GLU 87 OK 66 100 - 66 - 3.6=52, 3.0/547=13...(5) HA ASP 34 - H GLU 87 lone 1 65 - 2 - 10058/4.6=1 HA LYS 53 - H GLU 87 lone 0 99 - 0 - HA ASN 11 - H GLU 87 lone 0 96 - 0 - HA TYR 102 - H GLU 87 lone 0 84 - 0 - Peak 546 from nnoeabs.peaks (2.93, 8.64, 123.60 ppm; 4.35 A): 1 out of 15 assignments used, quality = 0.96: * HB2 ASP 86 + H GLU 87 OK 96 100 - 96 - 4.6=84, 3.0/545=42...(8) HE3 LYS 94 - H GLU 87 lone 2 92 - 2 - HB2 ASP 34 - H GLU 87 lone 1 65 - 2 - HE2 LYS 65 - H GLU 87 lone 1 90 - 1 - HE3 LYS 65 - H GLU 87 lone 1 90 - 1 - HE3 LYS 96 - H GLU 87 lone 1 100 - 1 - HE2 LYS 96 - H GLU 87 lone 1 100 - 1 - HE2 LYS 44 - H GLU 87 lone 1 100 - 1 - HE3 LYS 44 - H GLU 87 lone 1 100 - 1 - HD3 ARG 30 - H GLU 87 lone 1 98 - 1 - HE2 LYS 115 - H GLU 87 lone 1 65 - 1 - HE3 LYS 115 - H GLU 87 lone 1 65 - 1 - HB2 ASN 33 - H GLU 87 lone 1 70 - 1 - HE3 LYS 16 - H GLU 87 lone 1 70 - 1 - HE2 LYS 16 - H GLU 87 lone 1 70 - 1 - Peak 547 from nnoeabs.peaks (2.57, 8.64, 123.60 ppm; 4.28 A): 1 out of 4 assignments used, quality = 0.95: * HB3 ASP 86 + H GLU 87 OK 95 100 - 95 - 4.6=80, 3.0/545=42...(5) HG2 MET 67 - H GLU 87 lone 1 100 - 1 - HB3 ASP 60 - H GLU 87 lone 1 100 - 1 - HE3 LYS 77 - H GLU 87 lone 1 92 - 1 - Peak 548 from nnoeabs.peaks (8.64, 8.53, 118.84 ppm; 3.51 A): 1 out of 3 assignments used, quality = 0.72: * H GLU 87 + H ASN 88 OK 72 100 - 72 - 4.6=43, 3.6/10058=16...(7) H ASN 8 - H ASN 88 lone 9 96 - 9 - 10673/11177=2...(3) H VAL 104 - H ASN 88 lone 6 94 - 6 - 5703/4.6=2, 4.7/550=1 Peak 549 from nnoeabs.peaks (4.04, 8.53, 118.84 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 87 + H ASN 88 OK 100 100 - 100 - 3.6=100 Peak 550 from nnoeabs.peaks (2.09, 8.53, 118.84 ppm; 3.75 A): 3 out of 15 assignments used, quality = 0.87: * HB2 GLU 87 + H ASN 88 OK 83 100 - 83 - 4.6=53, 5704/3.6=26...(6) HB2 GLU 111 + H ASN 88 OK 13 99 - 13 - 7870/4.6=3, 3.9/1931=2...(6) HB2 GLU 103 + H ASN 88 OK 10 97 - 10 - 11014/2.9=8, 4.7/548=1 HB3 GLU 66 - H ASN 88 lone 4 100 - 4 - HB3 GLU 92 - H ASN 88 lone 4 84 - 5 - ~8174=2, 1.8/551=1 HB2 GLU 112 - H ASN 88 lone 3 92 - 4 - 4.0/1931=2 HB3 GLU 112 - H ASN 88 lone 3 90 - 3 - 4.0/1931=2 HB3 MET 121 - H ASN 88 lone 2 70 - 3 - 4.6/2129=2 HB3 GLU 47 - H ASN 88 lone 2 73 - 3 - HG2 GLU 119 - H ASN 88 lone 2 65 - 3 - HB3 GLU 69 - H ASN 88 lone 1 99 - 1 - HG2 GLU 52 - H ASN 88 lone 1 98 - 1 - HG3 GLU 21 - H ASN 88 lone 1 92 - 1 - HG2 GLU 21 - H ASN 88 lone 1 87 - 1 - HB3 PHE 79 - H ASN 88 lone 1 61 - 1 - Peak 551 from nnoeabs.peaks (2.04, 8.53, 118.84 ppm; 3.65 A): 3 out of 17 assignments used, quality = 0.90: * HB3 GLU 87 + H ASN 88 OK 76 100 - 76 - 4.6=49, 1.8/7745=24...(8) HB2 GLU 89 + H ASN 88 OK 35 100 - 35 - 4.0/554=19, 4.7/2129=6...(6) HB3 GLU 89 + H ASN 88 OK 35 100 - 35 - 4.0/554=19, 4.7/2129=6...(6) HB3 GLU 111 - H ASN 88 poor 9 70 - 14 - 1.8/550=3, 3.9/1931=2...(6) HB2 GLU 92 - H ASN 88 lone 7 84 - 8 - ~8172=2, 1586/4.6=2, 1.8/550=1 HB3 GLN 85 - H ASN 88 lone 5 100 - 5 - 5709/4.6=2, 7746=1 HB2 GLU 66 - H ASN 88 lone 4 100 - 4 - 1.8/550=1 HB2 GLU 47 - H ASN 88 lone 2 73 - 3 - HB3 GLU 98 - H ASN 88 lone 1 84 - 1 - HB2 GLU 48 - H ASN 88 lone 1 100 - 1 - HB3 GLU 48 - H ASN 88 lone 1 100 - 1 - HB VAL 117 - H ASN 88 lone 1 97 - 1 - HB3 GLN 100 - H ASN 88 lone 1 96 - 1 - HG3 GLU 52 - H ASN 88 lone 1 99 - 1 - HB3 MET 67 - H ASN 88 lone 1 94 - 1 - HB2 MET 1 - H ASN 88 lone 1 92 - 1 - HB2 GLN 25 - H ASN 88 lone 0 61 - 1 - Peak 552 from nnoeabs.peaks (2.29, 8.53, 118.84 ppm; 3.98 A): 2 out of 8 assignments used, quality = 0.97: * HG2 GLU 87 + H ASN 88 OK 83 100 - 83 - 5.0=51, 3.0/7746=23...(8) HG3 GLU 87 + H ASN 88 OK 83 100 - 83 - 5.0=51, 3.0/7746=23...(8) HG3 GLU 91 - H ASN 88 OK 35 96 - 37 - ~8172=9, 11104/2.9=8...(7) HG3 GLU 89 - H ASN 88 OK 24 73 - 32 - 5.2/554=17, 3.0/551=6...(6) HG2 GLU 111 - H ASN 88 OK 19 96 - 20 - 7748=3, 11462/4.0=3...(8) HG2 GLU 47 - H ASN 88 lone 5 100 - 5 - HB2 MET 121 - H ASN 88 lone 5 99 - 5 - 4.6/2129=2 HG3 GLU 13 - H ASN 88 lone 2 77 - 2 - Peak 553 from nnoeabs.peaks (2.29, 8.53, 118.84 ppm; 3.98 A): 2 out of 8 assignments used, quality = 0.97: HG2 GLU 87 + H ASN 88 OK 83 100 - 83 - 5.0=51, 3.0/7746=23...(8) * HG3 GLU 87 + H ASN 88 OK 83 100 - 83 - 5.0=51, 3.0/7746=23...(8) HG3 GLU 91 - H ASN 88 OK 35 96 - 37 - ~8172=9, 11104/2.9=8...(7) HG3 GLU 89 - H ASN 88 OK 24 73 - 32 - 5.2/554=17, 3.0/551=6...(6) HG2 GLU 111 - H ASN 88 OK 19 96 - 20 - 7748=3, 11462/4.0=3...(8) HG2 GLU 47 - H ASN 88 lone 5 100 - 5 - HB2 MET 121 - H ASN 88 lone 5 99 - 5 - 4.6/2129=2 HG3 GLU 13 - H ASN 88 lone 2 77 - 2 - Peak 554 from nnoeabs.peaks (8.53, 8.22, 120.95 ppm; 3.77 A): 1 out of 3 assignments used, quality = 0.81: * H ASN 88 + H GLU 89 OK 81 100 - 81 - 4.6=54, 1580/4.2=21...(13) H LYS 19 - H GLU 89 lone 3 99 - 3 - H ILE 57 - H GLU 89 lone 1 81 - 1 - Peak 555 from nnoeabs.peaks (4.56, 8.22, 120.95 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 88 + H GLU 89 OK 100 100 - 100 - 3.6=100 Peak 556 from nnoeabs.peaks (2.85, 8.22, 120.95 ppm; 4.08 A): 1 out of 4 assignments used, quality = 0.95: * HB2 ASN 88 + H GLU 89 OK 95 100 - 95 - 4.2=89, 1.8/557=29...(5) HE2 LYS 17 - H GLU 89 lone 3 100 - 3 - HB2 ASP 36 - H GLU 89 lone 3 96 - 3 - HB3 TYR 76 - H GLU 89 lone 1 100 - 1 - Peak 557 from nnoeabs.peaks (2.90, 8.22, 120.95 ppm; 3.88 A): 2 out of 13 assignments used, quality = 0.90: * HB3 ASN 88 + H GLU 89 OK 89 100 - 89 - 4.2=76, 1.8/556=32...(7) HB2 ASP 34 + H GLU 89 OK 11 99 - 11 - 3.0/10071=4, 4.0/9325=3 HB2 ASN 8 - H GLU 89 lone 6 81 - 7 - 4.0/2131=2, 4.6/1932=2 HB2 ASN 33 - H GLU 89 lone 5 99 - 5 - 4.6/9325=2 HE2 LYS 65 - H GLU 89 lone 3 90 - 3 - HE3 LYS 65 - H GLU 89 lone 3 90 - 3 - HE3 LYS 17 - H GLU 89 lone 3 99 - 3 - HE2 LYS 115 - H GLU 89 lone 2 99 - 2 - HE3 LYS 115 - H GLU 89 lone 2 99 - 2 - HE2 LYS 16 - H GLU 89 lone 1 99 - 1 - HE3 LYS 16 - H GLU 89 lone 1 99 - 1 - HB2 ASN 10 - H GLU 89 lone 1 100 - 1 - HE3 LYS 94 - H GLU 89 lone 1 87 - 1 - Peak 560 from nnoeabs.peaks (8.22, 8.05, 119.58 ppm; 3.93 A): 2 out of 6 assignments used, quality = 0.87: * H GLU 89 + H LEU 90 OK 85 100 - 85 - 4.6=61, 3.0/7752=27...(11) H ASP 84 + H LEU 90 OK 13 73 - 17 - 11577/4.4=9, 10020/4.4=6 H GLU 111 - H LEU 90 lone 8 96 - 9 - 5.2/564=1, 2138/4.6=1, 4.6/695=1 H GLU 112 - H LEU 90 lone 6 84 - 7 - H LEU 38 - H LEU 90 lone 5 65 - 8 - 11577/4.4=3, 1237/4.4=2...(4) H ILE 15 - H LEU 90 lone 1 70 - 1 - Peak 561 from nnoeabs.peaks (4.15, 8.05, 119.58 ppm; 4.91 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 89 + H LEU 90 OK 100 100 - 100 - 3.6=100 Peak 562 from nnoeabs.peaks (2.04, 8.05, 119.58 ppm; 3.97 A): 2 out of 17 assignments used, quality = 0.97: HB3 GLU 89 + H LEU 90 OK 84 100 - 84 - 4.7=62, 3.0/7752=27...(8) * HB2 GLU 89 + H LEU 90 OK 84 100 - 84 - 4.7=62, 3.0/7752=27...(8) HB3 GLU 87 - H LEU 90 OK 35 100 - 35 - 3.0/8164=15, 4.6/2129=8...(7) HB2 GLU 92 - H LEU 90 OK 22 84 - 27 - 8180/3.6=11, 3.0/7756=5...(6) HB2 GLU 66 - H LEU 90 OK 13 100 - 13 - 3.7/398=3, 11060/4.4=2...(6) HB3 GLU 111 - H LEU 90 lone 6 70 - 9 - 6603/4.6=2, 3.0/7755=2...(5) HB3 GLN 85 - H LEU 90 lone 5 100 - 5 - HB3 GLN 100 - H LEU 90 lone 2 96 - 2 - HB3 GLU 98 - H LEU 90 lone 2 84 - 2 - HB VAL 117 - H LEU 90 lone 2 97 - 2 - HB2 GLU 48 - H LEU 90 lone 1 100 - 1 - HB3 GLU 48 - H LEU 90 lone 1 100 - 1 - HB3 MET 67 - H LEU 90 lone 1 94 - 1 - HG3 GLU 52 - H LEU 90 lone 1 99 - 1 - HB2 GLU 47 - H LEU 90 lone 1 73 - 1 - HB2 MET 1 - H LEU 90 lone 1 92 - 1 - HB2 GLN 25 - H LEU 90 lone 0 61 - 1 - Peak 563 from nnoeabs.peaks (2.04, 8.05, 119.58 ppm; 3.97 A): 2 out of 17 assignments used, quality = 0.97: * HB3 GLU 89 + H LEU 90 OK 84 100 - 84 - 4.7=62, 3.0/7752=27...(8) HB2 GLU 89 + H LEU 90 OK 84 100 - 84 - 4.7=62, 3.0/7752=27...(8) HB3 GLU 87 - H LEU 90 OK 35 100 - 35 - 3.0/8164=15, 4.6/2129=8...(7) HB2 GLU 92 - H LEU 90 OK 22 84 - 27 - 8180/3.6=11, 3.0/7756=5...(6) HB2 GLU 66 - H LEU 90 OK 13 100 - 13 - 3.7/398=3, 11060/4.4=2...(6) HB3 GLU 111 - H LEU 90 lone 6 70 - 9 - 6603/4.6=2, 3.0/7755=2...(5) HB3 GLN 85 - H LEU 90 lone 5 100 - 5 - HB3 GLN 100 - H LEU 90 lone 2 96 - 2 - HB3 GLU 98 - H LEU 90 lone 2 84 - 2 - HB VAL 117 - H LEU 90 lone 2 97 - 2 - HB2 GLU 48 - H LEU 90 lone 1 100 - 1 - HB3 GLU 48 - H LEU 90 lone 1 100 - 1 - HB3 MET 67 - H LEU 90 lone 1 94 - 1 - HG3 GLU 52 - H LEU 90 lone 1 99 - 1 - HB2 GLU 47 - H LEU 90 lone 1 73 - 1 - HB2 MET 1 - H LEU 90 lone 1 92 - 1 - HB2 GLN 25 - H LEU 90 lone 0 61 - 1 - Peak 564 from nnoeabs.peaks (2.26, 8.05, 119.58 ppm; 6.20 A): 3 out of 7 assignments used, quality = 0.92: * HG2 GLU 89 + H LEU 90 OK 78 100 - 78 - 3.8/7752=38, 5.2/560=28...(6) HG3 GLU 92 + H LEU 90 OK 51 100 - 52 - 5749/3.6=15, 1588/4.6=13...(8) HG3 GLU 111 + H LEU 90 OK 22 98 - 23 - 1588/4.6=6, 5749/3.6=6...(7) HB2 GLU 37 - H LEU 90 lone 7 98 - 7 - 4.7/560=2, 1588/4.6=1 HB3 ASN 8 - H LEU 90 lone 7 92 - 8 - 1588/4.6=2, 3.5/10747=1 HG2 GLU 103 - H LEU 90 lone 7 97 - 7 - 1588/4.6=1, 5749/3.6=1 HG2 GLU 69 - H LEU 90 lone 6 92 - 7 - Peak 565 from nnoeabs.peaks (2.31, 8.05, 119.58 ppm; 6.20 A): 4 out of 8 assignments used, quality = 0.97: * HG3 GLU 89 + H LEU 90 OK 79 100 - 79 - 3.8/7752=38, 5.2/560=28...(6) HG2 GLU 92 + H LEU 90 OK 52 99 - 53 - 5750/3.6=15, 5769/4.6=13...(8) HG3 GLU 87 + H LEU 90 OK 42 73 - 58 - 4.0/8164=26, 5.0/2129=18...(9) HG2 GLU 87 + H LEU 90 OK 42 73 - 58 - 4.0/8164=26, 5.0/2129=18...(9) HG3 GLU 13 - H LEU 90 lone 7 100 - 7 - 5750/3.6=1, 7756=1, 5769/4.6=1 HG3 GLU 103 - H LEU 90 lone 6 87 - 7 - 1.8/564=2, 5750/3.6=1 HG3 GLU 48 - H LEU 90 lone 5 96 - 5 - HG2 GLU 47 - H LEU 90 lone 3 73 - 5 - Peak 566 from nnoeabs.peaks (8.05, 7.94, 119.03 ppm; 3.32 A): 2 out of 7 assignments used, quality = 0.75: * H LEU 90 + H GLU 91 OK 71 100 - 71 - 4.6=37, 4.0/568=14...(10) H GLN 122 + H GLU 91 OK 15 97 - 15 - 3.0/8308=6, 4.6/2238=2...(4) H LYS 65 - H GLU 91 lone 7 94 - 8 - 5803/4.6=1, 5810/4.6=1 H ASP 109 - H GLU 91 lone 6 90 - 7 - 693/3.6=2, 5810/4.6=1...(4) H THR 9 - H GLU 91 lone 3 100 - 3 - H VAL 22 - H GLU 91 lone 1 92 - 1 - H HIS 131 - H GLU 91 lone 1 87 - 1 - Peak 567 from nnoeabs.peaks (4.21, 7.94, 119.03 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 90 + H GLU 91 OK 100 100 - 100 - 3.6=100 Peak 568 from nnoeabs.peaks (1.78, 7.94, 119.03 ppm; 3.66 A): 1 out of 7 assignments used, quality = 0.81: * HB2 LEU 90 + H GLU 91 OK 81 100 - 81 - 4.6=50, 1.8/569=19...(8) HB2 LEU 64 - H GLU 91 lone 6 84 - 7 - 1.8/570=2, 4.2/566=1...(4) HB VAL 32 - H GLU 91 lone 3 100 - 3 - 2.1/572=1 HB3 GLN 28 - H GLU 91 lone 2 97 - 2 - HB2 LYS 19 - H GLU 91 lone 2 87 - 2 - HB2 LEU 55 - H GLU 91 lone 2 77 - 2 - HG12 ILE 18 - H GLU 91 lone 1 90 - 1 - Peak 569 from nnoeabs.peaks (1.72, 7.94, 119.03 ppm; 3.80 A): 4 out of 11 assignments used, quality = 0.93: * HB3 LEU 90 + H GLU 91 OK 87 100 - 87 - 4.6=56, 1.8/568=33...(7) HB3 LYS 94 + H GLU 91 OK 26 84 - 31 - 8195/2.9=8, 1.8/1600=6...(8) HB2 LYS 106 + H GLU 91 OK 16 98 - 17 - 5813/4.6=4, 5806/4.6=4...(5) HB3 LYS 106 + H GLU 91 OK 16 96 - 16 - 5813/4.6=4, 5806/4.6=4...(4) HB3 LEU 82 - H GLU 91 poor 8 81 - 11 - 9965/4.6=4, 9965/4.6=4 HB2 LEU 114 - H GLU 91 lone 2 84 - 2 - HG12 ILE 15 - H GLU 91 lone 1 99 - 1 - HG2 ARG 118 - H GLU 91 lone 1 97 - 1 - HD2 LYS 39 - H GLU 91 lone 1 70 - 1 - HD3 LYS 39 - H GLU 91 lone 1 65 - 1 - HG LEU 74 - H GLU 91 lone 0 61 - 1 - Peak 570 from nnoeabs.peaks (1.64, 7.94, 119.03 ppm; 4.39 A): 1 out of 19 assignments used, quality = 0.86: * HG LEU 90 + H GLU 91 OK 86 100 - 86 - 3.0/568=32, 2.1/571=32...(9) HB3 LEU 64 - H GLU 91 poor 10 92 - 10 - 1.8/568=3, 4.2/566=2...(5) HG LEU 64 - H GLU 91 lone 9 100 - 9 - 7760=2, 3.0/568=2...(4) HB2 LEU 82 - H GLU 91 poor 7 65 - 11 - 9967/4.6=6, 1.8/569=2 HD3 LYS 65 - H GLU 91 lone 4 87 - 5 - 1594/4.6=1, 5779/3.6=1 HD2 LYS 65 - H GLU 91 lone 4 77 - 5 - 6.1/566=1, 1594/4.6=1 HG LEU 114 - H GLU 91 lone 3 87 - 3 - HG LEU 63 - H GLU 91 lone 2 61 - 4 - 3.7/2137=1 HD2 LYS 77 - H GLU 91 lone 2 77 - 2 - HD3 LYS 77 - H GLU 91 lone 1 73 - 2 - HB ILE 116 - H GLU 91 lone 1 94 - 1 - HB2 ARG 30 - H GLU 91 lone 1 77 - 2 - HD2 LYS 115 - H GLU 91 lone 1 70 - 2 - HG2 LYS 16 - H GLU 91 lone 1 87 - 1 - HG3 LYS 40 - H GLU 91 lone 1 61 - 2 - HB ILE 5 - H GLU 91 lone 1 97 - 1 - HD2 LYS 49 - H GLU 91 lone 1 81 - 1 - HD3 LYS 49 - H GLU 91 lone 1 81 - 1 - HB2 GLU 52 - H GLU 91 lone 1 70 - 1 - Peak 571 from nnoeabs.peaks (0.90, 7.94, 119.03 ppm; 4.32 A): 1 out of 7 assignments used, quality = 0.97: * QD1 LEU 90 + H GLU 91 OK 97 100 - 97 - 4.6=85, 5804/3.6=34...(9) QD2 LEU 38 - H GLU 91 lone 5 81 - 6 - 4.4/2138=1 QD1 LEU 70 - H GLU 91 lone 4 100 - 4 - QD2 LEU 70 - H GLU 91 lone 3 100 - 3 - QG2 VAL 104 - H GLU 91 lone 3 61 - 4 - 10161/10159=1 QG2 VAL 29 - H GLU 91 lone 2 97 - 2 - HG13 ILE 54 - H GLU 91 lone 1 96 - 1 - Peak 572 from nnoeabs.peaks (0.88, 7.94, 119.03 ppm; 4.32 A): 1 out of 8 assignments used, quality = 0.97: * QD2 LEU 90 + H GLU 91 OK 97 100 - 97 - 4.6=85, 5811/3.6=32...(7) QG2 VAL 107 - H GLU 91 OK 12 81 - 15 - 10296/4.6=3, 5781/3.6=2...(6) QD2 LEU 38 - H GLU 91 lone 7 97 - 7 - 1596/4.6=1, 4.4/2138=1 QG2 VAL 104 - H GLU 91 lone 6 100 - 6 - 10161/10159=2, 5781/3.6=1 QG1 VAL 32 - H GLU 91 lone 5 77 - 6 - 2.1/568=1, 9300/4.0=1 QG2 VAL 117 - H GLU 91 lone 2 70 - 2 - QG2 THR 9 - H GLU 91 lone 2 61 - 3 - QG2 VAL 29 - H GLU 91 lone 1 81 - 2 - Peak 573 from nnoeabs.peaks (7.94, 8.09, 118.67 ppm; 3.67 A): 2 out of 5 assignments used, quality = 0.83: * H GLU 91 + H GLU 92 OK 80 100 - 80 - 4.6=51, 2.9/574=24...(12) H GLY 125 + H GLU 92 OK 13 94 - 14 - 4.6/2253=3, 3.0/574=2...(7) H GLY 101 - H GLU 92 lone 4 99 - 4 - HD21 ASN 33 - H GLU 92 lone 3 100 - 2 - H GLY 75 - H GLU 92 lone 1 77 - 1 - Peak 574 from nnoeabs.peaks (4.07, 8.09, 118.67 ppm; 3.41 A): 1 out of 8 assignments used, quality = 0.94: * HA GLU 91 + H GLU 92 OK 94 100 - 94 - 3.6=87, 2.9/573=20...(10) HA GLU 69 - H GLU 92 poor 10 65 - 15 - 8092/4.0=2, ~8133=2...(6) HA3 GLY 125 - H GLU 92 lone 8 92 - 9 - 3.0/573=3, 3.6/2253=2 HA LYS 96 - H GLU 92 lone 5 96 - 6 - 8225/4.6=1 HA GLU 37 - H GLU 92 lone 2 81 - 2 - HA LYS 44 - H GLU 92 lone 1 87 - 2 - HA LYS 43 - H GLU 92 lone 1 77 - 1 - HA LYS 20 - H GLU 92 lone 0 81 - 1 - Peak 575 from nnoeabs.peaks (2.13, 8.09, 118.67 ppm; 3.07 A): 4 out of 11 assignments used, quality = 0.86: * HB2 GLU 91 + H GLU 92 OK 64 100 - 64 - 4.6=29, 3.0/574=16...(12) HB3 GLU 92 + H GLU 92 OK 49 65 - 74 - 4.0=45, 1.8/5853=16...(20) HB2 GLU 119 + H GLU 92 OK 16 96 - 16 - 7764=4, 1.8/5859=3...(4) HB3 GLU 119 + H GLU 92 OK 14 90 - 16 - 7764=3, 1.8/7764=3, 3.0/576=2 HB VAL 107 - H GLU 92 lone 7 94 - 7 - 2.1/10296=4, 4.4/2146=1 HB3 GLU 47 - H GLU 92 lone 2 77 - 3 - 8093/3.6=1 HB2 LEU 38 - H GLU 92 lone 2 90 - 2 - HG3 GLN 83 - H GLU 92 lone 1 96 - 1 - HB2 GLU 21 - H GLU 92 lone 1 94 - 1 - HG2 GLU 41 - H GLU 92 lone 0 96 - 0 - HG2 GLU 21 - H GLU 92 lone 0 61 - 1 - Peak 576 from nnoeabs.peaks (2.07, 8.09, 118.67 ppm; 3.07 A): 5 out of 13 assignments used, quality = 0.89: * HB3 GLU 91 + H GLU 92 OK 63 100 - 63 - 4.6=29, 5830/3.6=17...(9) HB2 GLU 92 + H GLU 92 OK 56 73 - 76 - 4.0=45, 1.8/1606=15...(23) HB2 GLU 13 + H GLU 92 OK 14 99 - 14 - 7765=3, 3.0/1607=2...(5) HB2 LYS 94 + H GLU 92 OK 12 100 - 13 - 8194/3.6=5, 3.9/2146=4 HG2 GLU 119 + H GLU 92 OK 12 97 - 13 - 3.0/7764=2, 3.0/5859=2...(5) HB2 GLU 103 - H GLU 92 lone 4 65 - 6 - 3.0/1607=1, 3.0/1608=1 HB3 PHE 79 - H GLU 92 lone 4 98 - 4 - 3.0/2145=2 HB2 GLU 47 - H GLU 92 lone 3 84 - 3 - 8091/3.6=1 HB3 GLU 98 - H GLU 92 lone 2 73 - 3 - HB3 GLU 112 - H GLU 92 lone 1 81 - 1 - HB2 GLU 112 - H GLU 92 lone 1 77 - 1 - HB3 MET 121 - H GLU 92 lone 1 96 - 1 - HB2 GLN 28 - H GLU 92 lone 1 97 - 1 - Peak 579 from nnoeabs.peaks (8.09, 8.10, 120.12 ppm; diagonal): 1 out of 1 assignment used, quality = 0.77: H PHE 93 + H PHE 93 OK 77 77 - 100 Reference assignment not found: H GLU 92 - H PHE 93 Peak 580 from nnoeabs.peaks (4.03, 8.10, 120.12 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 92 + H PHE 93 OK 100 100 - 100 - 3.6=100 Peak 581 from nnoeabs.peaks (2.05, 8.10, 120.12 ppm; 2.93 A): 4 out of 18 assignments used, quality = 0.72: * HB2 GLU 92 + H PHE 93 OK 54 100 - 54 - 4.6=25, 1.8/582=16...(7) HB3 GLU 89 + H PHE 93 OK 17 84 - 20 - 3.0/583=4, 3.0/584=4...(7) HB2 GLU 89 + H PHE 93 OK 17 84 - 20 - 3.0/583=4, 3.0/584=4...(7) HB3 GLU 91 + H PHE 93 OK 12 73 - 16 - 7765/4.6=4, 1.8/582=3...(6) HB2 LYS 94 - H PHE 93 poor 9 70 - 13 - 3.9/585=10 HB2 GLU 13 - H PHE 93 lone 4 90 - 5 - 3.0/583=1, 2613/3.6=1 HB3 GLU 98 - H PHE 93 lone 3 100 - 3 - HB2 GLU 66 - H PHE 93 lone 2 84 - 2 - HB3 GLN 100 - H PHE 93 lone 1 99 - 1 - HB3 GLU 87 - H PHE 93 lone 1 84 - 1 - HB2 GLU 47 - H PHE 93 lone 1 100 - 1 - HB3 GLN 85 - H PHE 93 lone 1 84 - 1 - HB3 GLU 48 - H PHE 93 lone 1 84 - 1 - HB2 GLU 48 - H PHE 93 lone 1 84 - 1 - HB VAL 117 - H PHE 93 lone 1 98 - 1 - HB3 MET 67 - H PHE 93 lone 0 99 - 0 - HG3 GLU 52 - H PHE 93 lone 0 94 - 0 - HB2 GLN 28 - H PHE 93 lone 0 94 - 0 - Peak 582 from nnoeabs.peaks (2.11, 8.10, 120.12 ppm; 3.09 A): 3 out of 16 assignments used, quality = 0.68: * HB3 GLU 92 + H PHE 93 OK 56 100 - 56 - 4.6=30, 1.8/581=16...(7) HB VAL 107 + H PHE 93 OK 19 94 - 20 - 2.1/10296=12...(4) HB2 GLU 91 + H PHE 93 OK 10 65 - 15 - 1.8/581=3, 7764/4.6=3...(6) HB3 GLU 119 - H PHE 93 lone 6 97 - 6 - 7770=2, 5859/4.6=1, 1.8/7770=1 HB2 GLU 119 - H PHE 93 lone 5 92 - 5 - 7770=1, 1.8/7770=1, 5859/4.6=1 HG3 GLN 83 - H PHE 93 lone 2 92 - 2 - HB3 GLU 66 - H PHE 93 lone 2 81 - 2 - HB3 GLU 69 - H PHE 93 lone 2 65 - 3 - 3.0/584=1 HB2 GLU 111 - H PHE 93 lone 2 96 - 2 - HB2 LEU 38 - H PHE 93 lone 1 97 - 1 - HB2 GLU 87 - H PHE 93 lone 1 84 - 1 - HB3 GLU 47 - H PHE 93 lone 1 100 - 1 - HG2 GLU 52 - H PHE 93 lone 1 97 - 1 - HG2 GLU 21 - H PHE 93 lone 0 100 - 0 - HG3 GLU 21 - H PHE 93 lone 0 100 - 0 - HB2 GLU 21 - H PHE 93 lone 0 94 - 0 - Peak 583 from nnoeabs.peaks (2.32, 8.10, 120.12 ppm; 4.32 A): 4 out of 5 assignments used, quality = 0.86: * HG2 GLU 92 + H PHE 93 OK 64 100 - 64 - 3.0/582=21, 3.0/581=18...(7) HG3 GLU 89 + H PHE 93 OK 47 99 - 48 - 1.8/584=12, 7771=7...(10) HG3 GLU 13 + H PHE 93 OK 15 98 - 16 - 1607/4.6=3, 5851/3.6=3...(6) HG3 GLU 103 + H PHE 93 OK 11 97 - 11 - 1.8/584=3, 1607/4.6=2...(5) HG3 GLU 48 - H PHE 93 lone 5 100 - 5 - Peak 584 from nnoeabs.peaks (2.27, 8.10, 120.12 ppm; 4.47 A): 4 out of 7 assignments used, quality = 0.87: * HG3 GLU 92 + H PHE 93 OK 67 100 - 67 - 3.0/582=22, 3.0/581=19...(8) HG2 GLU 89 + H PHE 93 OK 51 100 - 52 - 1.8/583=13, 1608/4.6=8...(10) HG2 GLU 103 + H PHE 93 OK 11 94 - 12 - 1.8/583=3, 5852/3.6=2...(5) HG2 GLU 69 + H PHE 93 OK 11 96 - 11 - 1608/4.6=3, 5852/3.6=2...(5) HG3 GLU 111 - H PHE 93 lone 7 99 - 7 - 1608/4.6=1, 5852/3.6=1, 7772=1 HB2 GLU 37 - H PHE 93 lone 3 99 - 3 - HB3 ASN 8 - H PHE 93 lone 1 96 - 1 - Peak 585 from nnoeabs.peaks (8.10, 8.61, 118.94 ppm; 3.32 A): 2 out of 6 assignments used, quality = 0.74: * H PHE 93 + H LYS 94 OK 67 100 - 67 - 4.6=37, 1611/4.3=18...(8) H GLU 92 + H LYS 94 OK 22 77 - 28 - 4.6/1936=11, 3.6/2154=7...(7) H SER 99 - H LYS 94 lone 3 99 - 3 - 2178/2154=1 H ALA 113 - H LYS 94 lone 1 77 - 2 - H VAL 117 - H LYS 94 lone 1 65 - 2 - H GLU 128 - H LYS 94 lone 1 61 - 1 - Peak 586 from nnoeabs.peaks (4.34, 8.61, 118.94 ppm; 5.25 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 93 + H LYS 94 OK 100 100 - 100 - 3.6=100 Peak 587 from nnoeabs.peaks (3.29, 8.61, 118.94 ppm; 3.98 A): 1 out of 1 assignment used, quality = 0.89: * HB2 PHE 93 + H LYS 94 OK 89 100 - 89 - 4.3=79, 1.8/588=27...(4) Peak 588 from nnoeabs.peaks (3.04, 8.61, 118.94 ppm; 3.66 A): 2 out of 4 assignments used, quality = 0.89: * HB3 PHE 93 + H LYS 94 OK 80 100 - 80 - 4.3=61, 1.8/587=32...(5) HE2 LYS 94 + H LYS 94 OK 43 70 - 62 - 3.8/1622=19, 6.9=15...(7) HB2 PHE 51 - H LYS 94 lone 1 94 - 1 - HB2 ASN 11 - H LYS 94 lone 1 94 - 1 - Peak 592 from nnoeabs.peaks (7.22, 8.61, 118.94 ppm; 4.65 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 93 + H LYS 94 OK 100 100 - 100 - 4.4=100 Peak 593 from nnoeabs.peaks (8.61, 8.16, 117.19 ppm; 3.55 A): 1 out of 8 assignments used, quality = 0.76: * H LYS 94 + H ARG 95 OK 76 100 - 76 - 4.5=49, 3.9/596=15...(10) H ALA 124 - H ARG 95 lone 5 99 - 5 - 3.6/8199=2, 2163/4.6=1 H ILE 71 - H ARG 95 lone 4 96 - 4 - H LEU 80 - H ARG 95 lone 3 99 - 3 - 5945/4.4=1 H GLN 85 - H ARG 95 lone 1 90 - 2 - H LYS 49 - H ARG 95 lone 1 100 - 1 - H THR 108 - H ARG 95 lone 1 100 - 1 - H ASP 12 - H ARG 95 lone 0 57 - 1 - Peak 594 from nnoeabs.peaks (3.62, 8.16, 117.19 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 94 + H ARG 95 OK 100 100 - 100 - 3.6=100 Peak 595 from nnoeabs.peaks (2.07, 8.16, 117.19 ppm; 3.53 A): 3 out of 14 assignments used, quality = 0.87: * HB2 LYS 94 + H ARG 95 OK 82 100 - 82 - 4.4=52, 1.8/596=25...(8) HB3 GLU 98 + H ARG 95 OK 16 70 - 24 - ~8219=10, ~8220=7...(4) HB2 GLU 92 + H ARG 95 OK 13 70 - 19 - 3.0/8199=8, 8180/3.0=5...(4) HB3 GLU 91 - H ARG 95 lone 9 100 - 9 - 3.0/8197=6, 1619/4.5=2 HB2 GLU 13 - H ARG 95 lone 4 98 - 4 - 3.0/2159=1 HB2 GLU 47 - H ARG 95 lone 3 81 - 4 - 4.0/2073=3 HG2 GLU 119 - H ARG 95 lone 3 98 - 3 - HB3 GLU 69 - H ARG 95 lone 1 61 - 2 - HB3 PHE 79 - H ARG 95 lone 1 99 - 1 - HB3 MET 121 - H ARG 95 lone 1 97 - 1 - HB3 GLU 112 - H ARG 95 lone 1 84 - 1 - HB2 GLU 112 - H ARG 95 lone 1 81 - 1 - HB2 GLN 28 - H ARG 95 lone 1 96 - 1 - HB2 GLU 103 - H ARG 95 lone 1 70 - 1 - Peak 596 from nnoeabs.peaks (1.74, 8.16, 117.19 ppm; 3.94 A): 1 out of 13 assignments used, quality = 0.91: * HB3 LYS 94 + H ARG 95 OK 91 100 - 91 - 4.4=72, 1.8/595=26...(8) HB3 LEU 82 - H ARG 95 lone 4 100 - 4 - 1620/4.5=4 HB3 LEU 90 - H ARG 95 lone 4 84 - 5 - 1620/4.5=3 HB2 LEU 68 - H ARG 95 lone 3 87 - 4 - 1.8/597=1 HD3 LYS 123 - H ARG 95 lone 3 84 - 4 - 4.6/8199=2 HB2 LEU 80 - H ARG 95 lone 2 65 - 2 - 1620/4.5=1 HB2 LEU 114 - H ARG 95 lone 1 100 - 1 - HG2 ARG 118 - H ARG 95 lone 1 98 - 1 - HG12 ILE 15 - H ARG 95 lone 1 94 - 1 - HB3 LYS 49 - H ARG 95 lone 1 57 - 1 - HG3 ARG 105 - H ARG 95 lone 1 70 - 1 - HB2 LYS 106 - H ARG 95 lone 0 61 - 1 - HG2 LYS 17 - H ARG 95 lone 0 57 - 1 - Peak 597 from nnoeabs.peaks (1.37, 8.16, 117.19 ppm; 4.70 A): 3 out of 7 assignments used, quality = 0.93: * HG2 LYS 94 + H ARG 95 OK 87 100 - 87 - 1.8/598=38, 3.0/596=32...(9) HG3 LYS 43 + H ARG 95 OK 25 100 - 25 - 4.9/2057=6, 3.9/8197=3...(10) HG2 LYS 40 + H ARG 95 OK 23 92 - 25 - 4.8/1938=7, 3678/4.6=6...(7) HB3 LEU 68 - H ARG 95 lone 6 87 - 7 - 1621/4.5=2, 5929/3.6=2...(4) HB3 LEU 81 - H ARG 95 lone 4 84 - 4 - 5929/3.6=2, 1621/4.5=2 HG LEU 14 - H ARG 95 lone 3 94 - 3 - 5929/3.6=1 HG2 LYS 77 - H ARG 95 lone 1 81 - 2 - Peak 598 from nnoeabs.peaks (1.32, 8.16, 117.19 ppm; 4.67 A): 1 out of 2 assignments used, quality = 0.86: * HG3 LYS 94 + H ARG 95 OK 86 100 - 86 - 5930/3.6=34, 3.0/596=31...(8) HB3 LEU 55 - H ARG 95 lone 4 100 - 4 - 5930/3.6=2, 1622/4.5=1 Peak 599 from nnoeabs.peaks (1.54, 8.16, 117.19 ppm; 5.21 A): 2 out of 6 assignments used, quality = 0.98: * HD2 LYS 94 + H ARG 95 OK 86 100 - 86 - 3.0/598=37, 3.6/596=32...(7) HD3 LYS 94 + H ARG 95 OK 86 100 - 86 - 3.0/598=37, 3.6/596=32...(7) QB ALA 46 - H ARG 95 OK 28 84 - 33 - 9453=12, 2.9/271=10...(5) HG2 LYS 65 - H ARG 95 lone 4 87 - 5 - 1623/4.5=2 HG LEU 38 - H ARG 95 lone 3 73 - 4 - ~11527=1 HG LEU 6 - H ARG 95 lone 1 70 - 1 - Peak 600 from nnoeabs.peaks (1.54, 8.16, 117.19 ppm; 5.21 A): 2 out of 6 assignments used, quality = 0.98: HD2 LYS 94 + H ARG 95 OK 86 100 - 86 - 3.0/598=37, 3.6/596=32...(7) * HD3 LYS 94 + H ARG 95 OK 86 100 - 86 - 3.0/598=37, 3.6/596=32...(7) QB ALA 46 - H ARG 95 OK 28 84 - 33 - 9453=12, 2.9/271=10...(5) HG2 LYS 65 - H ARG 95 lone 4 87 - 5 - 1623/4.5=2 HG LEU 38 - H ARG 95 lone 3 73 - 4 - ~11527=1 HG LEU 6 - H ARG 95 lone 1 70 - 1 - Peak 603 from nnoeabs.peaks (8.16, 7.79, 119.58 ppm; 3.80 A): 2 out of 2 assignments used, quality = 0.89: * H ARG 95 + H LYS 96 OK 82 100 - 82 - 4.6=55, 1630/4.6=15...(17) H LEU 45 + H LYS 96 OK 37 100 - 37 - 6023/4.6=7, 6031/4.6=6...(13) Peak 604 from nnoeabs.peaks (4.15, 7.79, 119.58 ppm; 4.78 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 95 + H LYS 96 OK 100 100 - 100 - 3.6=100 Peak 605 from nnoeabs.peaks (1.90, 7.79, 119.58 ppm; 3.38 A): 2 out of 21 assignments used, quality = 0.95: HB2 LYS 96 + H LYS 96 OK 85 99 - 86 - 4.1=58, 1.8/6091=24...(21) * HB2 ARG 95 + H LYS 96 OK 68 100 - 68 - 4.6=40, 1.8/606=16...(11) HB3 LYS 44 - H LYS 96 OK 39 94 - 42 - 6081=6, 2.9/1640=6...(18) HB2 LYS 44 - H LYS 96 OK 33 81 - 42 - 2.9/1640=6, 2.9/6101=5...(18) HB2 LEU 45 - H LYS 96 OK 13 97 - 14 - 4.0/603=5, 3997/4.6=5 HG LEU 45 - H LYS 96 OK 13 77 - 17 - 4012/3.6=4, 5.0/603=4...(5) HB3 LYS 43 - H LYS 96 lone 9 99 - 9 - 6081=1 HB3 LYS 20 - H LYS 96 lone 8 97 - 9 - HB2 LYS 20 - H LYS 96 lone 8 97 - 9 - HB2 LYS 43 - H LYS 96 lone 8 92 - 9 - 6081=1 HB2 LYS 73 - H LYS 96 lone 7 100 - 7 - HB3 LYS 73 - H LYS 96 lone 7 100 - 7 - HB3 LYS 123 - H LYS 96 lone 6 70 - 8 - 2.9/1640=1, 1.8/3668=1 HB2 GLU 128 - H LYS 96 lone 5 99 - 5 - ~8329=1, 7789=1 HB ILE 71 - H LYS 96 lone 2 100 - 2 - HB3 LYS 16 - H LYS 96 lone 1 73 - 2 - HB2 LYS 16 - H LYS 96 lone 1 70 - 2 - HB2 LYS 49 - H LYS 96 lone 1 100 - 1 - QE MET 67 - H LYS 96 lone 1 70 - 1 - HB ILE 7 - H LYS 96 lone 1 99 - 1 - HB ILE 15 - H LYS 96 lone 0 65 - 0 - Peak 606 from nnoeabs.peaks (1.97, 7.79, 119.58 ppm; 3.28 A): 2 out of 8 assignments used, quality = 0.93: HB3 LYS 96 + H LYS 96 OK 81 100 - 81 - 4.1=53, 2.9/1640=10...(26) * HB3 ARG 95 + H LYS 96 OK 66 100 - 66 - 4.6=36, 3.9/1938=12...(11) HB3 GLU 128 - H LYS 96 lone 3 73 - 3 - 8329/2.9=1 HB VAL 22 - H LYS 96 lone 1 81 - 1 - HB3 GLU 21 - H LYS 96 lone 0 100 - 0 - HB3 GLU 103 - H LYS 96 lone 0 70 - 1 - HB VAL 29 - H LYS 96 lone 0 70 - 1 - HB3 GLU 52 - H LYS 96 lone 0 65 - 0 - Peak 607 from nnoeabs.peaks (1.88, 7.79, 119.58 ppm; 3.52 A): 2 out of 15 assignments used, quality = 0.70: * HG2 ARG 95 + H LYS 96 OK 61 100 - 61 - 6019/3.6=13, 3.0/606=13...(15) HG LEU 45 + H LYS 96 OK 23 98 - 24 - 4012/3.6=6, 4011/4.6=6...(5) HB3 LYS 20 - H LYS 96 lone 6 81 - 8 - HB2 LYS 20 - H LYS 96 lone 6 81 - 8 - HB2 LEU 63 - H LYS 96 lone 6 99 - 6 - 10960/4.5=1, 10960/1939=1 HB3 LYS 73 - H LYS 96 lone 4 65 - 6 - HB2 LYS 73 - H LYS 96 lone 4 61 - 6 - QE MET 42 - H LYS 96 lone 4 92 - 4 - HB2 LYS 16 - H LYS 96 lone 3 99 - 3 - HB3 LYS 16 - H LYS 96 lone 3 99 - 3 - QE MET 67 - H LYS 96 lone 3 99 - 3 - HG LEU 127 - H LYS 96 lone 1 65 - 2 - HB3 ARG 118 - H LYS 96 lone 1 99 - 1 - HB ILE 7 - H LYS 96 lone 1 73 - 1 - HB2 ARG 105 - H LYS 96 lone 0 61 - 1 - Peak 608 from nnoeabs.peaks (1.68, 7.79, 119.58 ppm; 4.55 A): 3 out of 20 assignments used, quality = 1.00: HD2 LYS 96 + H LYS 96 OK 92 99 - 93 - 5.7=51, 3.4/6091=25...(32) HD3 LYS 96 + H LYS 96 OK 91 97 - 93 - 5.7=51, 3.4/6091=25...(32) * HG3 ARG 95 + H LYS 96 OK 83 100 - 83 - 1.8/607=23, 7792=22...(16) HD3 LYS 40 - H LYS 96 OK 45 99 - 45 - 2.9/3688=11, 3.6/3658=11...(11) HD2 LYS 40 - H LYS 96 OK 44 98 - 45 - 2.9/3688=11, 3.6/3658=11...(11) HD2 LYS 43 - H LYS 96 OK 21 100 - 21 - 6121=2, 6097/4.1=2...(9) HD3 LYS 43 - H LYS 96 OK 20 96 - 21 - 6121=2, 6097/4.1=2...(9) HD3 LYS 20 - H LYS 96 OK 19 90 - 22 - 3.4/607=2, 3.4/607=2...(11) HD3 LYS 73 - H LYS 96 OK 19 96 - 20 - 6097/4.1=2, 6077/2.9=2...(11) HD2 LYS 73 - H LYS 96 OK 19 94 - 20 - 6097/4.1=2, 6077/2.9=2...(11) HD2 LYS 20 - H LYS 96 OK 19 87 - 21 - 3.4/607=2, 3.4/607=2...(10) HD2 LYS 16 - H LYS 96 lone 8 92 - 9 - HD3 LYS 16 - H LYS 96 lone 7 84 - 8 - HD2 LYS 17 - H LYS 96 lone 3 99 - 3 - HG12 ILE 71 - H LYS 96 lone 3 65 - 4 - 4.6/2163=2 HD3 LYS 115 - H LYS 96 lone 2 73 - 3 - HD2 LYS 115 - H LYS 96 lone 2 61 - 3 - HB ILE 56 - H LYS 96 lone 2 84 - 2 - HB ILE 54 - H LYS 96 lone 1 98 - 2 - HB2 GLU 52 - H LYS 96 lone 1 61 - 1 - Peak 611 from nnoeabs.peaks (7.79, 7.83, 118.55 ppm; 2.83 A): 4 out of 6 assignments used, quality = 0.88: * H LYS 96 + H ILE 97 OK 49 100 - 49 - 1939=24, 2.9/7795=9...(7) H LYS 40 + H LYS 39 OK 46 86 - 53 - 218=28, 7474/4.0=6...(11) H LYS 40 + H ILE 97 OK 37 97 - 38 - 218=18, 2040/3.6=7...(9) H LYS 96 + H LYS 39 OK 34 92 - 37 - 1939=16, 4.1/7797=4...(11) H GLU 66 - H LYS 39 lone 2 58 - 3 - 9696/4.8=2 H GLU 66 - H ILE 97 lone 2 70 - 2 - Peak 612 from nnoeabs.peaks (4.07, 7.83, 118.55 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 96 + H ILE 97 OK 100 100 - 100 - 3.6=100 Peak 613 from nnoeabs.peaks (1.90, 7.83, 118.55 ppm; 3.48 A): 7 out of 40 assignments used, quality = 0.93: * HB2 LYS 96 + H ILE 97 OK 73 100 - 73 - 4.6=43, 1.8/7797=21...(9) HB2 LYS 96 + H LYS 39 OK 38 92 - 42 - 1.8/7797=13, 4.1/1939=8...(9) HB2 ARG 95 + H ILE 97 OK 19 99 - 19 - 4.6/1939=10, 8327/3.6=4...(4) HB3 LYS 44 + H ILE 97 OK 18 99 - 19 - 6073/3.6=3, 7796=3...(9) HB2 LYS 44 + H ILE 97 OK 16 92 - 18 - 6073/3.6=3, 7796=3...(9) HB2 ARG 95 + H LYS 39 OK 13 90 - 14 - 4.6/1939=6, 7789/4.7=3 HB3 LYS 44 + H LYS 39 OK 11 89 - 12 - 7796=2, 2.9/7798=2...(6) HB2 LYS 44 - H LYS 39 poor 10 80 - 12 - 2.9/7798=2, 7796=2...(6) HB3 LYS 43 - H ILE 97 lone 6 100 - 6 - 7796=1 HB2 LYS 43 - H ILE 97 lone 6 98 - 6 - HB ILE 71 - H ILE 97 lone 6 99 - 6 - 11643/4.7=2, ~9783=2 HB3 LYS 43 - H LYS 39 lone 5 92 - 6 - 7796=1 HB2 LYS 43 - H LYS 39 lone 5 88 - 6 - HB2 LYS 73 - H ILE 97 lone 5 98 - 5 - HB3 LYS 73 - H ILE 97 lone 5 97 - 5 - HB3 LYS 20 - H ILE 97 lone 4 90 - 5 - HB2 LYS 20 - H ILE 97 lone 4 90 - 5 - HB2 LYS 20 - H LYS 39 lone 4 77 - 5 - HB3 LYS 20 - H LYS 39 lone 4 77 - 5 - HB ILE 7 - H LYS 39 lone 4 82 - 4 - 11230/3.6=1 HB2 LYS 73 - H LYS 39 lone 3 88 - 4 - HB3 LYS 73 - H LYS 39 lone 3 86 - 4 - HB2 GLU 128 - H ILE 97 lone 3 100 - 3 - HB3 LYS 123 - H ILE 97 lone 2 84 - 3 - HB3 LYS 123 - H LYS 39 lone 2 72 - 3 - HB2 LEU 45 - H ILE 97 lone 2 100 - 2 - HB2 GLU 128 - H LYS 39 lone 2 92 - 2 - HB2 LEU 45 - H LYS 39 lone 1 91 - 2 - HB ILE 7 - H ILE 97 lone 1 94 - 1 - HB ILE 71 - H LYS 39 lone 1 89 - 1 - HG LEU 45 - H LYS 39 lone 1 51 - 3 - HG LEU 45 - H ILE 97 lone 1 61 - 2 - HB2 LYS 49 - H LYS 39 lone 1 91 - 1 - HB2 LYS 49 - H ILE 97 lone 1 100 - 1 - HB2 LEU 81 - H LYS 39 lone 1 55 - 1 - HG2 MET 121 - H ILE 97 lone 0 73 - 1 - HB2 LEU 81 - H ILE 97 lone 0 65 - 1 - HB ILE 15 - H ILE 97 lone 0 81 - 0 - HB ILE 15 - H LYS 39 lone 0 68 - 0 - HG2 MET 121 - H LYS 39 lone 0 62 - 0 - Peak 614 from nnoeabs.peaks (1.97, 7.83, 118.55 ppm; 3.30 A): 4 out of 18 assignments used, quality = 0.83: * HB3 LYS 96 + H ILE 97 OK 65 100 - 65 - 4.6=36, 3.0/7795=13...(11) HB3 LYS 96 + H LYS 39 OK 38 92 - 42 - 7797=16, 4.1/1939=7...(9) HB3 ARG 95 + H ILE 97 OK 13 100 - 13 - 4.6/1939=9, 1.8/613=2, 3.0/617=1 HB2 LYS 40 + H ILE 97 OK 10 61 - 17 - 4.0/218=8, 8044/3.6=5 HB3 ARG 95 - H LYS 39 poor 10 92 - 11 - 4.6/1939=6, 7790/4.7=3 HB2 LYS 40 - H LYS 39 poor 8 51 - 17 - 4.0/218=12, ~3560=1 HB3 GLU 103 - H ILE 97 lone 2 73 - 3 - 4.7/1940=1, 3.0/2035=1 HB3 GLU 128 - H ILE 97 lone 2 70 - 2 - HB3 GLU 103 - H LYS 39 lone 2 62 - 3 - 3.0/2035=2 HB VAL 29 - H LYS 39 lone 1 55 - 2 - HB3 GLU 21 - H ILE 97 lone 1 100 - 1 - HB3 GLU 21 - H LYS 39 lone 1 91 - 1 - HB3 GLU 128 - H LYS 39 lone 1 58 - 1 - HB VAL 22 - H ILE 97 lone 1 84 - 1 - HB VAL 29 - H ILE 97 lone 0 65 - 1 - HB3 GLU 52 - H ILE 97 lone 0 61 - 1 - HB VAL 22 - H LYS 39 lone 0 72 - 0 - HB3 GLU 52 - H LYS 39 lone 0 51 - 0 - Peak 615 from nnoeabs.peaks (1.44, 7.83, 118.55 ppm; 3.95 A): 3 out of 32 assignments used, quality = 0.94: * HG2 LYS 96 + H ILE 97 OK 79 100 - 79 - 5.0=50, 2.9/7797=20...(11) HG2 LYS 39 + H LYS 39 OK 51 58 - 88 - 4.9=52, 1.8/3598=22...(18) HG2 LYS 96 + H LYS 39 OK 42 92 - 46 - 2.9/7797=12, 7798=7...(10) HG3 LYS 44 - H ILE 97 OK 28 100 - 28 - 6075/3.6=8, 1639/4.5=5...(9) HG2 LYS 39 - H ILE 97 OK 25 70 - 37 - 1.8/3598=9, 3588=7...(11) HB3 LEU 63 - H LYS 39 OK 24 68 - 36 - 3.1/10958=11...(5) HG3 LYS 44 - H LYS 39 OK 21 91 - 23 - 7798=4, 1.8/7799=2...(11) HG LEU 80 - H ILE 97 OK 17 100 - 17 - 11495/4.8=6, 11090/4.8=5...(4) HB3 LEU 63 - H ILE 97 lone 8 81 - 10 - 3.1/10958=2, 1.8/10960=2...(4) HG LEU 80 - H LYS 39 lone 6 92 - 7 - 11089/4.8=2, 11090/4.8=1 HB3 LEU 6 - H LYS 39 lone 4 55 - 7 - 3.1/10959=2, 3.0/215=2 HB3 LEU 4 - H ILE 97 lone 3 100 - 3 - HB2 LEU 4 - H ILE 97 lone 3 100 - 3 - HG12 ILE 56 - H ILE 97 lone 3 84 - 3 - HG3 LYS 17 - H ILE 97 lone 2 90 - 3 - HG12 ILE 56 - H LYS 39 lone 2 72 - 3 - 1.8/217=1 HG12 ILE 7 - H LYS 39 lone 2 51 - 3 - HG LEU 4 - H ILE 97 lone 1 90 - 2 - HG3 ARG 30 - H ILE 97 lone 1 87 - 2 - HB3 LEU 6 - H ILE 97 lone 1 65 - 2 - HB3 LYS 61 - H ILE 97 lone 1 96 - 1 - HB2 LEU 4 - H LYS 39 lone 1 91 - 1 - HB3 LEU 4 - H LYS 39 lone 1 91 - 1 - HG LEU 4 - H LYS 39 lone 1 77 - 1 - HG3 LYS 17 - H LYS 39 lone 1 77 - 1 - HG3 ARG 30 - H LYS 39 lone 1 75 - 1 - HG12 ILE 7 - H ILE 97 lone 1 61 - 2 - HB3 LYS 61 - H LYS 39 lone 1 84 - 1 - HG3 LYS 49 - H ILE 97 lone 1 65 - 1 - HG2 LYS 49 - H ILE 97 lone 1 65 - 1 - HG2 LYS 49 - H LYS 39 lone 1 55 - 1 - HG3 LYS 49 - H LYS 39 lone 1 55 - 1 - Peak 616 from nnoeabs.peaks (1.57, 7.83, 118.55 ppm; 5.55 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 96 + H ILE 97 OK 100 100 - 100 - 5.0=100 Peak 617 from nnoeabs.peaks (1.68, 7.83, 118.55 ppm; 3.59 A): 5 out of 38 assignments used, quality = 0.92: * HD2 LYS 96 + H ILE 97 OK 48 100 - 48 - 3.4/7797=14, 3.0/7799=8...(8) HD3 LYS 96 + H ILE 97 OK 48 100 - 48 - 3.4/7797=14, 3.0/7799=8...(8) HG3 LYS 39 + H LYS 39 OK 42 55 - 77 - 4.9=39, 1.8/3588=17...(18) HD2 LYS 96 + H LYS 39 OK 30 92 - 33 - 3.4/7797=9, 3.0/7798=4...(9) HD3 LYS 96 + H LYS 39 OK 30 91 - 33 - 3.4/7797=9, 3.0/7798=4...(9) HG3 LYS 39 - H ILE 97 OK 19 65 - 29 - 1.8/3588=8, 3598=5...(9) HG3 ARG 95 - H ILE 97 OK 18 99 - 18 - 7792/4.5=7, 6077/3.6=3...(6) HD3 LYS 40 - H LYS 39 OK 14 92 - 15 - 6.2/218=6, 3.6/614=1...(4) HD2 LYS 40 - H LYS 39 OK 14 92 - 15 - 6.2/218=6, 3.6/614=1...(4) HD3 LYS 40 - H ILE 97 OK 12 100 - 12 - 6.2/218=4, 6077/3.6=2...(5) HD2 LYS 40 - H ILE 97 OK 12 100 - 12 - 6.2/218=4, 6077/3.6=2...(5) HG3 ARG 95 - H LYS 39 lone 9 89 - 10 - 7792/4.7=4, 3.0/614=2...(4) HD2 LYS 43 - H ILE 97 lone 8 100 - 8 - HD3 LYS 43 - H ILE 97 lone 8 100 - 8 - HD3 LYS 73 - H ILE 97 lone 8 100 - 8 - 6077/3.6=1, 6097/4.6=1 HD2 LYS 73 - H ILE 97 lone 8 99 - 8 - 6077/3.6=1, 6097/4.6=1 HD3 LYS 20 - H ILE 97 lone 8 98 - 8 - 6077/3.6=1 HD2 LYS 20 - H ILE 97 lone 8 97 - 8 - 6077/3.6=1 HD3 LYS 43 - H LYS 39 lone 7 91 - 8 - HD2 LYS 43 - H LYS 39 lone 7 91 - 8 - HD2 LYS 16 - H LYS 39 lone 6 89 - 6 - 1256/4.7=1 HD3 LYS 20 - H LYS 39 lone 6 88 - 6 - HD2 LYS 20 - H LYS 39 lone 5 86 - 6 - HD3 LYS 16 - H LYS 39 lone 5 84 - 6 - 1256/4.7=1 HG12 ILE 71 - H ILE 97 lone 4 84 - 5 - ~9783=3 HD3 LYS 73 - H LYS 39 lone 4 91 - 5 - HD2 LYS 73 - H LYS 39 lone 4 90 - 5 - HD2 LYS 16 - H ILE 97 lone 2 99 - 2 - HD3 LYS 16 - H ILE 97 lone 2 96 - 2 - HG3 LYS 123 - H ILE 97 lone 2 65 - 3 - HD2 LYS 17 - H ILE 97 lone 2 100 - 2 - HG3 LYS 123 - H LYS 39 lone 2 55 - 3 - HB ILE 56 - H LYS 39 lone 1 84 - 2 - HD2 LYS 17 - H LYS 39 lone 1 92 - 1 - HB ILE 56 - H ILE 97 lone 1 96 - 1 - HB ILE 54 - H ILE 97 lone 1 100 - 1 - HB ILE 54 - H LYS 39 lone 1 92 - 1 - HG12 ILE 71 - H LYS 39 lone 1 72 - 1 - Peak 618 from nnoeabs.peaks (1.68, 7.83, 118.55 ppm; 3.59 A): 5 out of 40 assignments used, quality = 0.93: HG3 LYS 39 + H LYS 39 OK 48 62 - 78 - 4.9=39, 1.8/3588=17...(18) * HD3 LYS 96 + H ILE 97 OK 48 100 - 48 - 3.4/7797=14, 3.0/7799=8...(8) HD2 LYS 96 + H ILE 97 OK 48 100 - 48 - 3.4/7797=14, 3.0/7799=8...(8) HD3 LYS 96 + H LYS 39 OK 31 92 - 33 - 3.4/7797=9, 3.0/7798=4...(9) HD2 LYS 96 + H LYS 39 OK 30 91 - 33 - 3.4/7797=9, 3.0/7798=4...(9) HG3 LYS 39 - H ILE 97 OK 22 73 - 31 - 1.8/3588=8, 3598=6...(9) HG3 ARG 95 - H ILE 97 OK 18 97 - 18 - 7792/4.5=6, 6077/3.6=3...(6) HD2 LYS 40 - H LYS 39 OK 14 92 - 15 - 6.2/218=6, 3.6/614=1...(4) HD3 LYS 40 - H LYS 39 OK 14 91 - 15 - 6.2/218=6, 3.6/614=1...(4) HD3 LYS 40 - H ILE 97 OK 12 100 - 12 - 6.2/218=4, 6077/3.6=2...(5) HD2 LYS 40 - H ILE 97 OK 12 100 - 12 - 6.2/218=4, 6077/3.6=2...(5) HD2 LYS 44 - H ILE 97 OK 11 65 - 17 - 2.9/7798=3, 3951/3.6=2...(9) HD2 LYS 44 - H LYS 39 poor 10 55 - 18 - 2.9/7798=2, 1.8/3618=2...(9) HG3 ARG 95 - H LYS 39 lone 8 86 - 10 - 7792/4.7=4, 3.0/614=2...(4) HD2 LYS 43 - H ILE 97 lone 8 99 - 8 - HD3 LYS 43 - H ILE 97 lone 8 100 - 8 - HD3 LYS 20 - H ILE 97 lone 8 99 - 8 - 6077/3.6=1 HD3 LYS 73 - H ILE 97 lone 8 100 - 8 - 6077/3.6=1, 6097/4.6=1 HD2 LYS 73 - H ILE 97 lone 8 100 - 8 - 6077/3.6=1, 6097/4.6=1 HD2 LYS 20 - H ILE 97 lone 8 99 - 8 - 6077/3.6=1 HD3 LYS 43 - H LYS 39 lone 7 92 - 8 - HD2 LYS 43 - H LYS 39 lone 7 90 - 8 - HD3 LYS 20 - H LYS 39 lone 6 90 - 6 - HD2 LYS 16 - H LYS 39 lone 6 91 - 6 - 1256/4.7=1 HD2 LYS 20 - H LYS 39 lone 6 89 - 6 - HD3 LYS 16 - H LYS 39 lone 5 88 - 6 - 1256/4.7=1 HG12 ILE 71 - H ILE 97 lone 5 90 - 5 - ~9783=3 HD3 LYS 73 - H LYS 39 lone 4 92 - 5 - HD2 LYS 73 - H LYS 39 lone 4 91 - 5 - HG3 LYS 123 - H ILE 97 lone 2 73 - 3 - HG3 LYS 123 - H LYS 39 lone 2 62 - 4 - HD2 LYS 16 - H ILE 97 lone 2 100 - 2 - HD3 LYS 16 - H ILE 97 lone 2 98 - 2 - HD2 LYS 17 - H ILE 97 lone 2 100 - 2 - HB ILE 56 - H LYS 39 lone 1 88 - 2 - HB ILE 56 - H ILE 97 lone 1 98 - 1 - HD2 LYS 17 - H LYS 39 lone 1 91 - 1 - HB ILE 54 - H ILE 97 lone 1 100 - 1 - HB ILE 54 - H LYS 39 lone 1 92 - 1 - HG12 ILE 71 - H LYS 39 lone 1 77 - 1 - Peak 621 from nnoeabs.peaks (7.83, 8.67, 121.98 ppm; 3.53 A): 2 out of 5 assignments used, quality = 0.78: * H ILE 97 + H GLU 98 OK 71 100 - 71 - 4.7=44, 3.9/623=16...(11) H LYS 39 + H GLU 98 OK 25 100 - 25 - 1940=10, 4.7/2173=4...(7) H VAL 78 - H GLU 98 lone 6 100 - 6 - 6168/4.4=2, 6196/627=1 H TYR 27 - H GLU 98 lone 2 81 - 2 - HE21 GLN 62 - H GLU 98 lone 1 73 - 1 - Peak 622 from nnoeabs.peaks (3.94, 8.67, 121.98 ppm; 4.53 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 97 + H GLU 98 OK 100 100 - 100 - 3.6=100 Peak 623 from nnoeabs.peaks (1.81, 8.67, 121.98 ppm; 3.92 A): 1 out of 10 assignments used, quality = 0.88: * HB ILE 97 + H GLU 98 OK 88 100 - 88 - 4.4=69, 3.9/621=17...(11) HB3 ARG 105 - H GLU 98 lone 6 96 - 6 - 11508/11510=2...(3) HG2 ARG 105 - H GLU 98 lone 5 100 - 5 - 11016/4.1=2, 11507/626=1 HB ILE 18 - H GLU 98 lone 1 84 - 1 - HB ILE 57 - H GLU 98 lone 1 77 - 1 - HB2 LEU 64 - H GLU 98 lone 1 61 - 2 - HB ILE 3 - H GLU 98 lone 1 100 - 1 - HG12 ILE 5 - H GLU 98 lone 1 100 - 1 - HB2 LEU 14 - H GLU 98 lone 1 77 - 1 - HB2 ARG 118 - H GLU 98 lone 1 94 - 1 - Peak 624 from nnoeabs.peaks (0.68, 8.67, 121.98 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 97 + H GLU 98 OK 100 100 - 100 - 4.1=100 Peak 625 from nnoeabs.peaks (1.00, 8.67, 121.98 ppm; 6.00 A): 1 out of 3 assignments used, quality = 0.94: * HG12 ILE 97 + H GLU 98 OK 94 100 - 94 - 2.9/623=41, 2.1/627=40...(10) QD1 LEU 127 - H GLU 98 lone 7 94 - 8 - 1649/4.7=2, 10653/2174=2 HG13 ILE 71 - H GLU 98 lone 2 61 - 4 - ~10162=1 Peak 626 from nnoeabs.peaks (0.93, 8.67, 121.98 ppm; 4.13 A): 2 out of 6 assignments used, quality = 0.94: QG1 VAL 104 + H GLU 98 OK 82 99 - 83 - 2.1/11510=21...(15) * HG13 ILE 97 + H GLU 98 OK 68 100 - 68 - 2.9/623=27, 2.1/627=16...(8) QD1 LEU 70 - H GLU 98 lone 4 61 - 7 - 9769/3.6=3, 1650/4.7=1 QD2 LEU 127 - H GLU 98 lone 3 98 - 3 - 2.1/625=1 HG3 LYS 53 - H GLU 98 lone 1 92 - 1 - HG13 ILE 54 - H GLU 98 lone 1 81 - 1 - Peak 627 from nnoeabs.peaks (0.36, 8.67, 121.98 ppm; 6.01 A): 1 out of 1 assignment used, quality = 0.97: * QD1 ILE 97 + H GLU 98 OK 97 100 - 97 - 6167/3.6=46, 3.2/623=40...(14) Peak 628 from nnoeabs.peaks (8.67, 8.10, 115.50 ppm; 3.84 A): 1 out of 2 assignments used, quality = 0.81: * H GLU 98 + H SER 99 OK 81 100 - 81 - 4.6=57, 1654/4.3=16...(8) H VAL 104 - H SER 99 lone 6 61 - 10 - 6227/4.9=2, 6209/4.3=2...(4) Peak 629 from nnoeabs.peaks (4.34, 8.10, 115.50 ppm; 3.30 A): 1 out of 1 assignment used, quality = 0.97: HA SER 99 + H SER 99 OK 97 97 - 100 - 2.9=100 Reference assignment not found: HA GLU 98 - H SER 99 Peak 630 from nnoeabs.peaks (2.18, 8.10, 115.50 ppm; 4.02 A): 1 out of 9 assignments used, quality = 0.91: * HB2 GLU 98 + H SER 99 OK 91 100 - 91 - 4.3=79, 4.0/628=23...(9) HG3 GLU 66 - H SER 99 lone 9 96 - 10 - 1.8/632=2, 1654/4.6=2...(5) HB3 GLU 37 - H SER 99 lone 9 99 - 9 - 3.0/2178=3, 1654/4.6=2...(4) HB2 GLN 85 - H SER 99 lone 8 98 - 8 - 1654/4.6=2, 6223/4.9=2...(4) HB3 GLU 13 - H SER 99 lone 3 61 - 5 - 1.8/631=1 HB3 GLN 62 - H SER 99 lone 1 87 - 1 - HB2 GLN 62 - H SER 99 lone 1 87 - 1 - HB2 MET 42 - H SER 99 lone 1 87 - 1 - HB3 MET 1 - H SER 99 lone 0 61 - 1 - Peak 631 from nnoeabs.peaks (2.05, 8.10, 115.50 ppm; 4.10 A): 1 out of 18 assignments used, quality = 0.95: * HB3 GLU 98 + H SER 99 OK 95 100 - 95 - 4.3=84, 1.8/630=29...(11) HB3 GLN 100 - H SER 99 OK 25 99 - 25 - 4.0/1942=18, 7812=3...(5) HB3 GLU 91 - H SER 99 OK 14 73 - 19 - 3.0/2178=6, 1.8/7764=3...(6) HB2 GLU 92 - H SER 99 lone 10 100 - 10 - 7769=2, 8180/2179=2 HB2 GLU 89 - H SER 99 poor 10 84 - 11 - 3.0/2179=4, 7812=1, 1.8/7812=1 HB3 GLU 89 - H SER 99 poor 10 84 - 11 - 3.0/2179=4, 7812=1, 1.8/7812=1 HB2 GLU 66 - H SER 99 poor 9 84 - 11 - 3.0/630=2, 3.0/632=2...(4) HB3 GLN 85 - H SER 99 lone 8 84 - 9 - 1.8/630=2, 6224/4.9=2...(5) HB3 MET 67 - H SER 99 lone 7 99 - 7 - 3.0/2176=2, 1665/4.6=1 HB2 GLU 13 - H SER 99 lone 6 90 - 7 - 3.0/632=1 HB2 LYS 94 - H SER 99 lone 4 70 - 6 - 1655/4.6=1 HB2 GLU 47 - H SER 99 lone 2 100 - 2 - HB VAL 117 - H SER 99 lone 1 98 - 1 - HB3 GLU 87 - H SER 99 lone 1 84 - 2 - HB2 GLN 28 - H SER 99 lone 1 94 - 1 - HG3 GLU 52 - H SER 99 lone 1 94 - 1 - HB3 GLU 48 - H SER 99 lone 1 84 - 1 - HB2 GLU 48 - H SER 99 lone 1 84 - 1 - Peak 632 from nnoeabs.peaks (2.38, 8.10, 115.50 ppm; 4.78 A): 1 out of 6 assignments used, quality = 0.98: * HG2 GLU 98 + H SER 99 OK 98 100 - 98 - 4.9=90, 3.0/630=29...(8) HG2 GLN 25 - H SER 99 OK 15 98 - 15 - 6207/3.6=8, 1656/4.6=5 HG2 GLU 66 - H SER 99 OK 10 81 - 13 - 1.8/630=4, 1656/4.6=2...(4) HG2 GLU 13 - H SER 99 lone 6 73 - 7 - 6207/3.6=1, 3.0/631=1 HG3 MET 67 - H SER 99 lone 4 65 - 6 - 3.7/2176=2, 3.0/631=1 HB3 TYR 27 - H SER 99 lone 4 99 - 4 - Peak 633 from nnoeabs.peaks (2.44, 8.10, 115.50 ppm; 5.00 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 98 + H SER 99 OK 100 100 - 100 - 4.9=100 Peak 634 from nnoeabs.peaks (8.10, 7.62, 119.30 ppm; 4.03 A): 2 out of 10 assignments used, quality = 0.80: * H SER 99 + H GLN 100 OK 76 100 - 76 - 4.6=66, 1660/4.5=11...(7) H ALA 113 + H LYS 115 OK 17 34 - 51 - 3.6/8244=16, 4.6/1957=12...(12) H ALA 113 - H GLN 100 lone 5 61 - 8 - 4.6/1957=2, 3.6/8244=2 H GLU 92 - H GLN 100 lone 5 90 - 5 - H SER 99 - H LYS 115 lone 4 67 - 5 - 1942=3 H PHE 93 - H GLN 100 lone 3 99 - 3 - H PHE 93 - H LYS 115 lone 1 65 - 2 - H GLU 128 - H GLN 100 lone 1 77 - 1 - H GLU 92 - H LYS 115 lone 1 54 - 2 - H GLU 128 - H LYS 115 lone 0 44 - 1 - Peak 635 from nnoeabs.peaks (4.34, 7.62, 119.30 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 99 + H GLN 100 OK 100 100 - 100 - 3.6=100 Peak 638 from nnoeabs.peaks (7.62, 7.95, 105.77 ppm; 3.37 A): 1 out of 11 assignments used, quality = 0.64: * H GLN 100 + H GLY 101 OK 64 100 - 64 - 4.7=38, 3.0/639=24...(7) H GLU 69 - H GLY 101 lone 4 99 - 4 - 1454/4.4=1 H LEU 64 - H GLY 101 lone 3 100 - 3 - 2083/2.9=1 H LYS 115 - H GLY 101 lone 2 98 - 2 - HE21 GLN 85 - H GLY 101 lone 2 100 - 2 - H ASP 34 - H GLY 101 lone 1 97 - 1 - HD21 ASN 50 - H GLY 101 lone 1 92 - 1 - H ALA 46 - H GLY 101 lone 1 81 - 1 - H LEU 74 - H GLY 101 lone 0 81 - 1 - HD21 ASN 10 - H GLY 101 lone 0 65 - 0 - H LYS 16 - H GLY 101 lone 0 61 - 0 - Peak 639 from nnoeabs.peaks (4.31, 7.95, 105.77 ppm; 3.57 A): 1 out of 4 assignments used, quality = 1.00: * HA GLN 100 + H GLY 101 OK 100 100 - 100 - 3.6=100 HB THR 9 - H GLY 101 lone 1 90 - 1 - HA LYS 73 - H GLY 101 lone 0 61 - 1 - HA LYS 49 - H GLY 101 lone 0 96 - 0 - Peak 641 from nnoeabs.peaks (2.05, 7.95, 105.77 ppm; 5.32 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 100 + H GLY 101 OK 100 100 - 100 - 4.4=100 Peak 642 from nnoeabs.peaks (2.44, 7.95, 105.77 ppm; 5.47 A): 2 out of 7 assignments used, quality = 0.82: * HG2 GLN 100 + H GLY 101 OK 76 100 - 76 - 6270/3.6=42, 4.9/638=31...(5) HG3 GLU 98 + H GLY 101 OK 24 99 - 24 - 4.1/10159=15, 1666/4.7=6...(4) HG3 GLU 69 - H GLY 101 lone 5 99 - 5 - 1666/4.7=2, 5.1/638=2 HG2 GLU 37 - H GLY 101 lone 4 100 - 4 - 1666/4.7=1 HG2 MET 1 - H GLY 101 lone 1 87 - 2 - HG3 GLU 119 - H GLY 101 lone 1 65 - 2 - HG3 GLU 41 - H GLY 101 lone 1 65 - 1 - Peak 643 from nnoeabs.peaks (2.35, 7.95, 105.77 ppm; 6.20 A): 1 out of 6 assignments used, quality = 0.85: * HG3 GLN 100 + H GLY 101 OK 85 100 - 85 - 4.1/639=46, 4.9/638=36...(5) HG2 GLN 83 - H GLY 101 lone 6 77 - 8 - 6250/3.6=3, 1667/4.7=2 HG3 GLU 112 - H GLY 101 lone 5 84 - 6 - 1667/4.7=2, 6250/3.6=1 HG2 GLU 112 - H GLY 101 lone 5 81 - 6 - 1667/4.7=2, 6250/3.6=1 HG2 GLU 13 - H GLY 101 lone 5 92 - 5 - 6250/3.6=1 HB3 PHE 120 - H GLY 101 lone 4 96 - 4 - Peak 646 from nnoeabs.peaks (7.95, 6.89, 117.99 ppm; 4.18 A): 1 out of 5 assignments used, quality = 0.74: * H GLY 101 + H TYR 102 OK 74 100 - 74 - 4.6=73, 10159/10166=3 H GLU 91 - H TYR 102 lone 2 99 - 2 - 10159/10166=1 HD21 ASN 33 - H TYR 102 lone 1 97 - 1 - H GLY 125 - H TYR 102 lone 1 99 - 1 - H LYS 53 - H TYR 102 lone 0 70 - 1 - Peak 647 from nnoeabs.peaks (3.72, 6.89, 117.99 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 101 + H TYR 102 OK 100 100 - 100 - 3.6=100 Peak 648 from nnoeabs.peaks (4.01, 6.89, 117.99 ppm; 5.81 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 101 + H TYR 102 OK 100 100 - 100 - 3.6=100 Peak 649 from nnoeabs.peaks (6.89, 8.32, 122.86 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 102 + H GLU 103 OK 100 100 - 100 - 4.7=100 Peak 650 from nnoeabs.peaks (4.67, 8.32, 122.86 ppm; 3.45 A): 1 out of 3 assignments used, quality = 0.94: * HA TYR 102 + H GLU 103 OK 94 100 - 94 - 3.6=90, 3.0/652=21, 4551/4.7=15 HA ASP 86 - H GLU 103 lone 1 84 - 2 - HA LYS 53 - H GLU 103 lone 0 70 - 1 - Peak 651 from nnoeabs.peaks (2.47, 8.32, 122.86 ppm; 4.91 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 102 + H GLU 103 OK 100 100 - 100 - 4.6=100 Peak 652 from nnoeabs.peaks (2.75, 8.32, 122.86 ppm; 4.02 A): 1 out of 5 assignments used, quality = 0.83: * HB3 TYR 102 + H GLU 103 OK 83 100 - 83 - 4.6=65, 3.0/650=34...(4) HG3 MET 42 - H GLU 103 lone 1 92 - 1 - HB3 ASN 11 - H GLU 103 lone 1 97 - 1 - HE2 LYS 2 - H GLU 103 lone 1 97 - 1 - HB2 ASP 60 - H GLU 103 lone 0 73 - 1 - Peak 656 from nnoeabs.peaks (6.98, 8.32, 122.86 ppm; 4.89 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 102 + H GLU 103 OK 100 100 - 100 - 4.7=100 Peak 657 from nnoeabs.peaks (8.32, 8.65, 124.34 ppm; 5.12 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 103 + H VAL 104 OK 100 100 - 100 - 4.7=100 Peak 658 from nnoeabs.peaks (4.51, 8.65, 124.34 ppm; 2.82 A): 1 out of 4 assignments used, quality = 0.70: * HA GLU 103 + H VAL 104 OK 70 100 - 70 - 3.6=49, 3.0/660=16...(9) HA ASP 84 - H VAL 104 lone 7 99 - 8 - 10026/3.9=2, 10242/3.9=2...(4) HA GLN 28 - H VAL 104 lone 4 96 - 5 - 9240/3.9=2, 10242/3.9=1 HA ASP 36 - H VAL 104 lone 1 87 - 1 - Peak 659 from nnoeabs.peaks (2.09, 8.65, 124.34 ppm; 4.56 A): 1 out of 15 assignments used, quality = 0.99: * HB2 GLU 103 + H VAL 104 OK 99 100 - 99 - 4.7=95, 1.8/660=45...(7) HB2 GLU 87 - H VAL 104 OK 17 97 - 17 - 5703=5, 10056/3.9=4...(6) HB2 LYS 94 - H VAL 104 OK 11 70 - 17 - ~10220=5, 10977/3.9=3...(5) HB3 PHE 79 - H VAL 104 lone 6 87 - 7 - 1683/4.7=3, 6365/662=1 HB2 GLU 112 - H VAL 104 lone 3 100 - 3 - HB3 GLU 66 - H VAL 104 lone 3 98 - 3 - 11062/3.9=1 HB3 GLU 112 - H VAL 104 lone 3 99 - 3 - HB2 GLU 111 - H VAL 104 lone 2 87 - 2 - HB3 GLU 69 - H VAL 104 lone 2 100 - 2 - HB3 MET 121 - H VAL 104 lone 2 92 - 2 - HG2 GLU 119 - H VAL 104 lone 1 90 - 2 - HG2 GLU 52 - H VAL 104 lone 1 84 - 1 - HB3 GLU 91 - H VAL 104 lone 1 65 - 1 - HG3 GLU 21 - H VAL 104 lone 1 70 - 1 - HG2 GLU 21 - H VAL 104 lone 1 61 - 1 - Peak 660 from nnoeabs.peaks (1.99, 8.65, 124.34 ppm; 3.58 A): 1 out of 7 assignments used, quality = 0.82: * HB3 GLU 103 + H VAL 104 OK 82 100 - 82 - 4.7=46, 3.0/7831=30...(7) HB2 LYS 40 - H VAL 104 lone 1 100 - 1 - HB3 ARG 95 - H VAL 104 lone 1 70 - 2 - 3.0/11702=2 HB3 LYS 96 - H VAL 104 lone 1 73 - 1 - HB2 LYS 17 - H VAL 104 lone 1 98 - 1 - HB3 GLU 21 - H VAL 104 lone 1 81 - 1 - HB VAL 22 - H VAL 104 lone 0 100 - 1 - Peak 661 from nnoeabs.peaks (2.26, 8.65, 124.34 ppm; 4.74 A): 1 out of 10 assignments used, quality = 0.87: * HG2 GLU 103 + H VAL 104 OK 87 100 - 87 - 3.0/660=40, 1.8/662=38...(5) HG2 GLU 89 - H VAL 104 lone 7 97 - 7 - 1.8/662=2, 7834=2, 5.2/2131=2 HG3 GLU 92 - H VAL 104 lone 3 94 - 4 - 1.8/662=1 HG2 GLN 28 - H VAL 104 lone 3 70 - 4 - 3.8/658=2 HG3 GLU 111 - H VAL 104 lone 2 84 - 2 - HB2 GLU 37 - H VAL 104 lone 1 84 - 1 - HG2 GLU 69 - H VAL 104 lone 1 70 - 1 - HB2 GLN 122 - H VAL 104 lone 1 77 - 1 - HB3 GLN 122 - H VAL 104 lone 1 77 - 1 - HB3 ASN 8 - H VAL 104 lone 1 70 - 1 - Peak 662 from nnoeabs.peaks (2.32, 8.65, 124.34 ppm; 4.31 A): 1 out of 8 assignments used, quality = 0.83: * HG3 GLU 103 + H VAL 104 OK 83 100 - 83 - 7835=36, 3.0/660=35...(5) HG3 GLU 89 - H VAL 104 lone 5 87 - 6 - 1.8/661=2, 7835=1, 5.2/2131=1 HG2 GLU 92 - H VAL 104 lone 3 97 - 3 - 1.8/661=1 HG2 GLU 112 - H VAL 104 lone 2 81 - 3 - HG3 GLU 112 - H VAL 104 lone 2 77 - 2 - HG3 GLU 48 - H VAL 104 lone 1 99 - 1 - HG3 GLU 13 - H VAL 104 lone 1 84 - 1 - HG2 GLN 83 - H VAL 104 lone 1 84 - 1 - Peak 664 from nnoeabs.peaks (5.23, 8.71, 124.86 ppm; 2.99 A): 1 out of 2 assignments used, quality = 0.76: * HA VAL 104 + H ARG 105 OK 76 100 - 76 - 3.6=59, 3.2/666=17...(8) HA ASP 31 - H ARG 105 lone 0 65 - 0 - Peak 665 from nnoeabs.peaks (1.95, 8.71, 124.86 ppm; 4.34 A): 1 out of 17 assignments used, quality = 0.99: * HB VAL 104 + H ARG 105 OK 99 100 - 99 - 4.4=96, 3.0/664=42...(10) HB3 LYS 115 - H ARG 105 OK 17 87 - 19 - 3.0/10269=8, 3.7/11596=4...(5) HB2 LYS 115 - H ARG 105 OK 12 65 - 19 - 3.0/10269=8, 3.7/11596=4...(5) HB3 MET 42 - H ARG 105 lone 5 99 - 5 - 9419/4.2=1 HB3 LYS 40 - H ARG 105 lone 4 100 - 4 - HB3 LYS 39 - H ARG 105 lone 4 100 - 4 - HB2 LYS 65 - H ARG 105 lone 4 87 - 4 - HB3 LYS 65 - H ARG 105 lone 4 84 - 4 - HB2 LYS 39 - H ARG 105 lone 4 87 - 4 - HB VAL 29 - H ARG 105 lone 3 97 - 3 - 2.1/667=1 HB3 GLU 41 - H ARG 105 lone 2 100 - 2 - HB2 GLU 41 - H ARG 105 lone 2 99 - 2 - HB2 LYS 123 - H ARG 105 lone 2 87 - 3 - HB2 LEU 70 - H ARG 105 lone 2 99 - 2 - HB2 LEU 127 - H ARG 105 lone 1 84 - 2 - HB3 GLU 128 - H ARG 105 lone 1 96 - 1 - HB3 GLU 52 - H ARG 105 lone 1 98 - 1 - Peak 666 from nnoeabs.peaks (0.93, 8.71, 124.86 ppm; 3.45 A): 1 out of 5 assignments used, quality = 0.86: * QG1 VAL 104 + H ARG 105 OK 86 100 - 86 - 4.2=54, 3.2/664=29...(13) HG13 ILE 97 - H ARG 105 lone 4 99 - 4 - 2.9/1696=2, 1690/4.7=2 HG3 LYS 53 - H ARG 105 lone 4 98 - 4 - 5.0/1948=2, 11244/4.1=1 HG13 ILE 54 - H ARG 105 lone 2 65 - 2 - 4.6/1948=2 QD2 LEU 127 - H ARG 105 lone 1 100 - 1 - Peak 667 from nnoeabs.peaks (0.88, 8.71, 124.86 ppm; 3.38 A): 2 out of 9 assignments used, quality = 0.87: * QG2 VAL 104 + H ARG 105 OK 85 100 - 85 - 4.2=51, 2.1/666=29...(14) QD2 LEU 90 + H ARG 105 OK 13 100 - 13 - 10279/4.6=4, 11100/3.0=2...(4) QG2 VAL 107 - H ARG 105 lone 5 73 - 7 - 10279/4.6=3, 10305/10685=2 QD2 LEU 38 - H ARG 105 lone 4 99 - 4 - QD1 LEU 90 - H ARG 105 lone 3 61 - 5 - ~11100=2, 9968/10247=2 QG2 VAL 29 - H ARG 105 lone 3 87 - 3 - QG1 VAL 32 - H ARG 105 lone 1 70 - 2 - QG2 VAL 117 - H ARG 105 lone 1 61 - 1 - QD2 LEU 70 - H ARG 105 lone 1 61 - 1 - Peak 668 from nnoeabs.peaks (8.71, 8.81, 121.50 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 105 + H LYS 106 OK 100 100 - 100 - 4.6=100 Peak 669 from nnoeabs.peaks (4.92, 8.81, 121.50 ppm; 3.10 A): 2 out of 3 assignments used, quality = 0.88: * HA ARG 105 + H LYS 106 OK 83 100 - 83 - 3.6=66, 3.0/670=17...(8) HA LEU 82 + H LYS 106 OK 29 99 - 29 - ~9974=7, ~10293=7...(6) HA ILE 57 - H LYS 106 lone 9 100 - 9 - 4.2/1704=2, 3.2/7583=2...(4) Peak 670 from nnoeabs.peaks (1.86, 8.81, 121.50 ppm; 3.76 A): 1 out of 10 assignments used, quality = 0.92: * HB2 ARG 105 + H LYS 106 OK 92 100 - 92 - 4.2=71, 3.0/7840=26...(8) QE MET 42 - H LYS 106 lone 3 94 - 4 - HB3 ARG 118 - H LYS 106 lone 2 81 - 3 - HD2 LYS 123 - H LYS 106 lone 2 81 - 2 - HB2 LEU 63 - H LYS 106 lone 2 81 - 2 - HG LEU 70 - H LYS 106 lone 1 94 - 1 - HG LEU 127 - H LYS 106 lone 1 100 - 1 - HB2 LYS 77 - H LYS 106 lone 0 81 - 1 - HB3 LYS 77 - H LYS 106 lone 0 73 - 1 - HG2 ARG 95 - H LYS 106 lone 0 61 - 1 - Peak 671 from nnoeabs.peaks (1.82, 8.81, 121.50 ppm; 3.78 A): 2 out of 11 assignments used, quality = 0.97: * HB3 ARG 105 + H LYS 106 OK 93 100 - 93 - 4.2=72, 1.8/670=33...(7) HG2 ARG 105 + H LYS 106 OK 63 90 - 71 - 3.0/670=26, 1.8/673=21...(6) HB ILE 57 - H LYS 106 OK 16 97 - 16 - 2.9/1704=4, 2.1/7583=3...(5) HB ILE 97 - H LYS 106 lone 4 96 - 4 - 1695/4.6=2, 2.1/10281=2 HB ILE 3 - H LYS 106 lone 2 92 - 2 - HB2 ARG 118 - H LYS 106 lone 2 70 - 3 - QE MET 121 - H LYS 106 lone 2 81 - 2 - HB2 LEU 14 - H LYS 106 lone 1 97 - 2 - HB ILE 18 - H LYS 106 lone 1 99 - 1 - HG12 ILE 5 - H LYS 106 lone 1 94 - 1 - HB3 LYS 19 - H LYS 106 lone 1 65 - 1 - Peak 672 from nnoeabs.peaks (1.80, 8.81, 121.50 ppm; 3.89 A): 2 out of 11 assignments used, quality = 0.96: HB3 ARG 105 + H LYS 106 OK 85 90 - 95 - 4.2=79, 1.8/670=35...(7) * HG2 ARG 105 + H LYS 106 OK 73 100 - 73 - 3.0/670=27, 1.8/673=22...(6) HB ILE 57 - H LYS 106 OK 11 65 - 17 - 2.9/1704=4, 2.1/7583=4...(5) HB ILE 97 - H LYS 106 lone 5 100 - 5 - 1696/4.6=2, 2.1/10281=2 HB2 ARG 118 - H LYS 106 lone 3 98 - 3 - HB ILE 3 - H LYS 106 lone 3 100 - 3 - 9003=1 HB2 LEU 64 - H LYS 106 lone 2 73 - 3 - HG12 ILE 5 - H LYS 106 lone 2 100 - 2 - HB2 LEU 14 - H LYS 106 lone 1 65 - 2 - HB ILE 18 - H LYS 106 lone 1 73 - 1 - HB2 LYS 19 - H LYS 106 lone 1 70 - 1 - Peak 673 from nnoeabs.peaks (1.75, 8.81, 121.50 ppm; 3.78 A): 3 out of 11 assignments used, quality = 0.83: * HG3 ARG 105 + H LYS 106 OK 74 100 - 74 - 3.0/670=26, 4.0/7840=19...(8) HB3 LEU 82 + H LYS 106 OK 27 73 - 36 - ~9975=11, 9976/3.0=10...(7) HB2 LEU 80 + H LYS 106 OK 13 100 - 13 - 1697/4.6=5, 3.1/10280=2...(5) HB2 LEU 114 - H LYS 106 lone 6 70 - 9 - 3.1/10281=4, 1.8/1705=3 HB2 LEU 55 - H LYS 106 lone 4 94 - 4 - 1697/4.6=1 HG12 ILE 18 - H LYS 106 lone 2 84 - 3 - 11710/10281=1 HD3 LYS 123 - H LYS 106 lone 2 99 - 2 - HB3 LYS 94 - H LYS 106 lone 2 70 - 2 - HG2 LYS 17 - H LYS 106 lone 2 100 - 2 - HB3 LYS 49 - H LYS 106 lone 1 100 - 1 - HB2 LEU 68 - H LYS 106 lone 1 99 - 1 - Peak 674 from nnoeabs.peaks (3.52, 8.81, 121.50 ppm; 5.70 A): 1 out of 1 assignment used, quality = 0.95: * HD2 ARG 105 + H LYS 106 OK 95 100 - 95 - 1.8/675=46, 3.8/670=40...(9) Peak 675 from nnoeabs.peaks (3.34, 8.81, 121.50 ppm; 4.88 A): 1 out of 2 assignments used, quality = 0.91: * HD3 ARG 105 + H LYS 106 OK 91 100 - 91 - 6396/3.6=36, 3.8/670=33...(9) HD2 ARG 30 - H LYS 106 lone 4 98 - 4 - Peak 677 from nnoeabs.peaks (5.58, 8.55, 118.79 ppm; 2.92 A): 1 out of 1 assignment used, quality = 0.75: * HA LYS 106 + H VAL 107 OK 75 100 - 75 - 3.6=55, 3.0/679=8...(11) Peak 678 from nnoeabs.peaks (1.72, 8.55, 118.79 ppm; 3.36 A): 3 out of 14 assignments used, quality = 0.94: * HB2 LYS 106 + H VAL 107 OK 74 100 - 74 - 4.6=38, 3.0/677=30...(10) HB3 LYS 106 + H VAL 107 OK 74 100 - 74 - 4.6=38, 3.0/677=30...(10) HB3 LEU 90 + H VAL 107 OK 16 98 - 16 - 3.1/11578=14, 1703/4.6=2 HD2 LYS 39 - H VAL 107 lone 2 90 - 2 - 3.0/680=1 HD3 LYS 39 - H VAL 107 lone 2 87 - 2 - 3.0/680=1 HB2 LEU 114 - H VAL 107 lone 1 61 - 2 - 1.8/681=2 HG3 LYS 39 - H VAL 107 lone 1 65 - 2 - 1.8/680=1 HG12 ILE 15 - H VAL 107 lone 1 92 - 1 - HB3 LYS 94 - H VAL 107 lone 1 61 - 2 - HG LEU 74 - H VAL 107 lone 0 84 - 1 - HG3 LYS 123 - H VAL 107 lone 0 65 - 1 - HG2 ARG 118 - H VAL 107 lone 0 84 - 0 - HD3 LYS 44 - H VAL 107 lone 0 81 - 0 - HD2 LYS 44 - H VAL 107 lone 0 73 - 0 - Peak 679 from nnoeabs.peaks (1.71, 8.55, 118.79 ppm; 3.36 A): 3 out of 12 assignments used, quality = 0.94: * HB3 LYS 106 + H VAL 107 OK 74 100 - 74 - 4.6=38, 3.0/677=30...(10) HB2 LYS 106 + H VAL 107 OK 74 100 - 74 - 4.6=38, 3.0/677=30...(10) HB3 LEU 90 + H VAL 107 OK 15 96 - 16 - 3.1/11578=14, 1703/4.6=2 HD2 LYS 39 - H VAL 107 lone 2 94 - 2 - 3.0/680=1 HD3 LYS 39 - H VAL 107 lone 2 92 - 2 - 3.0/680=1 HG3 LYS 39 - H VAL 107 lone 1 73 - 2 - 1.8/680=1 HG12 ILE 15 - H VAL 107 lone 1 87 - 1 - HG3 LYS 123 - H VAL 107 lone 0 73 - 1 - HG LEU 74 - H VAL 107 lone 0 90 - 1 - HD3 LYS 44 - H VAL 107 lone 0 87 - 0 - HD2 LYS 44 - H VAL 107 lone 0 81 - 0 - HG2 ARG 118 - H VAL 107 lone 0 77 - 0 - Peak 680 from nnoeabs.peaks (1.46, 8.55, 118.79 ppm; 4.28 A): 3 out of 14 assignments used, quality = 0.86: * HG2 LYS 106 + H VAL 107 OK 81 100 - 81 - 3.9/677=35, 1.8/681=23...(10) HG12 ILE 57 + H VAL 107 OK 14 100 - 14 - 7584/4.6=4...(6) HG12 ILE 7 + H VAL 107 OK 11 100 - 11 - 11388/11402=4...(3) HG2 LYS 39 - H VAL 107 lone 7 100 - 7 - 11039/4.0=2, 11038/4.0=1 HB3 LEU 38 - H VAL 107 lone 5 100 - 5 - 1.8/1712=1 HG LEU 80 - H VAL 107 lone 4 61 - 7 - 2.1/1714=2, 2.1/1714=1 HB3 LEU 6 - H VAL 107 lone 3 100 - 3 - HG3 ARG 30 - H VAL 107 lone 2 96 - 2 - HG LEU 4 - H VAL 107 lone 1 94 - 1 - HG2 LYS 49 - H VAL 107 lone 1 100 - 1 - HG3 LYS 49 - H VAL 107 lone 1 100 - 1 - HB2 LEU 74 - H VAL 107 lone 1 98 - 1 - HG3 LYS 20 - H VAL 107 lone 1 73 - 1 - HG3 LYS 73 - H VAL 107 lone 0 65 - 1 - Peak 681 from nnoeabs.peaks (1.40, 8.55, 118.79 ppm; 4.03 A): 3 out of 5 assignments used, quality = 0.87: * HG3 LYS 106 + H VAL 107 OK 77 100 - 77 - 3.9/677=31, 1.8/680=21...(9) QB ALA 113 + H VAL 107 OK 28 96 - 29 - 10898/4.0=13...(4) HB3 GLN 83 + H VAL 107 OK 23 65 - 36 - 3.0/9990=23, 10899/4.0=7...(5) HB3 LEU 114 - H VAL 107 lone 8 99 - 8 - 10898/4.0=5, 1705/4.6=2 HG3 LYS 16 - H VAL 107 lone 1 98 - 1 - Peak 687 from nnoeabs.peaks (4.62, 8.60, 114.07 ppm; 3.07 A): 1 out of 2 assignments used, quality = 0.79: * HA VAL 107 + H THR 108 OK 79 100 - 79 - 3.6=64, 3.2/689=12...(6) HA ASN 50 - H THR 108 lone 0 94 - 0 - Peak 688 from nnoeabs.peaks (2.12, 8.60, 114.07 ppm; 3.56 A): 2 out of 14 assignments used, quality = 0.90: * HB VAL 107 + H THR 108 OK 85 100 - 85 - 4.4=52, 3.0/687=31...(9) HG3 GLN 83 + H THR 108 OK 33 100 - 33 - 10001/2.9=12, ~10000=10...(7) HB3 GLU 92 - H THR 108 lone 6 94 - 7 - 4.6/1936=4, 4.0/2146=2 HB2 LEU 38 - H THR 108 lone 4 100 - 4 - 11525/4.2=1 HB2 GLU 21 - H THR 108 lone 4 100 - 4 - 11655/4.6=2 HB2 GLU 91 - H THR 108 lone 3 94 - 4 - 4.6/2146=2 HG2 GLU 21 - H THR 108 lone 3 92 - 3 - HB3 GLU 119 - H THR 108 lone 3 100 - 3 - 1712/4.5=2 HB2 GLU 119 - H THR 108 lone 3 100 - 3 - 1712/4.5=2 HG3 GLU 21 - H THR 108 lone 3 87 - 3 - HG2 GLU 41 - H THR 108 lone 1 70 - 1 - HB2 GLU 111 - H THR 108 lone 1 70 - 1 - HB3 GLU 47 - H THR 108 lone 1 98 - 1 - HG2 GLU 52 - H THR 108 lone 0 73 - 1 - Peak 689 from nnoeabs.peaks (0.87, 8.60, 114.07 ppm; 3.50 A): 2 out of 9 assignments used, quality = 0.90: * QG2 VAL 107 + H THR 108 OK 88 100 - 88 - 4.2=56, 3.2/687=29...(10) QD2 LEU 90 + H THR 108 OK 16 81 - 20 - 11578/4.5=10...(7) QG1 VAL 32 - H THR 108 lone 8 100 - 8 - 2.1/690=2, 10322/4.0=1 QD1 LEU 14 - H THR 108 lone 7 94 - 8 - 2.1/690=2, 10354/4.6=1 HG13 ILE 57 - H THR 108 lone 7 94 - 7 - ~9561=3, 10322/4.0=1 QG2 VAL 117 - H THR 108 lone 6 100 - 6 - 10354/4.6=2, 10322/4.0=1 QG2 THR 9 - H THR 108 lone 5 99 - 5 - QG2 VAL 104 - H THR 108 lone 3 73 - 4 - 10322/4.0=1 QG2 VAL 22 - H THR 108 lone 1 81 - 2 - Peak 690 from nnoeabs.peaks (0.76, 8.60, 114.07 ppm; 4.03 A): 1 out of 11 assignments used, quality = 0.97: * QG1 VAL 107 + H THR 108 OK 97 100 - 97 - 4.2=86, 3.2/687=36...(9) QD2 LEU 14 - H THR 108 OK 13 100 - 13 - 11007/688=2, 10355/4.6=2...(7) QD1 ILE 7 - H THR 108 OK 11 99 - 11 - 2.1/1718=3, 11584/4.2=3...(4) QG2 VAL 32 - H THR 108 lone 9 100 - 8 - 2.1/689=2, 10323/4.0=2...(4) QG2 ILE 7 - H THR 108 lone 4 61 - 7 - 3.2/1718=3, 10323/4.0=1 QD1 LEU 80 - H THR 108 lone 4 87 - 5 - 5502=1 QD1 LEU 82 - H THR 108 lone 3 77 - 4 - 1714/4.5=2 QD2 LEU 80 - H THR 108 lone 3 84 - 3 - 2.1/5502=1 QD1 ILE 15 - H THR 108 lone 2 100 - 2 - QD1 LEU 45 - H THR 108 lone 1 94 - 1 - QG2 ILE 54 - H THR 108 lone 1 70 - 2 - Peak 691 from nnoeabs.peaks (8.60, 8.04, 122.57 ppm; 3.03 A): 1 out of 8 assignments used, quality = 0.72: * H THR 108 + H ASP 109 OK 72 100 - 72 - 1951=31, 2.9/692=21...(9) H GLN 85 - H ASP 109 poor 9 84 - 10 - 6563/4.4=3, 6559/4.7=2...(4) H LYS 94 - H ASP 109 lone 6 100 - 6 - 2155/4.7=2, 6563/4.4=1 H LEU 80 - H ASP 109 lone 2 100 - 2 - H ILE 71 - H ASP 109 lone 2 98 - 2 - H ALA 124 - H ASP 109 lone 1 100 - 1 - H LYS 49 - H ASP 109 lone 1 100 - 1 - H ASP 12 - H ASP 109 lone 1 65 - 1 - Peak 692 from nnoeabs.peaks (4.78, 8.04, 122.57 ppm; 3.40 A): 1 out of 2 assignments used, quality = 0.94: * HA THR 108 + H ASP 109 OK 94 100 - 94 - 3.6=86, 3.0/693=23...(5) HA TYR 76 - H ASP 109 lone 1 100 - 1 - Peak 693 from nnoeabs.peaks (4.22, 8.04, 122.57 ppm; 3.48 A): 1 out of 3 assignments used, quality = 0.75: * HB THR 108 + H ASP 109 OK 75 100 - 75 - 4.7=42, 3.0/692=27...(5) HA LEU 90 - H ASP 109 lone 8 84 - 9 - 3.9/10354=2, 3.0/5782=2...(5) HA LEU 74 - H ASP 109 lone 0 94 - 0 - Peak 694 from nnoeabs.peaks (1.25, 8.04, 122.57 ppm; 3.83 A): 1 out of 5 assignments used, quality = 0.90: * QG2 THR 108 + H ASP 109 OK 90 100 - 90 - 4.4=67, 2.1/693=35...(7) HG13 ILE 7 - H ASP 109 lone 5 99 - 6 - 2.1/10355=2, 1718/4.6=2 HG12 ILE 54 - H ASP 109 lone 1 100 - 1 - HG3 LYS 61 - H ASP 109 lone 1 94 - 1 - HD2 LYS 2 - H ASP 109 lone 1 84 - 1 - Peak 695 from nnoeabs.peaks (8.04, 8.70, 122.85 ppm; 4.62 A): 1 out of 9 assignments used, quality = 1.00: * H ASP 109 + H ASP 110 OK 100 100 - 100 - 4.6=99, 3.0/696=45...(9) H ARG 118 - H ASP 110 OK 14 92 - 15 - 4.7/10411=3, 4.3/10368=3...(7) H LEU 90 - H ASP 110 OK 11 90 - 12 - 4.6/2180=3, 6571/4.4=2...(4) H THR 9 - H ASP 110 OK 10 96 - 11 - 3.9/10368=2, 3.0/696=2...(6) H LYS 65 - H ASP 110 lone 9 100 - 9 - 2087/3.0=2...(3) H VAL 22 - H ASP 110 lone 5 100 - 5 - H GLN 122 - H ASP 110 lone 2 65 - 3 - H GLY 26 - H ASP 110 lone 2 73 - 2 - H SER 72 - H ASP 110 lone 1 84 - 2 - Peak 696 from nnoeabs.peaks (4.74, 8.70, 122.85 ppm; 2.77 A): 1 out of 4 assignments used, quality = 0.67: * HA ASP 109 + H ASP 110 OK 67 100 - 67 - 3.6=47, 3.0/698=16...(5) HA THR 9 - H ASP 110 lone 3 100 - 3 - HA ARG 30 - H ASP 110 lone 0 100 - 0 - HA PHE 51 - H ASP 110 lone 0 57 - 0 - Peak 697 from nnoeabs.peaks (2.82, 8.70, 122.85 ppm; 3.53 A): 1 out of 4 assignments used, quality = 0.86: * HB2 ASP 109 + H ASP 110 OK 86 100 - 86 - 4.4=52, 1.8/698=35...(7) HB3 GLN 25 - H ASP 110 lone 3 100 - 3 - HB3 ASN 10 - H ASP 110 lone 1 100 - 1 - HE2 LYS 77 - H ASP 110 lone 1 94 - 1 - Peak 698 from nnoeabs.peaks (2.73, 8.70, 122.85 ppm; 3.42 A): 1 out of 5 assignments used, quality = 0.83: * HB3 ASP 109 + H ASP 110 OK 83 100 - 83 - 4.4=47, 1.8/697=33...(8) HG3 GLU 37 - H ASP 110 lone 5 100 - 5 - 7465/4.6=2 HB3 ASN 11 - H ASP 110 lone 2 77 - 2 - HB2 ASP 60 - H ASP 110 lone 1 98 - 1 - HE3 LYS 53 - H ASP 110 lone 1 87 - 1 - Peak 699 from nnoeabs.peaks (8.70, 8.21, 119.14 ppm; 3.87 A): 2 out of 3 assignments used, quality = 0.84: * H ASP 110 + H GLU 111 OK 82 100 - 82 - 4.6=58, 1726/4.4=20...(7) H ASP 86 + H GLU 111 OK 11 99 - 11 - 4.0/10037=4, 2183/4.5=2 H ARG 105 - H GLU 111 lone 2 94 - 2 - Peak 700 from nnoeabs.peaks (4.09, 8.21, 119.14 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 110 + H GLU 111 OK 100 100 - 100 - 3.6=100 Peak 701 from nnoeabs.peaks (2.42, 8.21, 119.14 ppm; 4.26 A): 1 out of 8 assignments used, quality = 0.95: * HB2 ASP 110 + H GLU 111 OK 95 100 - 95 - 4.4=89, 1.8/702=36...(4) HG2 GLN 85 - H GLU 111 lone 7 94 - 8 - 1725/4.6=3, 3.0/1730=2 HG3 GLN 85 - H GLU 111 lone 7 90 - 7 - 1725/4.6=3, 3.0/1730=2 HG2 GLU 91 - H GLU 111 lone 3 100 - 3 - 5.2/2138=1 HG3 GLN 62 - H GLU 111 lone 2 99 - 2 - HG2 GLN 62 - H GLU 111 lone 2 100 - 2 - HG2 GLN 122 - H GLU 111 lone 1 92 - 1 - HG2 MET 1 - H GLU 111 lone 1 84 - 1 - Peak 702 from nnoeabs.peaks (2.68, 8.21, 119.14 ppm; 4.06 A): 1 out of 10 assignments used, quality = 0.88: * HB3 ASP 110 + H GLU 111 OK 88 100 - 88 - 4.4=77, 1.8/701=29...(4) HB3 ASP 36 - H GLU 111 lone 4 61 - 6 - 4.3/1882=2, 3.0/8034=2 HB3 ASN 33 - H GLU 111 lone 3 96 - 3 - 4.6/9325=3 HB3 ASP 84 - H GLU 111 lone 2 70 - 3 - 1726/4.6=2 HE2 LYS 61 - H GLU 111 lone 1 99 - 1 - HE3 LYS 61 - H GLU 111 lone 1 97 - 1 - HB2 TYR 76 - H GLU 111 lone 0 70 - 1 - HB2 TYR 27 - H GLU 111 lone 0 65 - 1 - HE2 LYS 19 - H GLU 111 lone 0 65 - 1 - HE3 LYS 19 - H GLU 111 lone 0 65 - 1 - Peak 704 from nnoeabs.peaks (3.99, 8.23, 121.40 ppm; 3.24 A): 1 out of 1 assignment used, quality = 0.94: HA GLU 112 + H GLU 112 OK 94 94 - 100 - 3.0=100 Reference assignment not found: HA GLU 111 - H GLU 112 Peak 705 from nnoeabs.peaks (2.10, 8.23, 121.40 ppm; 2.79 A): 3 out of 18 assignments used, quality = 0.87: HB2 GLU 112 + H GLU 112 OK 50 77 - 65 - 4.0=33, 1.8/6627=9...(14) * HB2 GLU 111 + H GLU 112 OK 49 100 - 49 - 4.6=22, 1.8/706=18...(7) HB3 GLU 112 + H GLU 112 OK 47 73 - 65 - 4.0=33, 1.8/6627=9...(14) HB VAL 107 - H GLU 112 poor 8 70 - 11 - 2.1/10399=5, 2.1/10400=3 HB2 GLU 87 - H GLU 112 lone 6 99 - 6 - 1.8/706=1, 3.0/707=1, 3.0/707=1 HG3 GLN 83 - H GLU 112 lone 3 65 - 4 - 3.0/10398=1, 1.8/1738=1 HB3 GLU 66 - H GLU 112 lone 3 98 - 3 - HB3 GLU 69 - H GLU 112 lone 2 92 - 2 - HB3 GLU 47 - H GLU 112 lone 2 90 - 2 - HB3 GLU 92 - H GLU 112 lone 1 96 - 1 - HB2 GLU 103 - H GLU 112 lone 1 87 - 1 - HB2 LEU 38 - H GLU 112 lone 1 77 - 1 - HB3 GLU 119 - H GLU 112 lone 1 77 - 1 - HG2 GLU 52 - H GLU 112 lone 0 100 - 0 - HG3 GLU 21 - H GLU 112 lone 0 99 - 0 - HG2 GLU 21 - H GLU 112 lone 0 97 - 0 - HB2 GLU 119 - H GLU 112 lone 0 65 - 1 - HB2 GLU 21 - H GLU 112 lone 0 70 - 0 - Peak 706 from nnoeabs.peaks (2.02, 8.23, 121.40 ppm; 3.43 A): 1 out of 12 assignments used, quality = 0.69: * HB3 GLU 111 + H GLU 112 OK 69 100 - 69 - 4.6=41, 1.8/7870=26...(7) HB3 GLU 87 - H GLU 112 lone 6 70 - 8 - 3.0/707=2, 3.0/707=2...(4) HB2 GLU 89 - H GLU 112 lone 3 70 - 5 - 3.0/708=1 HB3 GLU 89 - H GLU 112 lone 3 70 - 5 - 3.0/708=1 HB3 GLN 85 - H GLU 112 lone 2 70 - 3 - 4.6/2183=1 HB2 GLN 25 - H GLU 112 lone 2 100 - 2 - 1.8/10403=1 HB2 GLU 48 - H GLU 112 lone 2 70 - 3 - 4.1/2184=2 HB3 GLU 48 - H GLU 112 lone 2 70 - 3 - 4.1/2184=2 HB2 GLU 66 - H GLU 112 lone 2 70 - 3 - HB2 MET 1 - H GLU 112 lone 0 97 - 0 - HG3 GLU 128 - H GLU 112 lone 0 94 - 0 - HG2 GLU 128 - H GLU 112 lone 0 94 - 0 - Peak 707 from nnoeabs.peaks (2.29, 8.23, 121.40 ppm; 4.40 A): 4 out of 10 assignments used, quality = 0.91: * HG2 GLU 111 + H GLU 112 OK 76 100 - 76 - 3.0/7870=30, 3.0/706=29...(8) HG3 GLU 111 + H GLU 112 OK 46 65 - 71 - 3.0/7870=30, 3.0/706=29...(10) HG2 GLU 87 + H GLU 112 OK 18 96 - 19 - 7872=4, 1.8/7872=3...(7) HG3 GLU 87 + H GLU 112 OK 18 96 - 19 - 7872=4, 1.8/7872=3...(7) HB2 GLU 37 - H GLU 112 lone 5 65 - 8 - 3.0/10402=4, 1731/4.5=1 HG2 GLU 69 - H GLU 112 lone 4 81 - 5 - HB2 MET 121 - H GLU 112 lone 3 100 - 3 - HG3 GLU 91 - H GLU 112 lone 3 100 - 3 - HG2 GLU 47 - H GLU 112 lone 2 96 - 2 - HB3 ASN 8 - H GLU 112 lone 2 81 - 2 - Peak 708 from nnoeabs.peaks (2.27, 8.23, 121.40 ppm; 4.73 A): 4 out of 9 assignments used, quality = 0.92: * HG3 GLU 111 + H GLU 112 OK 80 100 - 80 - 3.0/7870=33, 3.0/706=32...(10) HG2 GLU 111 + H GLU 112 OK 48 65 - 74 - 3.0/7870=33, 3.0/706=32...(9) HB2 GLU 37 + H GLU 112 OK 11 100 - 11 - 3.0/10402=4, 1732/4.5=2 HG2 GLU 89 + H GLU 112 OK 11 98 - 11 - 7873=2, 1732/4.5=2...(6) HG2 GLU 69 - H GLU 112 lone 7 99 - 7 - 7873=1 HG3 GLU 92 - H GLU 112 lone 5 99 - 5 - HG2 GLU 103 - H GLU 112 lone 4 84 - 4 - HB3 ASN 8 - H GLU 112 lone 3 99 - 3 - HG3 GLU 91 - H GLU 112 lone 2 65 - 3 - Peak 709 from nnoeabs.peaks (8.23, 8.12, 120.32 ppm; 3.12 A): 2 out of 6 assignments used, quality = 0.67: * H GLU 112 + H ALA 113 OK 56 100 - 56 - 4.6=31, 10398/2.9=12...(9) H GLU 112 + H VAL 117 OK 25 97 - 26 - 1955=13, 10399/4.0=3...(7) H ILE 15 - H ALA 113 lone 8 99 - 9 - 10406/2.9=2, 2190/4.6=2 H ILE 15 - H VAL 117 lone 4 96 - 5 - H GLU 89 - H ALA 113 lone 2 84 - 2 - H GLU 89 - H VAL 117 lone 1 78 - 1 - Peak 710 from nnoeabs.peaks (4.00, 8.12, 120.32 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 112 + H ALA 113 OK 100 100 - 100 - 3.6=100 Peak 711 from nnoeabs.peaks (2.08, 8.12, 120.32 ppm; 3.09 A): 6 out of 26 assignments used, quality = 0.94: * HB2 GLU 112 + H ALA 113 OK 62 100 - 62 - 4.6=30, 4.0/1955=11...(12) HB3 GLU 112 + H ALA 113 OK 62 100 - 62 - 4.6=30, 4.0/1955=11...(12) HB2 GLU 112 + H VAL 117 OK 25 97 - 26 - 7875=5, 4.0/1955=5...(8) HB3 GLU 112 + H VAL 117 OK 25 97 - 26 - 7875=5, 4.0/1955=5...(8) HG2 GLU 119 + H VAL 117 OK 20 91 - 22 - 10549/3.6=10, 5.3/2215=6...(5) HB2 GLU 111 + H ALA 113 OK 15 77 - 20 - 4.6/1955=8, ~10428=3...(6) HG2 GLU 119 - H ALA 113 lone 6 96 - 6 - 5.3/2215=2, 11200/7901=1 HB2 GLU 111 - H VAL 117 lone 5 72 - 6 - 4.6/1955=4 HB3 GLU 66 - H ALA 113 lone 3 94 - 4 - HB3 GLU 66 - H VAL 117 lone 3 89 - 4 - HB3 GLU 69 - H ALA 113 lone 2 99 - 2 - HB3 MET 121 - H VAL 117 lone 2 92 - 2 - HB2 GLU 87 - H ALA 113 lone 2 92 - 2 - HB3 GLU 69 - H VAL 117 lone 2 95 - 2 - HB2 GLU 103 - H ALA 113 lone 1 100 - 1 - HB3 MET 121 - H ALA 113 lone 1 97 - 1 - HB2 GLU 87 - H VAL 117 lone 1 87 - 1 - HB2 GLU 103 - H VAL 117 lone 1 96 - 1 - HB2 LYS 94 - H ALA 113 lone 1 81 - 1 - HB2 LYS 94 - H VAL 117 lone 1 75 - 1 - HB3 PHE 79 - H ALA 113 lone 0 94 - 1 - HB3 PHE 79 - H VAL 117 lone 0 89 - 1 - HG2 GLU 52 - H ALA 113 lone 0 73 - 1 - HB3 GLU 91 - H ALA 113 lone 0 77 - 1 - HG2 GLU 52 - H VAL 117 lone 0 68 - 1 - HB3 GLU 91 - H VAL 117 lone 0 72 - 0 - Peak 712 from nnoeabs.peaks (2.08, 8.12, 120.32 ppm; 3.09 A): 6 out of 28 assignments used, quality = 0.94: HB2 GLU 112 + H ALA 113 OK 62 100 - 62 - 4.6=30, 4.0/1955=11...(12) * HB3 GLU 112 + H ALA 113 OK 62 100 - 62 - 4.6=30, 4.0/1955=11...(12) HB2 GLU 112 + H VAL 117 OK 25 97 - 26 - 7875=5, 4.0/1955=5...(8) HB3 GLU 112 + H VAL 117 OK 25 97 - 26 - 7875=5, 4.0/1955=5...(8) HG2 GLU 119 + H VAL 117 OK 20 92 - 22 - 10549/3.6=10, 5.3/2215=6...(5) HB2 GLU 111 + H ALA 113 OK 15 73 - 20 - 4.6/1955=8, ~10428=3...(5) HG2 GLU 119 - H ALA 113 lone 6 97 - 6 - 5.3/2215=2, 11200/7901=1 HB2 GLU 111 - H VAL 117 lone 4 68 - 6 - 4.6/1955=4 HB3 GLU 66 - H ALA 113 lone 3 92 - 4 - HB3 GLU 66 - H VAL 117 lone 3 87 - 4 - HB3 GLU 69 - H ALA 113 lone 2 98 - 2 - HB3 MET 121 - H VAL 117 lone 2 94 - 2 - HB3 GLU 69 - H VAL 117 lone 2 94 - 2 - HB2 GLU 87 - H ALA 113 lone 2 90 - 2 - HB3 MET 121 - H ALA 113 lone 1 98 - 1 - HB2 GLU 103 - H ALA 113 lone 1 99 - 1 - HB2 GLU 87 - H VAL 117 lone 1 84 - 1 - HB2 GLU 103 - H VAL 117 lone 1 96 - 1 - HB2 LYS 94 - H ALA 113 lone 1 84 - 1 - HB2 LYS 94 - H VAL 117 lone 1 78 - 1 - HB3 PHE 79 - H ALA 113 lone 1 96 - 1 - HB3 PHE 79 - H VAL 117 lone 0 91 - 1 - HB3 GLU 91 - H ALA 113 lone 0 81 - 1 - HG2 GLU 52 - H ALA 113 lone 0 70 - 1 - HB3 GLU 91 - H VAL 117 lone 0 75 - 0 - HG2 GLU 52 - H VAL 117 lone 0 64 - 1 - HB2 GLU 13 - H ALA 113 lone 0 61 - 1 - HB2 GLU 13 - H VAL 117 lone 0 57 - 1 - Peak 713 from nnoeabs.peaks (2.34, 8.12, 120.32 ppm; 4.79 A): 3 out of 14 assignments used, quality = 0.99: HG3 GLU 112 + H ALA 113 OK 77 100 - 77 - 4.9/1955=20, 6626/3.6=19...(15) * HG2 GLU 112 + H ALA 113 OK 77 100 - 77 - 4.9/1955=20, 6625/3.6=18...(15) HB3 PHE 120 + H VAL 117 OK 76 94 - 81 - 8279/3.0=35, ~8276=28...(9) HG2 GLU 112 - H VAL 117 OK 43 97 - 44 - 4.9/1955=9, 7878=8...(10) HG3 GLU 112 - H VAL 117 OK 43 97 - 44 - 4.9/1955=9, 7878=8...(10) HG2 GLN 83 - H ALA 113 OK 13 100 - 13 - 10425/2.9=5...(4) HG2 GLN 83 - H VAL 117 lone 9 97 - 9 - 10011/4.0=2, 8278/3.0=2...(4) HB3 PHE 120 - H ALA 113 lone 7 98 - 7 - 10907/739=1, 10497/7901=1 HG3 GLU 103 - H ALA 113 lone 3 81 - 3 - HG3 GLN 100 - H ALA 113 lone 3 81 - 4 - 4.9/2198=1 HG3 GLU 48 - H ALA 113 lone 3 65 - 4 - 5.1/1956=1 HG3 GLN 100 - H VAL 117 lone 2 75 - 2 - HG3 GLU 48 - H VAL 117 lone 1 60 - 2 - HG3 GLU 103 - H VAL 117 lone 1 75 - 1 - Peak 714 from nnoeabs.peaks (2.34, 8.12, 120.32 ppm; 4.79 A): 3 out of 14 assignments used, quality = 0.99: * HG3 GLU 112 + H ALA 113 OK 77 100 - 77 - 4.9/1955=20, 6626/3.6=19...(15) HG2 GLU 112 + H ALA 113 OK 77 100 - 77 - 4.9/1955=20, 6626/3.6=18...(15) HB3 PHE 120 + H VAL 117 OK 77 95 - 81 - 8279/3.0=35, ~8276=28...(9) HG3 GLU 112 - H VAL 117 OK 43 97 - 44 - 4.9/1955=9, 7878=8...(10) HG2 GLU 112 - H VAL 117 OK 43 97 - 44 - 4.9/1955=9, 7878=8...(10) HG2 GLN 83 - H ALA 113 OK 13 100 - 13 - 10425/2.9=5...(4) HG2 GLN 83 - H VAL 117 lone 9 97 - 9 - 10011/4.0=2, 8278/3.0=2...(4) HB3 PHE 120 - H ALA 113 lone 7 99 - 7 - 10907/739=1, 10497/7901=1 HG3 GLN 100 - H ALA 113 lone 3 84 - 4 - 4.9/2198=1 HG3 GLU 103 - H ALA 113 lone 3 77 - 3 - HG3 GLU 48 - H ALA 113 lone 3 61 - 4 - 5.1/1956=1 HG3 GLN 100 - H VAL 117 lone 2 78 - 3 - HG3 GLU 48 - H VAL 117 lone 1 57 - 2 - HG3 GLU 103 - H VAL 117 lone 1 72 - 1 - Peak 715 from nnoeabs.peaks (8.12, 7.74, 116.90 ppm; 3.36 A): 2 out of 4 assignments used, quality = 0.89: * H ALA 113 + H LEU 114 OK 77 100 - 77 - 4.6=38, 2.9/7880=24...(16) H VAL 117 + H LEU 114 OK 50 100 - 51 - 1956=18, 2206/3.0=10...(12) H SER 99 - H LEU 114 lone 3 61 - 4 - 4.6/718=1 H PHE 93 - H LEU 114 lone 2 77 - 2 - Peak 716 from nnoeabs.peaks (3.80, 7.74, 116.90 ppm; 4.29 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 113 + H LEU 114 OK 100 100 - 100 - 3.6=100 Peak 717 from nnoeabs.peaks (1.41, 7.74, 116.90 ppm; 2.92 A): 2 out of 8 assignments used, quality = 0.89: * QB ALA 113 + H LEU 114 OK 70 100 - 70 - 3.7=49, 2.9/715=12...(14) HB3 LEU 114 + H LEU 114 OK 65 84 - 77 - 3.9=43, 1.8/1744=22...(11) HG3 LYS 17 - H LEU 114 lone 5 61 - 8 - 10918/4.5=2, 3.9/2191=1 HB3 LEU 63 - H LEU 114 lone 2 73 - 3 - 4.6/1957=2 HB3 GLN 83 - H LEU 114 lone 2 92 - 2 - HG3 LYS 106 - H LEU 114 lone 2 96 - 2 - HG3 LYS 16 - H LEU 114 lone 1 81 - 2 - HG12 ILE 56 - H LEU 114 lone 1 70 - 1 - Peak 718 from nnoeabs.peaks (7.74, 7.62, 119.07 ppm; 3.28 A): 1 out of 4 assignments used, quality = 0.73: * H LEU 114 + H LYS 115 OK 73 100 - 73 - 4.6=35, 6664/4.3=13...(14) H LEU 114 - H GLN 100 poor 8 67 - 12 - 1957=4, 3.9/7883=1 H GLU 48 - H LYS 115 lone 7 99 - 7 - 6671/4.3=2, 6664/4.3=2 H GLU 48 - H GLN 100 lone 1 64 - 1 - Peak 719 from nnoeabs.peaks (3.71, 7.62, 119.07 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 114 + H LYS 115 OK 100 100 - 100 - 3.6=100 Peak 720 from nnoeabs.peaks (1.74, 7.62, 119.07 ppm; 3.66 A): 3 out of 26 assignments used, quality = 0.92: * HB2 LEU 114 + H LYS 115 OK 82 100 - 82 - 4.3=61, 3.9/718=20...(11) HG2 ARG 118 + H LYS 115 OK 44 98 - 45 - ~8264=8, ~11598=8...(10) HB2 LEU 68 + H LYS 115 OK 19 87 - 22 - ~10455=10, 1.8/7644=4...(5) HB2 LEU 114 - H GLN 100 poor 9 67 - 13 - 1.8/7883=3, 3.9/718=2...(6) HG12 ILE 15 - H LYS 115 lone 7 94 - 7 - 5.0/1864=1, 2.9/7360=1 HG2 LYS 17 - H LYS 115 poor 6 57 - 11 - 10917/4.9=2, 6687/4.9=2...(4) HD3 LYS 123 - H LYS 115 lone 6 84 - 7 - 7129/4.0=1, 7129/4.0=1 HB2 LEU 80 - H LYS 115 lone 3 65 - 5 - 1.8/1754=2, ~10452=2 HB3 LEU 82 - H LYS 115 lone 3 100 - 3 - HG3 ARG 105 - H LYS 115 lone 3 70 - 4 - HB2 LEU 68 - H GLN 100 lone 2 52 - 4 - 4.0/1911=2 HB3 LYS 49 - H LYS 115 lone 2 57 - 4 - 4.4/11181=2 HB2 LYS 106 - H LYS 115 lone 1 61 - 2 - HB3 LYS 94 - H LYS 115 lone 1 100 - 1 - HB3 LEU 90 - H LYS 115 lone 1 84 - 1 - HG12 ILE 15 - H GLN 100 lone 1 58 - 1 - HG2 ARG 118 - H GLN 100 lone 0 63 - 1 - HB3 LEU 90 - H GLN 100 lone 0 50 - 1 - HD3 LYS 123 - H GLN 100 lone 0 50 - 1 - HB3 LEU 82 - H GLN 100 lone 0 67 - 1 - HB3 LYS 94 - H GLN 100 lone 0 67 - 1 - HG2 LYS 17 - H GLN 100 lone 0 31 - 1 - HB3 LYS 49 - H GLN 100 lone 0 31 - 1 - HB2 LYS 106 - H GLN 100 lone 0 34 - 1 - HB2 LEU 80 - H GLN 100 lone 0 37 - 1 - HG3 ARG 105 - H GLN 100 lone 0 39 - 0 - Peak 721 from nnoeabs.peaks (1.40, 7.62, 119.07 ppm; 3.66 A): 3 out of 14 assignments used, quality = 0.91: * HB3 LEU 114 + H LYS 115 OK 81 100 - 81 - 4.3=61, 3.9/718=20...(10) QB ALA 113 + H LYS 115 OK 42 84 - 51 - 3.7/718=21, 2.9/2198=12...(6) HB3 LEU 68 + H LYS 115 OK 15 73 - 21 - ~10455=10, 1.8/720=4...(6) HB3 LEU 114 - H GLN 100 poor 9 67 - 13 - 7883=3, 3.9/718=2...(6) HG3 LYS 16 - H LYS 115 lone 9 100 - 9 - 2760=2, 1.8/2750=2 HG3 LYS 106 - H LYS 115 lone 3 99 - 3 - HG LEU 14 - H LYS 115 lone 3 61 - 5 - 2.1/10451=3 QB ALA 113 - H GLN 100 lone 3 50 - 6 - 3.7/718=2, 2.9/2198=1 HB3 LEU 68 - H GLN 100 lone 2 42 - 4 - 4.0/1911=2 HG3 LYS 16 - H GLN 100 lone 1 67 - 1 - HG2 LYS 40 - H LYS 115 lone 1 65 - 1 - HG3 LYS 106 - H GLN 100 lone 1 64 - 1 - HG LEU 14 - H GLN 100 lone 0 34 - 1 - HG2 LYS 40 - H GLN 100 lone 0 37 - 1 - Peak 722 from nnoeabs.peaks (1.65, 7.62, 119.07 ppm; 3.61 A): 5 out of 24 assignments used, quality = 0.99: HD2 LYS 115 + H LYS 115 OK 74 99 - 75 - 6.0=22, 2.9/1754=18...(21) HD3 LYS 115 + H LYS 115 OK 72 96 - 75 - 6.0=22, 2.9/1754=18...(21) * HG LEU 114 + H LYS 115 OK 54 100 - 54 - 3.0/721=13, 5.2/718=12...(9) HD3 LYS 65 + H LYS 115 OK 48 100 - 48 - 3.0/1753=7, 6705/3.0=4...(23) HD2 LYS 65 + H LYS 115 OK 48 100 - 48 - 3.0/1753=7, 6705/3.0=4...(23) HG LEU 64 - H LYS 115 OK 19 94 - 21 - 2.1/723=4, 2.1/4786=4...(7) HG LEU 114 - H GLN 100 poor 8 67 - 11 - 3.0/7883=2, 2.1/7886=2...(6) HD2 LYS 115 - H GLN 100 lone 6 64 - 9 - 2.9/6739=3, 2.9/6729=2 HD3 LYS 115 - H GLN 100 lone 6 60 - 9 - 2.9/6739=3, 2.9/6729=2 HB ILE 5 - H LYS 115 lone 4 99 - 4 - HB2 ARG 30 - H LYS 115 lone 2 100 - 2 - HD2 LYS 65 - H GLN 100 lone 2 66 - 3 - HD3 LYS 65 - H GLN 100 lone 2 67 - 3 - HG LEU 90 - H LYS 115 lone 2 87 - 2 - HG LEU 64 - H GLN 100 lone 2 58 - 3 - HD3 LYS 49 - H LYS 115 lone 1 100 - 1 - HD2 LYS 49 - H LYS 115 lone 1 100 - 1 - HB2 GLU 52 - H LYS 115 lone 1 99 - 1 - HG LEU 90 - H GLN 100 lone 1 52 - 1 - HD2 LYS 49 - H GLN 100 lone 0 67 - 1 - HD3 LYS 49 - H GLN 100 lone 0 67 - 1 - HB ILE 5 - H GLN 100 lone 0 64 - 1 - HB2 ARG 30 - H GLN 100 lone 0 66 - 1 - HB2 GLU 52 - H GLN 100 lone 0 64 - 0 - Peak 723 from nnoeabs.peaks (0.81, 7.62, 119.07 ppm; 4.56 A): 1 out of 16 assignments used, quality = 0.96: * QD1 LEU 114 + H LYS 115 OK 96 100 - 96 - 4.9=82, 4.5/718=25...(16) QD1 LEU 64 - H LYS 115 OK 36 94 - 39 - 2.1/4786=6, ~10452=6...(14) QD1 LEU 81 - H LYS 115 OK 20 73 - 27 - 11602/4.6=7, ~9956=5...(9) QD1 LEU 114 - H GLN 100 OK 13 67 - 19 - 2.1/7886=3, 4.5/718=3...(8) QG2 ILE 71 - H LYS 115 poor 10 87 - 11 - 4.1/9802=2, 3.2/9790=2 QD1 LEU 74 - H LYS 115 lone 8 87 - 9 - 5241=2, 2.1/5248=2...(4) QD2 LEU 74 - H LYS 115 lone 7 81 - 9 - 2.1/5241=2, 5248=2...(4) QD1 LEU 64 - H GLN 100 lone 2 58 - 4 - QG1 VAL 29 - H LYS 115 lone 2 99 - 2 - QD2 LEU 82 - H LYS 115 lone 2 57 - 3 - ~10452=1 QG2 ILE 71 - H GLN 100 lone 2 52 - 3 - QD1 LEU 74 - H GLN 100 lone 1 52 - 2 - QD2 LEU 74 - H GLN 100 lone 1 47 - 2 - QD1 LEU 81 - H GLN 100 lone 1 42 - 2 - QG1 VAL 29 - H GLN 100 lone 1 64 - 1 - QD2 LEU 82 - H GLN 100 lone 0 31 - 1 - Peak 724 from nnoeabs.peaks (0.67, 7.62, 119.07 ppm; 4.43 A): 2 out of 14 assignments used, quality = 0.98: * QD2 LEU 114 + H LYS 115 OK 95 100 - 95 - 4.9=75, 6693/3.6=34...(17) QD1 ILE 116 + H LYS 115 OK 58 92 - 63 - 4.7/1958=23...(18) QG2 ILE 97 - H LYS 115 OK 30 87 - 34 - ~10456=12, ~10124=4...(11) QD2 LEU 114 - H GLN 100 OK 11 67 - 16 - 7886=4, 4.5/718=3...(6) QG2 ILE 97 - H GLN 100 poor 7 52 - 13 - 3.2/11311=5, 10135/3.6=4 QD1 ILE 71 - H LYS 115 lone 6 73 - 8 - 4.2/9790=2, 3.3/723=1 QD1 ILE 116 - H GLN 100 lone 4 56 - 7 - 4.7/725=2 QD1 ILE 56 - H LYS 115 lone 4 94 - 4 - QD1 LEU 55 - H LYS 115 lone 4 81 - 4 - QD2 LEU 4 - H LYS 115 lone 3 96 - 3 - QD1 ILE 71 - H GLN 100 lone 2 42 - 4 - QD1 ILE 56 - H GLN 100 lone 1 58 - 2 - QD2 LEU 4 - H GLN 100 lone 1 60 - 1 - QD1 LEU 55 - H GLN 100 lone 0 47 - 1 - Peak 725 from nnoeabs.peaks (7.62, 8.00, 120.61 ppm; 3.55 A): 2 out of 11 assignments used, quality = 0.78: * H LYS 115 + H ILE 116 OK 75 100 - 75 - 4.6=46, 4.6/2193=11...(15) H LEU 64 + H ILE 116 OK 12 94 - 13 - 4.7/10478=2, 3.6/1761=2...(5) H GLN 100 - H ILE 116 poor 10 98 - 10 - 1958=4 H GLU 69 - H ILE 116 lone 4 92 - 4 - H LYS 16 - H ILE 116 lone 3 84 - 4 - H LEU 74 - H ILE 116 lone 2 96 - 2 - H ASP 34 - H ILE 116 lone 2 100 - 2 - HE21 GLN 85 - H ILE 116 lone 2 97 - 2 - H ALA 46 - H ILE 116 lone 1 57 - 1 - HE ARG 105 - H ILE 116 lone 1 65 - 1 - HD21 ASN 50 - H ILE 116 lone 1 73 - 1 - Peak 726 from nnoeabs.peaks (3.80, 8.00, 120.61 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 115 + H ILE 116 OK 100 100 - 100 - 3.6=100 Peak 727 from nnoeabs.peaks (1.93, 8.00, 120.61 ppm; 3.56 A): 2 out of 16 assignments used, quality = 0.96: * HB2 LYS 115 + H ILE 116 OK 82 100 - 82 - 4.4=51, 3.0/729=18...(13) HB3 LYS 115 + H ILE 116 OK 80 98 - 82 - 4.4=51, 3.0/729=18...(12) HB2 LEU 81 - H ILE 116 OK 29 94 - 31 - 3.1/10478=9, 9961/4.0=8...(8) HB3 LYS 65 - H ILE 116 OK 27 99 - 27 - 2.9/729=7, 7889=5...(8) HB2 LYS 65 - H ILE 116 OK 26 98 - 27 - 2.9/729=7, 7889=5...(8) HB3 LYS 17 - H ILE 116 lone 9 98 - 9 - 3.0/10479=2, 10914/4.7=2 HB2 LYS 123 - H ILE 116 lone 3 98 - 3 - HB ILE 15 - H ILE 116 lone 3 84 - 3 - HB VAL 104 - H ILE 116 lone 3 65 - 4 - HB3 LYS 123 - H ILE 116 lone 2 81 - 3 - HB2 LEU 70 - H ILE 116 lone 2 81 - 2 - HG2 MET 121 - H ILE 116 lone 1 90 - 2 - HB2 LYS 39 - H ILE 116 lone 1 98 - 1 - HB2 LYS 44 - H ILE 116 lone 1 70 - 1 - HB2 LEU 127 - H ILE 116 lone 1 99 - 1 - HB3 LYS 40 - H ILE 116 lone 1 70 - 1 - Peak 728 from nnoeabs.peaks (1.93, 8.00, 120.61 ppm; 3.56 A): 2 out of 20 assignments used, quality = 0.96: * HB3 LYS 115 + H ILE 116 OK 82 100 - 82 - 4.4=51, 3.0/729=18...(12) HB2 LYS 115 + H ILE 116 OK 80 98 - 82 - 4.4=51, 3.0/729=18...(12) HB3 LYS 65 - H ILE 116 OK 27 100 - 27 - 2.9/729=7, 7889=5...(8) HB2 LYS 65 - H ILE 116 OK 27 100 - 27 - 2.9/729=7, 7889=5...(8) HB2 LEU 81 - H ILE 116 OK 21 77 - 28 - 3.1/10478=9, 9961/4.0=6...(6) HB3 LYS 17 - H ILE 116 lone 7 87 - 8 - 3.0/10479=2, 3.0/2202=1 HB VAL 104 - H ILE 116 lone 4 87 - 5 - 10225/730=1 HB2 LYS 123 - H ILE 116 lone 3 100 - 3 - HB2 LEU 70 - H ILE 116 lone 2 96 - 2 - HB ILE 15 - H ILE 116 lone 2 61 - 2 - HB2 LYS 39 - H ILE 116 lone 1 100 - 1 - HB3 LYS 40 - H ILE 116 lone 1 90 - 1 - HG2 MET 121 - H ILE 116 lone 1 70 - 1 - HB3 GLU 41 - H ILE 116 lone 1 77 - 1 - HB2 LEU 127 - H ILE 116 lone 1 100 - 1 - HB3 LYS 39 - H ILE 116 lone 1 81 - 1 - HB2 GLU 41 - H ILE 116 lone 1 73 - 1 - HB3 MET 42 - H ILE 116 lone 0 73 - 1 - HB VAL 29 - H ILE 116 lone 0 61 - 1 - HB3 GLU 52 - H ILE 116 lone 0 65 - 1 - Peak 729 from nnoeabs.peaks (1.56, 8.00, 120.61 ppm; 3.30 A): 2 out of 11 assignments used, quality = 0.64: * HG2 LYS 115 + H ILE 116 OK 56 100 - 56 - 1.8/730=11, 6703/3.6=11...(11) HG2 LYS 65 + H ILE 116 OK 20 87 - 23 - 6703/3.6=5, 7890=4...(8) HG3 LYS 96 - H ILE 116 lone 3 94 - 3 - HG12 ILE 3 - H ILE 116 lone 2 100 - 2 - 2.1/1764=1 HG2 LYS 123 - H ILE 116 lone 2 81 - 3 - 6703/3.6=1 HB3 LEU 70 - H ILE 116 lone 2 94 - 2 - HD2 LYS 106 - H ILE 116 lone 1 100 - 1 - HD3 LYS 106 - H ILE 116 lone 1 100 - 1 - HG LEU 55 - H ILE 116 lone 1 99 - 1 - QB ALA 46 - H ILE 116 lone 1 90 - 1 - HB VAL 78 - H ILE 116 lone 1 99 - 1 - Peak 730 from nnoeabs.peaks (1.30, 8.00, 120.61 ppm; 5.15 A): 2 out of 2 assignments used, quality = 0.87: * HG3 LYS 115 + H ILE 116 OK 85 100 - 85 - 7891=37, 1.8/729=31...(9) HB3 LEU 80 + H ILE 116 OK 13 87 - 15 - 3.1/10478=5, 3.1/10478=4...(5) Peak 735 from nnoeabs.peaks (8.00, 8.12, 120.23 ppm; 3.18 A): 2 out of 6 assignments used, quality = 0.84: H ILE 116 + H ALA 113 OK 62 97 - 64 - 1959=20, 8249/3.6=11...(15) * H ILE 116 + H VAL 117 OK 59 100 - 59 - 4.7=32, 1762/4.3=13...(10) H GLY 26 - H VAL 117 lone 2 73 - 2 - H GLY 26 - H ALA 113 lone 1 68 - 2 - H SER 72 - H ALA 113 lone 1 57 - 2 - H SER 72 - H VAL 117 lone 1 61 - 2 - Peak 736 from nnoeabs.peaks (3.46, 8.12, 120.23 ppm; 4.53 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 116 + H VAL 117 OK 100 100 - 100 - 3.6=100 Peak 737 from nnoeabs.peaks (1.63, 8.12, 120.23 ppm; 3.35 A): 2 out of 24 assignments used, quality = 0.91: * HB ILE 116 + H VAL 117 OK 75 100 - 75 - 4.4=43, 2.1/738=14...(13) HB ILE 116 + H ALA 113 OK 65 97 - 67 - 2.1/738=12, 7897=11...(19) HB3 LEU 64 - H VAL 117 OK 16 100 - 16 - 10521/4.0=4, 10965/4.0=3...(6) HB3 LEU 64 - H ALA 113 OK 14 97 - 14 - 8252/3.0=2, ~11010=2...(6) HB2 LEU 82 - H VAL 117 OK 14 94 - 14 - ~11492=6, 10521/4.0=2...(4) HG LEU 64 - H ALA 113 OK 10 81 - 13 - 8252/3.0=2, 10422/2.9=1...(4) HG LEU 64 - H VAL 117 lone 7 87 - 8 - 10511/4.0=2, 1761/4.7=1 HG LEU 63 - H VAL 117 lone 6 92 - 6 - 10521/4.0=2 HB2 LEU 82 - H ALA 113 lone 5 89 - 5 - HG LEU 63 - H ALA 113 lone 5 87 - 5 - HB ILE 5 - H ALA 113 lone 4 68 - 7 - ~10421=1, 8252/3.0=1 HB ILE 5 - H VAL 117 lone 4 73 - 6 - ~10502=2, 10511/4.0=2 HG LEU 90 - H ALA 113 lone 3 89 - 3 - HG2 LYS 16 - H ALA 113 lone 2 96 - 2 - HG2 LYS 16 - H VAL 117 lone 2 100 - 2 - HG LEU 90 - H VAL 117 lone 1 94 - 2 - HD2 LYS 77 - H VAL 117 lone 1 98 - 1 - HD3 LYS 77 - H VAL 117 lone 1 97 - 1 - HD2 LYS 77 - H ALA 113 lone 1 94 - 1 - HD3 LYS 77 - H ALA 113 lone 1 92 - 1 - HG3 LYS 40 - H VAL 117 lone 1 92 - 1 - HG3 LYS 40 - H ALA 113 lone 1 87 - 1 - HB3 LEU 127 - H VAL 117 lone 0 70 - 1 - HB3 LEU 127 - H ALA 113 lone 0 64 - 0 - Peak 738 from nnoeabs.peaks (0.04, 8.12, 120.23 ppm; 3.92 A): 2 out of 2 assignments used, quality = 0.98: * QG2 ILE 116 + H VAL 117 OK 92 100 - 92 - 4.3=73, 10503/3.0=21...(14) QG2 ILE 116 + H ALA 113 OK 76 97 - 78 - 2.1/7897=14, 4.0/735=13...(24) Peak 739 from nnoeabs.peaks (1.58, 8.12, 120.23 ppm; 4.26 A): 2 out of 24 assignments used, quality = 0.96: HG12 ILE 116 + H ALA 113 OK 82 97 - 84 - 3.2/738=15, 2.9/7897=14...(20) * HG12 ILE 116 + H VAL 117 OK 76 100 - 76 - 6812/4.4=27, 1763/4.7=22...(10) HG LEU 82 - H VAL 117 OK 16 81 - 20 - ~11492=13, 3.0/10430=2...(5) HG LEU 82 - H ALA 113 lone 4 75 - 5 - HG LEU 55 - H ALA 113 lone 3 60 - 5 - HG LEU 68 - H VAL 117 lone 3 99 - 3 - HG LEU 68 - H ALA 113 lone 2 96 - 3 - HG2 LYS 123 - H VAL 117 lone 2 94 - 2 - HD2 LYS 19 - H VAL 117 lone 2 92 - 2 - HD3 LYS 19 - H VAL 117 lone 2 92 - 2 - HG2 LYS 44 - H VAL 117 lone 1 100 - 1 - HG2 LYS 123 - H ALA 113 lone 1 89 - 1 - HG2 LYS 73 - H VAL 117 lone 1 84 - 1 - HG2 LYS 73 - H ALA 113 lone 1 78 - 1 - HG2 LYS 44 - H ALA 113 lone 1 97 - 1 - HD3 LYS 19 - H ALA 113 lone 1 87 - 1 - HD2 LYS 19 - H ALA 113 lone 1 87 - 1 - HG3 LYS 96 - H VAL 117 lone 1 81 - 1 - HG3 LYS 96 - H ALA 113 lone 1 75 - 1 - HG3 LYS 19 - H ALA 113 lone 1 81 - 1 - HG LEU 55 - H VAL 117 lone 1 65 - 1 - HB3 LEU 70 - H VAL 117 lone 1 81 - 1 - HG3 LYS 19 - H VAL 117 lone 1 87 - 1 - HB3 LEU 70 - H ALA 113 lone 1 75 - 1 - Peak 740 from nnoeabs.peaks (0.97, 8.12, 120.23 ppm; 4.96 A): 2 out of 10 assignments used, quality = 0.98: HG13 ILE 116 + H ALA 113 OK 88 97 - 91 - 10413/3.0=20, 1.8/739=19...(17) * HG13 ILE 116 + H VAL 117 OK 80 100 - 80 - 1764/4.7=29, 3.2/738=22...(8) HG13 ILE 56 - H ALA 113 lone 5 81 - 6 - 10413/3.0=2, ~10420=1 QD1 ILE 3 - H VAL 117 lone 4 100 - 4 - 1764/4.7=2 QD1 LEU 38 - H VAL 117 lone 4 96 - 4 - 10987/4.0=2 QD1 LEU 38 - H ALA 113 lone 3 91 - 3 - QD1 ILE 3 - H ALA 113 lone 3 97 - 3 - HG13 ILE 56 - H VAL 117 lone 2 87 - 2 - HD3 LYS 2 - H ALA 113 lone 1 87 - 2 - HD3 LYS 2 - H VAL 117 lone 1 92 - 1 - Peak 741 from nnoeabs.peaks (0.68, 8.12, 120.23 ppm; 3.60 A): 3 out of 14 assignments used, quality = 0.96: QD1 ILE 116 + H ALA 113 OK 74 97 - 76 - 10416/3.0=15, 3.0/738=11...(21) * QD1 ILE 116 + H VAL 117 OK 69 100 - 69 - 6825/3.6=21, 3.0/738=14...(11) QD2 LEU 114 + H ALA 113 OK 46 87 - 53 - 6692/4.6=12...(13) QD2 LEU 114 - H VAL 117 OK 30 92 - 33 - 3.9/2206=9, 4.5/715=7...(7) QD1 LEU 55 - H ALA 113 lone 5 96 - 5 - 10416/3.0=1 QG2 ILE 97 - H ALA 113 lone 5 97 - 5 - QG2 ILE 97 - H VAL 117 lone 3 100 - 3 - 1765/4.7=1 QD1 ILE 56 - H ALA 113 lone 2 57 - 4 - QG2 ILE 56 - H ALA 113 lone 2 75 - 3 - QD2 LEU 4 - H ALA 113 lone 2 97 - 2 - QD1 LEU 55 - H VAL 117 lone 1 99 - 1 - QD2 LEU 4 - H VAL 117 lone 1 100 - 1 - QD1 ILE 56 - H VAL 117 lone 1 61 - 1 - QG2 ILE 56 - H VAL 117 lone 1 81 - 1 - Peak 742 from nnoeabs.peaks (8.12, 8.03, 118.42 ppm; 3.45 A): 3 out of 6 assignments used, quality = 0.82: * H VAL 117 + H ARG 118 OK 66 100 - 66 - 4.7=41, 4.0/7903=11...(8) H ALA 113 + H ARG 118 OK 38 100 - 38 - 1960=11, 6841/4.3=8...(8) H VAL 117 + H LYS 65 OK 15 68 - 22 - 1960=5, 4.0/7905=4...(7) H ALA 113 - H LYS 65 poor 9 67 - 14 - 1960=3, 2.9/11125=2...(4) H PHE 93 - H ARG 118 lone 1 65 - 1 - H PHE 93 - H LYS 65 lone 1 37 - 2 - Peak 743 from nnoeabs.peaks (3.26, 8.03, 118.42 ppm; 5.04 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 117 + H ARG 118 OK 100 100 - 100 - 3.6=100 Peak 744 from nnoeabs.peaks (2.05, 8.03, 118.42 ppm; 3.33 A): 4 out of 34 assignments used, quality = 0.81: * HB VAL 117 + H ARG 118 OK 71 100 - 71 - 4.4=43, 2.1/745=16...(9) HB VAL 117 + H LYS 65 OK 14 68 - 21 - 2.1/7905=5, 7903=5...(6) HB2 GLU 66 + H LYS 65 OK 13 62 - 21 - 3.7/398=9, 4.1/2089=3...(6) HB3 MET 67 + H LYS 65 OK 11 67 - 17 - 8121/3.6=7, 4.0/2089=3...(5) HB3 MET 67 - H ARG 118 lone 4 100 - 4 - HB2 GLU 66 - H ARG 118 lone 4 97 - 4 - 3.7/398=1 HB3 GLU 89 - H LYS 65 lone 3 62 - 5 - 4889/4.6=1 HB2 GLU 89 - H LYS 65 lone 3 62 - 5 - 4889/4.6=1 HB3 GLN 85 - H LYS 65 lone 2 62 - 3 - 4889/4.6=1 HB3 GLU 87 - H LYS 65 lone 2 62 - 3 - HB3 GLN 100 - H LYS 65 lone 2 68 - 2 - HB3 GLU 87 - H ARG 118 lone 1 97 - 1 - HB2 GLU 92 - H LYS 65 lone 1 64 - 2 - HB3 GLN 85 - H ARG 118 lone 1 97 - 1 - HB2 GLU 47 - H ARG 118 lone 1 94 - 1 - HB3 GLU 98 - H LYS 65 lone 1 64 - 1 - HB3 GLN 100 - H ARG 118 lone 1 100 - 1 - HB2 GLU 92 - H ARG 118 lone 1 98 - 1 - HB2 GLU 89 - H ARG 118 lone 1 97 - 1 - HB3 GLU 89 - H ARG 118 lone 1 97 - 1 - HB3 GLU 98 - H ARG 118 lone 1 98 - 1 - HB2 GLN 28 - H ARG 118 lone 1 77 - 1 - HB2 GLU 47 - H LYS 65 lone 0 59 - 1 - HB2 GLU 48 - H ARG 118 lone 0 97 - 0 - HB3 GLU 48 - H ARG 118 lone 0 97 - 0 - HG3 GLU 52 - H ARG 118 lone 0 100 - 0 - HB2 GLU 13 - H ARG 118 lone 0 70 - 1 - HG3 GLU 52 - H LYS 65 lone 0 67 - 1 - HB3 GLU 48 - H LYS 65 lone 0 62 - 1 - HB2 GLU 48 - H LYS 65 lone 0 62 - 1 - HB2 MET 1 - H ARG 118 lone 0 70 - 1 - HB2 MET 1 - H LYS 65 lone 0 40 - 1 - HB2 GLN 28 - H LYS 65 lone 0 45 - 1 - HB2 GLU 13 - H LYS 65 lone 0 40 - 1 - Peak 745 from nnoeabs.peaks (0.86, 8.03, 118.42 ppm; 3.28 A): 3 out of 22 assignments used, quality = 0.81: * QG2 VAL 117 + H ARG 118 OK 73 100 - 73 - 4.3=45, 2.1/744=16...(9) QG2 VAL 117 + H LYS 65 OK 18 68 - 27 - 2.1/7905=5, 10520/4.2=5...(7) QG2 VAL 107 + H LYS 65 OK 12 67 - 17 - 10307/3.0=4, 10297=3...(5) QG1 VAL 32 - H LYS 65 poor 8 67 - 13 - 9288/3.6=4, 9278/4.6=3...(4) QG2 VAL 107 - H ARG 118 lone 7 100 - 7 - HG13 ILE 57 - H ARG 118 lone 6 98 - 6 - 10542/2.9=2, 3.2/9579=1 QG2 VAL 22 - H ARG 118 lone 5 90 - 5 - 10849=1, 2.1/10848=1 QD1 LEU 14 - H ARG 118 lone 5 98 - 5 - 10542/2.9=1 QG2 THR 9 - H ARG 118 lone 4 100 - 4 - QD2 LEU 90 - H ARG 118 lone 3 70 - 4 - 11579/2213=2 QD2 LEU 90 - H LYS 65 lone 3 40 - 6 - 9696/4.6=1 QG1 VAL 32 - H ARG 118 lone 2 100 - 2 - HG13 ILE 5 - H ARG 118 lone 2 61 - 3 - 9563/4.4=1 QD1 LEU 14 - H LYS 65 lone 1 64 - 2 - QG2 ILE 15 - H ARG 118 lone 1 65 - 2 - HG13 ILE 57 - H LYS 65 lone 1 64 - 2 - QG2 THR 9 - H LYS 65 lone 1 67 - 2 - QG2 VAL 22 - H LYS 65 lone 1 55 - 2 - QG2 VAL 104 - H ARG 118 lone 0 61 - 1 - QG2 VAL 104 - H LYS 65 lone 0 34 - 1 - HG13 ILE 5 - H LYS 65 lone 0 34 - 1 - QG2 ILE 15 - H LYS 65 lone 0 37 - 1 - Peak 746 from nnoeabs.peaks (0.72, 8.03, 118.42 ppm; 3.50 A): 5 out of 22 assignments used, quality = 0.90: * QG1 VAL 117 + H ARG 118 OK 80 100 - 80 - 4.3=54, 2.1/7903=18...(11) QG1 VAL 117 + H LYS 65 OK 21 68 - 31 - 7905=7, 2.1/7904=5...(9) QD2 LEU 63 + H LYS 65 OK 15 52 - 29 - 4.8/1907=7, 9680/3.6=5...(8) QD2 LEU 81 + H ARG 118 OK 14 77 - 18 - 11696/3.6=6, 9947/4.7=4...(5) QD2 LEU 81 + H LYS 65 OK 13 45 - 28 - 2.1/11602=5, 9956/3.0=5...(12) QD1 LEU 6 - H LYS 65 poor 9 64 - 15 - 10964/4.2=3, 10961/3.6=3...(5) QD2 LEU 63 - H ARG 118 lone 8 87 - 9 - 4.8/1907=2, 4.0/8109=1...(4) QD1 ILE 57 - H ARG 118 lone 6 81 - 7 - 2.1/745=1, 3.0/9579=1...(4) QG2 ILE 18 - H ARG 118 lone 6 100 - 6 - ~11516=1, 10541/2.9=1 HG13 ILE 18 - H ARG 118 lone 6 96 - 6 - 10541/2.9=1 QD2 LEU 6 - H LYS 65 lone 4 48 - 8 - 10743/3.6=2, 10964/4.2=2 QD1 LEU 6 - H ARG 118 lone 4 98 - 4 - QD2 LEU 45 - H ARG 118 lone 3 99 - 3 - QD2 LEU 45 - H LYS 65 lone 3 66 - 4 - 7524/4.6=1 QG2 ILE 18 - H LYS 65 lone 2 67 - 3 - QG2 VAL 78 - H LYS 65 lone 2 66 - 3 - QD2 LEU 6 - H ARG 118 lone 2 81 - 2 - QD2 LEU 55 - H ARG 118 lone 2 77 - 2 - HG13 ILE 18 - H LYS 65 lone 2 61 - 3 - QD1 ILE 57 - H LYS 65 lone 2 48 - 3 - 3.0/9579=1 QG2 VAL 78 - H ARG 118 lone 1 99 - 1 - QD2 LEU 55 - H LYS 65 lone 1 45 - 1 - Peak 747 from nnoeabs.peaks (8.03, 7.92, 122.42 ppm; 3.40 A): 2 out of 7 assignments used, quality = 0.79: * H ARG 118 + H GLU 119 OK 74 100 - 74 - 4.6=39, 4.1/750=13...(11) H LYS 65 + H GLU 119 OK 19 87 - 21 - 1961=6, 1774/4.2=3...(8) H ASP 109 - H GLU 119 lone 2 92 - 2 - H VAL 22 - H GLU 119 lone 2 90 - 2 - H SER 72 - H GLU 119 lone 1 100 - 1 - H GLY 26 - H GLU 119 lone 1 98 - 1 - H THR 9 - H GLU 119 lone 1 65 - 1 - Peak 748 from nnoeabs.peaks (3.89, 7.92, 122.42 ppm; 4.58 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 118 + H GLU 119 OK 100 100 - 100 - 3.6=100 Peak 749 from nnoeabs.peaks (1.80, 7.92, 122.42 ppm; 3.97 A): 1 out of 9 assignments used, quality = 0.94: * HB2 ARG 118 + H GLU 119 OK 94 100 - 94 - 4.2=83, 1.8/10546=31...(6) HG2 ARG 105 - H GLU 119 lone 10 98 - 10 - 10273/10545=6, 3.0/750=2 HB2 LEU 64 - H GLU 119 lone 9 92 - 9 - 4.2/747=5, 8262/8266=2 HB3 ARG 105 - H GLU 119 lone 6 70 - 8 - 10272/10545=3, 1.8/750=3 HB ILE 97 - H GLU 119 lone 2 94 - 2 - 8262/8266=1 HG12 ILE 5 - H GLU 119 lone 2 96 - 2 - HB ILE 3 - H GLU 119 lone 1 97 - 1 - HB2 LYS 19 - H GLU 119 lone 1 90 - 1 - HB3 GLN 28 - H GLU 119 lone 1 73 - 1 - Peak 750 from nnoeabs.peaks (1.87, 7.92, 122.42 ppm; 3.55 A): 1 out of 12 assignments used, quality = 0.81: * HB3 ARG 118 + H GLU 119 OK 81 100 - 81 - 4.2=60, 1.8/749=23...(6) HB2 ARG 105 - H GLU 119 lone 7 81 - 8 - 11415/10545=3, 3.0/749=2 HB2 LYS 16 - H GLU 119 lone 5 94 - 5 - HB3 LYS 16 - H GLU 119 lone 5 92 - 5 - HB2 LEU 63 - H GLU 119 lone 4 100 - 4 - 3.1/10544=1 HG2 ARG 95 - H GLU 119 lone 3 99 - 3 - QE MET 67 - H GLU 119 lone 2 94 - 2 - HG LEU 45 - H GLU 119 lone 2 90 - 2 - HB2 LYS 20 - H GLU 119 lone 1 61 - 2 - HB3 LYS 20 - H GLU 119 lone 1 61 - 2 - QE MET 42 - H GLU 119 lone 1 99 - 1 - HG LEU 127 - H GLU 119 lone 0 84 - 1 - Peak 751 from nnoeabs.peaks (1.73, 7.92, 122.42 ppm; 4.41 A): 2 out of 10 assignments used, quality = 0.82: * HG2 ARG 118 + H GLU 119 OK 80 100 - 80 - 3.0/750=28, 3.0/749=27...(8) HB2 LEU 114 + H GLU 119 OK 10 98 - 11 - 6855/3.6=4, 1775/4.6=2 HB3 LEU 90 - H GLU 119 lone 7 97 - 8 - ~11573=2, 8168/3.0=2, ~8166=1 HG12 ILE 15 - H GLU 119 lone 3 100 - 3 - HB3 LYS 94 - H GLU 119 lone 3 98 - 3 - HB2 LYS 106 - H GLU 119 lone 2 84 - 3 - 4.0/1962=1 HB3 LEU 82 - H GLU 119 lone 2 97 - 2 - HB3 LYS 106 - H GLU 119 lone 2 77 - 3 - 4.0/1962=1 HB2 LEU 68 - H GLU 119 lone 2 65 - 3 - HD3 LYS 123 - H GLU 119 lone 1 61 - 2 - Peak 752 from nnoeabs.peaks (1.48, 7.92, 122.42 ppm; 5.41 A): 1 out of 8 assignments used, quality = 0.88: * HG3 ARG 118 + H GLU 119 OK 88 100 - 88 - 6856/3.6=36, 3.0/749=35...(7) HG3 LYS 20 - H GLU 119 lone 7 97 - 7 - 6856/3.6=2, 1776/4.6=2 HB3 LEU 45 - H GLU 119 lone 6 100 - 6 - 6856/3.6=1, 3.1/10544=1 HG3 LYS 73 - H GLU 119 lone 4 99 - 4 - HB3 LEU 14 - H GLU 119 lone 4 77 - 5 - 6856/3.6=2 HD2 LYS 53 - H GLU 119 lone 2 100 - 2 - HB2 LEU 74 - H GLU 119 lone 2 70 - 3 - HG2 ARG 30 - H GLU 119 lone 1 81 - 2 - Peak 755 from nnoeabs.peaks (7.92, 8.83, 119.60 ppm; 3.66 A): 1 out of 3 assignments used, quality = 0.75: * H GLU 119 + H PHE 120 OK 75 100 - 75 - 4.6=49, 4.6/2213=11...(10) H GLY 75 - H PHE 120 lone 3 97 - 3 - HD21 ASN 33 - H PHE 120 lone 1 57 - 1 - Peak 756 from nnoeabs.peaks (4.03, 8.83, 119.60 ppm; 3.70 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 119 + H PHE 120 OK 100 100 - 100 - 3.6=100 HA PHE 120 + H PHE 120 OK 99 99 - 100 - 3.0=100 Peak 757 from nnoeabs.peaks (2.12, 8.83, 119.60 ppm; 3.47 A): 3 out of 14 assignments used, quality = 0.94: * HB2 GLU 119 + H PHE 120 OK 74 100 - 74 - 4.6=42, 4.0/1962=19...(15) HB3 GLU 119 + H PHE 120 OK 74 100 - 74 - 4.6=42, 4.0/1962=19...(15) HB VAL 107 + H PHE 120 OK 15 100 - 15 - 4.0/11418=13 HB3 GLU 92 - H PHE 120 lone 3 92 - 3 - HB2 GLU 91 - H PHE 120 lone 2 96 - 2 - HG3 GLN 83 - H PHE 120 lone 2 100 - 2 - 1712/11418=1 HB2 LEU 38 - H PHE 120 lone 2 100 - 2 - HB2 GLU 21 - H PHE 120 lone 2 100 - 2 - HG2 GLU 21 - H PHE 120 lone 1 90 - 1 - HG2 GLU 41 - H PHE 120 lone 1 73 - 1 - HG3 GLU 21 - H PHE 120 lone 1 84 - 1 - HB2 GLU 111 - H PHE 120 lone 1 65 - 1 - HB3 GLU 47 - H PHE 120 lone 0 97 - 0 - HG2 GLU 52 - H PHE 120 lone 0 70 - 1 - Peak 758 from nnoeabs.peaks (2.11, 8.83, 119.60 ppm; 3.47 A): 3 out of 14 assignments used, quality = 0.94: * HB3 GLU 119 + H PHE 120 OK 74 100 - 74 - 4.6=42, 4.0/1962=19...(15) HB2 GLU 119 + H PHE 120 OK 74 100 - 74 - 4.6=42, 4.0/1962=19...(15) HB VAL 107 + H PHE 120 OK 15 100 - 15 - 4.0/11418=13 HB3 GLU 92 - H PHE 120 lone 3 97 - 3 - HB2 GLU 91 - H PHE 120 lone 2 90 - 2 - HG3 GLN 83 - H PHE 120 lone 2 100 - 2 - 1712/11418=1 HB2 LEU 38 - H PHE 120 lone 2 100 - 2 - HB2 GLU 21 - H PHE 120 lone 2 100 - 2 - HG2 GLU 21 - H PHE 120 lone 1 96 - 1 - HG3 GLU 21 - H PHE 120 lone 1 92 - 1 - HB2 GLU 111 - H PHE 120 lone 1 77 - 1 - HG2 GLU 41 - H PHE 120 lone 1 61 - 1 - HB3 GLU 47 - H PHE 120 lone 1 99 - 1 - HG2 GLU 52 - H PHE 120 lone 0 81 - 1 - Peak 759 from nnoeabs.peaks (2.08, 8.83, 119.60 ppm; 3.91 A): 3 out of 13 assignments used, quality = 0.85: * HG2 GLU 119 + H PHE 120 OK 70 100 - 70 - 6925/4.6=17, 6911/3.6=14...(15) HB3 MET 121 + H PHE 120 OK 41 100 - 41 - 4.0/761=22, 4.6/2230=9...(8) HB3 PHE 79 + H PHE 120 OK 17 100 - 17 - 11693/4.5=8, 10555/3.0=3...(4) HB2 LYS 94 - H PHE 120 lone 6 98 - 6 - ~10556=2, 10555/3.0=1 HB3 GLU 112 - H PHE 120 lone 6 97 - 6 - 1783/4.6=1 HB2 GLU 112 - H PHE 120 lone 6 96 - 6 - 1783/4.6=1, 10490/10554=1 HB2 GLU 103 - H PHE 120 lone 5 90 - 6 - 4702/4.5=2 HB3 GLU 66 - H PHE 120 lone 4 70 - 6 - 10555/3.0=1 HB3 GLU 91 - H PHE 120 lone 4 97 - 4 - HB2 GLU 87 - H PHE 120 lone 3 65 - 5 - 10056/11579=3 HB2 GLU 13 - H PHE 120 lone 3 87 - 3 - HB3 GLU 69 - H PHE 120 lone 2 84 - 3 - HB2 GLN 28 - H PHE 120 lone 1 81 - 2 - Peak 760 from nnoeabs.peaks (2.46, 8.83, 119.60 ppm; 5.97 A): 1 out of 7 assignments used, quality = 0.94: * HG3 GLU 119 + H PHE 120 OK 94 100 - 94 - 7917=40, 1.8/7916=39...(13) HB2 TYR 102 - H PHE 120 lone 6 84 - 7 - 4.6/1963=2 HB2 ASP 31 - H PHE 120 lone 5 96 - 5 - 1784/4.6=1 HB3 ASP 31 - H PHE 120 lone 5 94 - 5 - 1784/4.6=1 HG3 GLU 41 - H PHE 120 lone 5 100 - 4 - HG2 GLN 100 - H PHE 120 lone 2 65 - 3 - HG2 GLU 37 - H PHE 120 lone 2 70 - 2 - Peak 761 from nnoeabs.peaks (8.83, 8.32, 116.60 ppm; 3.85 A): 1 out of 3 assignments used, quality = 0.84: * H PHE 120 + H MET 121 OK 84 100 - 84 - 4.6=58, 4.0/764=19...(8) H SER 58 - H MET 121 lone 4 73 - 5 - H LYS 106 - H MET 121 lone 1 61 - 2 - Peak 762 from nnoeabs.peaks (4.02, 8.32, 116.60 ppm; 4.54 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 120 + H MET 121 OK 100 100 - 100 - 3.6=100 Peak 763 from nnoeabs.peaks (3.22, 8.32, 116.60 ppm; 4.08 A): 2 out of 4 assignments used, quality = 0.90: * HB2 PHE 120 + H MET 121 OK 88 100 - 88 - 4.6=72, 1.8/764=34...(4) HA ILE 15 + H MET 121 OK 16 100 - 16 - 1787/4.6=3, 3.9/10590=3...(6) HD2 ARG 95 - H MET 121 lone 2 99 - 2 - HD3 ARG 95 - H MET 121 lone 2 99 - 2 - Peak 764 from nnoeabs.peaks (2.34, 8.32, 116.60 ppm; 4.03 A): 1 out of 6 assignments used, quality = 0.86: * HB3 PHE 120 + H MET 121 OK 86 100 - 86 - 4.6=69, 1.8/763=30...(5) HG3 GLU 112 - H MET 121 lone 4 99 - 4 - 8278/2227=2, 3.0/1796=1 HG2 GLU 112 - H MET 121 lone 4 98 - 4 - 8278/2227=2, 3.0/1796=1 HG2 GLN 83 - H MET 121 lone 2 97 - 2 - HG2 GLU 13 - H MET 121 lone 1 65 - 1 - HG3 GLN 100 - H MET 121 lone 1 96 - 1 - Peak 768 from nnoeabs.peaks (6.79, 8.32, 116.60 ppm; 4.93 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 120 + H MET 121 OK 100 100 - 100 - 4.6=100 Peak 769 from nnoeabs.peaks (8.32, 8.05, 120.56 ppm; 3.74 A): 1 out of 2 assignments used, quality = 0.78: * H MET 121 + H GLN 122 OK 78 100 - 78 - 4.6=52, 4.0/771=19...(8) H GLU 103 - H GLN 122 lone 3 100 - 2 - Peak 770 from nnoeabs.peaks (3.93, 8.05, 120.56 ppm; 4.71 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 121 + H GLN 122 OK 100 100 - 100 - 3.6=100 Peak 771 from nnoeabs.peaks (2.29, 8.05, 120.56 ppm; 3.25 A): 1 out of 8 assignments used, quality = 0.58: * HB2 MET 121 + H GLN 122 OK 58 100 - 59 - 4.6=35, 4.0/769=16...(5) HG3 GLU 91 - H GLN 122 lone 5 100 - 5 - 5.2/566=2, 1.8/1804=1, 3.0/772=1 HG3 GLU 87 - H GLN 122 lone 5 99 - 5 - 4.0/8164=2, 5.0/2129=1 HG2 GLU 87 - H GLN 122 lone 5 99 - 5 - 4.0/8164=2, 5.0/2129=1 HG2 GLU 111 - H GLN 122 lone 1 100 - 1 - HG2 GLU 47 - H GLN 122 lone 1 99 - 1 - HB3 ASN 8 - H GLN 122 lone 1 70 - 1 - HG2 GLU 69 - H GLN 122 lone 1 70 - 1 - Peak 772 from nnoeabs.peaks (2.08, 8.05, 120.56 ppm; 4.16 A): 4 out of 13 assignments used, quality = 0.94: * HB3 MET 121 + H GLN 122 OK 91 100 - 91 - 4.6=73, 1.8/771=36...(6) HB3 GLU 66 + H GLN 122 OK 21 73 - 29 - 4.1/1965=5, 3.0/2231=4...(12) HG2 GLU 119 + H GLN 122 OK 15 100 - 15 - 4.1/8289=5, 7916/2230=4 HB3 GLU 91 + H GLN 122 OK 10 96 - 11 - 4.0/566=4, 3.0/771=3, 3.0/1804=2 HB2 GLU 87 - H GLN 122 poor 9 70 - 12 - 3.0/8164=4, 3.0/771=2...(4) HB3 PHE 79 - H GLN 122 lone 5 100 - 5 - 1796/4.6=2 HB3 GLU 69 - H GLN 122 lone 3 87 - 4 - HB3 GLU 112 - H GLN 122 lone 3 98 - 3 - HB2 GLU 112 - H GLN 122 lone 3 97 - 3 - HB2 LYS 94 - H GLN 122 lone 3 97 - 3 - 3.9/2233=1 HB2 GLU 103 - H GLN 122 lone 3 92 - 3 - HB2 GLU 13 - H GLN 122 lone 2 84 - 2 - HB2 GLN 28 - H GLN 122 lone 1 77 - 1 - Peak 773 from nnoeabs.peaks (1.92, 8.05, 120.56 ppm; 4.74 A): 3 out of 20 assignments used, quality = 0.95: * HG2 MET 121 + H GLN 122 OK 83 100 - 83 - 3.0/771=34, 4.6/769=28...(8) HB3 LYS 123 + H GLN 122 OK 56 100 - 57 - 3.7/1965=30, 4.4/2233=14...(7) HB2 LYS 123 + H GLN 122 OK 38 70 - 55 - 3.7/1965=30, 4.4/2233=14...(6) HB ILE 15 - H GLN 122 lone 7 100 - 7 - 1797/4.6=3, 6989/3.6=2 HB2 LYS 44 - H GLN 122 lone 5 98 - 5 - 1811/4.6=2 HB3 LYS 65 - H GLN 122 lone 5 73 - 7 - 4.7/398=2, 1811/4.6=1 HB2 LYS 65 - H GLN 122 lone 5 70 - 7 - 4.7/398=2, 1810/4.6=1 HB3 LYS 44 - H GLN 122 lone 4 90 - 5 - 1811/4.6=2 HB2 LEU 81 - H GLN 122 lone 4 100 - 4 - 1797/4.6=1 HB2 LYS 43 - H GLN 122 lone 3 92 - 3 - HB2 LEU 127 - H GLN 122 lone 3 73 - 4 - HB2 LEU 45 - H GLN 122 lone 3 84 - 3 - HB2 LYS 115 - H GLN 122 lone 3 90 - 3 - HB3 LYS 17 - H GLN 122 lone 2 99 - 2 - HB3 LYS 43 - H GLN 122 lone 2 73 - 3 - HB3 LYS 115 - H GLN 122 lone 2 70 - 3 - HB2 LYS 49 - H GLN 122 lone 2 65 - 3 - HB2 LYS 96 - H GLN 122 lone 2 73 - 2 - HB2 LYS 39 - H GLN 122 lone 2 70 - 2 - HB2 GLU 128 - H GLN 122 lone 2 73 - 2 - Peak 775 from nnoeabs.peaks (1.83, 8.05, 120.56 ppm; 5.23 A): 2 out of 10 assignments used, quality = 0.95: * QE MET 121 + H GLN 122 OK 92 100 - 92 - 7021/3.6=42, 7929=35...(10) HD2 LYS 123 + H GLN 122 OK 40 84 - 47 - 6.2/1965=20, 4.6/2231=11...(9) HB ILE 18 - H GLN 122 OK 16 94 - 17 - 6998/4.6=6, 6991/3.6=6 HB ILE 57 - H GLN 122 OK 11 97 - 12 - 2.1/9579=3, 6998/4.6=2...(5) HB2 LEU 14 - H GLN 122 lone 8 97 - 8 - 6991/3.6=3, 1799/4.6=2 HG LEU 70 - H GLN 122 lone 3 65 - 5 - 1814/4.6=1 HB3 LYS 19 - H GLN 122 lone 3 99 - 3 - HB3 LYS 77 - H GLN 122 lone 3 90 - 3 - HB2 LYS 77 - H GLN 122 lone 3 84 - 3 - HB3 ARG 105 - H GLN 122 lone 2 81 - 2 - Peak 776 from nnoeabs.peaks (8.05, 8.40, 121.61 ppm; 3.66 A): 2 out of 7 assignments used, quality = 0.81: * H GLN 122 + H LYS 123 OK 78 100 - 78 - 4.6=50, 4.6/2235=14...(13) H LYS 65 + H LYS 123 OK 13 73 - 17 - 2089=4, 4.6/1909=3...(6) H LEU 90 - H LYS 123 lone 7 97 - 7 - 4.6/2238=2, 2240/4.6=1 H THR 9 - H LYS 123 lone 2 92 - 2 - H VAL 22 - H LYS 123 lone 1 70 - 2 - H HIS 131 - H LYS 123 lone 1 99 - 1 - H ASP 109 - H LYS 123 lone 1 65 - 2 - Peak 777 from nnoeabs.peaks (4.13, 8.40, 121.61 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 122 + H LYS 123 OK 100 100 - 100 - 3.6=100 Peak 778 from nnoeabs.peaks (2.24, 8.40, 121.61 ppm; 3.66 A): 2 out of 4 assignments used, quality = 0.97: * HB2 GLN 122 + H LYS 123 OK 82 100 - 82 - 4.7=49, 4.0/1965=18...(14) HB3 GLN 122 + H LYS 123 OK 82 100 - 82 - 4.7=49, 4.0/1965=18...(14) HG2 GLU 103 - H LYS 123 lone 1 77 - 1 - HG2 GLN 28 - H LYS 123 lone 1 100 - 1 - Peak 779 from nnoeabs.peaks (2.24, 8.40, 121.61 ppm; 3.66 A): 2 out of 4 assignments used, quality = 0.97: HB2 GLN 122 + H LYS 123 OK 82 100 - 82 - 4.7=49, 4.0/1965=18...(14) * HB3 GLN 122 + H LYS 123 OK 82 100 - 82 - 4.7=49, 4.0/1965=18...(14) HG2 GLU 103 - H LYS 123 lone 1 77 - 1 - HG2 GLN 28 - H LYS 123 lone 1 100 - 1 - Peak 780 from nnoeabs.peaks (2.41, 8.40, 121.61 ppm; 4.87 A): 3 out of 9 assignments used, quality = 0.93: * HG2 GLN 122 + H LYS 123 OK 87 100 - 87 - 1.8/781=26, 5.1/1965=23...(13) HG2 GLU 66 + H LYS 123 OK 27 77 - 35 - 1.8/7635=8, 4.9/1909=5...(11) HG2 GLN 85 + H LYS 123 OK 23 100 - 23 - 7031/3.6=4, 7933=4...(8) HG3 GLN 85 - H LYS 123 OK 23 100 - 23 - 7031/3.6=4, 7933=4...(8) HG3 MET 67 - H LYS 123 OK 20 90 - 23 - 4941=6, 1.8/4934=4...(7) HG2 GLU 91 - H LYS 123 lone 8 90 - 9 - 5.2/2238=4, 7031/3.6=2 HG3 GLN 62 - H LYS 123 lone 8 98 - 8 - 7933=1, 7031/3.6=1...(4) HG2 GLN 62 - H LYS 123 lone 8 97 - 8 - 7933=1, 1.8/7933=1...(4) HB2 ASP 110 - H LYS 123 lone 2 92 - 2 - Peak 781 from nnoeabs.peaks (2.52, 8.40, 121.61 ppm; 5.57 A): 2 out of 2 assignments used, quality = 0.94: * HG3 GLN 122 + H LYS 123 OK 92 100 - 92 - 7934=33, 1805/4.6=31...(14) HG3 GLN 25 + H LYS 123 OK 19 100 - 19 - 7934=6, 1805/4.6=6...(5) Peak 784 from nnoeabs.peaks (8.40, 8.60, 121.87 ppm; 3.58 A): 2 out of 3 assignments used, quality = 0.79: * H LYS 123 + H ALA 124 OK 75 100 - 75 - 4.6=46, 10613/2.9=11...(9) H MET 67 + H ALA 124 OK 15 98 - 15 - 2.9/8143=4, 7097/4.7=3...(6) H ASP 36 - H ALA 124 lone 4 87 - 4 - 7097/4.7=1 Peak 785 from nnoeabs.peaks (4.03, 8.60, 121.87 ppm; 4.57 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 123 + H ALA 124 OK 100 100 - 100 - 3.6=100 Peak 786 from nnoeabs.peaks (1.93, 8.60, 121.87 ppm; 3.68 A): 2 out of 20 assignments used, quality = 0.82: * HB2 LYS 123 + H ALA 124 OK 74 100 - 74 - 4.4=57, 3.7/784=19...(8) HB2 LEU 127 + H ALA 124 OK 32 100 - 32 - ~8321=9, 8319/3.0=9...(6) HB2 LEU 70 - H ALA 124 lone 9 96 - 9 - 3.8/1913=2, 3.1/7657=2 HG2 MET 121 - H ALA 124 poor 9 70 - 12 - 4.1/2241=9, 1810/4.6=1 HB2 LYS 65 - H ALA 124 lone 8 100 - 8 - 1810/4.6=1, 8319/3.0=1 HB3 LYS 65 - H ALA 124 lone 8 100 - 8 - 1810/4.6=1, 8319/3.0=1 HB3 LYS 115 - H ALA 124 lone 4 100 - 4 - HB ILE 15 - H ALA 124 lone 4 61 - 6 - ~10619=2, ~10620=2 HB2 LYS 115 - H ALA 124 lone 4 98 - 4 - HB2 LYS 39 - H ALA 124 lone 3 100 - 3 - HB3 LYS 39 - H ALA 124 lone 2 81 - 3 - HB3 MET 42 - H ALA 124 lone 2 73 - 3 - 4.2/9405=1 HB3 LYS 40 - H ALA 124 lone 2 90 - 2 - HB3 LYS 17 - H ALA 124 lone 1 87 - 1 - HB VAL 104 - H ALA 124 lone 1 87 - 1 - HB2 LEU 81 - H ALA 124 lone 1 77 - 1 - HB3 GLU 41 - H ALA 124 lone 1 77 - 1 - HB2 GLU 41 - H ALA 124 lone 1 73 - 1 - HB3 GLU 52 - H ALA 124 lone 1 65 - 1 - HB VAL 29 - H ALA 124 lone 0 61 - 1 - Peak 787 from nnoeabs.peaks (1.91, 8.60, 121.87 ppm; 3.73 A): 4 out of 19 assignments used, quality = 0.86: * HB3 LYS 123 + H ALA 124 OK 77 100 - 77 - 4.4=60, 3.7/784=20...(8) HB2 LEU 127 + H ALA 124 OK 18 61 - 30 - ~8321=9, ~8322=9...(6) HB ILE 71 + H ALA 124 OK 15 65 - 23 - 2.1/5083=6, 5076=4...(8) HG2 MET 121 + H ALA 124 OK 14 100 - 14 - 4.1/2241=9, 1811/4.6=2 HB ILE 15 - H ALA 124 lone 7 100 - 7 - ~10619=2, ~10620=2 HB2 LYS 44 - H ALA 124 lone 7 100 - 7 - 8065/3.6=2, 1811/4.6=1 HB3 LYS 44 - H ALA 124 lone 6 96 - 7 - 8065/3.6=2, 1811/4.6=1 HB2 LYS 43 - H ALA 124 lone 6 97 - 6 - HB2 GLU 128 - H ALA 124 lone 5 84 - 6 - 10630/3.0=2, 10621/2.9=2 HB2 LEU 45 - H ALA 124 lone 5 92 - 5 - HB2 ARG 95 - H ALA 124 lone 5 70 - 7 - 3.9/593=1, 4.6/2163=1 HB3 LYS 43 - H ALA 124 lone 5 84 - 6 - HB2 LYS 73 - H ALA 124 lone 4 61 - 7 - 4.0/2125=1, ~10630=1 HB2 LYS 96 - H ALA 124 lone 4 84 - 5 - 4.1/2163=1 HB2 LYS 49 - H ALA 124 lone 4 77 - 5 - 1.8/4118=2 HB3 LYS 65 - H ALA 124 lone 3 61 - 5 - HB2 LYS 115 - H ALA 124 lone 2 81 - 3 - HB2 LEU 81 - H ALA 124 lone 2 99 - 2 - HB3 LYS 17 - H ALA 124 lone 1 96 - 1 - Peak 788 from nnoeabs.peaks (1.57, 8.60, 121.87 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 123 + H ALA 124 OK 100 100 - 100 - 4.7=100 Peak 789 from nnoeabs.peaks (1.70, 8.60, 121.87 ppm; 5.53 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 123 + H ALA 124 OK 100 100 - 100 - 4.7=100 Peak 794 from nnoeabs.peaks (8.60, 7.95, 104.75 ppm; 3.76 A): 1 out of 8 assignments used, quality = 0.63: * H ALA 124 + H GLY 125 OK 63 100 - 63 - 4.6=55, 4.6/2245=8...(4) H LYS 94 - H GLY 125 lone 3 99 - 3 - H ILE 71 - H GLY 125 lone 2 100 - 2 - H THR 108 - H GLY 125 lone 1 100 - 1 - H LEU 80 - H GLY 125 lone 1 100 - 1 - H GLN 85 - H GLY 125 lone 1 73 - 1 - H LYS 49 - H GLY 125 lone 1 98 - 1 - H ASP 12 - H GLY 125 lone 0 77 - 1 - Peak 795 from nnoeabs.peaks (4.14, 7.95, 104.75 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 124 + H GLY 125 OK 100 100 - 100 - 3.6=100 Peak 796 from nnoeabs.peaks (1.50, 7.95, 104.75 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: * QB ALA 124 + H GLY 125 OK 100 100 - 100 - 3.6=100 Peak 797 from nnoeabs.peaks (7.95, 7.86, 116.08 ppm; 3.90 A): 1 out of 5 assignments used, quality = 0.82: * H GLY 125 + H SER 126 OK 82 100 - 82 - 4.6=59, 3.0/798=18...(7) H GLU 91 - H SER 126 lone 7 94 - 7 - 4.6/2253=3, 2.9/799=1 H GLY 101 - H SER 126 lone 1 99 - 1 - HD21 ASN 33 - H SER 126 lone 1 90 - 1 - H LYS 53 - H SER 126 lone 0 84 - 1 - Peak 798 from nnoeabs.peaks (4.05, 7.86, 116.08 ppm; 3.16 A): 2 out of 9 assignments used, quality = 0.94: * HA2 GLY 125 + H SER 126 OK 79 100 - 79 - 3.6=70, 3.0/1968=18...(6) HA3 GLY 125 + H SER 126 OK 71 90 - 79 - 3.6=70, 3.0/1968=18...(6) HA GLU 92 - H SER 126 lone 3 57 - 5 - 3.0/2253=2, ~8331=1 HA LYS 44 - H SER 126 lone 1 94 - 1 - HA LYS 96 - H SER 126 lone 1 84 - 1 - HA GLU 69 - H SER 126 lone 1 100 - 1 - HA SER 35 - H SER 126 lone 0 98 - 0 - HA GLU 37 - H SER 126 lone 0 97 - 0 - HA GLU 87 - H SER 126 lone 0 70 - 0 - Peak 799 from nnoeabs.peaks (4.06, 7.86, 116.08 ppm; 3.16 A): 2 out of 8 assignments used, quality = 0.94: * HA3 GLY 125 + H SER 126 OK 80 100 - 80 - 3.6=70, 3.0/1968=18...(6) HA2 GLY 125 + H SER 126 OK 71 90 - 79 - 3.6=70, 3.0/1968=18...(6) HA GLU 91 - H SER 126 lone 5 92 - 5 - 3.6/2253=2, 2.9/797=1 HA LYS 96 - H SER 126 lone 2 100 - 2 - HA LYS 44 - H SER 126 lone 1 100 - 1 - HA GLU 69 - H SER 126 lone 1 96 - 1 - HA GLU 37 - H SER 126 lone 0 99 - 0 - HA SER 35 - H SER 126 lone 0 70 - 0 - Peak 800 from nnoeabs.peaks (7.86, 7.88, 122.37 ppm; 2.53 A): 1 out of 4 assignments used, quality = 0.57: * H SER 126 + H LEU 127 OK 57 100 - 57 - 1969=46, 4.0/7949=5...(7) H ASP 60 - H LEU 127 lone 1 99 - 1 - H TYR 27 - H LEU 127 lone 0 73 - 0 - HE21 GLN 62 - H LEU 127 lone 0 81 - 0 - Peak 801 from nnoeabs.peaks (4.45, 7.88, 122.37 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 126 + H LEU 127 OK 100 100 - 100 - 3.6=100 Peak 802 from nnoeabs.peaks (4.02, 7.88, 122.37 ppm; 3.66 A): 2 out of 12 assignments used, quality = 0.96: * HB2 SER 126 + H LEU 127 OK 81 100 - 81 - 4.5=54, 4.0/800=27...(7) HB3 SER 126 + H LEU 127 OK 78 97 - 80 - 4.5=54, 4.0/800=27...(7) HA LYS 123 - H LEU 127 lone 10 100 - 10 - 8311/4.6=5, 2.9/1830=1 HA GLU 92 - H LEU 127 lone 9 94 - 9 - 3.0/1970=4, 8311/4.6=3 HA LYS 40 - H LEU 127 lone 2 100 - 2 - HA PHE 120 - H LEU 127 lone 2 100 - 2 - HA GLU 66 - H LEU 127 lone 1 100 - 1 - HA GLU 13 - H LEU 127 lone 1 100 - 1 - HA GLU 119 - H LEU 127 lone 1 99 - 1 - HA GLU 87 - H LEU 127 lone 1 87 - 1 - HA3 GLY 75 - H LEU 127 lone 0 90 - 1 - HA3 GLY 101 - H LEU 127 lone 0 81 - 1 - Peak 803 from nnoeabs.peaks (4.03, 7.88, 122.37 ppm; 3.66 A): 2 out of 12 assignments used, quality = 0.96: * HB3 SER 126 + H LEU 127 OK 80 100 - 80 - 4.5=54, 4.0/800=27...(7) HB2 SER 126 + H LEU 127 OK 78 97 - 80 - 4.5=54, 4.0/800=27...(7) HA LYS 123 - H LEU 127 lone 9 99 - 10 - 8311/4.6=5, 2.9/1830=1 HA GLU 92 - H LEU 127 lone 9 100 - 9 - 3.0/1970=4, 8311/4.6=3 HA LYS 40 - H LEU 127 lone 2 96 - 2 - HA PHE 120 - H LEU 127 lone 2 96 - 2 - HA GLU 66 - H LEU 127 lone 1 99 - 1 - HA GLU 87 - H LEU 127 lone 1 99 - 1 - HA GLU 13 - H LEU 127 lone 1 99 - 1 - HA GLU 119 - H LEU 127 lone 1 100 - 1 - HA SER 35 - H LEU 127 lone 0 73 - 1 - HA3 GLY 75 - H LEU 127 lone 0 65 - 1 - Peak 804 from nnoeabs.peaks (7.88, 8.08, 119.78 ppm; 3.54 A): 1 out of 2 assignments used, quality = 0.82: * H LEU 127 + H GLU 128 OK 82 100 - 82 - 4.6=45, 4.0/806=19...(14) HD21 ASN 88 - H GLU 128 lone 2 96 - 2 - Peak 805 from nnoeabs.peaks (4.28, 8.08, 119.78 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 127 + H GLU 128 OK 100 100 - 100 - 3.6=100 Peak 806 from nnoeabs.peaks (1.93, 8.08, 119.78 ppm; 3.03 A): 1 out of 20 assignments used, quality = 0.71: * HB2 LEU 127 + H GLU 128 OK 71 100 - 71 - 4.2=39, 1.8/807=16...(6) HB2 LYS 123 - H GLU 128 lone 2 100 - 3 - HB2 LEU 70 - H GLU 128 lone 2 94 - 2 - HB3 GLU 41 - H GLU 128 lone 1 73 - 2 - HB2 GLU 41 - H GLU 128 lone 1 70 - 2 - HB3 LYS 40 - H GLU 128 lone 1 87 - 1 - HB3 LYS 123 - H GLU 128 lone 1 61 - 1 - HB2 LYS 65 - H GLU 128 lone 1 100 - 1 - HB3 LYS 65 - H GLU 128 lone 1 100 - 1 - HB2 LYS 39 - H GLU 128 lone 1 100 - 1 - HG2 MET 121 - H GLU 128 lone 1 73 - 1 - HB3 MET 42 - H GLU 128 lone 1 70 - 1 - HB3 LYS 115 - H GLU 128 lone 0 100 - 0 - HB2 LYS 115 - H GLU 128 lone 0 99 - 0 - HB VAL 104 - H GLU 128 lone 0 84 - 1 - HB ILE 15 - H GLU 128 lone 0 65 - 1 - HB3 LYS 39 - H GLU 128 lone 0 77 - 1 - HB2 LEU 81 - H GLU 128 lone 0 81 - 0 - HB3 LYS 17 - H GLU 128 lone 0 90 - 0 - HB3 GLU 52 - H GLU 128 lone 0 61 - 0 - Peak 807 from nnoeabs.peaks (1.61, 8.08, 119.78 ppm; 3.99 A): 1 out of 14 assignments used, quality = 0.98: * HB3 LEU 127 + H GLU 128 OK 98 100 - 98 - 4.2=89, 1.8/806=39...(7) HD3 LYS 77 - H GLU 128 poor 9 92 - 10 - 11286/4.8=5, 1831/4.6=1...(5) HD2 LYS 77 - H GLU 128 lone 9 90 - 10 - 11286/4.8=5, 1831/4.6=1...(5) HG LEU 63 - H GLU 128 lone 6 97 - 6 - 3.7/2264=2, 3.0/808=1 HB3 LEU 64 - H GLU 128 lone 2 73 - 2 - HG3 LYS 40 - H GLU 128 lone 2 97 - 2 - HG2 LYS 73 - H GLU 128 lone 1 73 - 2 - HG2 LYS 16 - H GLU 128 lone 1 81 - 1 - HB2 LEU 82 - H GLU 128 lone 1 96 - 1 - HB ILE 116 - H GLU 128 lone 1 70 - 1 - HG LEU 82 - H GLU 128 lone 1 77 - 1 - HG3 LYS 19 - H GLU 128 lone 0 70 - 1 - HD3 LYS 19 - H GLU 128 lone 0 61 - 1 - HD2 LYS 19 - H GLU 128 lone 0 61 - 1 - Peak 808 from nnoeabs.peaks (1.86, 8.08, 119.78 ppm; 3.74 A): 1 out of 10 assignments used, quality = 0.75: * HG LEU 127 + H GLU 128 OK 75 100 - 75 - 3.0/806=29, 2.1/809=27...(6) HG2 ARG 95 - H GLU 128 poor 7 65 - 11 - 3.0/1837=3, 4.1/2264=3 HB2 LYS 77 - H GLU 128 lone 5 77 - 6 - 3.6/807=2, 3.6/807=2 HB3 LYS 77 - H GLU 128 lone 4 70 - 6 - 3.6/807=2, 3.6/807=2 HB2 LEU 63 - H GLU 128 lone 4 84 - 5 - 3.0/2264=2, 3.0/807=1 HG LEU 70 - H GLU 128 lone 4 92 - 4 - 3.6/2264=1 QE MET 42 - H GLU 128 lone 2 96 - 2 - HD2 LYS 123 - H GLU 128 lone 2 77 - 3 - HB2 ARG 105 - H GLU 128 lone 1 100 - 1 - HB3 ARG 118 - H GLU 128 lone 0 84 - 1 - Peak 809 from nnoeabs.peaks (0.93, 8.08, 119.78 ppm; 4.25 A): 1 out of 4 assignments used, quality = 0.96: * QD2 LEU 127 + H GLU 128 OK 96 100 - 96 - 4.8=69, 7210/3.6=35...(7) HG13 ILE 97 - H GLU 128 lone 3 98 - 3 - QG1 VAL 104 - H GLU 128 lone 1 100 - 1 - HG3 LYS 53 - H GLU 128 lone 1 99 - 1 - Peak 810 from nnoeabs.peaks (1.01, 8.08, 119.78 ppm; 4.70 A): 1 out of 4 assignments used, quality = 0.99: * QD1 LEU 127 + H GLU 128 OK 99 100 - 99 - 4.8=93, 2.1/809=40...(7) HG12 ILE 97 - H GLU 128 lone 3 94 - 3 - 1.8/809=1 HG13 ILE 71 - H GLU 128 lone 2 92 - 2 - HG2 LYS 61 - H GLU 128 lone 1 70 - 1 - Peak 823 from nnoeabs.peaks (5.90, 7.37, 107.51 ppm; 3.96 A): 1 out of 1 assignment used, quality = 0.82: * HA ASN 8 + HD21 ASN 8 OK 82 100 - 82 - 4.5=67, 829/1.7=34...(5) Peak 824 from nnoeabs.peaks (2.89, 7.37, 107.51 ppm; 4.52 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 8 + HD21 ASN 8 OK 100 100 - 100 - 3.5=100 Peak 825 from nnoeabs.peaks (2.27, 7.37, 107.51 ppm; 4.74 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 8 + HD21 ASN 8 OK 100 100 - 100 - 3.5=100 Peak 826 from nnoeabs.peaks (7.37, 7.37, 107.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 8 + HD21 ASN 8 OK 100 100 - 100 Peak 827 from nnoeabs.peaks (6.25, 7.37, 107.51 ppm; 2.85 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 8 + HD21 ASN 8 OK 100 100 - 100 - 1.7=100 Peak 829 from nnoeabs.peaks (5.90, 6.25, 107.51 ppm; 4.28 A): 1 out of 1 assignment used, quality = 0.93: * HA ASN 8 + HD22 ASN 8 OK 93 100 - 93 - 4.5=85, 823/1.7=43...(5) Peak 830 from nnoeabs.peaks (2.89, 6.25, 107.51 ppm; 4.78 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 8 + HD22 ASN 8 OK 100 100 - 100 - 3.5=100 Peak 831 from nnoeabs.peaks (2.27, 6.25, 107.51 ppm; 5.00 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 8 + HD22 ASN 8 OK 100 100 - 100 - 3.5=100 Peak 832 from nnoeabs.peaks (7.37, 6.25, 107.51 ppm; 2.83 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 8 + HD22 ASN 8 OK 100 100 - 100 - 1.7=100 Peak 833 from nnoeabs.peaks (6.25, 6.25, 107.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 8 + HD22 ASN 8 OK 100 100 - 100 Peak 835 from nnoeabs.peaks (4.97, 7.64, 111.46 ppm; 4.80 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 10 + HD21 ASN 10 OK 100 100 - 100 - 4.4=100 Peak 836 from nnoeabs.peaks (2.91, 7.64, 111.46 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 10 + HD21 ASN 10 OK 100 100 - 100 - 3.5=100 Peak 837 from nnoeabs.peaks (2.82, 7.64, 111.46 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 10 + HD21 ASN 10 OK 100 100 - 100 - 3.5=100 Peak 838 from nnoeabs.peaks (7.64, 7.64, 111.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 10 + HD21 ASN 10 OK 100 100 - 100 Peak 839 from nnoeabs.peaks (6.93, 7.64, 111.46 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 10 + HD21 ASN 10 OK 100 100 - 100 - 1.7=100 Peak 841 from nnoeabs.peaks (4.97, 6.93, 111.46 ppm; 5.46 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 10 + HD22 ASN 10 OK 100 100 - 100 - 4.4=100 Peak 842 from nnoeabs.peaks (2.91, 6.93, 111.46 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 10 + HD22 ASN 10 OK 100 100 - 100 - 3.5=100 Peak 843 from nnoeabs.peaks (2.82, 6.93, 111.46 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 10 + HD22 ASN 10 OK 100 100 - 100 - 3.5=100 Peak 844 from nnoeabs.peaks (7.64, 6.93, 111.46 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 10 + HD22 ASN 10 OK 100 100 - 100 - 1.7=100 Peak 845 from nnoeabs.peaks (6.93, 6.93, 111.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 10 + HD22 ASN 10 OK 100 100 - 100 Peak 847 from nnoeabs.peaks (4.69, 7.33, 114.07 ppm; 5.63 A): 2 out of 2 assignments used, quality = 1.00: * HA ASN 11 + HD21 ASN 11 OK 100 100 - 100 - 4.4=100 HA ASN 11 + HD22 ASN 11 OK 100 100 - 100 - 4.4=100 Peak 850 from nnoeabs.peaks (7.33, 7.33, 114.07 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD21 ASN 11 + HD21 ASN 11 OK 100 100 - 100 HD22 ASN 11 + HD22 ASN 11 OK 100 100 - 100 Peak 852 from nnoeabs.peaks (8.37, 7.33, 114.07 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * H ASN 11 + HD22 ASN 11 OK 100 100 - 100 - 5.6=100 H ASN 11 + HD21 ASN 11 OK 100 100 - 100 - 5.6=100 Peak 854 from nnoeabs.peaks (3.03, 7.33, 114.07 ppm; 4.28 A): 2 out of 2 assignments used, quality = 1.00: * HB2 ASN 11 + HD22 ASN 11 OK 100 100 - 100 - 3.5=100 HB2 ASN 11 + HD21 ASN 11 OK 100 100 - 100 - 3.5=100 Peak 855 from nnoeabs.peaks (2.74, 7.33, 114.07 ppm; 3.90 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ASN 11 + HD22 ASN 11 OK 100 100 - 100 - 3.5=100 HB3 ASN 11 + HD21 ASN 11 OK 100 100 - 100 - 3.5=100 Peak 857 from nnoeabs.peaks (7.33, 7.33, 114.07 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD22 ASN 11 + HD22 ASN 11 OK 100 100 - 100 HD21 ASN 11 + HD21 ASN 11 OK 100 100 - 100 Peak 859 from nnoeabs.peaks (4.72, 7.69, 112.83 ppm; 5.16 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 24 + HD21 ASN 24 OK 100 100 - 100 - 4.4=100 Peak 860 from nnoeabs.peaks (2.97, 7.69, 112.83 ppm; 3.32 A): 2 out of 16 assignments used, quality = 0.98: * HB2 ASN 24 + HD21 ASN 24 OK 85 100 - 85 - 3.5=85, 11324/11539=1 HB3 ASN 24 + HD21 ASN 24 OK 85 100 - 85 - 3.5=85, 11324/11539=1 HD3 ARG 118 - HD21 ASN 24 lone 1 99 - 1 - HE3 LYS 40 - HD21 ASN 24 lone 0 100 - 0 - HE2 LYS 40 - HD21 ASN 24 lone 0 100 - 0 - HE3 LYS 20 - HD21 ASN 24 lone 0 100 - 0 - HE2 LYS 20 - HD21 ASN 24 lone 0 100 - 0 - HB3 PHE 51 - HD21 ASN 24 lone 0 100 - 0 - HE3 LYS 43 - HD21 ASN 24 lone 0 96 - 0 - HE3 LYS 73 - HD21 ASN 24 lone 0 92 - 0 - HE2 LYS 39 - HD21 ASN 24 lone 0 87 - 0 - HE2 LYS 43 - HD21 ASN 24 lone 0 84 - 0 - HE3 LYS 39 - HD21 ASN 24 lone 0 81 - 0 - HE3 LYS 106 - HD21 ASN 24 lone 0 81 - 0 - HE2 LYS 73 - HD21 ASN 24 lone 0 77 - 0 - HE2 LYS 106 - HD21 ASN 24 lone 0 77 - 0 - Peak 861 from nnoeabs.peaks (2.97, 7.69, 112.83 ppm; 3.32 A): 2 out of 16 assignments used, quality = 0.98: HB2 ASN 24 + HD21 ASN 24 OK 85 100 - 85 - 3.5=85, 11324/11539=1 * HB3 ASN 24 + HD21 ASN 24 OK 85 100 - 85 - 3.5=85, 11324/11539=1 HD3 ARG 118 - HD21 ASN 24 lone 1 99 - 1 - HE3 LYS 40 - HD21 ASN 24 lone 0 100 - 0 - HE2 LYS 40 - HD21 ASN 24 lone 0 100 - 0 - HE3 LYS 20 - HD21 ASN 24 lone 0 100 - 0 - HE2 LYS 20 - HD21 ASN 24 lone 0 100 - 0 - HB3 PHE 51 - HD21 ASN 24 lone 0 100 - 0 - HE3 LYS 43 - HD21 ASN 24 lone 0 96 - 0 - HE3 LYS 73 - HD21 ASN 24 lone 0 92 - 0 - HE2 LYS 39 - HD21 ASN 24 lone 0 87 - 0 - HE2 LYS 43 - HD21 ASN 24 lone 0 84 - 0 - HE3 LYS 39 - HD21 ASN 24 lone 0 81 - 0 - HE3 LYS 106 - HD21 ASN 24 lone 0 81 - 0 - HE2 LYS 73 - HD21 ASN 24 lone 0 77 - 0 - HE2 LYS 106 - HD21 ASN 24 lone 0 77 - 0 - Peak 862 from nnoeabs.peaks (7.69, 7.69, 112.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 24 + HD21 ASN 24 OK 100 100 - 100 Peak 863 from nnoeabs.peaks (6.94, 7.69, 112.83 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 24 + HD21 ASN 24 OK 100 100 - 100 - 1.7=100 Peak 865 from nnoeabs.peaks (4.72, 6.94, 112.83 ppm; 6.06 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 24 + HD22 ASN 24 OK 100 100 - 100 - 4.4=100 Peak 866 from nnoeabs.peaks (2.97, 6.94, 112.83 ppm; 3.65 A): 2 out of 2 assignments used, quality = 1.00: HB3 ASN 24 + HD22 ASN 24 OK 100 100 - 100 - 3.5=100 * HB2 ASN 24 + HD22 ASN 24 OK 100 100 - 100 - 3.5=100 Peak 867 from nnoeabs.peaks (2.97, 6.94, 112.83 ppm; 3.65 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ASN 24 + HD22 ASN 24 OK 100 100 - 100 - 3.5=100 HB2 ASN 24 + HD22 ASN 24 OK 100 100 - 100 - 3.5=100 Peak 868 from nnoeabs.peaks (7.69, 6.94, 112.83 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 24 + HD22 ASN 24 OK 100 100 - 100 - 1.7=100 Peak 869 from nnoeabs.peaks (6.94, 6.94, 112.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 24 + HD22 ASN 24 OK 100 100 - 100 Peak 870 from nnoeabs.peaks (9.55, 7.94, 114.61 ppm; 4.92 A): 1 out of 1 assignment used, quality = 0.94: * H ASN 33 + HD21 ASN 33 OK 94 100 - 94 - 5.4=76, 876/1.7=41...(6) Peak 871 from nnoeabs.peaks (4.98, 7.94, 114.61 ppm; 5.06 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 33 + HD21 ASN 33 OK 100 100 - 100 - 4.5=100 Peak 872 from nnoeabs.peaks (2.91, 7.94, 114.61 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 33 + HD21 ASN 33 OK 100 100 - 100 - 3.5=100 Peak 873 from nnoeabs.peaks (2.69, 7.94, 114.61 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 33 + HD21 ASN 33 OK 100 100 - 100 - 3.5=100 Peak 874 from nnoeabs.peaks (7.94, 7.94, 114.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 33 + HD21 ASN 33 OK 100 100 - 100 Peak 875 from nnoeabs.peaks (7.02, 7.94, 114.61 ppm; 2.53 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 33 + HD21 ASN 33 OK 100 100 - 100 - 1.7=100 Peak 876 from nnoeabs.peaks (9.55, 7.02, 114.61 ppm; 4.80 A): 1 out of 2 assignments used, quality = 0.92: * H ASN 33 + HD22 ASN 33 OK 92 100 - 92 - 5.4=70, 1212/1.7=39...(6) H ASN 33 - HD22 ASN 88 lone 1 48 - 2 - Peak 877 from nnoeabs.peaks (4.98, 7.02, 114.61 ppm; 5.12 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 33 + HD22 ASN 33 OK 100 100 - 100 - 4.5=100 Peak 878 from nnoeabs.peaks (2.91, 7.02, 114.61 ppm; 3.95 A): 2 out of 2 assignments used, quality = 1.00: * HB2 ASN 33 + HD22 ASN 33 OK 100 100 - 100 - 3.5=100 HB3 ASN 88 + HD22 ASN 88 OK 46 46 - 100 - 3.5=100 Peak 879 from nnoeabs.peaks (2.69, 7.02, 114.61 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 33 + HD22 ASN 33 OK 100 100 - 100 - 3.5=100 Peak 880 from nnoeabs.peaks (7.94, 7.02, 114.61 ppm; 2.43 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 33 + HD22 ASN 33 OK 100 100 - 100 - 1.7=100 Peak 881 from nnoeabs.peaks (7.02, 7.02, 114.61 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 33 + HD22 ASN 33 OK 100 100 - 100 HD22 ASN 88 - HD22 ASN 88 OK 43 43 - 100 Peak 883 from nnoeabs.peaks (4.62, 7.63, 113.38 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 50 + HD21 ASN 50 OK 100 100 - 100 - 4.4=100 Peak 884 from nnoeabs.peaks (2.71, 7.63, 113.38 ppm; 3.49 A): 2 out of 6 assignments used, quality = 1.00: * HB2 ASN 50 + HD21 ASN 50 OK 100 100 - 100 - 3.5=100 HB3 ASN 50 + HD21 ASN 50 OK 100 100 - 100 - 3.5=100 HE2 LYS 19 - HD21 ASN 50 lone 0 97 - 0 - HE3 LYS 19 - HD21 ASN 50 lone 0 97 - 0 - HE3 LYS 53 - HD21 ASN 50 lone 0 90 - 0 - HB3 ASN 33 - HD21 ASN 50 lone 0 70 - 0 - Peak 885 from nnoeabs.peaks (2.71, 7.63, 113.38 ppm; 3.49 A): 2 out of 6 assignments used, quality = 1.00: * HB3 ASN 50 + HD21 ASN 50 OK 100 100 - 100 - 3.5=100 HB2 ASN 50 + HD21 ASN 50 OK 100 100 - 100 - 3.5=100 HE3 LYS 53 - HD21 ASN 50 lone 0 92 - 0 - HE2 LYS 19 - HD21 ASN 50 lone 0 96 - 0 - HE3 LYS 19 - HD21 ASN 50 lone 0 96 - 0 - HB3 ASN 33 - HD21 ASN 50 lone 0 65 - 0 - Peak 886 from nnoeabs.peaks (7.63, 7.63, 113.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 50 + HD21 ASN 50 OK 100 100 - 100 Peak 887 from nnoeabs.peaks (6.88, 7.63, 113.38 ppm; 2.42 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 50 + HD21 ASN 50 OK 100 100 - 100 - 1.7=100 Peak 889 from nnoeabs.peaks (4.62, 6.88, 113.38 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 50 + HD22 ASN 50 OK 100 100 - 100 - 4.4=100 Peak 890 from nnoeabs.peaks (2.71, 6.88, 113.38 ppm; 3.99 A): 2 out of 2 assignments used, quality = 1.00: * HB2 ASN 50 + HD22 ASN 50 OK 100 100 - 100 - 3.5=100 HB3 ASN 50 + HD22 ASN 50 OK 100 100 - 100 - 3.5=100 Peak 891 from nnoeabs.peaks (2.71, 6.88, 113.38 ppm; 3.99 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ASN 50 + HD22 ASN 50 OK 100 100 - 100 - 3.5=100 HB2 ASN 50 + HD22 ASN 50 OK 100 100 - 100 - 3.5=100 Peak 892 from nnoeabs.peaks (7.63, 6.88, 113.38 ppm; 2.54 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 50 + HD22 ASN 50 OK 100 100 - 100 - 1.7=100 Peak 893 from nnoeabs.peaks (6.88, 6.88, 113.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 50 + HD22 ASN 50 OK 100 100 - 100 Peak 895 from nnoeabs.peaks (4.71, 7.52, 109.57 ppm; 4.85 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 59 + HD21 ASN 59 OK 100 100 - 100 - 4.5=100 Peak 896 from nnoeabs.peaks (3.01, 7.52, 109.57 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 59 + HD21 ASN 59 OK 100 100 - 100 - 3.5=100 Peak 897 from nnoeabs.peaks (2.87, 7.52, 109.57 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 59 + HD21 ASN 59 OK 100 100 - 100 - 3.5=100 Peak 898 from nnoeabs.peaks (7.52, 7.52, 109.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 59 + HD21 ASN 59 OK 100 100 - 100 Peak 899 from nnoeabs.peaks (6.75, 7.52, 109.57 ppm; 2.45 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 59 + HD21 ASN 59 OK 100 100 - 100 - 1.7=100 Peak 901 from nnoeabs.peaks (4.71, 6.75, 109.57 ppm; 6.05 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 59 + HD22 ASN 59 OK 100 100 - 100 - 4.5=100 Peak 902 from nnoeabs.peaks (3.01, 6.75, 109.57 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 59 + HD22 ASN 59 OK 100 100 - 100 - 3.5=100 Peak 903 from nnoeabs.peaks (2.87, 6.75, 109.57 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 59 + HD22 ASN 59 OK 100 100 - 100 - 3.5=100 Peak 904 from nnoeabs.peaks (7.52, 6.75, 109.57 ppm; 2.46 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 59 + HD22 ASN 59 OK 100 100 - 100 - 1.7=100 Peak 905 from nnoeabs.peaks (6.75, 6.75, 109.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 59 + HD22 ASN 59 OK 100 100 - 100 Peak 906 from nnoeabs.peaks (8.53, 7.89, 114.32 ppm; 4.92 A): 1 out of 3 assignments used, quality = 0.86: * H ASN 88 + HD21 ASN 88 OK 86 100 - 86 - 5.7=63, 1580/3.5=40, 5739/3.5=36 H LYS 19 - HD21 ASN 88 lone 4 99 - 4 - 5733/3.5=1, 5739/3.5=1 H ILE 57 - HD21 ASN 88 lone 2 81 - 2 - Peak 907 from nnoeabs.peaks (4.56, 7.89, 114.32 ppm; 4.97 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 88 + HD21 ASN 88 OK 100 100 - 100 - 4.3=100 Peak 908 from nnoeabs.peaks (2.85, 7.89, 114.32 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 88 + HD21 ASN 88 OK 100 100 - 100 - 3.5=100 Peak 909 from nnoeabs.peaks (2.90, 7.89, 114.32 ppm; 3.42 A): 1 out of 13 assignments used, quality = 0.93: * HB3 ASN 88 + HD21 ASN 88 OK 93 100 - 93 - 3.5=92, 4.0/906=12 HB2 ASP 34 - HD21 ASN 88 lone 1 99 - 1 - HB2 ASN 8 - HD21 ASN 88 lone 1 81 - 1 - HE3 LYS 17 - HD21 ASN 88 lone 1 99 - 1 - HB2 ASN 33 - HD21 ASN 88 lone 0 99 - 0 - HE2 LYS 16 - HD21 ASN 88 lone 0 99 - 0 - HE3 LYS 16 - HD21 ASN 88 lone 0 99 - 0 - HE2 LYS 115 - HD21 ASN 88 lone 0 99 - 0 - HE3 LYS 115 - HD21 ASN 88 lone 0 99 - 0 - HB2 ASN 10 - HD21 ASN 88 lone 0 100 - 0 - HE2 LYS 65 - HD21 ASN 88 lone 0 90 - 0 - HE3 LYS 65 - HD21 ASN 88 lone 0 90 - 0 - HE3 LYS 94 - HD21 ASN 88 lone 0 87 - 0 - Peak 910 from nnoeabs.peaks (7.89, 7.89, 114.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 88 + HD21 ASN 88 OK 100 100 - 100 Peak 911 from nnoeabs.peaks (7.03, 7.89, 114.32 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 88 + HD21 ASN 88 OK 100 100 - 100 - 1.7=100 Peak 912 from nnoeabs.peaks (8.53, 7.03, 114.32 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 88 + HD22 ASN 88 OK 100 100 - 100 - 5.7=100 Peak 913 from nnoeabs.peaks (4.56, 7.03, 114.32 ppm; 5.37 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 88 + HD22 ASN 88 OK 100 100 - 100 - 4.3=100 Peak 914 from nnoeabs.peaks (2.85, 7.03, 114.32 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 88 + HD22 ASN 88 OK 100 100 - 100 - 3.5=100 Peak 915 from nnoeabs.peaks (2.90, 7.03, 114.32 ppm; 3.73 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ASN 88 + HD22 ASN 88 OK 100 100 - 100 - 3.5=100 HB2 ASN 33 + HD22 ASN 33 OK 46 46 - 100 - 3.5=100 Peak 916 from nnoeabs.peaks (7.89, 7.03, 114.32 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 88 + HD22 ASN 88 OK 100 100 - 100 - 1.7=100 Peak 917 from nnoeabs.peaks (7.03, 7.03, 114.32 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HD22 ASN 88 + HD22 ASN 88 OK 100 100 - 100 HD22 ASN 33 - HD22 ASN 33 OK 43 43 - 100 Peak 918 from nnoeabs.peaks (4.65, 7.56, 112.87 ppm; 5.90 A): 1 out of 1 assignment used, quality = 0.99: * HA GLN 25 + HE21 GLN 25 OK 99 100 - 99 - 5.9=98, 3.6/9210=36 Peak 921 from nnoeabs.peaks (2.38, 7.56, 112.87 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 25 + HE21 GLN 25 OK 100 100 - 100 - 3.5=100 Peak 922 from nnoeabs.peaks (2.52, 7.56, 112.87 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 25 + HE21 GLN 25 OK 100 100 - 100 - 3.5=100 Peak 923 from nnoeabs.peaks (7.56, 7.56, 112.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 25 + HE21 GLN 25 OK 100 100 - 100 Peak 924 from nnoeabs.peaks (6.88, 7.56, 112.87 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 25 + HE21 GLN 25 OK 100 100 - 100 - 1.7=100 Peak 925 from nnoeabs.peaks (4.65, 6.88, 112.87 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 25 + HE22 GLN 25 OK 100 100 - 100 - 5.9=100 Peak 928 from nnoeabs.peaks (2.38, 6.88, 112.87 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 25 + HE22 GLN 25 OK 100 100 - 100 - 3.5=100 Peak 929 from nnoeabs.peaks (2.52, 6.88, 112.87 ppm; 4.88 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 25 + HE22 GLN 25 OK 100 100 - 100 - 3.5=100 Peak 930 from nnoeabs.peaks (7.56, 6.88, 112.87 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 25 + HE22 GLN 25 OK 100 100 - 100 - 1.7=100 Peak 931 from nnoeabs.peaks (6.88, 6.88, 112.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 25 + HE22 GLN 25 OK 100 100 - 100 Peak 934 from nnoeabs.peaks (2.06, 7.52, 113.89 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 28 + HE21 GLN 28 OK 100 100 - 100 - 4.5=100 Peak 936 from nnoeabs.peaks (2.24, 7.52, 113.89 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 28 + HE21 GLN 28 OK 100 100 - 100 - 3.5=100 Peak 937 from nnoeabs.peaks (2.20, 7.52, 113.89 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 28 + HE21 GLN 28 OK 100 100 - 100 - 3.5=100 Peak 938 from nnoeabs.peaks (7.52, 7.52, 113.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 28 + HE21 GLN 28 OK 100 100 - 100 Peak 939 from nnoeabs.peaks (7.01, 7.52, 113.89 ppm; 2.51 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 28 + HE21 GLN 28 OK 100 100 - 100 - 1.7=100 Peak 942 from nnoeabs.peaks (2.06, 7.01, 113.89 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 28 + HE22 GLN 28 OK 100 100 - 100 - 4.5=100 Peak 944 from nnoeabs.peaks (2.24, 7.01, 113.89 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 28 + HE22 GLN 28 OK 100 100 - 100 - 3.5=100 Peak 945 from nnoeabs.peaks (2.20, 7.01, 113.89 ppm; 4.66 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 28 + HE22 GLN 28 OK 100 100 - 100 - 3.5=100 Peak 946 from nnoeabs.peaks (7.52, 7.01, 113.89 ppm; 2.56 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 28 + HE22 GLN 28 OK 100 100 - 100 - 1.7=100 Peak 947 from nnoeabs.peaks (7.01, 7.01, 113.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 28 + HE22 GLN 28 OK 100 100 - 100 Peak 950 from nnoeabs.peaks (2.17, 7.85, 112.56 ppm; 4.68 A): 2 out of 2 assignments used, quality = 1.00: HB3 GLN 62 + HE21 GLN 62 OK 100 100 - 100 - 4.4=100 * HB2 GLN 62 + HE21 GLN 62 OK 100 100 - 100 - 4.4=100 Peak 951 from nnoeabs.peaks (2.17, 7.85, 112.56 ppm; 4.68 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLN 62 + HE21 GLN 62 OK 100 100 - 100 - 4.4=100 HB2 GLN 62 + HE21 GLN 62 OK 100 100 - 100 - 4.4=100 Peak 952 from nnoeabs.peaks (2.41, 7.85, 112.56 ppm; 3.31 A): 2 out of 9 assignments used, quality = 0.98: * HG2 GLN 62 + HE21 GLN 62 OK 86 100 - 86 - 3.5=83, 3.9/4675=10...(5) HG3 GLN 62 + HE21 GLN 62 OK 86 100 - 86 - 3.5=83, 3.9/4675=10...(5) HG2 GLN 85 - HE21 GLN 62 lone 2 98 - 2 - HG3 GLN 85 - HE21 GLN 62 lone 2 96 - 2 - HG2 GLN 122 - HE21 GLN 62 lone 0 97 - 0 - HB2 ASP 110 - HE21 GLN 62 lone 0 100 - 0 - HG2 GLU 91 - HE21 GLN 62 lone 0 99 - 0 - HG3 MET 67 - HE21 GLN 62 lone 0 65 - 0 - HG2 MET 1 - HE21 GLN 62 lone 0 73 - 0 - Peak 953 from nnoeabs.peaks (2.41, 7.85, 112.56 ppm; 3.31 A): 2 out of 9 assignments used, quality = 0.98: * HG3 GLN 62 + HE21 GLN 62 OK 86 100 - 86 - 3.5=83, 3.9/4675=10...(5) HG2 GLN 62 + HE21 GLN 62 OK 86 100 - 86 - 3.5=83, 3.9/4675=10...(5) HG2 GLN 85 - HE21 GLN 62 lone 2 99 - 2 - HG3 GLN 85 - HE21 GLN 62 lone 2 97 - 2 - HG2 GLN 122 - HE21 GLN 62 lone 0 98 - 0 - HB2 ASP 110 - HE21 GLN 62 lone 0 99 - 0 - HG2 GLU 91 - HE21 GLN 62 lone 0 99 - 0 - HG3 MET 67 - HE21 GLN 62 lone 0 70 - 0 - HG2 MET 1 - HE21 GLN 62 lone 0 70 - 0 - Peak 954 from nnoeabs.peaks (7.85, 7.85, 112.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 62 + HE21 GLN 62 OK 100 100 - 100 Peak 955 from nnoeabs.peaks (6.89, 7.85, 112.56 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 62 + HE21 GLN 62 OK 100 100 - 100 - 1.7=100 Peak 957 from nnoeabs.peaks (4.11, 6.89, 112.56 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 62 + HE22 GLN 62 OK 100 100 - 100 - 5.7=100 Peak 958 from nnoeabs.peaks (2.17, 6.89, 112.56 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: HB3 GLN 62 + HE22 GLN 62 OK 100 100 - 100 - 4.4=100 * HB2 GLN 62 + HE22 GLN 62 OK 100 100 - 100 - 4.4=100 Peak 959 from nnoeabs.peaks (2.17, 6.89, 112.56 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLN 62 + HE22 GLN 62 OK 100 100 - 100 - 4.4=100 HB2 GLN 62 + HE22 GLN 62 OK 100 100 - 100 - 4.4=100 Peak 960 from nnoeabs.peaks (2.41, 6.89, 112.56 ppm; 3.71 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 62 + HE22 GLN 62 OK 100 100 - 100 - 3.5=100 HG3 GLN 62 + HE22 GLN 62 OK 100 100 - 100 - 3.5=100 Peak 961 from nnoeabs.peaks (2.41, 6.89, 112.56 ppm; 3.71 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 62 + HE22 GLN 62 OK 100 100 - 100 - 3.5=100 HG2 GLN 62 + HE22 GLN 62 OK 100 100 - 100 - 3.5=100 Peak 962 from nnoeabs.peaks (7.85, 6.89, 112.56 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 62 + HE22 GLN 62 OK 100 100 - 100 - 1.7=100 Peak 963 from nnoeabs.peaks (6.89, 6.89, 112.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 62 + HE22 GLN 62 OK 100 100 - 100 Peak 965 from nnoeabs.peaks (5.26, 7.20, 110.45 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * HA GLN 83 + HE21 GLN 83 OK 100 100 - 100 - 5.9=100 HA GLN 83 + HE22 GLN 83 OK 100 100 - 100 - 5.9=100 Peak 966 from nnoeabs.peaks (2.21, 7.20, 110.45 ppm; 5.21 A): 2 out of 2 assignments used, quality = 1.00: * HB2 GLN 83 + HE21 GLN 83 OK 100 100 - 100 - 4.4=100 HB2 GLN 83 + HE22 GLN 83 OK 100 100 - 100 - 4.4=100 Peak 967 from nnoeabs.peaks (1.42, 7.20, 110.45 ppm; 4.52 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLN 83 + HE21 GLN 83 OK 100 100 - 100 - 4.4=100 HB3 GLN 83 + HE22 GLN 83 OK 100 100 - 100 - 4.4=100 Peak 968 from nnoeabs.peaks (2.34, 7.20, 110.45 ppm; 3.57 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 83 + HE21 GLN 83 OK 100 100 - 100 - 3.5=100 HG2 GLN 83 + HE22 GLN 83 OK 100 100 - 100 - 3.5=100 Peak 969 from nnoeabs.peaks (2.12, 7.20, 110.45 ppm; 3.71 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 83 + HE21 GLN 83 OK 100 100 - 100 - 3.5=100 HG3 GLN 83 + HE22 GLN 83 OK 100 100 - 100 - 3.5=100 Peak 970 from nnoeabs.peaks (7.20, 7.20, 110.45 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE21 GLN 83 + HE21 GLN 83 OK 100 100 - 100 HE22 GLN 83 + HE22 GLN 83 OK 100 100 - 100 Peak 971 from nnoeabs.peaks (7.20, 7.20, 110.45 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE21 GLN 83 + HE21 GLN 83 OK 100 100 - 100 HE22 GLN 83 + HE22 GLN 83 OK 100 100 - 100 Reference assignment not found: HE22 GLN 83 - HE21 GLN 83 Peak 974 from nnoeabs.peaks (2.21, 7.20, 110.45 ppm; 5.21 A): 2 out of 2 assignments used, quality = 1.00: * HB2 GLN 83 + HE22 GLN 83 OK 100 100 - 100 - 4.4=100 HB2 GLN 83 + HE21 GLN 83 OK 100 100 - 100 - 4.4=100 Peak 975 from nnoeabs.peaks (1.42, 7.20, 110.45 ppm; 4.52 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLN 83 + HE22 GLN 83 OK 100 100 - 100 - 4.4=100 HB3 GLN 83 + HE21 GLN 83 OK 100 100 - 100 - 4.4=100 Peak 976 from nnoeabs.peaks (2.34, 7.20, 110.45 ppm; 3.57 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 83 + HE22 GLN 83 OK 100 100 - 100 - 3.5=100 HG2 GLN 83 + HE21 GLN 83 OK 100 100 - 100 - 3.5=100 Peak 977 from nnoeabs.peaks (2.12, 7.20, 110.45 ppm; 3.71 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 83 + HE22 GLN 83 OK 100 100 - 100 - 3.5=100 HG3 GLN 83 + HE21 GLN 83 OK 100 100 - 100 - 3.5=100 Peak 978 from nnoeabs.peaks (7.20, 7.20, 110.45 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HE22 GLN 83 + HE22 GLN 83 OK 100 100 - 100 HE21 GLN 83 + HE21 GLN 83 OK 100 100 - 100 Reference assignment not found: HE21 GLN 83 - HE22 GLN 83 Peak 979 from nnoeabs.peaks (7.20, 7.20, 110.45 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE22 GLN 83 + HE22 GLN 83 OK 100 100 - 100 HE21 GLN 83 + HE21 GLN 83 OK 100 100 - 100 Peak 982 from nnoeabs.peaks (2.17, 7.62, 112.15 ppm; 5.17 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 85 + HE21 GLN 85 OK 100 100 - 100 - 4.4=100 Peak 983 from nnoeabs.peaks (2.04, 7.62, 112.15 ppm; 5.62 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 85 + HE21 GLN 85 OK 100 100 - 100 - 4.4=100 Peak 984 from nnoeabs.peaks (2.41, 7.62, 112.15 ppm; 3.28 A): 2 out of 9 assignments used, quality = 0.99: * HG2 GLN 85 + HE21 GLN 85 OK 88 100 - 88 - 3.5=83, 5657/4.4=6...(13) HG3 GLN 85 + HE21 GLN 85 OK 88 100 - 88 - 3.5=83, 5657/4.4=6...(13) HG3 GLN 62 - HE21 GLN 85 lone 7 99 - 7 - 3.9/8102=2, 5649/5.3=1 HG2 GLN 62 - HE21 GLN 85 lone 7 98 - 7 - 3.9/8102=2, 5649/5.3=1 HG2 GLU 66 - HE21 GLN 85 lone 4 73 - 6 - HG3 MET 67 - HE21 GLN 85 lone 2 87 - 3 - HB2 ASP 110 - HE21 GLN 85 lone 2 94 - 2 - HG2 GLN 122 - HE21 GLN 85 lone 1 100 - 1 - HG2 GLU 91 - HE21 GLN 85 lone 0 92 - 0 - Peak 985 from nnoeabs.peaks (2.40, 7.62, 112.15 ppm; 3.28 A): 2 out of 9 assignments used, quality = 0.99: * HG3 GLN 85 + HE21 GLN 85 OK 88 100 - 88 - 3.5=83, 5658/4.4=6...(13) HG2 GLN 85 + HE21 GLN 85 OK 88 100 - 88 - 3.5=83, 5657/4.4=6...(13) HG3 GLN 62 - HE21 GLN 85 lone 7 97 - 7 - 3.9/8102=2, 5649/5.3=1 HG2 GLN 62 - HE21 GLN 85 lone 6 96 - 7 - 3.9/8102=2, 5649/5.3=1 HG2 GLU 66 - HE21 GLN 85 lone 5 81 - 6 - HG3 MET 67 - HE21 GLN 85 lone 3 92 - 3 - HB2 ASP 110 - HE21 GLN 85 lone 2 90 - 2 - HG2 GLN 122 - HE21 GLN 85 lone 1 100 - 1 - HG2 GLU 91 - HE21 GLN 85 lone 0 87 - 0 - Peak 986 from nnoeabs.peaks (7.62, 7.62, 112.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 85 + HE21 GLN 85 OK 100 100 - 100 Peak 987 from nnoeabs.peaks (6.89, 7.62, 112.15 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 85 + HE21 GLN 85 OK 100 100 - 100 - 1.7=100 Peak 992 from nnoeabs.peaks (2.41, 6.89, 112.15 ppm; 3.90 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 85 + HE22 GLN 85 OK 100 100 - 100 - 3.5=100 HG3 GLN 85 + HE22 GLN 85 OK 100 100 - 100 - 3.5=100 Peak 993 from nnoeabs.peaks (2.40, 6.89, 112.15 ppm; 3.90 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 85 + HE22 GLN 85 OK 100 100 - 100 - 3.5=100 HG2 GLN 85 + HE22 GLN 85 OK 100 100 - 100 - 3.5=100 Peak 994 from nnoeabs.peaks (7.62, 6.89, 112.15 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 85 + HE22 GLN 85 OK 100 100 - 100 - 1.7=100 Peak 995 from nnoeabs.peaks (6.89, 6.89, 112.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 85 + HE22 GLN 85 OK 100 100 - 100 Peak 998 from nnoeabs.peaks (2.21, 7.29, 110.23 ppm; 5.78 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 100 + HE21 GLN 100 OK 100 100 - 100 - 4.6=100 Peak 1000 from nnoeabs.peaks (2.44, 7.29, 110.23 ppm; 4.39 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 100 + HE21 GLN 100 OK 100 100 - 100 - 3.5=100 Peak 1001 from nnoeabs.peaks (2.35, 7.29, 110.23 ppm; 4.50 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 100 + HE21 GLN 100 OK 100 100 - 100 - 3.5=100 Peak 1002 from nnoeabs.peaks (7.29, 7.29, 110.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 100 + HE21 GLN 100 OK 100 100 - 100 Peak 1003 from nnoeabs.peaks (6.75, 7.29, 110.23 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 100 + HE21 GLN 100 OK 100 100 - 100 - 1.7=100 Peak 1008 from nnoeabs.peaks (2.44, 6.75, 110.23 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 100 + HE22 GLN 100 OK 100 100 - 100 - 3.5=100 Peak 1009 from nnoeabs.peaks (2.35, 6.75, 110.23 ppm; 4.74 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 100 + HE22 GLN 100 OK 100 100 - 100 - 3.5=100 Peak 1010 from nnoeabs.peaks (7.29, 6.75, 110.23 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 100 + HE22 GLN 100 OK 100 100 - 100 - 1.7=100 Peak 1011 from nnoeabs.peaks (6.75, 6.75, 110.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 100 + HE22 GLN 100 OK 100 100 - 100 Peak 1015 from nnoeabs.peaks (2.24, 7.47, 111.55 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLN 122 + HE21 GLN 122 OK 100 100 - 100 - 4.4=100 HB2 GLN 122 + HE21 GLN 122 OK 100 100 - 100 - 4.4=100 Peak 1016 from nnoeabs.peaks (2.41, 7.47, 111.55 ppm; 5.00 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 122 + HE21 GLN 122 OK 100 100 - 100 - 3.5=100 Peak 1017 from nnoeabs.peaks (2.52, 7.47, 111.55 ppm; 4.39 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 122 + HE21 GLN 122 OK 100 100 - 100 - 3.5=100 Peak 1018 from nnoeabs.peaks (7.47, 7.47, 111.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 122 + HE21 GLN 122 OK 100 100 - 100 Peak 1019 from nnoeabs.peaks (6.83, 7.47, 111.55 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 122 + HE21 GLN 122 OK 100 100 - 100 - 1.7=100 Peak 1024 from nnoeabs.peaks (2.41, 6.83, 111.55 ppm; 5.33 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 122 + HE22 GLN 122 OK 100 100 - 100 - 3.5=100 Peak 1025 from nnoeabs.peaks (2.52, 6.83, 111.55 ppm; 5.11 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 122 + HE22 GLN 122 OK 100 100 - 100 - 3.5=100 Peak 1026 from nnoeabs.peaks (7.47, 6.83, 111.55 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 122 + HE22 GLN 122 OK 100 100 - 100 - 1.7=100 Peak 1027 from nnoeabs.peaks (6.83, 6.83, 111.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 122 + HE22 GLN 122 OK 100 100 - 100 Peak 1028 from nnoeabs.peaks (9.08, 9.08, 127.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 4 + H LEU 4 OK 100 100 - 100 Peak 1029 from nnoeabs.peaks (5.46, 9.08, 127.78 ppm; 4.23 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 4 + H LEU 4 OK 100 100 - 100 - 2.9=100 Peak 1030 from nnoeabs.peaks (1.44, 9.08, 127.78 ppm; 3.32 A): 2 out of 12 assignments used, quality = 0.96: HB3 LEU 4 + H LEU 4 OK 80 100 - 80 - 3.8=64, 3.1/2388=17...(8) * HB2 LEU 4 + H LEU 4 OK 80 100 - 80 - 3.8=64, 3.1/2388=17...(8) HG LEU 4 - H LEU 4 OK 44 81 - 55 - 5.3=25, 2.1/2388=20...(4) HG12 ILE 56 - H LEU 4 lone 6 92 - 6 - 1.8/7=2, 2.1/1034=1 HG LEU 80 - H LEU 4 lone 3 99 - 3 - HG3 LYS 17 - H LEU 4 lone 2 96 - 2 - 10918/4.4=1 HB3 LEU 63 - H LEU 4 lone 2 90 - 2 - HG2 LYS 96 - H LEU 4 lone 1 100 - 1 - HG3 ARG 30 - H LEU 4 lone 1 77 - 2 - HG3 LYS 44 - H LEU 4 lone 0 100 - 0 - HB3 LYS 61 - H LEU 4 lone 0 99 - 0 - HB3 GLN 83 - H LEU 4 lone 0 70 - 0 - Peak 1031 from nnoeabs.peaks (1.44, 9.08, 127.78 ppm; 3.32 A): 2 out of 12 assignments used, quality = 0.96: * HB3 LEU 4 + H LEU 4 OK 80 100 - 80 - 3.8=64, 3.1/2388=17...(8) HB2 LEU 4 + H LEU 4 OK 80 100 - 80 - 3.8=64, 3.1/2388=17...(8) HG LEU 4 - H LEU 4 OK 44 81 - 55 - 5.3=25, 2.1/2388=20...(4) HG12 ILE 56 - H LEU 4 lone 6 92 - 6 - 1.8/7=2, 2.1/1034=1 HG LEU 80 - H LEU 4 lone 3 99 - 3 - HG3 LYS 17 - H LEU 4 lone 2 96 - 2 - 10918/4.4=1 HB3 LEU 63 - H LEU 4 lone 2 90 - 2 - HG2 LYS 96 - H LEU 4 lone 1 100 - 1 - HG3 ARG 30 - H LEU 4 lone 1 77 - 2 - HG3 LYS 44 - H LEU 4 lone 0 100 - 0 - HB3 LYS 61 - H LEU 4 lone 0 99 - 0 - HB3 GLN 83 - H LEU 4 lone 0 70 - 0 - Peak 1032 from nnoeabs.peaks (1.45, 9.08, 127.78 ppm; 3.32 A): 3 out of 17 assignments used, quality = 0.94: HB3 LEU 4 + H LEU 4 OK 64 81 - 79 - 3.8=64, 3.1/2388=17...(6) HB2 LEU 4 + H LEU 4 OK 64 81 - 79 - 3.8=64, 3.1/2388=17...(6) * HG LEU 4 + H LEU 4 OK 55 100 - 55 - 5.3=25, 2.1/2388=20...(4) HG12 ILE 7 - H LEU 4 lone 9 96 - 10 - 2.1/9087=2, 3.8/9041=2...(4) HB3 LEU 6 - H LEU 4 lone 5 97 - 5 - 3.9/9071=1 HG LEU 80 - H LEU 4 lone 4 92 - 4 - HB3 LEU 38 - H LEU 4 lone 3 92 - 4 - 3.1/7=2 HG3 ARG 30 - H LEU 4 lone 2 100 - 2 - HG2 LYS 96 - H LEU 4 lone 1 90 - 1 - HG12 ILE 57 - H LEU 4 lone 1 94 - 1 - HG2 LYS 39 - H LEU 4 lone 1 98 - 1 - HG2 LYS 106 - H LEU 4 lone 1 94 - 1 - HG2 LYS 49 - H LEU 4 lone 0 97 - 0 - HG3 LYS 49 - H LEU 4 lone 0 97 - 0 - HG3 LYS 44 - H LEU 4 lone 0 84 - 0 - HB2 LEU 74 - H LEU 4 lone 0 77 - 0 - HB3 LYS 61 - H LEU 4 lone 0 61 - 0 - Peak 1033 from nnoeabs.peaks (0.64, 9.08, 127.78 ppm; 3.85 A): 2 out of 7 assignments used, quality = 0.94: * QD1 LEU 4 + H LEU 4 OK 89 100 - 89 - 4.4=68, 2.1/1034=27...(10) QD1 ILE 54 + H LEU 4 OK 49 97 - 51 - 2.1/11326=18, ~9486=10...(8) QD1 ILE 5 - H LEU 4 OK 13 65 - 19 - 9009/4.4=5, 13/4.6=5...(5) QD1 ILE 71 - H LEU 4 lone 6 87 - 7 - 9777/3.8=2, 9777/3.8=2 QG1 VAL 22 - H LEU 4 lone 5 99 - 5 - 9009/4.4=2 QD1 ILE 56 - H LEU 4 lone 5 61 - 8 - 2.1/7=2, 2.9/1034=1, 2.1/1031=1 HG13 ILE 15 - H LEU 4 lone 2 98 - 2 - Peak 1034 from nnoeabs.peaks (0.68, 9.08, 127.78 ppm; 3.89 A): 2 out of 7 assignments used, quality = 0.90: * QD2 LEU 4 + H LEU 4 OK 88 100 - 88 - 4.4=71, 2.1/2388=29...(7) QD1 LEU 55 + H LEU 4 OK 11 98 - 12 - 14/4.6=6, 2.1/10665=3...(4) QG2 ILE 56 - H LEU 4 lone 6 73 - 7 - 3.2/7=2, 14/4.6=1 QD1 ILE 56 - H LEU 4 lone 5 70 - 7 - 2.1/7=2, 2.1/1030=1 QD1 ILE 116 - H LEU 4 lone 1 100 - 1 - QD2 LEU 114 - H LEU 4 lone 1 96 - 1 - QG2 ILE 97 - H LEU 4 lone 1 99 - 1 - Peak 1035 from nnoeabs.peaks (8.77, 8.77, 123.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 5 + H ILE 5 OK 100 100 - 100 Peak 1036 from nnoeabs.peaks (4.83, 8.77, 123.01 ppm; 5.92 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 5 + H ILE 5 OK 100 100 - 100 - 3.0=100 Peak 1037 from nnoeabs.peaks (1.65, 8.77, 123.01 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 5 + H ILE 5 OK 100 100 - 100 - 3.9=100 Peak 1038 from nnoeabs.peaks (0.84, 8.77, 123.01 ppm; 4.76 A): 2 out of 2 assignments used, quality = 1.00: * QG2 ILE 5 + H ILE 5 OK 100 100 - 100 - 4.0=100 HG13 ILE 5 + H ILE 5 OK 99 99 - 100 - 4.6=100 Peak 1039 from nnoeabs.peaks (1.81, 8.77, 123.01 ppm; 5.43 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 5 + H ILE 5 OK 100 100 - 100 - 4.6=100 Peak 1040 from nnoeabs.peaks (0.85, 8.77, 123.01 ppm; 4.76 A): 2 out of 2 assignments used, quality = 1.00: * HG13 ILE 5 + H ILE 5 OK 100 100 - 100 - 4.6=100 QG2 ILE 5 + H ILE 5 OK 99 99 - 100 - 4.0=100 Peak 1041 from nnoeabs.peaks (0.62, 8.77, 123.01 ppm; 4.53 A): 3 out of 7 assignments used, quality = 0.97: * QD1 ILE 5 + H ILE 5 OK 87 100 - 87 - 5.0=73, 2439/3.9=16...(9) QD1 LEU 4 + H ILE 5 OK 52 65 - 79 - 3.8/9=35, 7313=22...(11) QG1 VAL 78 + H ILE 5 OK 46 94 - 49 - 9888/4.7=15, 11529/4.4=9...(8) QD1 ILE 54 - H ILE 5 OK 26 90 - 29 - 9496/3.6=12, 2437=5...(9) QD1 ILE 18 - H ILE 5 OK 18 90 - 20 - 2437=4, 2.1/10738=3...(10) QG1 VAL 22 - H ILE 5 lone 3 81 - 4 - HG13 ILE 15 - H ILE 5 lone 3 87 - 3 - Peak 1042 from nnoeabs.peaks (9.23, 9.23, 129.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 6 + H LEU 6 OK 100 100 - 100 Peak 1043 from nnoeabs.peaks (5.35, 9.23, 129.32 ppm; 4.29 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 6 + H LEU 6 OK 100 100 - 100 - 3.0=100 Peak 1044 from nnoeabs.peaks (1.51, 9.23, 129.32 ppm; 3.53 A): 2 out of 11 assignments used, quality = 0.97: * HB2 LEU 6 + H LEU 6 OK 91 100 - 91 - 3.9=75, 1.8/1045=16...(13) HG LEU 6 + H LEU 6 OK 66 87 - 76 - 5.1=34, 2.1/1048=15...(12) QB ALA 124 - H LEU 6 lone 6 99 - 6 - 10619/4.4=3, 10620/21=1 HD3 LYS 17 - H LEU 6 lone 5 94 - 5 - 11480/4.4=3 HB3 ARG 30 - H LEU 6 lone 3 98 - 3 - 4.6/9070=2 HG2 ARG 30 - H LEU 6 lone 3 90 - 3 - 4.8/9070=2, 1.8/1045=1 HB3 LEU 14 - H LEU 6 lone 2 92 - 2 - 3.1/20=1 HG LEU 38 - H LEU 6 lone 2 84 - 3 - HG2 LYS 20 - H LEU 6 lone 2 100 - 2 - HG2 LYS 43 - H LEU 6 lone 1 99 - 1 - HB2 LYS 61 - H LEU 6 lone 0 94 - 0 - Peak 1045 from nnoeabs.peaks (1.46, 9.23, 129.32 ppm; 3.56 A): 2 out of 14 assignments used, quality = 0.95: * HB3 LEU 6 + H LEU 6 OK 92 100 - 92 - 3.9=77, 1.8/1044=18...(14) HG12 ILE 7 + H LEU 6 OK 37 100 - 37 - 2507/4.7=12, 3.8/10669=4...(12) HG LEU 80 - H LEU 6 OK 22 70 - 32 - 4.3/9065=17, 2.1/9940=9...(6) HG12 ILE 57 - H LEU 6 OK 13 100 - 13 - 2.1/1048=3, 25/4.7=2...(5) HG LEU 4 - H LEU 6 OK 13 97 - 13 - 7312/4.7=5, 2.1/21=2...(4) HB3 LEU 38 - H LEU 6 lone 7 100 - 7 - 2482/4.8=2, 2468/5.1=1 HG3 ARG 30 - H LEU 6 lone 6 98 - 6 - 4.8/9070=2 HG3 LYS 49 - H LEU 6 lone 3 100 - 3 - HG2 LYS 49 - H LEU 6 lone 3 100 - 3 - HG2 LYS 39 - H LEU 6 lone 3 100 - 3 - HG2 LYS 106 - H LEU 6 lone 2 100 - 2 - HG3 LYS 20 - H LEU 6 lone 1 65 - 2 - HG2 LYS 96 - H LEU 6 lone 1 65 - 1 - HB2 LEU 74 - H LEU 6 lone 1 96 - 1 - Peak 1046 from nnoeabs.peaks (1.52, 9.23, 129.32 ppm; 3.53 A): 2 out of 11 assignments used, quality = 0.95: HB2 LEU 6 + H LEU 6 OK 79 87 - 91 - 3.9=75, 1.8/1045=16...(11) * HG LEU 6 + H LEU 6 OK 78 100 - 78 - 5.1=34, 2.1/1048=15...(12) HD3 LYS 17 - H LEU 6 lone 5 100 - 5 - 11480/4.4=3 HB3 ARG 30 - H LEU 6 lone 3 98 - 3 - 4.6/9070=2 QB ALA 124 - H LEU 6 lone 3 73 - 4 - 10619/4.4=2 HG LEU 38 - H LEU 6 lone 3 100 - 3 - 3540/3.9=1 HG2 LYS 20 - H LEU 6 lone 1 81 - 2 - HG2 LYS 43 - H LEU 6 lone 1 97 - 1 - HD3 LYS 94 - H LEU 6 lone 0 70 - 1 - HD2 LYS 94 - H LEU 6 lone 0 70 - 1 - HB2 LYS 61 - H LEU 6 lone 0 100 - 0 - Peak 1047 from nnoeabs.peaks (0.73, 9.23, 129.32 ppm; 3.64 A): 3 out of 11 assignments used, quality = 0.94: * QD2 LEU 6 + H LEU 6 OK 86 100 - 86 - 4.8=43, 2473/3.0=26...(11) QG2 VAL 78 + H LEU 6 OK 36 92 - 39 - 4.1/9892=16, 2.1/9888=8...(9) QG2 ILE 7 + H LEU 6 OK 27 94 - 28 - 27/4.7=7, 2449/3.0=5...(7) QD2 LEU 55 - H LEU 6 OK 19 100 - 19 - 11138/4.4=4, 9527/4.7=3...(6) HG13 ILE 18 - H LEU 6 OK 10 98 - 10 - 10779/4.4=3, 2.1/21=2...(4) QG2 ILE 54 - H LEU 6 lone 8 90 - 9 - 10738/4.7=2, 3.1/21=1...(5) QD1 LEU 63 - H LEU 6 lone 5 98 - 5 - 2473/3.0=2, 11612/4.7=1 QG1 VAL 117 - H LEU 6 lone 5 81 - 6 - 10938/4.5=2, 2.1/9066=2 QG2 ILE 18 - H LEU 6 lone 4 70 - 6 - 2.9/21=2, 10938/4.5=1 QD2 LEU 45 - H LEU 6 lone 2 92 - 2 - QD1 LEU 45 - H LEU 6 lone 1 61 - 2 - Peak 1048 from nnoeabs.peaks (0.71, 9.23, 129.32 ppm; 3.64 A): 4 out of 9 assignments used, quality = 0.94: * QD1 LEU 6 + H LEU 6 OK 86 100 - 86 - 4.8=43, 2480/3.0=28...(11) QG2 VAL 78 + H LEU 6 OK 36 92 - 40 - 4.1/9892=16, 2.1/9888=8...(9) QD2 LEU 81 + H LEU 6 OK 21 94 - 22 - 4.8/9071=11, 28/4.7=4...(4) QD1 ILE 57 + H LEU 6 OK 18 96 - 19 - 9581/4.7=10, 2450/3.0=3...(5) QG1 VAL 117 - H LEU 6 lone 7 98 - 7 - 10938/4.5=2, 2.1/9066=2 HG13 ILE 18 - H LEU 6 lone 7 81 - 9 - 10779/4.4=2, 2.1/21=2 QG2 ILE 18 - H LEU 6 lone 6 100 - 6 - 2.9/21=2, 10938/4.5=2 QD2 LEU 63 - H LEU 6 lone 3 98 - 3 - ~2473=1 QD2 LEU 45 - H LEU 6 lone 2 92 - 2 - Peak 1049 from nnoeabs.peaks (8.93, 8.93, 120.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 7 + H ILE 7 OK 100 100 - 100 Peak 1050 from nnoeabs.peaks (5.18, 8.93, 120.75 ppm; 4.95 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 7 + H ILE 7 OK 100 100 - 100 - 3.0=100 Peak 1051 from nnoeabs.peaks (1.89, 8.93, 120.75 ppm; 3.81 A): 1 out of 20 assignments used, quality = 0.97: * HB ILE 7 + H ILE 7 OK 97 100 - 97 - 3.9=90, 3.0/2514=21...(9) QE MET 67 - H ILE 7 lone 6 87 - 7 - 9725/5.0=3 HB3 LYS 20 - H ILE 7 lone 4 100 - 4 - HB2 LYS 20 - H ILE 7 lone 4 100 - 4 - HB3 LYS 43 - H ILE 7 lone 3 94 - 4 - HB2 LYS 43 - H ILE 7 lone 3 77 - 3 - HG LEU 45 - H ILE 7 lone 2 92 - 2 - HB3 LYS 73 - H ILE 7 lone 2 100 - 2 - HB2 LYS 73 - H ILE 7 lone 2 100 - 2 - HB2 LYS 96 - H ILE 7 lone 2 94 - 2 - HB2 LEU 45 - H ILE 7 lone 2 87 - 2 - HB2 LYS 49 - H ILE 7 lone 1 97 - 1 - HB ILE 71 - H ILE 7 lone 1 99 - 1 - HB2 ARG 95 - H ILE 7 lone 1 99 - 1 - HB3 LYS 16 - H ILE 7 lone 1 90 - 1 - HB2 LYS 16 - H ILE 7 lone 1 87 - 1 - HG2 ARG 95 - H ILE 7 lone 1 73 - 1 - HB3 LYS 44 - H ILE 7 lone 1 81 - 1 - HB2 GLU 128 - H ILE 7 lone 1 94 - 1 - HB2 LYS 44 - H ILE 7 lone 0 61 - 1 - Peak 1052 from nnoeabs.peaks (0.74, 8.93, 120.75 ppm; 3.43 A): 2 out of 12 assignments used, quality = 0.95: * QG2 ILE 7 + H ILE 7 OK 85 100 - 85 - 4.0=61, 2.1/1051=20...(10) QD2 LEU 6 + H ILE 7 OK 69 94 - 73 - 5.0=33, 3.9/23=22...(12) QD2 LEU 55 - H ILE 7 OK 22 96 - 23 - 4.6/9530=12, 11136/5.3=3...(7) QG2 ILE 54 - H ILE 7 OK 10 100 - 10 - 11355/9530=4...(3) QG2 VAL 78 - H ILE 7 poor 8 61 - 14 - 11291/3.9=3, 2449/3.6=3...(6) QG2 VAL 32 - H ILE 7 poor 8 61 - 13 - 10928/3.9=4, 2524/4.7=2...(5) QD1 LEU 63 - H ILE 7 lone 7 100 - 7 - 11612=2, 11559/9086=2 HG13 ILE 18 - H ILE 7 lone 4 77 - 5 - 2524/4.7=1 QD1 LEU 45 - H ILE 7 lone 2 92 - 2 - QD2 LEU 14 - H ILE 7 lone 2 61 - 3 - QG1 VAL 107 - H ILE 7 lone 2 61 - 2 - QD2 LEU 45 - H ILE 7 lone 1 61 - 2 - Peak 1053 from nnoeabs.peaks (1.46, 8.93, 120.75 ppm; 3.73 A): 2 out of 15 assignments used, quality = 0.97: HB3 LEU 6 + H ILE 7 OK 87 100 - 87 - 4.6=52, 3.0/23=34...(9) * HG12 ILE 7 + H ILE 7 OK 80 100 - 80 - 5.3=35, 1.8/1054=25...(12) HG12 ILE 57 - H ILE 7 OK 38 100 - 38 - 2.1/9581=14, 4.2/9078=9...(8) HG LEU 80 - H ILE 7 OK 15 65 - 23 - ~11625=7, 2.1/1055=6...(6) HB3 LEU 38 - H ILE 7 lone 9 100 - 9 - 2482/5.0=2, 2475/5.0=1 HG3 LYS 20 - H ILE 7 lone 4 70 - 6 - 1.8/24=1 HG3 ARG 30 - H ILE 7 lone 4 97 - 4 - HG2 LYS 39 - H ILE 7 lone 3 100 - 3 - HG LEU 4 - H ILE 7 lone 3 96 - 3 - 1045/4.7=1 HG2 LYS 49 - H ILE 7 lone 3 100 - 3 - HG3 LYS 49 - H ILE 7 lone 3 100 - 3 - HG2 LYS 106 - H ILE 7 lone 3 100 - 3 - 10287/4.7=1 HG3 LYS 73 - H ILE 7 lone 1 61 - 2 - HG2 LYS 96 - H ILE 7 lone 1 61 - 2 - HB2 LEU 74 - H ILE 7 lone 1 97 - 1 - Peak 1054 from nnoeabs.peaks (1.25, 8.93, 120.75 ppm; 4.36 A): 1 out of 6 assignments used, quality = 0.89: * HG13 ILE 7 + H ILE 7 OK 89 100 - 89 - 5.3=56, 1.8/2507=33...(9) HG12 ILE 54 - H ILE 7 lone 7 99 - 7 - 3.0/11344=3, 3.2/1052=2 QG2 THR 108 - H ILE 7 lone 4 99 - 4 - 10323/4.0=1 HD2 LYS 2 - H ILE 7 lone 1 96 - 1 - HD3 LYS 53 - H ILE 7 lone 1 77 - 2 - HG3 LYS 61 - H ILE 7 lone 1 99 - 1 - Peak 1055 from nnoeabs.peaks (0.77, 8.93, 120.75 ppm; 3.43 A): 4 out of 10 assignments used, quality = 0.91: * QD1 ILE 7 + H ILE 7 OK 79 100 - 79 - 4.7=39, 2.1/1054=19...(11) QD1 LEU 80 + H ILE 7 OK 28 96 - 30 - 9940/4.7=9, 11625/3.0=8...(7) QD2 LEU 80 + H ILE 7 OK 24 94 - 25 - ~11625=6, 11094/3.9=4...(8) QG2 VAL 32 + H ILE 7 OK 19 99 - 20 - 10928/3.9=8, 2492/3.0=4...(4) QD1 LEU 82 - H ILE 7 lone 7 90 - 8 - 3.9/9078=5, 2.1/10672=1 QD1 ILE 15 - H ILE 7 lone 6 100 - 5 - 3.0/10672=1 QD2 LEU 14 - H ILE 7 lone 3 99 - 3 - QG1 VAL 107 - H ILE 7 lone 3 99 - 3 - QD2 LEU 64 - H ILE 7 lone 2 73 - 3 - 10953/4.6=1, 10954/4.6=1 QD1 LEU 45 - H ILE 7 lone 2 84 - 3 - Peak 1056 from nnoeabs.peaks (8.63, 8.63, 125.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 8 + H ASN 8 OK 100 100 - 100 Peak 1057 from nnoeabs.peaks (5.90, 8.63, 125.54 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 8 + H ASN 8 OK 100 100 - 100 - 3.0=100 Peak 1058 from nnoeabs.peaks (2.89, 8.63, 125.54 ppm; 3.87 A): 1 out of 11 assignments used, quality = 0.91: * HB2 ASN 8 + H ASN 8 OK 91 100 - 91 - 4.0=88, 38/4.6=9...(5) HB3 ASN 88 - H ASN 8 lone 5 81 - 6 - 4.0/548=2, 4.2/2131=2 HB2 ASN 10 - H ASN 8 lone 3 77 - 4 - 4.0/9090=3 HE3 LYS 17 - H ASN 8 lone 2 94 - 2 - HE3 LYS 2 - H ASN 8 lone 1 92 - 1 - HB2 ASP 34 - H ASN 8 lone 1 65 - 1 - HB2 ASN 33 - H ASN 8 lone 1 61 - 1 - HE2 LYS 115 - H ASN 8 lone 0 65 - 1 - HE3 LYS 115 - H ASN 8 lone 0 65 - 1 - HE2 LYS 16 - H ASN 8 lone 0 61 - 1 - HE3 LYS 16 - H ASN 8 lone 0 61 - 1 - Peak 1059 from nnoeabs.peaks (2.27, 8.63, 125.54 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 8 + H ASN 8 OK 100 100 - 100 - 4.0=100 Peak 1062 from nnoeabs.peaks (8.04, 8.04, 118.49 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H THR 9 + H THR 9 OK 100 100 - 100 H LYS 65 + H LYS 65 OK 74 74 - 100 Peak 1063 from nnoeabs.peaks (4.74, 8.04, 118.49 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 9 + H THR 9 OK 100 100 - 100 - 3.0=100 Peak 1064 from nnoeabs.peaks (4.32, 8.04, 118.49 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 9 + H THR 9 OK 100 100 - 100 - 4.0=100 Peak 1065 from nnoeabs.peaks (0.86, 8.04, 118.49 ppm; 3.11 A): 3 out of 20 assignments used, quality = 0.67: * QG2 THR 9 + H THR 9 OK 56 100 - 56 - 3.9=49, 9123/3.6=9, 4.0/1858=5 QG2 VAL 117 + H LYS 65 OK 14 78 - 18 - 10520/4.2=4, 10521/4.2=4...(6) QG2 VAL 107 + H LYS 65 OK 13 76 - 17 - 10297=5, 10307/3.0=4...(5) QG1 VAL 32 - H LYS 65 poor 9 77 - 11 - 9288/3.6=4, 9278/4.6=3...(4) HG13 ILE 57 - H THR 9 lone 5 99 - 5 - 3.2/9579=4 QD2 LEU 90 - H LYS 65 lone 3 41 - 8 - 2.1/5803=2, 3.1/5782=1 QG2 VAL 107 - H THR 9 lone 2 99 - 2 - QD2 LEU 90 - H THR 9 lone 2 61 - 3 - QG2 VAL 117 - H THR 9 lone 2 100 - 2 - QG2 ILE 15 - H THR 9 lone 2 73 - 2 - 10741/3.0=2 HG13 ILE 57 - H LYS 65 lone 2 77 - 2 - 3.2/9579=1 HG13 ILE 5 - H THR 9 lone 2 70 - 2 - QD1 LEU 14 - H LYS 65 lone 2 77 - 2 - QG2 THR 9 - H LYS 65 lone 1 79 - 2 - QG1 VAL 32 - H THR 9 lone 1 99 - 1 - QG2 VAL 22 - H LYS 65 lone 1 69 - 2 - QG2 VAL 22 - H THR 9 lone 1 94 - 1 - QD1 LEU 14 - H THR 9 lone 1 99 - 1 - QG2 ILE 15 - H LYS 65 lone 0 51 - 0 - HG13 ILE 5 - H LYS 65 lone 0 48 - 0 - Peak 1066 from nnoeabs.peaks (8.44, 8.44, 123.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 10 + H ASN 10 OK 100 100 - 100 Peak 1067 from nnoeabs.peaks (4.97, 8.44, 123.27 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 10 + H ASN 10 OK 100 100 - 100 - 3.0=100 Peak 1068 from nnoeabs.peaks (2.91, 8.44, 123.27 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 10 + H ASN 10 OK 100 100 - 100 - 4.0=100 Peak 1069 from nnoeabs.peaks (2.82, 8.44, 123.27 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 10 + H ASN 10 OK 100 100 - 100 - 4.0=100 Peak 1072 from nnoeabs.peaks (8.37, 8.37, 120.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 11 + H ASN 11 OK 100 100 - 100 Peak 1073 from nnoeabs.peaks (4.69, 8.37, 120.92 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 11 + H ASN 11 OK 100 100 - 100 - 3.0=100 Peak 1074 from nnoeabs.peaks (3.03, 8.37, 120.92 ppm; 3.30 A): 1 out of 8 assignments used, quality = 0.78: * HB2 ASN 11 + H ASN 11 OK 78 100 - 78 - 4.1=53, 1.8/1075=33...(9) HE3 LYS 49 - H ASN 11 lone 1 87 - 1 - HE2 LYS 49 - H ASN 11 lone 1 87 - 1 - HE2 LYS 94 - H ASN 11 lone 1 96 - 1 - HB2 PHE 51 - H ASN 11 lone 1 100 - 1 - HB3 PHE 93 - H ASN 11 lone 1 94 - 1 - HE2 LYS 123 - H ASN 11 lone 1 81 - 1 - HE3 LYS 123 - H ASN 11 lone 0 65 - 1 - Peak 1075 from nnoeabs.peaks (2.74, 8.37, 120.92 ppm; 3.36 A): 1 out of 7 assignments used, quality = 0.78: * HB3 ASN 11 + H ASN 11 OK 78 100 - 78 - 4.1=56, 1.8/1074=34...(7) HG3 GLU 37 - H ASN 11 lone 1 73 - 1 - HB3 ASP 109 - H ASN 11 lone 1 77 - 1 - HB3 TYR 102 - H ASN 11 lone 1 97 - 1 - HB2 ASP 60 - H ASN 11 lone 0 94 - 0 - HE2 LYS 2 - H ASN 11 lone 0 81 - 0 - HG3 MET 42 - H ASN 11 lone 0 70 - 0 - Peak 1076 from nnoeabs.peaks (7.33, 8.37, 120.92 ppm; 4.69 A): 2 out of 2 assignments used, quality = 0.98: HD22 ASN 11 + H ASN 11 OK 85 100 - 85 - 5.6=59, 3.5/1075=38...(5) * HD21 ASN 11 + H ASN 11 OK 85 100 - 85 - 5.6=59, 3.5/1075=38...(5) Peak 1078 from nnoeabs.peaks (8.59, 8.59, 126.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 12 + H ASP 12 OK 100 100 - 100 Peak 1079 from nnoeabs.peaks (4.27, 8.59, 126.31 ppm; 3.37 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 12 + H ASP 12 OK 100 100 - 100 - 3.0=100 Peak 1080 from nnoeabs.peaks (2.64, 8.59, 126.31 ppm; 2.93 A): 2 out of 5 assignments used, quality = 0.79: HB3 ASP 12 + H ASP 12 OK 54 100 - 54 - 4.0=40, 1.8/2598=11...(4) * HB2 ASP 12 + H ASP 12 OK 54 100 - 54 - 4.0=40, 1.8/2598=11...(4) HG3 MET 121 - H ASP 12 lone 1 70 - 1 - HG2 MET 42 - H ASP 12 lone 0 81 - 0 - HE2 LYS 53 - H ASP 12 lone 0 81 - 0 - Peak 1081 from nnoeabs.peaks (2.64, 8.59, 126.31 ppm; 2.93 A): 2 out of 5 assignments used, quality = 0.79: * HB3 ASP 12 + H ASP 12 OK 54 100 - 54 - 4.0=40, 1.8/2598=11...(4) HB2 ASP 12 + H ASP 12 OK 54 100 - 54 - 4.0=40, 1.8/2598=11...(4) HG3 MET 121 - H ASP 12 lone 1 70 - 1 - HG2 MET 42 - H ASP 12 lone 0 81 - 0 - HE2 LYS 53 - H ASP 12 lone 0 81 - 0 - Peak 1082 from nnoeabs.peaks (8.29, 8.29, 119.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 13 + H GLU 13 OK 100 100 - 100 Peak 1083 from nnoeabs.peaks (4.03, 8.29, 119.33 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 13 + H GLU 13 OK 100 100 - 100 - 3.0=100 Peak 1084 from nnoeabs.peaks (2.06, 8.29, 119.33 ppm; 3.39 A): 2 out of 14 assignments used, quality = 0.93: * HB2 GLU 13 + H GLU 13 OK 91 100 - 91 - 4.0=59, 1.8/1085=36...(13) HB2 GLU 92 + H GLU 13 OK 17 90 - 19 - 2612=4, 3.0/1087=4...(6) HB3 GLU 98 - H GLU 13 lone 5 90 - 5 - 1.8/1085=1, 3.0/1086=1 HB3 GLU 91 - H GLU 13 lone 2 99 - 2 - HB3 MET 121 - H GLU 13 lone 2 84 - 2 - HB3 GLN 100 - H GLU 13 lone 2 73 - 2 - HB2 LYS 94 - H GLU 13 lone 2 98 - 2 - HG2 GLU 119 - H GLU 13 lone 1 87 - 1 - HB3 PHE 79 - H GLU 13 lone 1 90 - 1 - HB3 MET 67 - H GLU 13 lone 1 77 - 1 - HB2 GLU 47 - H GLU 13 lone 1 96 - 1 - HB2 GLN 28 - H GLU 13 lone 1 100 - 1 - HB3 GLU 112 - H GLU 13 lone 0 61 - 1 - HB VAL 117 - H GLU 13 lone 0 70 - 1 - Peak 1085 from nnoeabs.peaks (2.16, 8.29, 119.33 ppm; 3.14 A): 1 out of 6 assignments used, quality = 0.86: * HB3 GLU 13 + H GLU 13 OK 86 100 - 86 - 4.0=47, 1.8/2612=24...(16) HB2 GLU 98 - H GLU 13 lone 3 61 - 5 - 1.8/1084=1, 3.0/1086=1 HB3 GLU 37 - H GLU 13 lone 1 77 - 1 - HB3 GLN 62 - H GLU 13 lone 1 97 - 1 - HB2 GLN 62 - H GLU 13 lone 1 97 - 1 - HB2 GLN 85 - H GLU 13 lone 1 84 - 1 - Peak 1086 from nnoeabs.peaks (2.36, 8.29, 119.33 ppm; 3.71 A): 1 out of 5 assignments used, quality = 0.91: * HG2 GLU 13 + H GLU 13 OK 91 100 - 91 - 2624=45, 3.0/1085=31...(15) HG2 GLU 98 - H GLU 13 lone 5 73 - 7 - 3.0/1084=1, 3.0/1085=1...(4) HG3 GLN 100 - H GLU 13 lone 3 92 - 3 - HB3 PHE 120 - H GLU 13 lone 1 65 - 2 - HB3 TYR 27 - H GLU 13 lone 1 90 - 1 - Peak 1087 from nnoeabs.peaks (2.31, 8.29, 119.33 ppm; 3.43 A): 2 out of 8 assignments used, quality = 0.88: * HG3 GLU 13 + H GLU 13 OK 84 100 - 85 - 5.0=33, 1.8/2624=29...(13) HG2 GLU 92 + H GLU 13 OK 20 98 - 21 - 2630=6, 3.0/1084=4...(6) HG3 GLU 89 - H GLU 13 lone 6 100 - 6 - 2630=2 HG3 GLU 48 - H GLU 13 lone 2 94 - 2 - HG3 GLU 87 - H GLU 13 lone 1 77 - 1 - HG2 GLU 87 - H GLU 13 lone 1 77 - 1 - HG3 GLU 103 - H GLU 13 lone 1 84 - 1 - HG2 GLU 47 - H GLU 13 lone 1 77 - 1 - Peak 1088 from nnoeabs.peaks (7.58, 7.58, 121.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 14 + H LEU 14 OK 100 100 - 100 Peak 1089 from nnoeabs.peaks (3.98, 7.58, 121.68 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 14 + H LEU 14 OK 100 100 - 100 - 3.0=100 Peak 1090 from nnoeabs.peaks (1.82, 7.58, 121.68 ppm; 3.34 A): 4 out of 11 assignments used, quality = 0.90: * HB2 LEU 14 + H LEU 14 OK 83 100 - 83 - 4.0=56, 1.8/1091=23...(10) QE MET 121 + H LEU 14 OK 17 97 - 17 - 10585/3.0=8, 3.4/9162=2...(4) HB ILE 18 + H LEU 14 OK 16 100 - 16 - 3.9/92=5, ~9196=3...(7) HG12 ILE 5 + H LEU 14 OK 10 73 - 14 - ~9063=3, ~9196=3...(6) HB ILE 57 - H LEU 14 lone 5 100 - 5 - 70/4.6=2 HB3 LYS 19 - H LEU 14 lone 3 90 - 3 - 4.0/1997=2 HB3 LYS 77 - H LEU 14 lone 1 65 - 2 - 4.0/62=2 HB ILE 3 - H LEU 14 lone 1 70 - 1 - HB3 ARG 105 - H LEU 14 lone 1 97 - 1 - HB ILE 97 - H LEU 14 lone 0 77 - 1 - HG2 ARG 105 - H LEU 14 lone 0 65 - 1 - Peak 1091 from nnoeabs.peaks (1.50, 7.58, 121.68 ppm; 3.35 A): 2 out of 12 assignments used, quality = 0.88: * HB3 LEU 14 + H LEU 14 OK 83 100 - 83 - 4.0=57, 1.8/1090=22...(10) HD3 LYS 17 + H LEU 14 OK 27 61 - 44 - 1.8/2860=8, 3.0/2840=8...(12) HG2 LYS 20 - H LEU 14 lone 7 96 - 7 - 11542/3.0=2, ~11543=1...(4) QB ALA 124 - H LEU 14 lone 3 98 - 3 - HB3 LEU 45 - H LEU 14 lone 3 87 - 4 - HG2 LYS 43 - H LEU 14 lone 1 77 - 1 - HB2 LEU 6 - H LEU 14 lone 1 92 - 1 - HG2 ARG 30 - H LEU 14 lone 1 100 - 1 - HG3 ARG 118 - H LEU 14 lone 1 77 - 1 - HD2 LYS 53 - H LEU 14 lone 1 65 - 1 - HB3 ARG 30 - H LEU 14 lone 0 73 - 0 - HB2 LYS 61 - H LEU 14 lone 0 61 - 0 - Peak 1092 from nnoeabs.peaks (1.38, 7.58, 121.68 ppm; 3.98 A): 2 out of 7 assignments used, quality = 0.89: * HG LEU 14 + H LEU 14 OK 85 100 - 85 - 5.3=42, 3.0/1091=23...(9) HG3 LYS 16 + H LEU 14 OK 26 65 - 40 - 1.8/7368=11, 7369=8...(9) HB3 LEU 114 - H LEU 14 poor 6 61 - 10 - ~9163=3, 72/4.6=2...(5) HG2 LYS 40 - H LEU 14 lone 4 100 - 4 - 2.7/9162=1 HG2 LYS 94 - H LEU 14 lone 3 94 - 4 - HG3 LYS 43 - H LEU 14 lone 2 96 - 2 - HB3 LEU 68 - H LEU 14 lone 1 100 - 1 - Peak 1093 from nnoeabs.peaks (0.86, 7.58, 121.68 ppm; 3.71 A): 3 out of 11 assignments used, quality = 0.96: * QD1 LEU 14 + H LEU 14 OK 90 100 - 90 - 4.3=62, 2.1/1092=21...(12) QG2 ILE 15 + H LEU 14 OK 46 87 - 53 - 4.1/1863=20, 3.0/1094=8...(11) QG2 THR 9 + H LEU 14 OK 34 99 - 34 - 9125/4.6=12, 10756/5.3=9...(7) HG13 ILE 5 - H LEU 14 OK 16 84 - 19 - ~9063=4, ~9196=3...(6) QG2 VAL 22 - H LEU 14 OK 11 99 - 11 - 2.1/9160=3, ~7977=2...(4) QG2 ILE 5 - H LEU 14 OK 11 65 - 17 - ~9063=3, ~9196=3...(6) HG13 ILE 57 - H LEU 14 lone 5 100 - 5 - 73/4.6=2, 2.9/1090=1 QG2 VAL 107 - H LEU 14 lone 4 94 - 5 - QG2 VAL 117 - H LEU 14 lone 4 98 - 4 - QG1 VAL 32 - H LEU 14 lone 3 96 - 3 - QG2 ILE 57 - H LEU 14 lone 3 61 - 5 - 2.1/1090=1, 1098/4.6=1 Peak 1094 from nnoeabs.peaks (0.76, 7.58, 121.68 ppm; 3.72 A): 2 out of 11 assignments used, quality = 0.95: * QD2 LEU 14 + H LEU 14 OK 90 100 - 90 - 4.3=63, 2.1/1092=21...(16) QD1 ILE 15 + H LEU 14 OK 50 100 - 50 - 2713/4.6=15, 2.1/9160=9...(13) QD1 LEU 45 - H LEU 14 lone 5 94 - 5 - 9439/9135=1 QD1 ILE 7 - H LEU 14 lone 5 99 - 5 - QG1 VAL 107 - H LEU 14 lone 5 100 - 5 - QG2 ILE 54 - H LEU 14 lone 5 70 - 7 - 3.1/9160=2, ~9164=1...(4) QG2 VAL 32 - H LEU 14 lone 3 100 - 3 - QD1 LEU 80 - H LEU 14 lone 2 87 - 3 - QD1 LEU 82 - H LEU 14 lone 2 77 - 3 - QD2 LEU 80 - H LEU 14 lone 2 84 - 2 - QG2 ILE 7 - H LEU 14 lone 1 61 - 2 - Peak 1095 from nnoeabs.peaks (8.24, 8.24, 119.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 15 + H ILE 15 OK 100 100 - 100 Peak 1096 from nnoeabs.peaks (3.22, 8.24, 119.48 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 15 + H ILE 15 OK 100 100 - 100 - 2.9=100 Peak 1097 from nnoeabs.peaks (1.92, 8.24, 119.48 ppm; 3.25 A): 2 out of 22 assignments used, quality = 0.88: * HB ILE 15 + H ILE 15 OK 86 100 - 86 - 3.8=60, 2.9/1099=18...(11) HB3 LYS 17 + H ILE 15 OK 18 97 - 19 - 7979/3.6=6, 4.0/1987=6...(6) HG2 MET 121 - H ILE 15 lone 6 100 - 6 - 3.4/70=2, 7979/3.6=2 HB2 LYS 115 - H ILE 15 lone 3 84 - 3 - 4.0/1864=2 HB2 LEU 45 - H ILE 15 lone 2 90 - 3 - HB2 LYS 43 - H ILE 15 lone 2 96 - 2 - HB3 LYS 115 - H ILE 15 lone 2 61 - 3 - 4.0/1864=2 HB2 LEU 81 - H ILE 15 lone 2 99 - 2 - HB3 LYS 43 - H ILE 15 lone 1 81 - 2 - HB3 LYS 123 - H ILE 15 lone 1 100 - 1 - HB2 LYS 44 - H ILE 15 lone 1 99 - 1 - HB3 LYS 44 - H ILE 15 lone 1 94 - 1 - HB2 LEU 127 - H ILE 15 lone 1 65 - 1 - HB ILE 71 - H ILE 15 lone 1 61 - 1 - HB2 LYS 123 - H ILE 15 lone 1 61 - 1 - HB2 LYS 39 - H ILE 15 lone 1 61 - 1 - HB3 LYS 65 - H ILE 15 lone 0 65 - 1 - HB2 LYS 96 - H ILE 15 lone 0 81 - 1 - HB2 GLU 128 - H ILE 15 lone 0 81 - 1 - HB2 LYS 65 - H ILE 15 lone 0 61 - 1 - HB2 ARG 95 - H ILE 15 lone 0 65 - 1 - HB2 LYS 49 - H ILE 15 lone 0 73 - 0 - Peak 1098 from nnoeabs.peaks (0.85, 8.24, 119.48 ppm; 3.35 A): 2 out of 9 assignments used, quality = 0.95: * QG2 ILE 15 + H ILE 15 OK 87 100 - 87 - 4.1=56, 2.1/1097=22...(12) QD1 LEU 14 + H ILE 15 OK 60 87 - 69 - 3.1/71=16, 4.3/1863=15...(13) QG2 THR 9 - H ILE 15 OK 24 73 - 33 - 9125=10, 11097/2.9=7...(11) QG2 ILE 57 - H ILE 15 OK 20 97 - 20 - ~9559=6, 11687/2.9=5...(5) HG13 ILE 57 - H ILE 15 OK 19 87 - 22 - ~9559=8, ~10773=5...(6) HG13 ILE 5 - H ILE 15 OK 17 100 - 17 - 2.1/1100=5, 1.8/70=2...(8) QG2 ILE 5 - H ILE 15 OK 13 98 - 13 - 3.0/1100=4, 3.2/70=2...(5) QG2 VAL 22 - H ILE 15 lone 6 97 - 6 - 2.1/1100=2, 2641/3.6=1 QG2 VAL 117 - H ILE 15 lone 4 65 - 6 - Peak 1099 from nnoeabs.peaks (1.73, 8.24, 119.48 ppm; 3.49 A): 2 out of 8 assignments used, quality = 0.85: * HG12 ILE 15 + H ILE 15 OK 83 100 - 83 - 5.0=35, 2.1/2713=24...(12) HB2 LEU 114 + H ILE 15 OK 14 94 - 14 - 3.9/2190=3, 9163/3.6=3...(6) HB2 LYS 106 - H ILE 15 lone 2 92 - 2 - HB3 LEU 82 - H ILE 15 lone 2 92 - 2 - HB3 LYS 106 - H ILE 15 lone 2 87 - 2 - HB3 LYS 94 - H ILE 15 lone 2 94 - 2 - HG2 ARG 118 - H ILE 15 lone 2 100 - 2 - HB3 LEU 90 - H ILE 15 lone 1 99 - 1 - Peak 1100 from nnoeabs.peaks (0.64, 8.24, 119.48 ppm; 3.66 A): 4 out of 6 assignments used, quality = 0.94: * HG13 ILE 15 + H ILE 15 OK 89 100 - 89 - 5.0=40, 1.8/1099=30...(16) QD1 ILE 5 + H ILE 15 OK 24 87 - 28 - 9063/3.6=5, 2683/2.9=3...(13) QD1 ILE 54 + H ILE 15 OK 13 100 - 13 - 11330/4.6=2, 2683/2.9=2...(5) QG1 VAL 22 + H ILE 15 OK 12 100 - 12 - 9160/4.6=2, 2683/2.9=2...(4) QD1 LEU 4 - H ILE 15 lone 4 98 - 5 - QD1 ILE 71 - H ILE 15 lone 1 65 - 2 - Peak 1101 from nnoeabs.peaks (0.76, 8.24, 119.48 ppm; 3.31 A): 2 out of 11 assignments used, quality = 0.92: * QD1 ILE 15 + H ILE 15 OK 78 100 - 78 - 5.0=28, 2.1/1099=23...(10) QD2 LEU 14 + H ILE 15 OK 66 100 - 66 - 3.1/71=16, 4.3/1863=14...(12) QD1 ILE 7 - H ILE 15 lone 5 100 - 5 - 11584/9125=1, 2684/2.9=1 QD1 LEU 45 - H ILE 15 lone 4 92 - 4 - QG1 VAL 107 - H ILE 15 lone 4 100 - 4 - QG2 ILE 54 - H ILE 15 lone 3 65 - 5 - 3.1/1100=2 QG2 VAL 32 - H ILE 15 lone 2 100 - 2 - QD1 LEU 82 - H ILE 15 lone 2 81 - 2 - QD1 LEU 80 - H ILE 15 lone 1 90 - 1 - QD2 LEU 80 - H ILE 15 lone 1 87 - 1 - QD2 LEU 64 - H ILE 15 lone 0 61 - 1 - Peak 1102 from nnoeabs.peaks (7.60, 7.60, 117.60 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H LYS 16 + H LYS 16 OK 100 100 - 100 H LEU 74 + H LEU 74 OK 95 95 - 100 Peak 1103 from nnoeabs.peaks (3.84, 7.60, 117.60 ppm; 3.31 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 16 + H LYS 16 OK 100 100 - 100 - 3.0=100 Peak 1104 from nnoeabs.peaks (1.88, 7.60, 117.60 ppm; 2.85 A): 4 out of 32 assignments used, quality = 0.94: * HB2 LYS 16 + H LYS 16 OK 65 100 - 65 - 4.0=35, 3.0/2750=12...(10) HB3 LYS 16 + H LYS 16 OK 65 100 - 65 - 4.0=35, 3.0/2750=12...(10) HB3 LYS 73 + H LEU 74 OK 34 75 - 45 - 4.3=28, 4.0/452=8...(5) HB2 LYS 73 + H LEU 74 OK 32 71 - 45 - 4.3=28, 4.0/452=8...(5) HB2 LYS 16 - H LEU 74 OK 12 97 - 12 - 3.0/2750=2, 2730=2...(6) HB3 LYS 16 - H LEU 74 OK 12 97 - 12 - 3.0/2750=2, 2730=2...(6) HB ILE 71 - H LEU 74 OK 11 68 - 17 - 3.0/9790=7, 2.1/1492=3...(6) HB3 LYS 73 - H LYS 16 poor 10 81 - 12 - 2.9/7671=3, 4.0/452=3...(5) HB2 LYS 73 - H LYS 16 poor 9 77 - 12 - 2.9/7671=3, 4.0/452=3...(5) QE MET 42 - H LEU 74 poor 8 75 - 10 - 11277/4.8=4, 9429/3.8=2...(5) QE MET 42 - H LYS 16 lone 4 81 - 5 - HB2 LYS 20 - H LYS 16 lone 4 92 - 4 - 85/4.6=1 HB3 LYS 20 - H LYS 16 lone 4 92 - 4 - 85/4.6=1 HG LEU 45 - H LEU 74 lone 3 97 - 3 - HB3 LYS 20 - H LEU 74 lone 3 86 - 3 - HB2 LYS 20 - H LEU 74 lone 3 86 - 3 - HB ILE 71 - H LYS 16 lone 3 73 - 4 - 3.0/9790=1 QE MET 67 - H LYS 16 lone 2 100 - 2 - HG LEU 45 - H LYS 16 lone 1 100 - 1 - HB3 ARG 118 - H LYS 16 lone 1 94 - 1 - HB ILE 7 - H LYS 16 lone 1 87 - 1 - HG2 ARG 95 - H LEU 74 lone 1 96 - 1 - HG2 ARG 95 - H LYS 16 lone 1 99 - 1 - QE MET 67 - H LEU 74 lone 1 97 - 1 - HB3 ARG 118 - H LEU 74 lone 1 89 - 1 - HB2 ARG 95 - H LYS 16 lone 1 70 - 1 - HB2 LEU 63 - H LEU 74 lone 1 89 - 1 - HB2 LEU 63 - H LYS 16 lone 1 94 - 1 - HB2 LYS 49 - H LEU 74 lone 1 56 - 1 - HB ILE 7 - H LEU 74 lone 1 81 - 1 - HB2 LYS 49 - H LYS 16 lone 1 61 - 1 - HB2 ARG 95 - H LEU 74 lone 0 64 - 1 - Peak 1105 from nnoeabs.peaks (1.88, 7.60, 117.60 ppm; 2.85 A): 4 out of 32 assignments used, quality = 0.95: * HB3 LYS 16 + H LYS 16 OK 65 100 - 65 - 4.0=35, 3.0/2750=12...(10) HB2 LYS 16 + H LYS 16 OK 65 100 - 65 - 4.0=35, 3.0/2750=12...(10) HB3 LYS 73 + H LEU 74 OK 35 78 - 45 - 4.3=28, 4.0/452=8...(5) HB2 LYS 73 + H LEU 74 OK 34 75 - 45 - 4.3=28, 4.0/452=8...(5) HB3 LYS 16 - H LEU 74 OK 12 97 - 12 - 3.0/2750=2, 2730=2...(6) HB2 LYS 16 - H LEU 74 OK 12 97 - 12 - 3.0/2750=2, 2730=2...(6) HB ILE 71 - H LEU 74 OK 12 71 - 17 - 3.0/9790=7, 2.1/1492=3...(6) HB3 LYS 73 - H LYS 16 poor 10 84 - 12 - 2.9/7671=3, 4.0/452=3...(5) HB2 LYS 73 - H LYS 16 poor 10 81 - 12 - 2.9/7671=3, 4.0/452=3...(5) QE MET 42 - H LEU 74 lone 7 71 - 10 - 11277/4.8=4, 9429/3.8=2...(4) HB3 LYS 20 - H LYS 16 lone 4 94 - 4 - 85/4.6=1 HB2 LYS 20 - H LYS 16 lone 4 94 - 4 - 85/4.6=1 QE MET 42 - H LYS 16 lone 3 77 - 4 - HG LEU 45 - H LEU 74 lone 3 97 - 3 - HB3 LYS 20 - H LEU 74 lone 3 89 - 3 - HB2 LYS 20 - H LEU 74 lone 3 89 - 3 - HB ILE 71 - H LYS 16 lone 3 77 - 4 - 3.0/9790=1 QE MET 67 - H LYS 16 lone 2 100 - 2 - HG LEU 45 - H LYS 16 lone 1 100 - 1 - HB ILE 7 - H LYS 16 lone 1 90 - 1 - HB3 ARG 118 - H LYS 16 lone 1 92 - 1 - HG2 ARG 95 - H LEU 74 lone 1 95 - 1 - HG2 ARG 95 - H LYS 16 lone 1 99 - 1 - QE MET 67 - H LEU 74 lone 1 97 - 1 - HB2 ARG 95 - H LYS 16 lone 1 73 - 1 - HB3 ARG 118 - H LEU 74 lone 1 86 - 1 - HB2 LYS 49 - H LEU 74 lone 1 60 - 1 - HB2 LEU 63 - H LEU 74 lone 1 86 - 1 - HB2 LEU 63 - H LYS 16 lone 1 92 - 1 - HB ILE 7 - H LEU 74 lone 1 84 - 1 - HB2 LYS 49 - H LYS 16 lone 1 65 - 1 - HB2 ARG 95 - H LEU 74 lone 1 68 - 1 - Peak 1106 from nnoeabs.peaks (1.63, 7.60, 117.60 ppm; 3.02 A): 3 out of 24 assignments used, quality = 0.77: * HG2 LYS 16 + H LYS 16 OK 67 100 - 67 - 5.0=22, 1.8/2760=14...(16) HG3 LYS 40 + H LYS 16 OK 22 97 - 23 - 2724/3.0=4, 1.8/1107=3...(9) HG2 LYS 16 + H LEU 74 OK 12 97 - 12 - 2750=4, 1.8/2760=3...(5) HB2 LEU 82 - H LYS 16 lone 5 98 - 5 - 1.8/79=2 HB ILE 116 - H LYS 16 lone 3 100 - 3 - HB3 LEU 64 - H LYS 16 lone 3 100 - 3 - HB ILE 5 - H LYS 16 lone 2 61 - 4 - 2.1/78=1 HG3 LYS 40 - H LEU 74 lone 2 92 - 2 - HB2 LEU 82 - H LEU 74 lone 2 94 - 2 - HG LEU 64 - H LYS 16 lone 2 77 - 2 - HD2 LYS 77 - H LYS 16 lone 1 100 - 1 - HD3 LYS 77 - H LYS 16 lone 1 99 - 1 - HB3 LEU 64 - H LEU 74 lone 1 97 - 1 - HB ILE 116 - H LEU 74 lone 1 96 - 1 - HG LEU 64 - H LEU 74 lone 1 71 - 1 - HG LEU 63 - H LYS 16 lone 1 97 - 1 - HG LEU 90 - H LYS 16 lone 1 87 - 1 - HG LEU 63 - H LEU 74 lone 1 92 - 1 - HB ILE 5 - H LEU 74 lone 1 56 - 1 - HB3 LEU 127 - H LYS 16 lone 1 81 - 1 - HG LEU 90 - H LEU 74 lone 0 81 - 1 - HD2 LYS 77 - H LEU 74 lone 0 96 - 0 - HD3 LYS 77 - H LEU 74 lone 0 96 - 0 - HB3 LEU 127 - H LEU 74 lone 0 75 - 0 - Peak 1107 from nnoeabs.peaks (1.40, 7.60, 117.60 ppm; 3.71 A): 5 out of 14 assignments used, quality = 0.94: * HG3 LYS 16 + H LYS 16 OK 85 100 - 85 - 5.0=40, 1.8/2750=26...(17) HG2 LYS 40 + H LYS 16 OK 21 70 - 31 - 1.8/1106=7, 2725/3.0=5...(11) HB3 LEU 114 + H LYS 16 OK 20 100 - 20 - 1.8/79=4, 7883=3...(8) HG3 LYS 16 + H LEU 74 OK 18 97 - 19 - 2760=6, 1.8/2750=5...(7) HG LEU 14 + H LYS 16 OK 17 65 - 26 - 9179/3.6=6, 2.1/81=5...(7) QB ALA 113 - H LYS 16 poor 9 81 - 11 - 10408=2, 10406/4.6=2...(4) HB3 LEU 114 - H LEU 74 lone 8 97 - 8 - 1.8/79=2, 7883=2 HG3 LYS 106 - H LYS 16 lone 3 98 - 3 - QB ALA 113 - H LEU 74 lone 3 75 - 4 - HG LEU 14 - H LEU 74 lone 2 60 - 4 - HG2 LYS 40 - H LEU 74 lone 2 64 - 3 - HB3 LEU 68 - H LYS 16 lone 1 77 - 2 - HG3 LYS 106 - H LEU 74 lone 1 94 - 1 - HB3 LEU 68 - H LEU 74 lone 1 71 - 1 - Peak 1108 from nnoeabs.peaks (1.69, 7.60, 117.60 ppm; 3.04 A): 4 out of 46 assignments used, quality = 0.92: * HD2 LYS 16 + H LYS 16 OK 61 100 - 61 - 2.9/2750=13, 6.1=13...(17) HD3 LYS 16 + H LYS 16 OK 61 100 - 61 - 2.9/2750=13, 6.1=13...(17) HG LEU 74 + H LEU 74 OK 35 60 - 58 - 4.9=24, 2.1/5248=13...(9) HD2 LYS 73 + H LEU 74 OK 24 97 - 24 - 3.0/7671=6, 3.0/457=4...(8) HD3 LYS 73 - H LEU 74 OK 24 97 - 24 - 3.0/7671=6, 3.0/457=4...(8) HD2 LYS 40 - H LYS 16 OK 23 99 - 24 - 2.9/1106=4, 2770=2...(15) HD3 LYS 40 - H LYS 16 OK 23 99 - 24 - 2.9/1106=4, 2770=2...(15) HD2 LYS 17 - H LYS 16 OK 15 99 - 16 - 2860/4.6=5, 11478/4.1=3...(4) HG12 ILE 71 - H LEU 74 OK 15 91 - 17 - 3.9/9790=7, 3.2/1492=3...(5) HD2 LYS 73 - H LYS 16 OK 12 100 - 12 - 3.0/7671=3, 3.0/457=2, 6.4/452=1 HD3 LYS 73 - H LYS 16 OK 12 100 - 12 - 3.0/7671=3, 3.0/457=2, 6.4/452=1 HD2 LYS 16 - H LEU 74 OK 10 97 - 11 - 2.9/2750=3, 2.9/2760=2...(6) HD3 LYS 16 - H LEU 74 OK 10 96 - 10 - 2.9/2750=3, 2.9/2760=2...(6) HG LEU 74 - H LYS 16 poor 7 65 - 11 - 2.1/5241=3, 2.1/5248=3...(4) HD3 LYS 20 - H LYS 16 lone 5 100 - 5 - HD2 LYS 20 - H LYS 16 lone 5 100 - 5 - HD3 LYS 20 - H LEU 74 lone 5 97 - 5 - 5174/3.6=2 HD2 LYS 20 - H LEU 74 lone 5 97 - 5 - 5174/3.6=2 HG12 ILE 71 - H LYS 16 lone 3 96 - 4 - 3.9/9790=1 HD3 LYS 43 - H LEU 74 lone 3 97 - 3 - 5184/3.6=1 HD2 LYS 43 - H LEU 74 lone 3 92 - 3 - 5184/3.6=1 HD2 LYS 17 - H LEU 74 lone 3 95 - 3 - 6.3/82=1 HD2 LYS 40 - H LEU 74 lone 3 96 - 3 - HD3 LYS 40 - H LEU 74 lone 3 95 - 3 - HD2 LYS 44 - H LYS 16 lone 3 77 - 3 - HG3 LYS 123 - H LEU 74 lone 2 78 - 3 - HD3 LYS 44 - H LYS 16 lone 2 70 - 3 - HG3 LYS 123 - H LYS 16 lone 2 84 - 3 - HD3 LYS 43 - H LYS 16 lone 2 100 - 2 - HD2 LYS 43 - H LYS 16 lone 2 97 - 2 - HD3 LYS 96 - H LEU 74 lone 2 96 - 2 - HD2 LYS 44 - H LEU 74 lone 2 71 - 3 - HD2 LYS 96 - H LEU 74 lone 2 95 - 2 - HD3 LYS 44 - H LEU 74 lone 2 64 - 3 - HD3 LYS 96 - H LYS 16 lone 2 100 - 2 - HB ILE 54 - H LYS 16 lone 2 99 - 2 - HD2 LYS 96 - H LYS 16 lone 2 99 - 2 - HG3 ARG 95 - H LEU 74 lone 1 86 - 1 - HG3 LYS 39 - H LEU 74 lone 1 78 - 1 - HG3 ARG 95 - H LYS 16 lone 1 92 - 1 - HG3 LYS 39 - H LYS 16 lone 1 84 - 1 - HB ILE 56 - H LYS 16 lone 1 100 - 1 - HB ILE 54 - H LEU 74 lone 1 96 - 1 - HD3 LYS 39 - H LEU 74 lone 1 56 - 1 - HD3 LYS 39 - H LYS 16 lone 1 61 - 1 - HB ILE 56 - H LEU 74 lone 0 96 - 0 - Peak 1109 from nnoeabs.peaks (1.69, 7.60, 117.60 ppm; 3.04 A): 4 out of 48 assignments used, quality = 0.93: * HD3 LYS 16 + H LYS 16 OK 61 100 - 61 - 2.9/2750=13, 6.1=13...(17) HD2 LYS 16 + H LYS 16 OK 61 100 - 61 - 2.9/2750=13, 6.1=13...(17) HG LEU 74 + H LEU 74 OK 41 71 - 58 - 4.9=24, 2.1/5248=13...(9) HD2 LYS 73 + H LEU 74 OK 23 96 - 24 - 3.0/7671=6, 3.0/457=4...(8) HD3 LYS 73 - H LEU 74 OK 23 95 - 24 - 3.0/7671=6, 3.0/457=4...(8) HD2 LYS 40 - H LYS 16 OK 23 97 - 24 - 2.9/1106=4, 2770=2...(15) HD3 LYS 40 - H LYS 16 OK 23 96 - 24 - 2.9/1106=4, 2770=2...(15) HG12 ILE 71 - H LEU 74 OK 16 95 - 17 - 3.9/9790=7, 3.2/1492=3...(5) HD2 LYS 17 - H LYS 16 OK 14 96 - 15 - 2860/4.6=5, 11478/4.1=3...(4) HD2 LYS 73 - H LYS 16 OK 12 99 - 12 - 3.0/7671=3, 3.0/457=2, 6.4/452=1 HD3 LYS 73 - H LYS 16 OK 12 99 - 12 - 3.0/7671=3, 3.0/457=2, 6.4/452=1 HD3 LYS 16 - H LEU 74 OK 11 97 - 11 - 2.9/2750=3, 2.9/2760=2...(6) HD2 LYS 16 - H LEU 74 OK 10 96 - 11 - 2.9/2750=3, 2.9/2760=2...(6) HG LEU 74 - H LYS 16 poor 9 77 - 12 - 2.1/5241=3, 2.1/5248=3...(4) HD2 LYS 20 - H LYS 16 lone 5 100 - 5 - HD3 LYS 20 - H LYS 16 lone 5 100 - 5 - HD2 LYS 20 - H LEU 74 lone 5 97 - 5 - 5174/3.6=2 HD3 LYS 20 - H LEU 74 lone 5 97 - 5 - 5174/3.6=2 HG12 ILE 71 - H LYS 16 lone 4 99 - 4 - 3.9/9790=1 HD3 LYS 43 - H LEU 74 lone 3 95 - 3 - 5174/3.6=1 HG3 LYS 123 - H LEU 74 lone 3 86 - 3 - HD2 LYS 17 - H LEU 74 lone 3 91 - 3 - 6.3/82=1 HD2 LYS 44 - H LYS 16 lone 3 87 - 3 - HD2 LYS 43 - H LEU 74 lone 3 86 - 3 - 5184/3.6=1 HD2 LYS 40 - H LEU 74 lone 3 92 - 3 - HD3 LYS 40 - H LEU 74 lone 3 91 - 3 - HD3 LYS 44 - H LYS 16 lone 3 81 - 3 - HG3 LYS 123 - H LYS 16 lone 2 92 - 3 - HD2 LYS 44 - H LEU 74 lone 2 81 - 3 - HD3 LYS 44 - H LEU 74 lone 2 75 - 3 - HD3 LYS 43 - H LYS 16 lone 2 99 - 2 - HD2 LYS 43 - H LYS 16 lone 2 92 - 2 - HD3 LYS 96 - H LEU 74 lone 2 94 - 2 - HD2 LYS 96 - H LEU 74 lone 2 91 - 2 - HD3 LYS 96 - H LYS 16 lone 2 98 - 2 - HB ILE 54 - H LYS 16 lone 2 97 - 2 - HD2 LYS 96 - H LYS 16 lone 1 96 - 2 - HG3 LYS 39 - H LEU 74 lone 1 86 - 2 - HG3 LYS 39 - H LYS 16 lone 1 92 - 1 - HG3 ARG 95 - H LEU 74 lone 1 78 - 1 - HG3 ARG 95 - H LYS 16 lone 1 84 - 1 - HB ILE 56 - H LYS 16 lone 1 100 - 1 - HD3 LYS 39 - H LEU 74 lone 1 68 - 1 - HD3 LYS 39 - H LYS 16 lone 1 73 - 1 - HD2 LYS 39 - H LEU 74 lone 1 64 - 1 - HB ILE 54 - H LEU 74 lone 1 92 - 1 - HD2 LYS 39 - H LYS 16 lone 1 70 - 1 - HB ILE 56 - H LEU 74 lone 0 97 - 0 - Peak 1112 from nnoeabs.peaks (7.58, 7.58, 118.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 17 + H LYS 17 OK 100 100 - 100 Peak 1113 from nnoeabs.peaks (3.99, 7.58, 118.83 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 17 + H LYS 17 OK 100 100 - 100 - 3.0=100 Peak 1114 from nnoeabs.peaks (1.99, 7.58, 118.83 ppm; 3.36 A): 2 out of 4 assignments used, quality = 0.90: * HB2 LYS 17 + H LYS 17 OK 87 100 - 87 - 4.0=58, 1.8/1115=23...(12) HB2 LYS 40 + H LYS 17 OK 20 100 - 20 - 3.0/1989=6, 2.7/86=5...(6) HB VAL 22 - H LYS 17 lone 4 94 - 4 - 94/4.6=3 HB3 GLU 103 - H LYS 17 lone 1 98 - 1 - Peak 1115 from nnoeabs.peaks (1.92, 7.58, 118.83 ppm; 3.19 A): 2 out of 16 assignments used, quality = 0.87: * HB3 LYS 17 + H LYS 17 OK 83 100 - 83 - 4.0=49, 1.8/1114=25...(12) HB ILE 15 + H LYS 17 OK 20 97 - 21 - 4.5/82=12, 3.8/1987=5, 95/4.6=2 HB3 LYS 123 - H LYS 17 lone 5 96 - 5 - 2.9/1989=2 HB2 LYS 115 - H LYS 17 lone 5 98 - 5 - 4.0/82=1 HB2 LYS 123 - H LYS 17 lone 4 87 - 4 - 2.9/1989=2 HB3 LYS 115 - H LYS 17 lone 4 87 - 4 - 4.0/82=1 HG2 MET 121 - H LYS 17 lone 3 99 - 3 - 95/4.6=1 HB2 LYS 43 - H LYS 17 lone 2 77 - 3 - HB2 LYS 44 - H LYS 17 lone 2 90 - 2 - HB3 LYS 44 - H LYS 17 lone 1 73 - 2 - HB3 LYS 65 - H LYS 17 lone 1 90 - 1 - HB2 LYS 65 - H LYS 17 lone 1 87 - 1 - HB2 LYS 39 - H LYS 17 lone 1 87 - 1 - HB2 LEU 81 - H LYS 17 lone 1 100 - 1 - HB2 LEU 45 - H LYS 17 lone 1 65 - 1 - HB2 LEU 127 - H LYS 17 lone 1 90 - 1 - Peak 1116 from nnoeabs.peaks (1.75, 7.58, 118.83 ppm; 3.41 A): 3 out of 11 assignments used, quality = 0.89: * HG2 LYS 17 + H LYS 17 OK 85 100 - 85 - 4.9=33, 1.8/1117=22...(16) HG12 ILE 18 + H LYS 17 OK 16 92 - 17 - 4.6/1866=13, 2814/3.0=3, ~9063=1 HB2 LEU 114 + H LYS 17 OK 11 57 - 19 - 1.8/87=5, 2814/3.0=3...(8) HD3 LYS 123 - H LYS 17 lone 5 97 - 5 - 4.6/1989=1 HB2 LEU 80 - H LYS 17 lone 5 100 - 5 - 2814/3.0=2 HB2 LEU 55 - H LYS 17 lone 2 98 - 2 - HB3 LEU 82 - H LYS 17 lone 2 61 - 3 - 1.8/86=1 HB2 LEU 68 - H LYS 17 lone 1 96 - 1 - HG3 ARG 105 - H LYS 17 lone 1 100 - 1 - HB3 LYS 49 - H LYS 17 lone 1 100 - 1 - HB3 LYS 94 - H LYS 17 lone 0 57 - 1 - Peak 1117 from nnoeabs.peaks (1.43, 7.58, 118.83 ppm; 3.73 A): 1 out of 11 assignments used, quality = 0.90: * HG3 LYS 17 + H LYS 17 OK 90 100 - 90 - 4.9=43, 1.8/1116=27...(15) HG12 ILE 56 - H LYS 17 lone 6 100 - 6 - 2815/3.0=2, 97/4.6=1 HB2 LEU 4 - H LYS 17 lone 4 96 - 4 - 2815/3.0=1 HB3 LEU 4 - H LYS 17 lone 4 96 - 4 - 2815/3.0=1 HG LEU 80 - H LYS 17 lone 4 87 - 5 - 2815/3.0=2, 3.0/1116=1 QB ALA 113 - H LYS 17 lone 4 61 - 7 - 10428/3.0=1, 97/4.6=1 HG2 LYS 96 - H LYS 17 lone 4 90 - 4 - HG3 LYS 44 - H LYS 17 lone 3 94 - 3 - HB3 GLN 83 - H LYS 17 lone 3 94 - 3 - 11517/2664=1 HB3 LEU 63 - H LYS 17 lone 2 100 - 2 - HB3 LYS 61 - H LYS 17 lone 1 100 - 1 - Peak 1118 from nnoeabs.peaks (1.68, 7.58, 118.83 ppm; 4.14 A): 3 out of 19 assignments used, quality = 0.99: * HD2 LYS 17 + H LYS 17 OK 91 100 - 91 - 6.3=29, 2862/4.0=25...(18) HD2 LYS 16 + H LYS 17 OK 70 99 - 71 - 2.9/7368=23, 2.9/7369=21...(10) HD3 LYS 16 + H LYS 17 OK 68 96 - 71 - 2.9/7368=23, 2.9/7369=21...(10) HD3 LYS 20 - H LYS 17 OK 42 98 - 43 - 3.0/1119=7, ~11542=6...(14) HD2 LYS 20 - H LYS 17 OK 42 97 - 43 - 3.0/1119=7, ~11542=6...(14) HD2 LYS 40 - H LYS 17 OK 37 100 - 37 - 2.9/86=7, 3.6/1114=6...(13) HD3 LYS 40 - H LYS 17 OK 37 100 - 37 - 2.9/86=7, 3.6/1114=6...(13) HB ILE 56 - H LYS 17 lone 7 96 - 8 - 4.4/1990=2, 2.9/1117=2...(4) HD3 LYS 73 - H LYS 17 lone 7 100 - 7 - 2726/3.6=1, 7674/4.6=1 HD2 LYS 73 - H LYS 17 lone 7 99 - 7 - 2726/3.6=1, 7674/4.6=1 HG3 LYS 123 - H LYS 17 lone 6 65 - 9 - 3.9/1989=2, 2.9/1116=2...(4) HD2 LYS 96 - H LYS 17 lone 6 100 - 6 - 3.0/1117=1 HD3 LYS 96 - H LYS 17 lone 6 100 - 6 - 3.0/1117=1 HD3 LYS 43 - H LYS 17 lone 5 100 - 5 - HD2 LYS 43 - H LYS 17 lone 5 100 - 5 - HG3 ARG 95 - H LYS 17 lone 3 99 - 3 - HB ILE 54 - H LYS 17 lone 2 100 - 2 - HG12 ILE 71 - H LYS 17 lone 2 84 - 2 - HG3 LYS 39 - H LYS 17 lone 1 65 - 2 - Peak 1119 from nnoeabs.peaks (1.52, 7.58, 118.83 ppm; 4.18 A): 2 out of 11 assignments used, quality = 0.94: * HD3 LYS 17 + H LYS 17 OK 90 100 - 90 - 6.3=30, 3.7/1114=25...(14) HG2 LYS 20 + H LYS 17 OK 37 90 - 42 - 11542/3.0=10, ~11543=8...(12) HB3 LEU 14 - H LYS 17 OK 18 61 - 29 - 4.6/1987=10, 3.1/2664=10...(5) HG2 LYS 43 - H LYS 17 lone 5 99 - 5 - 2817/3.0=1 HG LEU 38 - H LYS 17 lone 3 99 - 3 - 9376/3.6=2 HB2 LYS 61 - H LYS 17 lone 2 100 - 2 - QB ALA 124 - H LYS 17 lone 1 84 - 2 - HG LEU 6 - H LYS 17 lone 1 100 - 1 - HB2 LEU 6 - H LYS 17 lone 1 94 - 1 - HB3 ARG 30 - H LYS 17 lone 1 100 - 1 - HG2 ARG 30 - H LYS 17 lone 0 57 - 1 - Peak 1122 from nnoeabs.peaks (8.79, 8.79, 120.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 18 + H ILE 18 OK 100 100 - 100 Peak 1123 from nnoeabs.peaks (3.37, 8.79, 120.96 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 18 + H ILE 18 OK 100 100 - 100 - 3.0=100 Peak 1124 from nnoeabs.peaks (1.82, 8.79, 120.96 ppm; 3.11 A): 6 out of 10 assignments used, quality = 0.90: * HB ILE 18 + H ILE 18 OK 78 100 - 78 - 3.9=49, 2.9/1126=14...(11) HB2 LEU 14 + H ILE 18 OK 17 100 - 17 - 3.0/7981=6, 4.0/92=4...(6) HB3 LYS 19 + H ILE 18 OK 16 84 - 19 - 4.0/1867=12, 4.4/2002=6 HG12 ILE 5 + H ILE 18 OK 15 81 - 19 - 2.1/1128=6, 1.8/9185=3...(6) HB ILE 57 + H ILE 18 OK 12 100 - 12 - 4502/4.6=3, 4.0/1867=3...(5) QE MET 121 + H ILE 18 OK 10 94 - 11 - 10601/4.0=3, 3.4/95=2...(5) HB ILE 3 - H ILE 18 lone 1 77 - 1 - HB3 ARG 105 - H ILE 18 lone 1 99 - 1 - HG2 ARG 105 - H ILE 18 lone 1 73 - 1 - HB ILE 97 - H ILE 18 lone 0 84 - 0 - Peak 1125 from nnoeabs.peaks (0.72, 8.79, 120.96 ppm; 3.26 A): 2 out of 11 assignments used, quality = 0.95: * QG2 ILE 18 + H ILE 18 OK 84 100 - 84 - 4.0=53, 2.1/2907=22...(11) HG13 ILE 18 + H ILE 18 OK 69 90 - 77 - 4.6=35, 1.8/1126=21...(11) QG1 VAL 117 - H ILE 18 OK 30 100 - 30 - 10517/3.0=12, ~10514=9...(5) QD1 ILE 57 - H ILE 18 OK 14 90 - 15 - 4530/4.6=4, 9559/7983=2...(6) QD2 LEU 55 - H ILE 18 poor 8 65 - 12 - 9528/4.6=2, 4.6/9529=2...(7) QD2 LEU 81 - H ILE 18 lone 4 87 - 4 - QG2 VAL 78 - H ILE 18 lone 3 97 - 3 - 2.1/1128=1 QD2 LEU 63 - H ILE 18 lone 2 94 - 2 - QD1 LEU 6 - H ILE 18 lone 1 100 - 1 - QD2 LEU 6 - H ILE 18 lone 1 70 - 1 - QD2 LEU 45 - H ILE 18 lone 1 97 - 1 - Peak 1126 from nnoeabs.peaks (1.76, 8.79, 120.96 ppm; 3.24 A): 2 out of 11 assignments used, quality = 0.86: * HG12 ILE 18 + H ILE 18 OK 76 100 - 76 - 4.6=34, 2.9/2907=18...(12) HG2 LYS 17 + H ILE 18 OK 40 92 - 44 - 3.0/94=14, 3.0/95=11...(6) HB2 LEU 55 - H ILE 18 lone 7 99 - 7 - 3.1/9527=2, 4.6/9529=1 HB2 LEU 80 - H ILE 18 lone 2 87 - 3 - 2814/3.6=1 HD3 LYS 123 - H ILE 18 lone 1 70 - 2 - HB VAL 32 - H ILE 18 lone 1 90 - 1 - HG3 ARG 105 - H ILE 18 lone 1 84 - 1 - HB3 GLN 28 - H ILE 18 lone 1 65 - 1 - HB3 LYS 49 - H ILE 18 lone 0 92 - 1 - HB2 LEU 90 - H ILE 18 lone 0 90 - 0 - HB2 LEU 68 - H ILE 18 lone 0 65 - 1 - Peak 1127 from nnoeabs.peaks (0.73, 8.79, 120.96 ppm; 3.26 A): 2 out of 11 assignments used, quality = 0.94: * HG13 ILE 18 + H ILE 18 OK 77 100 - 77 - 4.6=35, 1.8/1126=21...(12) QG2 ILE 18 + H ILE 18 OK 75 90 - 84 - 4.0=53, 2.1/2907=22...(11) QG1 VAL 117 - H ILE 18 OK 28 96 - 29 - 10517/3.0=11, ~10514=9...(5) QD2 LEU 55 - H ILE 18 OK 15 97 - 16 - 9528/4.6=3, 9527=2...(8) QG2 ILE 7 - H ILE 18 lone 5 77 - 7 - 11582/5.0=2, 11076/4.6=2 QG2 VAL 78 - H ILE 18 lone 3 99 - 3 - 2.1/1128=1 QD2 LEU 6 - H ILE 18 lone 2 98 - 2 - QD1 LEU 63 - H ILE 18 lone 2 87 - 2 - QG2 ILE 54 - H ILE 18 lone 1 70 - 1 - QD2 LEU 45 - H ILE 18 lone 1 99 - 1 - QD1 LEU 6 - H ILE 18 lone 1 81 - 1 - Peak 1128 from nnoeabs.peaks (0.61, 8.79, 120.96 ppm; 3.71 A): 2 out of 3 assignments used, quality = 0.90: * QD1 ILE 18 + H ILE 18 OK 86 100 - 86 - 5.0=40, 2.1/1126=23...(13) QD1 ILE 5 + H ILE 18 OK 32 90 - 36 - 2935=8, 2906/3.0=7...(9) QG1 VAL 78 - H ILE 18 lone 6 100 - 6 - 2906/3.0=1 Peak 1129 from nnoeabs.peaks (8.53, 8.53, 118.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 19 + H LYS 19 OK 100 100 - 100 Peak 1130 from nnoeabs.peaks (3.68, 8.53, 118.32 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 19 + H LYS 19 OK 100 100 - 100 - 3.0=100 Peak 1131 from nnoeabs.peaks (1.79, 8.53, 118.32 ppm; 3.18 A): 1 out of 9 assignments used, quality = 0.78: * HB2 LYS 19 + H LYS 19 OK 78 100 - 79 - 4.0=50, 3.0/1133=16...(10) HG12 ILE 5 - H LYS 19 poor 6 61 - 11 - 2.1/108=4, 1.8/10781=2 HB VAL 32 - H LYS 19 lone 6 87 - 7 - 3.9/11348=3 HB2 LEU 64 - H LYS 19 lone 4 100 - 4 - ~11520=1 HB3 GLN 28 - H LYS 19 lone 3 99 - 3 - 4.6/102=1 HB2 ARG 118 - H LYS 19 lone 1 90 - 1 - HB2 LEU 90 - H LYS 19 lone 1 87 - 1 - HG2 ARG 105 - H LYS 19 lone 1 70 - 1 - HB ILE 3 - H LYS 19 lone 0 65 - 1 - Peak 1132 from nnoeabs.peaks (1.83, 8.53, 118.32 ppm; 3.28 A): 3 out of 10 assignments used, quality = 0.95: * HB3 LYS 19 + H LYS 19 OK 85 100 - 85 - 4.0=55, 1.8/1131=29...(11) HB ILE 18 + H LYS 19 OK 57 84 - 68 - 4.5=40, 3.9/1867=14...(9) HB ILE 57 + H LYS 19 OK 30 90 - 33 - 4502=7, 3.2/4530=6...(9) QE MET 121 - H LYS 19 lone 9 99 - 9 - 10601/3.7=4, 10599/4516=1 HB2 LEU 14 - H LYS 19 lone 6 90 - 7 - 4.0/1997=2, 1124/4.6=1...(4) HB3 LYS 77 - H LYS 19 lone 1 97 - 1 - HB2 LYS 77 - H LYS 19 lone 1 94 - 1 - HB3 ARG 105 - H LYS 19 lone 1 65 - 1 - HD2 LYS 123 - H LYS 19 lone 0 94 - 1 - HG LEU 70 - H LYS 19 lone 0 81 - 0 - Peak 1133 from nnoeabs.peaks (1.10, 8.53, 118.32 ppm; 4.28 A): 1 out of 3 assignments used, quality = 0.94: * HG2 LYS 19 + H LYS 19 OK 94 100 - 94 - 5.0=63, 3.0/1131=32...(12) HG2 LYS 53 - H LYS 19 lone 2 90 - 2 - HD3 LYS 61 - H LYS 19 lone 1 100 - 1 - Peak 1134 from nnoeabs.peaks (1.60, 8.53, 118.32 ppm; 3.42 A): 3 out of 9 assignments used, quality = 0.99: * HG3 LYS 19 + H LYS 19 OK 78 100 - 78 - 5.0=32, 1.8/1133=23...(12) HD3 LYS 19 + H LYS 19 OK 74 100 - 74 - 3.0/1133=19, 3.6/1131=19...(15) HD2 LYS 19 + H LYS 19 OK 74 100 - 74 - 3.0/1133=19, 3.6/1131=19...(15) HG2 LYS 73 - H LYS 19 lone 3 100 - 3 - 114/4.5=2 HG LEU 82 - H LYS 19 lone 1 100 - 1 - HG LEU 68 - H LYS 19 lone 1 96 - 1 - HG12 ILE 116 - H LYS 19 lone 0 87 - 1 - HG2 LYS 44 - H LYS 19 lone 0 81 - 1 - HB3 LEU 127 - H LYS 19 lone 0 70 - 0 - Peak 1137 from nnoeabs.peaks (2.70, 8.53, 118.32 ppm; 5.91 A): 2 out of 8 assignments used, quality = 1.00: HE3 LYS 19 + H LYS 19 OK 97 100 - 97 - 7.1=57, 4.0/1133=41...(15) * HE2 LYS 19 + H LYS 19 OK 97 100 - 97 - 7.1=57, 4.0/1133=41...(15) HE2 LYS 61 - H LYS 19 lone 3 84 - 4 - HB2 ASN 50 - H LYS 19 lone 2 97 - 2 - HB3 ASP 110 - H LYS 19 lone 2 65 - 4 - HB3 ASN 50 - H LYS 19 lone 2 96 - 2 - HB3 ASN 33 - H LYS 19 lone 2 92 - 2 - HE3 LYS 53 - H LYS 19 lone 2 65 - 3 - Peak 1139 from nnoeabs.peaks (7.30, 7.30, 116.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 20 + H LYS 20 OK 100 100 - 100 Peak 1140 from nnoeabs.peaks (4.09, 7.30, 116.28 ppm; 3.19 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 20 + H LYS 20 OK 100 100 - 100 - 3.0=100 Peak 1141 from nnoeabs.peaks (1.89, 7.30, 116.28 ppm; 2.79 A): 2 out of 21 assignments used, quality = 0.92: * HB2 LYS 20 + H LYS 20 OK 72 100 - 72 - 3.9=36, 2.9/3072=11...(17) HB3 LYS 20 + H LYS 20 OK 72 100 - 72 - 3.9=36, 2.9/3072=11...(17) HB3 LYS 73 - H LYS 20 OK 14 99 - 14 - 2.9/1144=3, 3052=2...(6) HB2 LYS 73 - H LYS 20 OK 14 99 - 14 - 2.9/1144=3, 3042=2...(6) HB3 LYS 16 - H LYS 20 OK 12 94 - 13 - 3.0/2004=6, 3042=2, 1.8/3042=1 HB2 LYS 16 - H LYS 20 OK 12 92 - 13 - 3.0/2004=6, 3042=2, 1.8/3052=1 HB3 LYS 43 - H LYS 20 OK 11 90 - 13 - 3.0/1143=2, 3042=2...(5) HB2 LYS 43 - H LYS 20 poor 9 70 - 13 - 3.0/1143=2, 1.8/3042=2...(4) HG LEU 45 - H LYS 20 lone 2 96 - 2 - HB2 LEU 45 - H LYS 20 lone 2 81 - 2 - HB2 LYS 96 - H LYS 20 lone 2 90 - 2 - HB2 LEU 63 - H LYS 20 lone 2 61 - 3 - 4.0/1869=1 HB2 ARG 95 - H LYS 20 lone 2 97 - 2 - HB3 ARG 118 - H LYS 20 lone 1 61 - 2 - HG2 ARG 95 - H LYS 20 lone 1 81 - 1 - QE MET 67 - H LYS 20 lone 1 92 - 1 - HB3 LYS 44 - H LYS 20 lone 1 73 - 1 - HB ILE 71 - H LYS 20 lone 0 98 - 0 - HB ILE 7 - H LYS 20 lone 0 100 - 0 - HB2 LYS 49 - H LYS 20 lone 0 94 - 0 - HB2 GLU 128 - H LYS 20 lone 0 90 - 0 - Peak 1142 from nnoeabs.peaks (1.89, 7.30, 116.28 ppm; 2.79 A): 2 out of 21 assignments used, quality = 0.92: HB2 LYS 20 + H LYS 20 OK 72 100 - 72 - 3.9=36, 2.9/3072=11...(17) * HB3 LYS 20 + H LYS 20 OK 72 100 - 72 - 3.9=36, 2.9/3072=11...(17) HB3 LYS 73 - H LYS 20 OK 14 99 - 14 - 2.9/1144=3, 3052=2...(6) HB2 LYS 73 - H LYS 20 OK 14 99 - 14 - 2.9/1144=3, 3042=2...(6) HB3 LYS 16 - H LYS 20 OK 12 94 - 13 - 3.0/2004=6, 3042=2, 1.8/3042=1 HB2 LYS 16 - H LYS 20 OK 12 92 - 13 - 3.0/2004=6, 3042=2, 1.8/3052=1 HB3 LYS 43 - H LYS 20 OK 11 90 - 13 - 3.0/1143=2, 3042=2...(5) HB2 LYS 43 - H LYS 20 poor 9 70 - 13 - 3.0/1143=2, 1.8/3042=2...(4) HG LEU 45 - H LYS 20 lone 2 96 - 2 - HB2 LEU 45 - H LYS 20 lone 2 81 - 2 - HB2 LYS 96 - H LYS 20 lone 2 90 - 2 - HB2 LEU 63 - H LYS 20 lone 2 61 - 3 - 4.0/1869=1 HB2 ARG 95 - H LYS 20 lone 2 97 - 2 - HB3 ARG 118 - H LYS 20 lone 1 61 - 2 - HG2 ARG 95 - H LYS 20 lone 1 81 - 1 - QE MET 67 - H LYS 20 lone 1 92 - 1 - HB3 LYS 44 - H LYS 20 lone 1 73 - 1 - HB ILE 71 - H LYS 20 lone 0 98 - 0 - HB ILE 7 - H LYS 20 lone 0 100 - 0 - HB2 LYS 49 - H LYS 20 lone 0 94 - 0 - HB2 GLU 128 - H LYS 20 lone 0 90 - 0 - Peak 1143 from nnoeabs.peaks (1.51, 7.30, 116.28 ppm; 3.96 A): 2 out of 11 assignments used, quality = 0.95: * HG2 LYS 20 + H LYS 20 OK 93 100 - 93 - 4.9=52, 1.8/3072=30...(24) HG2 LYS 43 + H LYS 20 OK 29 97 - 30 - 3841/3.0=8, ~3851=3...(9) HD3 LYS 17 - H LYS 20 OK 18 90 - 20 - 4.8/7995=15, 1.8/1145=2...(4) HB3 LEU 14 - H LYS 20 OK 15 96 - 16 - 3.0/2003=5, 1.8/112=3...(7) QB ALA 124 - H LYS 20 lone 5 100 - 5 - HG LEU 38 - H LYS 20 lone 3 77 - 4 - HB2 LEU 6 - H LYS 20 lone 2 100 - 2 - HG LEU 6 - H LYS 20 lone 2 81 - 2 - HB2 LYS 61 - H LYS 20 lone 2 90 - 2 - HB3 ARG 30 - H LYS 20 lone 1 96 - 2 - HG2 ARG 30 - H LYS 20 lone 1 94 - 1 - Peak 1144 from nnoeabs.peaks (1.48, 7.30, 116.28 ppm; 3.87 A): 3 out of 14 assignments used, quality = 0.95: * HG3 LYS 20 + H LYS 20 OK 91 100 - 91 - 4.9=48, 1.8/3062=25...(24) HG3 LYS 73 + H LYS 20 OK 29 100 - 29 - 3037/3.0=6, 1.8/114=4...(11) HG12 ILE 57 + H LYS 20 OK 21 73 - 28 - 2.1/9203=10, 2.9/112=5...(8) HG3 ARG 118 - H LYS 20 lone 5 97 - 5 - 3.9/1869=2 HB3 LEU 45 - H LYS 20 lone 5 92 - 5 - 3037/3.0=1 HG2 LYS 39 - H LYS 20 lone 4 61 - 6 - 3.8/2004=4 HB3 LEU 38 - H LYS 20 lone 3 77 - 4 - HB2 LEU 74 - H LYS 20 lone 2 92 - 2 - HB3 LEU 6 - H LYS 20 lone 2 65 - 2 - HG2 LYS 106 - H LYS 20 lone 1 73 - 1 - HD2 LYS 53 - H LYS 20 lone 1 99 - 1 - HG2 LYS 49 - H LYS 20 lone 1 65 - 1 - HG3 LYS 49 - H LYS 20 lone 1 65 - 1 - HG12 ILE 7 - H LYS 20 lone 1 70 - 1 - Peak 1145 from nnoeabs.peaks (1.69, 7.30, 116.28 ppm; 4.52 A): 2 out of 24 assignments used, quality = 1.00: * HD2 LYS 20 + H LYS 20 OK 94 100 - 94 - 6.2=38, 3.0/3072=31...(24) HD3 LYS 20 + H LYS 20 OK 94 100 - 94 - 6.2=38, 3.0/3072=31...(24) HD3 LYS 43 - H LYS 20 OK 41 99 - 41 - 2.9/1143=6, ~3841=5...(18) HD2 LYS 73 - H LYS 20 OK 39 100 - 39 - 3.0/1144=7, 3.0/114=4...(17) HD2 LYS 43 - H LYS 20 OK 38 94 - 41 - 2.9/1143=6, ~3841=5...(18) HD3 LYS 73 - H LYS 20 OK 38 99 - 39 - 3.0/1144=7, 3.0/114=4...(17) HD2 LYS 17 - H LYS 20 OK 27 97 - 28 - 4.8/7995=20, 1.8/1143=5, ~3036=1 HD2 LYS 16 - H LYS 20 OK 22 100 - 22 - 5.2/7993=14, 3.6/1141=2...(4) HD3 LYS 16 - H LYS 20 OK 22 100 - 22 - 5.2/7993=14, 3.6/1142=2...(4) HB ILE 56 - H LYS 20 OK 14 100 - 14 - 2.1/9203=7, 4.4/109=6 HD2 LYS 40 - H LYS 20 OK 10 98 - 11 - 3039/3.0=1 HD3 LYS 40 - H LYS 20 OK 10 97 - 11 - 3039/3.0=1 HD3 LYS 96 - H LYS 20 lone 9 99 - 9 - HD2 LYS 96 - H LYS 20 lone 9 97 - 9 - HG3 LYS 39 - H LYS 20 lone 7 90 - 8 - 3.8/2004=5, 1.8/1144=1 HD3 LYS 39 - H LYS 20 lone 5 70 - 7 - 5.3/2004=4 HD2 LYS 39 - H LYS 20 lone 4 65 - 7 - 5.3/2004=4 HG3 ARG 95 - H LYS 20 lone 4 87 - 4 - HD2 LYS 44 - H LYS 20 lone 2 84 - 2 - HD3 LYS 44 - H LYS 20 lone 2 77 - 2 - HG12 ILE 71 - H LYS 20 lone 2 98 - 2 - HB ILE 54 - H LYS 20 lone 2 98 - 2 - HG LEU 74 - H LYS 20 lone 1 73 - 2 - HG3 LYS 123 - H LYS 20 lone 1 90 - 1 - Peak 1149 from nnoeabs.peaks (7.67, 7.67, 118.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 21 + H GLU 21 OK 100 100 - 100 Peak 1150 from nnoeabs.peaks (3.96, 7.67, 118.49 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 21 + H GLU 21 OK 100 100 - 100 - 2.9=100 Peak 1151 from nnoeabs.peaks (2.12, 7.67, 118.49 ppm; 3.11 A): 3 out of 14 assignments used, quality = 0.96: * HB2 GLU 21 + H GLU 21 OK 75 100 - 75 - 4.1=45, 1.8/1152=21...(11) HG2 GLU 21 + H GLU 21 OK 60 92 - 65 - 5.0=24, 3.0/3128=18...(11) HG3 GLU 21 + H GLU 21 OK 57 87 - 65 - 5.0=24, 3.0/3128=18...(11) HB2 LEU 38 - H GLU 21 lone 2 100 - 2 - HB VAL 107 - H GLU 21 lone 2 100 - 2 - HG3 GLN 83 - H GLU 21 lone 1 100 - 1 - HB2 GLU 111 - H GLU 21 lone 1 70 - 1 - HB3 GLU 119 - H GLU 21 lone 1 100 - 1 - HB2 GLU 119 - H GLU 21 lone 1 100 - 1 - HG2 GLU 41 - H GLU 21 lone 1 70 - 1 - HB3 GLU 92 - H GLU 21 lone 0 94 - 0 - HB3 GLU 47 - H GLU 21 lone 0 98 - 0 - HB2 GLU 91 - H GLU 21 lone 0 94 - 0 - HG2 GLU 52 - H GLU 21 lone 0 73 - 1 - Peak 1152 from nnoeabs.peaks (1.97, 7.67, 118.49 ppm; 3.54 A): 2 out of 7 assignments used, quality = 0.90: * HB3 GLU 21 + H GLU 21 OK 87 100 - 87 - 4.1=66, 1.8/3128=31...(10) HB VAL 22 + H GLU 21 OK 24 90 - 27 - 2.1/11314=11...(4) HB3 ARG 95 - H GLU 21 lone 2 100 - 2 - HB3 LYS 96 - H GLU 21 lone 1 100 - 1 - HB2 LYS 40 - H GLU 21 lone 0 70 - 1 - HB3 GLU 103 - H GLU 21 lone 0 81 - 0 - HB3 GLU 128 - H GLU 21 lone 0 61 - 1 - Peak 1153 from nnoeabs.peaks (2.11, 7.67, 118.49 ppm; 3.10 A): 3 out of 17 assignments used, quality = 0.96: HB2 GLU 21 + H GLU 21 OK 68 92 - 74 - 4.1=45, 1.8/1152=21...(11) HG3 GLU 21 + H GLU 21 OK 66 100 - 66 - 5.0=23, 3.0/3128=18...(12) * HG2 GLU 21 + H GLU 21 OK 66 100 - 66 - 5.0=23, 3.0/3128=18...(12) HB VAL 107 - H GLU 21 lone 2 92 - 2 - HB2 LEU 38 - H GLU 21 lone 2 96 - 2 - HB2 GLU 111 - H GLU 21 lone 1 97 - 1 - HG3 GLN 83 - H GLU 21 lone 1 90 - 1 - HB3 GLU 66 - H GLU 21 lone 1 84 - 1 - HB3 GLU 119 - H GLU 21 lone 1 96 - 1 - HG2 GLU 52 - H GLU 21 lone 1 98 - 1 - HB2 GLU 119 - H GLU 21 lone 1 90 - 1 - HB3 GLU 92 - H GLU 21 lone 0 100 - 0 - HB3 GLU 47 - H GLU 21 lone 0 99 - 0 - HB2 GLU 87 - H GLU 21 lone 0 87 - 0 - HB3 GLU 69 - H GLU 21 lone 0 70 - 1 - HB2 GLU 103 - H GLU 21 lone 0 61 - 0 - HB2 GLU 91 - H GLU 21 lone 0 61 - 0 - Peak 1154 from nnoeabs.peaks (2.10, 7.67, 118.49 ppm; 3.10 A): 3 out of 16 assignments used, quality = 0.96: * HG3 GLU 21 + H GLU 21 OK 66 100 - 66 - 5.0=23, 3.0/3128=18...(12) HG2 GLU 21 + H GLU 21 OK 66 100 - 66 - 5.0=23, 3.0/3128=18...(12) HB2 GLU 21 + H GLU 21 OK 64 87 - 74 - 4.1=45, 1.8/1152=21...(11) HB VAL 107 - H GLU 21 lone 2 87 - 2 - HB2 LEU 38 - H GLU 21 lone 2 92 - 2 - HB2 GLU 111 - H GLU 21 lone 1 99 - 1 - HG3 GLN 83 - H GLU 21 lone 1 84 - 1 - HB3 GLU 66 - H GLU 21 lone 1 90 - 1 - HG2 GLU 52 - H GLU 21 lone 1 99 - 1 - HB3 GLU 119 - H GLU 21 lone 1 92 - 1 - HB3 GLU 92 - H GLU 21 lone 0 100 - 0 - HB3 GLU 69 - H GLU 21 lone 0 77 - 1 - HB2 GLU 119 - H GLU 21 lone 0 84 - 1 - HB2 GLU 87 - H GLU 21 lone 0 92 - 0 - HB3 GLU 47 - H GLU 21 lone 0 98 - 0 - HB2 GLU 103 - H GLU 21 lone 0 70 - 0 - Peak 1167 from nnoeabs.peaks (8.02, 8.02, 106.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 26 + H GLY 26 OK 100 100 - 100 Peak 1168 from nnoeabs.peaks (3.81, 8.02, 106.37 ppm; 4.81 A): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 26 + H GLY 26 OK 100 100 - 100 - 3.0=100 Peak 1169 from nnoeabs.peaks (4.13, 8.02, 106.37 ppm; 5.04 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 26 + H GLY 26 OK 100 100 - 100 - 3.0=100 Peak 1170 from nnoeabs.peaks (7.84, 7.84, 119.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H TYR 27 + H TYR 27 OK 100 100 - 100 Peak 1171 from nnoeabs.peaks (4.43, 7.84, 119.08 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 27 + H TYR 27 OK 100 100 - 100 - 3.0=100 Peak 1172 from nnoeabs.peaks (2.66, 7.84, 119.08 ppm; 4.95 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 27 + H TYR 27 OK 100 100 - 100 - 3.9=100 Peak 1173 from nnoeabs.peaks (2.37, 7.84, 119.08 ppm; 5.75 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 27 + H TYR 27 OK 100 100 - 100 - 3.9=100 Peak 1177 from nnoeabs.peaks (6.79, 7.84, 119.08 ppm; 4.70 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 27 + H TYR 27 OK 100 100 - 100 - 4.4=100 Peak 1178 from nnoeabs.peaks (8.34, 8.34, 120.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 28 + H GLN 28 OK 100 100 - 100 Peak 1179 from nnoeabs.peaks (4.50, 8.34, 120.36 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 28 + H GLN 28 OK 100 100 - 100 - 3.0=100 Peak 1180 from nnoeabs.peaks (2.06, 8.34, 120.36 ppm; 3.92 A): 1 out of 14 assignments used, quality = 0.97: * HB2 GLN 28 + H GLN 28 OK 97 100 - 97 - 4.0=90, 1.8/1181=32...(5) HB3 PHE 79 - H GLN 28 lone 5 84 - 6 - 9896/9232=2, 11693/4.5=2 HB VAL 117 - H GLN 28 lone 3 77 - 4 - 2.1/9235=2 HB2 GLU 13 - H GLN 28 lone 2 100 - 2 - HB3 MET 67 - H GLN 28 lone 2 84 - 2 - HB3 GLU 98 - H GLN 28 lone 2 94 - 2 - HB3 GLN 100 - H GLN 28 lone 2 81 - 2 - HB2 LYS 94 - H GLN 28 lone 1 96 - 1 - HB3 GLU 91 - H GLN 28 lone 1 97 - 1 - HB2 GLU 92 - H GLN 28 lone 1 94 - 1 - HB3 MET 121 - H GLN 28 lone 1 77 - 1 - HB2 GLU 47 - H GLN 28 lone 1 98 - 1 - HG3 GLU 52 - H GLN 28 lone 1 65 - 1 - HG2 GLU 119 - H GLN 28 lone 1 81 - 1 - Peak 1181 from nnoeabs.peaks (1.78, 8.34, 120.36 ppm; 3.66 A): 2 out of 7 assignments used, quality = 0.92: * HB3 GLN 28 + H GLN 28 OK 91 100 - 91 - 4.0=74, 1.8/1180=27...(9) HB VAL 32 + H GLN 28 OK 11 97 - 12 - ~9240=5, 2.1/9235=4, 2.1/9236=2 HB2 LYS 19 - H GLN 28 lone 8 99 - 8 - 160/4.6=4, 3.0/9234=2 HB2 LEU 90 - H GLN 28 lone 3 97 - 3 - HB2 LEU 64 - H GLN 28 lone 1 98 - 1 - HG12 ILE 18 - H GLN 28 lone 1 65 - 2 - HB2 ARG 118 - H GLN 28 lone 0 73 - 1 - Peak 1182 from nnoeabs.peaks (2.24, 8.34, 120.36 ppm; 3.83 A): 1 out of 4 assignments used, quality = 0.80: * HG2 GLN 28 + H GLN 28 OK 80 100 - 80 - 5.2=39, 1.8/1183=31...(6) HB2 GLN 122 - H GLN 28 lone 1 100 - 1 - HB3 GLN 122 - H GLN 28 lone 1 100 - 1 - HG2 GLU 103 - H GLN 28 lone 0 70 - 1 - Peak 1183 from nnoeabs.peaks (2.20, 8.34, 120.36 ppm; 3.90 A): 1 out of 9 assignments used, quality = 0.81: * HG3 GLN 28 + H GLN 28 OK 81 100 - 81 - 5.2=42, 1.8/1182=37...(5) HB2 MET 42 - H GLN 28 lone 5 90 - 5 - 162/4.6=3, 3.0/151=1 HB2 MET 67 - H GLN 28 lone 2 100 - 2 - HB2 GLN 100 - H GLN 28 lone 1 96 - 2 - HB2 GLN 83 - H GLN 28 lone 1 92 - 1 - HG3 GLU 66 - H GLN 28 lone 1 77 - 2 - HB3 MET 1 - H GLN 28 lone 1 99 - 1 - HB2 GLU 69 - H GLN 28 lone 1 100 - 1 - HG2 GLU 48 - H GLN 28 lone 1 100 - 1 - Peak 1186 from nnoeabs.peaks (8.78, 8.78, 123.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 29 + H VAL 29 OK 100 100 - 100 Peak 1187 from nnoeabs.peaks (5.04, 8.78, 123.48 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 29 + H VAL 29 OK 100 100 - 100 - 3.0=100 Peak 1188 from nnoeabs.peaks (1.95, 8.78, 123.48 ppm; 3.20 A): 2 out of 16 assignments used, quality = 0.78: * HB VAL 29 + H VAL 29 OK 75 100 - 75 - 3.8=58, 2.1/1189=24, 2.1/1190=21 HB3 MET 42 + H VAL 29 OK 12 100 - 12 - 1.8/162=3, 3.0/3789=3...(5) HB3 LYS 40 - H VAL 29 lone 3 96 - 3 - 3329=1 HB3 LYS 39 - H VAL 29 lone 2 99 - 2 - 3.0/8056=2 HB2 GLU 41 - H VAL 29 lone 2 100 - 2 - HB3 GLU 41 - H VAL 29 lone 2 99 - 2 - HB VAL 104 - H VAL 29 lone 2 97 - 2 - 2.1/1189=1 HB2 LEU 70 - H VAL 29 lone 1 90 - 2 - HB2 LYS 39 - H VAL 29 lone 1 61 - 2 - 3.0/8056=2 HB3 GLU 52 - H VAL 29 lone 0 100 - 0 - HB3 GLU 128 - H VAL 29 lone 0 100 - 0 - HB2 LYS 123 - H VAL 29 lone 0 61 - 0 - HB3 LYS 115 - H VAL 29 lone 0 61 - 0 - HB3 ARG 95 - H VAL 29 lone 0 70 - 0 - HB2 LYS 65 - H VAL 29 lone 0 61 - 0 - HB3 LYS 96 - H VAL 29 lone 0 65 - 0 - Peak 1189 from nnoeabs.peaks (0.90, 8.78, 123.48 ppm; 3.25 A): 1 out of 8 assignments used, quality = 0.76: * QG2 VAL 29 + H VAL 29 OK 76 100 - 76 - 4.0=53, 2.1/1188=24...(6) QD2 LEU 38 - H VAL 29 lone 6 97 - 6 - 2.1/10999=2 QG2 VAL 104 - H VAL 29 lone 4 87 - 5 - 10243/3.6=2, 3334=1 HG13 ILE 54 - H VAL 29 lone 3 77 - 5 - 2.1/2437=1, ~9489=1 QD1 LEU 70 - H VAL 29 lone 3 92 - 4 - 11368/3789=1 QD2 LEU 70 - H VAL 29 lone 2 97 - 2 - QD1 LEU 90 - H VAL 29 lone 2 97 - 2 - QD2 LEU 90 - H VAL 29 lone 2 81 - 2 - Peak 1190 from nnoeabs.peaks (0.80, 8.78, 123.48 ppm; 3.91 A): 1 out of 8 assignments used, quality = 0.98: * QG1 VAL 29 + H VAL 29 OK 98 100 - 98 - 4.0=93, 2.1/1189=33...(6) QD1 LEU 114 - H VAL 29 lone 4 99 - 4 - 2.1/10434=2, 9239/3.6=1 QD1 LEU 81 - H VAL 29 lone 2 90 - 2 - QD2 LEU 64 - H VAL 29 lone 1 70 - 2 - QD1 LEU 64 - H VAL 29 lone 1 81 - 2 - QG2 ILE 71 - H VAL 29 lone 1 70 - 2 - QD1 LEU 74 - H VAL 29 lone 1 70 - 1 - QD2 LEU 74 - H VAL 29 lone 1 61 - 1 - Peak 1191 from nnoeabs.peaks (9.13, 9.13, 127.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 30 + H ARG 30 OK 100 100 - 100 Peak 1192 from nnoeabs.peaks (4.74, 9.13, 127.79 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 30 + H ARG 30 OK 100 100 - 100 - 2.9=100 Peak 1193 from nnoeabs.peaks (1.65, 9.13, 127.79 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 30 + H ARG 30 OK 100 100 - 100 - 4.0=100 Peak 1194 from nnoeabs.peaks (1.51, 9.13, 127.79 ppm; 3.79 A): 2 out of 11 assignments used, quality = 0.93: * HB3 ARG 30 + H ARG 30 OK 87 100 - 87 - 4.0=82, 2.8/1196=15...(7) HG2 ARG 30 + H ARG 30 OK 43 70 - 62 - 4.9=46, 1.8/1196=18...(5) HG LEU 6 - H ARG 30 lone 6 98 - 6 - 11537/4.0=2 HB2 LEU 6 - H ARG 30 lone 3 98 - 3 - HG LEU 38 - H ARG 30 lone 3 97 - 3 - 2.1/168=1 HD3 LYS 17 - H ARG 30 lone 2 100 - 2 - HG2 LYS 20 - H ARG 30 lone 1 96 - 1 - HB2 LYS 61 - H ARG 30 lone 1 100 - 1 - HG2 LYS 43 - H ARG 30 lone 1 100 - 1 - QB ALA 124 - H ARG 30 lone 1 92 - 1 - HB3 LEU 14 - H ARG 30 lone 0 73 - 1 - Peak 1195 from nnoeabs.peaks (1.50, 9.13, 127.79 ppm; 3.75 A): 2 out of 13 assignments used, quality = 0.85: * HG2 ARG 30 + H ARG 30 OK 63 100 - 63 - 4.9=44, 1.8/1196=18...(5) HB3 ARG 30 + H ARG 30 OK 59 70 - 85 - 4.0=79, 2.8/1196=14...(6) HB2 LEU 6 - H ARG 30 lone 2 90 - 2 - HD3 LYS 17 - H ARG 30 lone 1 57 - 1 - HG3 ARG 118 - H ARG 30 lone 1 81 - 1 - HB3 LEU 14 - H ARG 30 lone 1 100 - 1 - HB3 LEU 45 - H ARG 30 lone 1 90 - 1 - QB ALA 124 - H ARG 30 lone 0 97 - 1 - HG2 LYS 20 - H ARG 30 lone 0 94 - 1 - HG2 LYS 43 - H ARG 30 lone 0 73 - 0 - HD2 LYS 53 - H ARG 30 lone 0 70 - 0 - HB2 LYS 61 - H ARG 30 lone 0 57 - 1 - HG3 LYS 73 - H ARG 30 lone 0 61 - 0 - Peak 1196 from nnoeabs.peaks (1.45, 9.13, 127.79 ppm; 3.78 A): 3 out of 16 assignments used, quality = 0.83: * HG3 ARG 30 + H ARG 30 OK 72 100 - 72 - 4.9=45, 1.8/1195=18...(7) HG12 ILE 57 + H ARG 30 OK 33 96 - 34 - 4.6/11361=12...(5) HG LEU 4 + H ARG 30 OK 13 100 - 13 - ~11554=6, 2.1/9254=6 HB2 LEU 4 - H ARG 30 lone 7 77 - 10 - ~11554=5, 3.1/9254=5 HB3 LEU 4 - H ARG 30 lone 7 77 - 10 - ~11554=5, 3.1/9254=5 HB3 LEU 6 - H ARG 30 lone 3 98 - 3 - 3.0/1194=1 HB3 LEU 38 - H ARG 30 lone 2 94 - 2 - HG LEU 80 - H ARG 30 lone 2 90 - 2 - HG12 ILE 7 - H ARG 30 lone 2 97 - 2 - HG2 LYS 39 - H ARG 30 lone 2 99 - 2 - HG2 LYS 106 - H ARG 30 lone 1 96 - 1 - HG2 LYS 49 - H ARG 30 lone 1 98 - 1 - HG3 LYS 49 - H ARG 30 lone 1 98 - 1 - HB2 LEU 74 - H ARG 30 lone 1 81 - 1 - HG2 LYS 96 - H ARG 30 lone 0 87 - 1 - HG3 LYS 44 - H ARG 30 lone 0 81 - 1 - Peak 1199 from nnoeabs.peaks (8.38, 8.38, 121.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 31 + H ASP 31 OK 100 100 - 100 Peak 1200 from nnoeabs.peaks (5.21, 8.38, 121.89 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 31 + H ASP 31 OK 100 100 - 100 - 3.0=100 Peak 1201 from nnoeabs.peaks (2.47, 8.38, 121.89 ppm; 3.13 A): 2 out of 5 assignments used, quality = 0.80: * HB2 ASP 31 + H ASP 31 OK 55 100 - 55 - 4.1=46, 1.8/3408=12, 181/4.6=6 HB3 ASP 31 + H ASP 31 OK 55 100 - 55 - 4.1=46, 1.8/3404=12, 181/4.6=6 HG3 GLU 41 - H ASP 31 lone 1 96 - 1 - HB2 TYR 102 - H ASP 31 lone 1 99 - 1 - HG3 GLU 119 - H ASP 31 lone 0 96 - 0 - Peak 1202 from nnoeabs.peaks (2.47, 8.38, 121.89 ppm; 3.13 A): 2 out of 5 assignments used, quality = 0.80: * HB3 ASP 31 + H ASP 31 OK 55 100 - 55 - 4.1=46, 1.8/3404=12, 181/4.6=6 HB2 ASP 31 + H ASP 31 OK 55 100 - 55 - 4.1=46, 1.8/3408=12, 181/4.6=6 HG3 GLU 41 - H ASP 31 lone 1 94 - 1 - HB2 TYR 102 - H ASP 31 lone 1 99 - 1 - HG3 GLU 119 - H ASP 31 lone 0 94 - 0 - Peak 1203 from nnoeabs.peaks (8.44, 8.44, 120.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 32 + H VAL 32 OK 100 100 - 100 Peak 1204 from nnoeabs.peaks (4.25, 8.44, 120.43 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 32 + H VAL 32 OK 100 100 - 100 - 3.0=100 Peak 1205 from nnoeabs.peaks (1.78, 8.44, 120.43 ppm; 3.41 A): 2 out of 7 assignments used, quality = 0.84: * HB VAL 32 + H VAL 32 OK 81 100 - 81 - 3.9=64, 2.1/1207=22...(6) HB2 LYS 19 + H VAL 32 OK 14 87 - 16 - 1.8/10790=12...(3) HB3 GLN 28 - H VAL 32 lone 3 97 - 3 - 11484/4.0=3 HB2 LEU 64 - H VAL 32 lone 3 84 - 4 - 3.6/2082=3 HG12 ILE 18 - H VAL 32 lone 2 90 - 2 - 3.2/10677=1 HB2 LEU 90 - H VAL 32 lone 1 100 - 1 - HB2 LEU 55 - H VAL 32 lone 1 77 - 1 - Peak 1206 from nnoeabs.peaks (0.87, 8.44, 120.43 ppm; 3.88 A): 1 out of 9 assignments used, quality = 0.98: * QG1 VAL 32 + H VAL 32 OK 98 100 - 98 - 4.0=94, 2.1/1205=31...(5) HG13 ILE 57 - H VAL 32 OK 41 96 - 42 - 2.1/10677=16...(7) QG2 VAL 107 - H VAL 32 lone 7 100 - 7 - 11460/3.9=1, 4.0/11348=1...(4) QG2 THR 9 - H VAL 32 lone 5 99 - 5 - QG2 VAL 117 - H VAL 32 lone 4 100 - 4 - QD1 LEU 14 - H VAL 32 lone 3 96 - 3 - 185/4.7=1 QG2 VAL 22 - H VAL 32 lone 1 84 - 2 - QD2 LEU 90 - H VAL 32 lone 1 77 - 1 - QG2 VAL 104 - H VAL 32 lone 1 70 - 1 - Peak 1207 from nnoeabs.peaks (0.76, 8.44, 120.43 ppm; 3.36 A): 2 out of 11 assignments used, quality = 0.83: * QG2 VAL 32 + H VAL 32 OK 79 100 - 79 - 4.0=61, 2.1/1205=25...(5) QD1 ILE 7 + H VAL 32 OK 20 99 - 20 - 11584/4.0=8, 9075/3.9=7...(5) QG2 ILE 7 - H VAL 32 lone 5 61 - 9 - 11076/3.9=3, 11583/4.0=3 QG1 VAL 107 - H VAL 32 lone 3 100 - 3 - 2.1/1206=1 QG2 ILE 54 - H VAL 32 lone 2 70 - 3 - 9273/4.6=2 QD2 LEU 14 - H VAL 32 lone 2 100 - 2 - QD1 ILE 15 - H VAL 32 lone 2 100 - 2 - QD1 LEU 82 - H VAL 32 lone 1 77 - 2 - QD1 LEU 45 - H VAL 32 lone 1 94 - 1 - QD1 LEU 80 - H VAL 32 lone 1 87 - 1 - QD2 LEU 80 - H VAL 32 lone 1 84 - 1 - Peak 1208 from nnoeabs.peaks (9.55, 9.55, 122.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 33 + H ASN 33 OK 100 100 - 100 Peak 1209 from nnoeabs.peaks (4.98, 9.55, 122.70 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 33 + H ASN 33 OK 100 100 - 100 - 2.9=100 Peak 1210 from nnoeabs.peaks (2.91, 9.55, 122.70 ppm; 3.78 A): 1 out of 14 assignments used, quality = 0.96: * HB2 ASN 33 + H ASN 33 OK 96 100 - 96 - 4.0=84, 1.8/1211=36...(9) HB2 ASP 34 - H ASN 33 OK 29 100 - 29 - 4.0/187=26, 9295/3.6=3 HB3 ASN 88 - H ASN 33 lone 2 99 - 2 - HE3 LYS 16 - H ASN 33 lone 1 100 - 1 - HE2 LYS 16 - H ASN 33 lone 1 100 - 1 - HE2 LYS 115 - H ASN 33 lone 1 100 - 1 - HE3 LYS 115 - H ASN 33 lone 1 100 - 1 - HB2 ASN 8 - H ASN 33 lone 1 61 - 2 - 1.8/9306=1 HB2 ASN 10 - H ASN 33 lone 1 99 - 1 - HE2 LYS 65 - H ASN 33 lone 1 98 - 1 - HE3 LYS 65 - H ASN 33 lone 1 98 - 1 - HE3 LYS 17 - H ASN 33 lone 1 92 - 1 - HE3 LYS 94 - H ASN 33 lone 1 97 - 1 - HB2 ASP 86 - H ASN 33 lone 1 70 - 1 - Peak 1211 from nnoeabs.peaks (2.69, 9.55, 122.70 ppm; 3.43 A): 1 out of 8 assignments used, quality = 0.83: * HB3 ASN 33 + H ASN 33 OK 83 100 - 83 - 4.0=63, 1.8/1210=22...(5) HB3 ASP 110 - H ASN 33 lone 5 96 - 5 - 11419/4.4=1, 190/4.6=1 HE2 LYS 19 - H ASN 33 lone 2 92 - 3 - HE3 LYS 19 - H ASN 33 lone 2 92 - 3 - HB2 ASN 50 - H ASN 33 lone 1 70 - 1 - HB3 ASN 50 - H ASN 33 lone 1 65 - 1 - HE2 LYS 61 - H ASN 33 lone 0 100 - 0 - HE3 LYS 61 - H ASN 33 lone 0 77 - 0 - Peak 1212 from nnoeabs.peaks (7.94, 9.55, 122.70 ppm; 4.44 A): 1 out of 6 assignments used, quality = 0.85: * HD21 ASN 33 + H ASN 33 OK 85 100 - 85 - 5.4=56, 1.7/876=34...(6) H GLU 91 - H ASN 33 lone 4 100 - 4 - H GLY 101 - H ASN 33 lone 2 97 - 2 - H GLY 75 - H ASN 33 lone 2 84 - 2 - H GLU 119 - H ASN 33 lone 1 57 - 1 - H GLY 125 - H ASN 33 lone 1 90 - 1 - Peak 1213 from nnoeabs.peaks (7.02, 9.55, 122.70 ppm; 5.20 A): 1 out of 4 assignments used, quality = 0.98: * HD22 ASN 33 + H ASN 33 OK 98 100 - 98 - 5.4=89, 1.7/870=44...(6) HD22 ASN 88 - H ASN 33 lone 2 96 - 2 - HZ PHE 120 - H ASN 33 lone 1 100 - 1 - HE22 GLN 28 - H ASN 33 lone 1 97 - 1 - Peak 1214 from nnoeabs.peaks (7.62, 7.62, 114.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 34 + H ASP 34 OK 100 100 - 100 Peak 1215 from nnoeabs.peaks (4.70, 7.62, 114.89 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 34 + H ASP 34 OK 100 100 - 100 - 3.0=100 Peak 1216 from nnoeabs.peaks (2.91, 7.62, 114.89 ppm; 3.73 A): 2 out of 14 assignments used, quality = 0.97: * HB2 ASP 34 + H ASP 34 OK 84 100 - 84 - 4.0=79, 7453/4.5=16...(6) HB2 ASN 33 + H ASP 34 OK 78 100 - 78 - 4.6=53, 1.8/190=29...(7) HB3 ASN 88 - H ASP 34 lone 4 99 - 4 - 4.2/9325=2 HE3 LYS 16 - H ASP 34 lone 3 100 - 3 - HE2 LYS 16 - H ASP 34 lone 3 100 - 3 - HE3 LYS 115 - H ASP 34 lone 2 100 - 2 - HE2 LYS 115 - H ASP 34 lone 2 100 - 2 - HE3 LYS 65 - H ASP 34 lone 2 97 - 2 - HE2 LYS 65 - H ASP 34 lone 2 97 - 2 - HB2 ASN 8 - H ASP 34 lone 1 65 - 2 - HB2 ASN 10 - H ASP 34 lone 1 100 - 1 - HE3 LYS 17 - H ASP 34 lone 1 94 - 1 - HB2 ASP 86 - H ASP 34 lone 1 65 - 1 - HE3 LYS 94 - H ASP 34 lone 1 96 - 1 - Peak 1217 from nnoeabs.peaks (3.09, 7.62, 114.89 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 34 + H ASP 34 OK 100 100 - 100 - 4.0=100 Peak 1218 from nnoeabs.peaks (8.87, 8.87, 114.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 35 + H SER 35 OK 100 100 - 100 Peak 1219 from nnoeabs.peaks (4.05, 8.87, 114.38 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 35 + H SER 35 OK 100 100 - 100 - 2.9=100 Peak 1220 from nnoeabs.peaks (3.92, 8.87, 114.38 ppm; 3.26 A): 2 out of 6 assignments used, quality = 0.82: * HB2 SER 35 + H SER 35 OK 76 100 - 76 - 4.0=54, 1.8/1221=31...(4) HA LEU 38 + H SER 35 OK 27 96 - 28 - ~8029=6, ~8028=6...(7) HA LEU 64 - H SER 35 lone 2 87 - 2 - HA ILE 97 - H SER 35 lone 1 61 - 2 - ~8033=1 HA GLU 128 - H SER 35 lone 1 90 - 1 - HA MET 121 - H SER 35 lone 0 87 - 0 - Peak 1221 from nnoeabs.peaks (3.95, 8.87, 114.38 ppm; 3.33 A): 1 out of 5 assignments used, quality = 0.79: * HB3 SER 35 + H SER 35 OK 79 100 - 79 - 4.0=57, 1.8/1220=26...(4) HA MET 67 - H SER 35 lone 4 100 - 4 - 2.9/1880=2, 200/4.6=1 HA ILE 97 - H SER 35 lone 4 90 - 5 - ~8033=1, 3470=1, 200/4.6=1 HA GLU 21 - H SER 35 lone 0 81 - 0 - HA MET 121 - H SER 35 lone 0 65 - 0 - Peak 1222 from nnoeabs.peaks (8.39, 8.39, 124.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 36 + H ASP 36 OK 100 100 - 100 Peak 1223 from nnoeabs.peaks (4.52, 8.39, 124.69 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 36 + H ASP 36 OK 100 100 - 100 - 3.0=100 Peak 1224 from nnoeabs.peaks (2.84, 8.39, 124.69 ppm; 3.17 A): 1 out of 5 assignments used, quality = 0.70: * HB2 ASP 36 + H ASP 36 OK 70 100 - 70 - 4.0=49, 1.8/1225=28...(4) HB3 TYR 76 - H ASP 36 lone 2 98 - 2 - HB2 ASN 88 - H ASP 36 lone 1 96 - 1 - HE2 LYS 17 - H ASP 36 lone 0 98 - 0 - HE2 LYS 77 - H ASP 36 lone 0 70 - 0 - Peak 1225 from nnoeabs.peaks (2.66, 8.39, 124.69 ppm; 3.40 A): 1 out of 7 assignments used, quality = 0.80: * HB3 ASP 36 + H ASP 36 OK 80 100 - 80 - 4.0=61, 1.8/1224=37, 4.3/1881=19 HB3 ASP 84 - H ASP 36 lone 3 100 - 3 - 4.1/2025=2 HB2 TYR 76 - H ASP 36 lone 2 100 - 2 - HG2 MET 42 - H ASP 36 lone 2 98 - 2 - HB3 ASP 110 - H ASP 36 lone 1 61 - 2 - 4.4/2025=1 HB2 TYR 27 - H ASP 36 lone 1 100 - 1 - HE3 LYS 61 - H ASP 36 lone 0 87 - 0 - Peak 1226 from nnoeabs.peaks (9.01, 9.01, 122.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 37 + H GLU 37 OK 100 100 - 100 Peak 1227 from nnoeabs.peaks (4.06, 9.01, 122.45 ppm; 3.46 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 37 + H GLU 37 OK 100 100 - 100 - 2.9=100 Peak 1228 from nnoeabs.peaks (2.27, 9.01, 122.45 ppm; 3.70 A): 1 out of 9 assignments used, quality = 0.98: * HB2 GLU 37 + H GLU 37 OK 98 100 - 98 - 3.8=89, 1.8/1229=32...(11) HG2 GLU 69 - H GLU 37 OK 14 99 - 14 - 1.8/1230=3, ~5022=2...(5) HG3 GLU 111 - H GLU 37 lone 5 100 - 5 - 5.2/1882=2 HG2 GLU 111 - H GLU 37 lone 3 65 - 4 - 5.2/1882=2 HG2 GLU 89 - H GLU 37 lone 3 98 - 3 - HG3 GLU 92 - H GLU 37 lone 2 99 - 2 - HB3 ASN 8 - H GLU 37 lone 1 99 - 1 - HG3 GLU 91 - H GLU 37 lone 1 65 - 1 - HG2 GLU 103 - H GLU 37 lone 1 84 - 1 - Peak 1229 from nnoeabs.peaks (2.17, 9.01, 122.45 ppm; 3.38 A): 2 out of 8 assignments used, quality = 0.92: * HB3 GLU 37 + H GLU 37 OK 91 100 - 91 - 3.8=68, 3.0/1231=25...(12) HB2 GLU 98 + H GLU 37 OK 11 99 - 11 - 3.0/3504=4, 208/4.6=1 HG3 GLU 66 - H GLU 37 lone 6 87 - 6 - 208/4.6=2, 5.0/201=1 HB2 GLN 85 - H GLU 37 lone 3 100 - 3 - HB2 MET 42 - H GLU 37 lone 2 73 - 3 - 208/4.6=1 HB2 GLN 62 - H GLU 37 lone 2 96 - 2 - HB3 GLN 62 - H GLU 37 lone 2 96 - 2 - HB3 GLU 13 - H GLU 37 lone 1 77 - 1 - Peak 1230 from nnoeabs.peaks (2.44, 9.01, 122.45 ppm; 3.75 A): 3 out of 7 assignments used, quality = 0.92: * HG2 GLU 37 + H GLU 37 OK 88 100 - 88 - 4.9=44, 1.8/1231=40...(9) HG3 GLU 98 + H GLU 37 OK 22 99 - 22 - 3504=8, 3505/2.9=4...(7) HG3 GLU 69 + H GLU 37 OK 13 99 - 13 - 1.8/1228=4, 5022/2.9=3...(4) HG3 GLU 41 - H GLU 37 lone 4 70 - 5 - 209/4.6=2 HG2 GLN 100 - H GLU 37 lone 3 100 - 3 - HG2 MET 1 - H GLU 37 lone 1 84 - 2 - HG3 GLU 119 - H GLU 37 lone 1 70 - 1 - Peak 1231 from nnoeabs.peaks (2.73, 9.01, 122.45 ppm; 3.35 A): 1 out of 5 assignments used, quality = 0.81: * HG3 GLU 37 + H GLU 37 OK 81 100 - 81 - 3510=38, 1.8/3504=21...(11) HB2 ASP 60 - H GLU 37 lone 2 97 - 2 - 210/4.6=1 HB3 ASP 109 - H GLU 37 lone 1 100 - 1 - HE3 LYS 53 - H GLU 37 lone 1 90 - 1 - HB3 ASN 11 - H GLU 37 lone 0 73 - 1 - Peak 1232 from nnoeabs.peaks (8.20, 8.20, 119.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 38 + H LEU 38 OK 100 100 - 100 Peak 1233 from nnoeabs.peaks (3.91, 8.20, 119.58 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 38 + H LEU 38 OK 100 100 - 100 - 3.0=100 Peak 1234 from nnoeabs.peaks (2.11, 8.20, 119.58 ppm; 3.36 A): 2 out of 14 assignments used, quality = 0.90: * HB2 LEU 38 + H LEU 38 OK 89 100 - 89 - 3.8=67, 1.8/1235=21...(15) HG2 GLU 41 + H LEU 38 OK 10 61 - 17 - ~9404=3, 9300/9282=3...(8) HG3 GLN 83 - H LEU 38 lone 8 100 - 8 - 1.8/7731=2, 7732=1 HB VAL 107 - H LEU 38 lone 6 100 - 6 - 2.1/11505=3 HB2 GLU 111 - H LEU 38 lone 3 77 - 4 - 6597=1, 3.0/207=1 HB3 GLU 47 - H LEU 38 lone 3 99 - 3 - 8093/3.6=3 HB3 GLU 92 - H LEU 38 lone 2 97 - 2 - HB2 GLU 91 - H LEU 38 lone 2 90 - 2 - HB2 GLU 119 - H LEU 38 lone 1 100 - 1 - HB3 GLU 119 - H LEU 38 lone 1 100 - 1 - HB2 GLU 21 - H LEU 38 lone 1 100 - 1 - HG2 GLU 21 - H LEU 38 lone 0 96 - 0 - HG3 GLU 21 - H LEU 38 lone 0 92 - 0 - HG2 GLU 52 - H LEU 38 lone 0 81 - 0 - Peak 1235 from nnoeabs.peaks (1.46, 8.20, 119.58 ppm; 3.39 A): 3 out of 14 assignments used, quality = 0.94: * HB3 LEU 38 + H LEU 38 OK 90 100 - 90 - 3.8=69, 1.8/1234=25...(15) HG2 LYS 39 + H LEU 38 OK 24 99 - 24 - 4.9/1883=9, 11038/4.4=6...(8) HB3 LEU 6 + H LEU 38 OK 16 100 - 16 - 3.1/10986=4, 3.0/1236=4...(5) HG12 ILE 7 - H LEU 38 lone 8 100 - 8 - 10930/9282=2, 3.2/10986=2 HG12 ILE 57 - H LEU 38 lone 4 100 - 4 - 1.8/11505=1 HG2 LYS 106 - H LEU 38 lone 3 100 - 3 - HG3 ARG 30 - H LEU 38 lone 2 94 - 2 - HG3 LYS 20 - H LEU 38 lone 1 77 - 2 - HB2 LEU 74 - H LEU 38 lone 1 99 - 1 - HG LEU 4 - H LEU 38 lone 1 92 - 1 - HG3 LYS 49 - H LEU 38 lone 1 100 - 1 - HG2 LYS 49 - H LEU 38 lone 1 100 - 1 - HG3 LYS 73 - H LEU 38 lone 1 70 - 1 - HD2 LYS 53 - H LEU 38 lone 0 61 - 1 - Peak 1236 from nnoeabs.peaks (1.52, 8.20, 119.58 ppm; 3.83 A): 3 out of 11 assignments used, quality = 0.92: * HG LEU 38 + H LEU 38 OK 88 100 - 88 - 5.1=42, 2.1/1237=26...(10) HG LEU 6 + H LEU 38 OK 22 100 - 22 - 2.1/10986=7, 3520/3.0=4...(8) HB2 LEU 6 + H LEU 38 OK 15 84 - 18 - 3.1/10986=5, 1.8/1235=4...(6) HB3 ARG 30 - H LEU 38 lone 2 97 - 2 - HG2 LYS 20 - H LEU 38 lone 2 77 - 2 - HG2 LYS 43 - H LEU 38 lone 2 96 - 2 - HD2 LYS 94 - H LEU 38 lone 1 73 - 2 - HD3 LYS 94 - H LEU 38 lone 1 73 - 2 - QB ALA 124 - H LEU 38 lone 1 70 - 2 - HD3 LYS 17 - H LEU 38 lone 1 99 - 1 - HB2 LYS 61 - H LEU 38 lone 1 99 - 1 - Peak 1237 from nnoeabs.peaks (0.89, 8.20, 119.58 ppm; 3.51 A): 3 out of 7 assignments used, quality = 0.93: * QD2 LEU 38 + H LEU 38 OK 90 100 - 90 - 4.4=52, 3521/3.0=21...(17) QD2 LEU 90 + H LEU 38 OK 16 97 - 17 - 10976=5, 2.1/11577=4...(6) QD1 LEU 90 + H LEU 38 OK 13 81 - 16 - 2.1/10976=5, 11577=3...(5) QG2 VAL 104 - H LEU 38 lone 5 99 - 5 - 216/4.5=1, 3521/3.0=1 QG2 VAL 29 - H LEU 38 lone 2 97 - 2 - QD2 LEU 70 - H LEU 38 lone 2 81 - 2 - QD1 LEU 70 - H LEU 38 lone 1 70 - 2 - Peak 1238 from nnoeabs.peaks (0.96, 8.20, 119.58 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 38 + H LEU 38 OK 100 100 - 100 - 4.4=100 Peak 1239 from nnoeabs.peaks (7.83, 7.83, 118.40 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H LYS 39 + H LYS 39 OK 100 100 - 100 H ILE 97 + H ILE 97 OK 91 91 - 100 Peak 1240 from nnoeabs.peaks (3.84, 7.83, 118.40 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + H LYS 39 OK 100 100 - 100 - 3.0=100 Peak 1241 from nnoeabs.peaks (1.93, 7.83, 118.40 ppm; 3.17 A): 3 out of 40 assignments used, quality = 0.94: * HB2 LYS 39 + H LYS 39 OK 79 100 - 79 - 4.0=48, 1.8/3578=14...(18) HB3 LYS 39 + H LYS 39 OK 63 81 - 78 - 4.0=48, 1.8/3568=14...(17) HB2 LYS 39 + H ILE 97 OK 28 92 - 31 - 4.3/218=7, 3568=6...(9) HB3 LYS 39 - H ILE 97 OK 20 68 - 30 - 4.3/218=7, 3578=5...(9) HB3 MET 42 - H LYS 39 OK 19 73 - 26 - ~8057=7, ~11037=4...(9) HB3 LYS 40 - H LYS 39 OK 16 90 - 18 - 4.0/218=11, 3560/3.0=2 HB VAL 104 - H ILE 97 OK 16 75 - 21 - 2.1/1650=6, 10223/4.0=5...(6) HB3 LYS 40 - H ILE 97 OK 13 77 - 17 - 4.0/218=7, 8046/3.6=6 HB2 LEU 70 - H ILE 97 OK 10 84 - 12 - 8140/3.0=3, ~8142=2...(7) HB VAL 104 - H LYS 39 lone 6 87 - 6 - 2.1/216=2, 2.1/1650=1 HB3 LYS 115 - H ILE 97 lone 4 92 - 5 - 10115/4.0=2 HB3 GLU 41 - H LYS 39 lone 4 77 - 6 - 8052/3.6=2, 3560/3.0=1 HB2 LYS 115 - H ILE 97 lone 4 88 - 5 - 10115/4.0=2 HB2 GLU 41 - H LYS 39 lone 4 73 - 6 - 8052/3.6=2, 3560/3.0=1 HB2 LYS 123 - H LYS 39 lone 4 100 - 4 - HB2 LYS 123 - H ILE 97 lone 4 92 - 4 - HB2 LYS 65 - H LYS 39 lone 2 100 - 2 - HB3 LYS 65 - H LYS 39 lone 2 100 - 2 - HB2 LYS 65 - H ILE 97 lone 2 92 - 2 - HB3 LYS 65 - H ILE 97 lone 2 92 - 2 - HB2 LEU 127 - H ILE 97 lone 2 92 - 2 - HB3 LYS 115 - H LYS 39 lone 2 100 - 2 - HB2 LYS 115 - H LYS 39 lone 2 98 - 2 - HB3 GLU 41 - H ILE 97 lone 2 65 - 2 - HB2 GLU 41 - H ILE 97 lone 1 62 - 2 - HB VAL 29 - H LYS 39 lone 1 61 - 2 - HB2 LEU 127 - H LYS 39 lone 1 100 - 1 - HB2 LEU 70 - H LYS 39 lone 1 96 - 1 - HB2 LEU 81 - H LYS 39 lone 1 77 - 1 - HB3 LYS 17 - H ILE 97 lone 1 75 - 1 - HB3 LYS 17 - H LYS 39 lone 1 87 - 1 - HB3 MET 42 - H ILE 97 lone 1 62 - 1 - HB2 LEU 81 - H ILE 97 lone 0 65 - 1 - HB VAL 29 - H ILE 97 lone 0 51 - 1 - HG2 MET 121 - H ILE 97 lone 0 58 - 1 - HB3 GLU 52 - H LYS 39 lone 0 65 - 0 - HB3 GLU 52 - H ILE 97 lone 0 55 - 0 - HG2 MET 121 - H LYS 39 lone 0 70 - 0 - HB ILE 15 - H LYS 39 lone 0 61 - 0 - HB ILE 15 - H ILE 97 lone 0 51 - 0 - Peak 1242 from nnoeabs.peaks (1.95, 7.83, 118.40 ppm; 3.10 A): 3 out of 32 assignments used, quality = 0.93: * HB3 LYS 39 + H LYS 39 OK 76 100 - 76 - 4.0=45, 1.8/3568=13...(15) HB2 LYS 39 + H LYS 39 OK 61 81 - 76 - 4.0=45, 1.8/3578=14...(15) HB3 LYS 39 + H ILE 97 OK 28 92 - 31 - 3578=7, 4.3/218=6...(9) HB3 MET 42 - H LYS 39 OK 28 100 - 28 - ~8057=7, 8060/3.0=4...(9) HB VAL 104 - H ILE 97 OK 20 91 - 22 - 10223/4.0=6, 10224/4.7=5...(6) HB2 LYS 39 - H ILE 97 OK 19 68 - 28 - 4.3/218=6, 1.8/3578=5...(9) HB3 LYS 40 - H LYS 39 OK 18 100 - 18 - 4.0/218=11, 8050/3.6=2 HB3 LYS 40 - H ILE 97 OK 16 91 - 18 - 4.0/218=7, 8046/3.6=6 HB2 LEU 70 - H ILE 97 OK 10 88 - 12 - 8140/3.0=3, ~8142=2...(4) HB VAL 104 - H LYS 39 lone 6 100 - 6 - 2.1/216=2, 2.1/1650=1 HB3 GLU 41 - H LYS 39 lone 6 100 - 6 - 8050/3.6=3 HB2 GLU 41 - H LYS 39 lone 6 100 - 6 - 8050/3.6=3 HB3 LYS 115 - H ILE 97 lone 3 68 - 4 - 10115/4.0=1 HB2 LYS 123 - H LYS 39 lone 3 81 - 3 - HB3 GLU 41 - H ILE 97 lone 2 92 - 3 - HB2 GLU 41 - H ILE 97 lone 2 91 - 3 - HB2 LYS 123 - H ILE 97 lone 2 68 - 3 - HB3 GLU 128 - H ILE 97 lone 2 88 - 2 - 8329/3.6=1 HB VAL 29 - H LYS 39 lone 2 99 - 2 - HB2 LYS 65 - H LYS 39 lone 2 81 - 2 - HB3 LYS 65 - H LYS 39 lone 1 77 - 2 - HB2 LEU 127 - H ILE 97 lone 1 65 - 2 - HB2 LYS 65 - H ILE 97 lone 1 68 - 2 - HB3 LYS 65 - H ILE 97 lone 1 65 - 2 - HB3 LYS 115 - H LYS 39 lone 1 81 - 2 - HB3 MET 42 - H ILE 97 lone 1 91 - 1 - HB3 GLU 128 - H LYS 39 lone 1 98 - 1 - HB2 LEU 70 - H LYS 39 lone 1 98 - 1 - HB VAL 29 - H ILE 97 lone 1 89 - 1 - HB2 LEU 127 - H LYS 39 lone 1 77 - 1 - HB3 GLU 52 - H ILE 97 lone 0 90 - 1 - HB3 GLU 52 - H LYS 39 lone 0 99 - 0 - Peak 1243 from nnoeabs.peaks (1.46, 7.83, 118.40 ppm; 3.64 A): 2 out of 30 assignments used, quality = 0.98: HB3 LEU 38 + H LYS 39 OK 86 99 - 86 - 4.6=49, 1.8/213=23...(13) * HG2 LYS 39 + H LYS 39 OK 84 100 - 84 - 4.9=40, 1.8/3598=19...(20) HG2 LYS 96 - H ILE 97 OK 41 58 - 70 - 5.0=39, 2.9/7797=17...(9) HG2 LYS 39 - H ILE 97 OK 33 92 - 37 - 3588=9, 1.8/3598=8...(9) HG2 LYS 96 - H LYS 39 OK 26 70 - 38 - 2.9/7797=10, 5.1/1939=6...(10) HB3 LEU 38 - H ILE 97 OK 23 90 - 26 - 1.8/213=6, 3.8/1883=5...(6) HG3 LYS 44 - H LYS 39 OK 11 61 - 17 - 1.8/7799=2, 7798=2...(9) HG3 LYS 44 - H ILE 97 poor 9 51 - 19 - 6075/3.6=5, 1.8/7799=2...(8) HB3 LEU 6 - H LYS 39 lone 8 100 - 9 - 1235/4.5=2, 3.1/10959=2...(4) HG LEU 80 - H ILE 97 lone 5 62 - 8 - 11495/4.8=3, 11090/4.8=3 HG12 ILE 7 - H LYS 39 lone 4 100 - 4 - 10930/9279=1 HG3 LYS 20 - H LYS 39 lone 3 61 - 5 - HG2 LYS 106 - H LYS 39 lone 3 100 - 3 - HG LEU 80 - H LYS 39 lone 3 73 - 4 - 11089/4.8=1 HG12 ILE 57 - H LYS 39 lone 2 100 - 2 - HB3 LEU 6 - H ILE 97 lone 2 92 - 2 - HG3 LYS 20 - H ILE 97 lone 2 51 - 4 - HG3 ARG 30 - H LYS 39 lone 1 99 - 1 - HG12 ILE 7 - H ILE 97 lone 1 91 - 1 - HG LEU 4 - H LYS 39 lone 1 98 - 1 - HG3 LYS 49 - H LYS 39 lone 1 100 - 1 - HG2 LYS 49 - H LYS 39 lone 1 100 - 1 - HG3 ARG 30 - H ILE 97 lone 1 89 - 1 - HG LEU 4 - H ILE 97 lone 1 88 - 1 - HB2 LEU 74 - H LYS 39 lone 1 94 - 1 - HG2 LYS 106 - H ILE 97 lone 1 91 - 1 - HG12 ILE 57 - H ILE 97 lone 1 91 - 1 - HG3 LYS 49 - H ILE 97 lone 1 92 - 1 - HG2 LYS 49 - H ILE 97 lone 1 92 - 1 - HB2 LEU 74 - H ILE 97 lone 0 82 - 0 - Peak 1244 from nnoeabs.peaks (1.70, 7.83, 118.40 ppm; 3.45 A): 3 out of 48 assignments used, quality = 0.98: * HG3 LYS 39 + H LYS 39 OK 76 100 - 76 - 4.9=34, 1.8/3588=15...(18) HD3 LYS 39 + H LYS 39 OK 68 98 - 70 - 6.2=17, 3.0/3598=13...(19) HD2 LYS 39 + H LYS 39 OK 68 97 - 70 - 6.2=17, 3.0/3598=13...(19) HG3 LYS 39 - H ILE 97 OK 29 92 - 32 - 3598=8, 1.8/3588=7...(8) HD3 LYS 96 - H ILE 97 OK 27 62 - 43 - 3.4/7797=13, 3.0/7799=8...(8) HD3 LYS 39 - H ILE 97 OK 24 88 - 27 - 3.0/3588=6, 3.0/3598=5...(8) HD2 LYS 96 - H ILE 97 OK 24 55 - 43 - 3.4/7797=13, 3.0/7799=8...(8) HD2 LYS 39 - H ILE 97 OK 23 86 - 27 - 3.0/3588=6, 3.0/3598=5...(8) HD3 LYS 96 - H LYS 39 OK 22 73 - 30 - 3.4/7797=8, 3.0/7798=4...(9) HD2 LYS 96 - H LYS 39 OK 20 65 - 30 - 3.4/7797=8, 3.0/7798=4...(8) HD3 LYS 44 - H LYS 39 OK 19 99 - 20 - 2.9/7798=2, 3618=2...(7) HD2 LYS 44 - H LYS 39 OK 19 100 - 19 - 2.9/7798=2, 3618=2...(7) HD2 LYS 44 - H ILE 97 OK 18 91 - 20 - 3951/3.6=3, 2.9/7798=2...(12) HD3 LYS 44 - H ILE 97 OK 17 90 - 19 - 3951/3.6=3, 2.9/7798=2...(11) HD2 LYS 40 - H LYS 39 poor 9 70 - 13 - 6.2/218=5, 3.6/1242=1, 3.6/614=1 HD3 LYS 40 - H LYS 39 poor 8 65 - 13 - 6.2/218=5, 3.6/1242=1, 3.6/614=1 HD2 LYS 40 - H ILE 97 lone 5 58 - 9 - 6.2/218=3, 3.6/614=1...(4) HD3 LYS 43 - H LYS 39 lone 5 77 - 7 - HD2 LYS 20 - H LYS 39 lone 5 90 - 6 - HD3 LYS 40 - H ILE 97 lone 5 55 - 9 - 6.2/218=3, 3.6/614=1...(4) HD3 LYS 20 - H LYS 39 lone 5 87 - 6 - HD2 LYS 20 - H ILE 97 lone 4 77 - 6 - HD3 LYS 16 - H LYS 39 lone 4 92 - 5 - HG3 LYS 123 - H LYS 39 lone 4 100 - 4 - HD3 LYS 20 - H ILE 97 lone 4 75 - 6 - HD2 LYS 16 - H LYS 39 lone 4 84 - 5 - HG12 ILE 71 - H ILE 97 lone 4 89 - 4 - ~9783=2 HD3 LYS 43 - H ILE 97 lone 4 65 - 6 - HD2 LYS 73 - H ILE 97 lone 4 68 - 6 - HD3 LYS 73 - H ILE 97 lone 4 65 - 6 - HD2 LYS 73 - H LYS 39 lone 3 81 - 4 - HG3 LYS 123 - H ILE 97 lone 3 92 - 3 - HD3 LYS 73 - H LYS 39 lone 3 77 - 4 - HB ILE 56 - H LYS 39 lone 1 92 - 2 - HD3 LYS 16 - H ILE 97 lone 1 80 - 1 - HD2 LYS 16 - H ILE 97 lone 1 72 - 1 - HB3 LYS 106 - H LYS 39 lone 1 73 - 1 - HB ILE 56 - H ILE 97 lone 1 80 - 1 - HG12 ILE 71 - H LYS 39 lone 1 99 - 1 - HB2 LYS 106 - H LYS 39 lone 1 65 - 1 - HD2 LYS 17 - H LYS 39 lone 1 65 - 1 - HG LEU 74 - H LYS 39 lone 1 99 - 1 - HD2 LYS 17 - H ILE 97 lone 1 55 - 1 - HB ILE 54 - H LYS 39 lone 0 70 - 1 - HG LEU 74 - H ILE 97 lone 0 89 - 0 - HB ILE 54 - H ILE 97 lone 0 58 - 1 - HB3 LYS 106 - H ILE 97 lone 0 62 - 1 - HB2 LYS 106 - H ILE 97 lone 0 55 - 0 - Peak 1245 from nnoeabs.peaks (1.71, 7.83, 118.40 ppm; 3.45 A): 3 out of 30 assignments used, quality = 0.98: HG3 LYS 39 + H LYS 39 OK 73 97 - 76 - 4.9=34, 1.8/3588=15...(18) * HD2 LYS 39 + H LYS 39 OK 70 100 - 70 - 6.2=17, 3.0/3598=13...(19) HD3 LYS 39 + H LYS 39 OK 70 100 - 70 - 6.2=17, 3.0/3598=13...(19) HG3 LYS 39 - H ILE 97 OK 27 86 - 31 - 3598=8, 1.8/3588=7...(8) HD2 LYS 39 - H ILE 97 OK 25 92 - 28 - 3.0/3588=6, 3.0/3598=5...(8) HD3 LYS 39 - H ILE 97 OK 25 92 - 28 - 3.0/3588=6, 3.0/3598=5...(8) HD3 LYS 44 - H LYS 39 OK 20 100 - 20 - 2.9/7798=2, 3618=2...(7) HD2 LYS 44 - H LYS 39 OK 19 99 - 19 - 2.9/7798=2, 3618=2...(7) HD3 LYS 44 - H ILE 97 OK 17 91 - 19 - 3961/3.6=3, 2.9/7798=2...(11) HD2 LYS 44 - H ILE 97 OK 17 89 - 19 - 3961/3.6=3, 2.9/7798=2...(11) HG3 LYS 123 - H LYS 39 lone 4 97 - 4 - HD2 LYS 20 - H LYS 39 lone 3 65 - 5 - HD3 LYS 16 - H LYS 39 lone 3 70 - 5 - HD3 LYS 20 - H LYS 39 lone 3 61 - 5 - HG12 ILE 71 - H ILE 97 lone 3 75 - 4 - ~9783=2 HG3 LYS 123 - H ILE 97 lone 3 86 - 3 - HB3 LEU 90 - H LYS 39 lone 3 70 - 4 - 3.1/216=2 HD2 LYS 20 - H ILE 97 lone 3 55 - 5 - HD3 LYS 20 - H ILE 97 lone 2 51 - 5 - HB3 LYS 106 - H LYS 39 lone 1 94 - 1 - HB2 LYS 106 - H LYS 39 lone 1 90 - 1 - HB ILE 56 - H LYS 39 lone 1 70 - 2 - HG12 ILE 71 - H LYS 39 lone 1 87 - 1 - HD3 LYS 16 - H ILE 97 lone 1 58 - 1 - HG LEU 74 - H LYS 39 lone 1 100 - 1 - HB ILE 56 - H ILE 97 lone 1 58 - 1 - HB3 LEU 90 - H ILE 97 lone 0 58 - 1 - HB3 LYS 106 - H ILE 97 lone 0 82 - 1 - HB2 LYS 106 - H ILE 97 lone 0 77 - 1 - HG LEU 74 - H ILE 97 lone 0 91 - 0 - Peak 1246 from nnoeabs.peaks (1.70, 7.83, 118.40 ppm; 3.45 A): 3 out of 32 assignments used, quality = 0.98: HG3 LYS 39 + H LYS 39 OK 74 98 - 76 - 4.9=34, 1.8/3588=15...(18) * HD3 LYS 39 + H LYS 39 OK 70 100 - 70 - 6.2=17, 3.0/3598=13...(19) HD2 LYS 39 + H LYS 39 OK 70 100 - 70 - 6.2=17, 3.0/3598=13...(19) HG3 LYS 39 - H ILE 97 OK 28 88 - 32 - 3598=8, 1.8/3588=7...(8) HD3 LYS 39 - H ILE 97 OK 25 92 - 28 - 3.0/3588=6, 3.0/3598=5...(8) HD2 LYS 39 - H ILE 97 OK 25 92 - 28 - 3.0/3588=6, 3.0/3598=5...(8) HD3 LYS 44 - H LYS 39 OK 20 100 - 20 - 2.9/7798=2, 3618=2...(7) HD2 LYS 44 - H LYS 39 OK 19 99 - 19 - 2.9/7798=2, 3618=2...(7) HD2 LYS 44 - H ILE 97 OK 17 90 - 19 - 3951/3.6=3, 2.9/7798=2...(11) HD3 LYS 44 - H ILE 97 OK 17 91 - 19 - 3961/3.6=3, 2.9/7798=2...(11) HG3 LYS 123 - H LYS 39 lone 4 98 - 4 - HD2 LYS 20 - H LYS 39 lone 4 70 - 5 - HD3 LYS 20 - H LYS 39 lone 3 65 - 5 - HD3 LYS 16 - H LYS 39 lone 3 73 - 5 - HG12 ILE 71 - H ILE 97 lone 3 77 - 4 - ~9783=2 HD2 LYS 16 - H LYS 39 lone 3 61 - 5 - HG3 LYS 123 - H ILE 97 lone 3 88 - 3 - HD2 LYS 20 - H ILE 97 lone 3 58 - 5 - HD3 LYS 20 - H ILE 97 lone 3 55 - 5 - HB3 LEU 90 - H LYS 39 lone 3 65 - 4 - 3.1/216=2 HB3 LYS 106 - H LYS 39 lone 1 92 - 1 - HB2 LYS 106 - H LYS 39 lone 1 87 - 1 - HB ILE 56 - H LYS 39 lone 1 73 - 2 - HD3 LYS 16 - H ILE 97 lone 1 62 - 1 - HG12 ILE 71 - H LYS 39 lone 1 90 - 1 - HG LEU 74 - H LYS 39 lone 1 100 - 1 - HB ILE 56 - H ILE 97 lone 1 62 - 1 - HD2 LYS 16 - H ILE 97 lone 1 51 - 1 - HB3 LYS 106 - H ILE 97 lone 0 80 - 1 - HB3 LEU 90 - H ILE 97 lone 0 55 - 1 - HG LEU 74 - H ILE 97 lone 0 92 - 0 - HB2 LYS 106 - H ILE 97 lone 0 75 - 1 - Peak 1249 from nnoeabs.peaks (7.78, 7.78, 119.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 40 + H LYS 40 OK 100 100 - 100 Peak 1250 from nnoeabs.peaks (4.02, 7.78, 119.27 ppm; 3.05 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 40 + H LYS 40 OK 100 100 - 100 - 3.0=100 Peak 1251 from nnoeabs.peaks (1.99, 7.78, 119.27 ppm; 2.66 A): 2 out of 6 assignments used, quality = 0.77: * HB2 LYS 40 + H LYS 40 OK 71 100 - 71 - 4.0=29, 3650/3.0=15...(17) HB3 LYS 96 + H LYS 40 OK 20 61 - 33 - 3.0/2040=8, 6091=5...(15) HB3 GLU 103 - H LYS 40 lone 2 100 - 2 - 3.0/2041=1 HB2 LYS 17 - H LYS 40 lone 2 100 - 2 - HB VAL 22 - H LYS 40 lone 0 98 - 0 - HB3 GLU 21 - H LYS 40 lone 0 70 - 0 - Peak 1252 from nnoeabs.peaks (1.95, 7.78, 119.27 ppm; 2.67 A): 5 out of 17 assignments used, quality = 0.95: * HB3 LYS 40 + H LYS 40 OK 70 100 - 70 - 4.0=29, 1.8/3658=16...(16) HB3 LYS 39 + H LYS 40 OK 53 100 - 53 - 4.3=24, 1.8/7473=11...(11) HB2 LYS 39 + H LYS 40 OK 48 90 - 54 - 4.3=24, 1.8/7474=12...(11) HB3 GLU 41 + H LYS 40 OK 14 99 - 14 - 4.0/1885=10, 3651/3.0=1 HB2 GLU 41 + H LYS 40 OK 14 99 - 14 - 4.0/1885=10, 3651/3.0=1 HB3 MET 42 - H LYS 40 lone 6 99 - 6 - 8060/3.6=2, 3651/3.0=1 HB2 LYS 123 - H LYS 40 lone 3 90 - 3 - HB VAL 104 - H LYS 40 lone 3 100 - 3 - 2.1/9392=1 HB3 LYS 115 - H LYS 40 lone 2 90 - 2 - HB2 LYS 65 - H LYS 40 lone 2 90 - 2 - HB3 LYS 65 - H LYS 40 lone 1 87 - 2 - HB VAL 29 - H LYS 40 lone 1 96 - 1 - HB2 LYS 115 - H LYS 40 lone 1 70 - 2 - HB3 GLU 128 - H LYS 40 lone 1 94 - 1 - HB2 LEU 127 - H LYS 40 lone 1 87 - 1 - HB2 LEU 70 - H LYS 40 lone 1 100 - 1 - HB3 GLU 52 - H LYS 40 lone 0 97 - 0 - Peak 1253 from nnoeabs.peaks (1.38, 7.78, 119.27 ppm; 3.90 A): 1 out of 7 assignments used, quality = 0.95: * HG2 LYS 40 + H LYS 40 OK 95 100 - 95 - 4.8=55, 2.7/1251=32...(20) HG3 LYS 43 - H LYS 40 OK 27 94 - 29 - 3652/3.0=6, 3678=6...(12) HG3 LYS 16 - H LYS 40 OK 23 70 - 33 - 1.8/1254=9, ~11424=6...(12) HG2 LYS 94 - H LYS 40 lone 5 92 - 5 - 4.9/2156=2, 597/1938=1 HB3 LEU 68 - H LYS 40 lone 1 100 - 1 - HG LEU 14 - H LYS 40 lone 1 100 - 1 - HB3 LEU 114 - H LYS 40 lone 1 65 - 1 - Peak 1254 from nnoeabs.peaks (1.62, 7.78, 119.27 ppm; 3.30 A): 2 out of 10 assignments used, quality = 0.89: * HG3 LYS 40 + H LYS 40 OK 85 100 - 85 - 4.8=34, 2.7/1251=25...(20) HG2 LYS 16 + H LYS 40 OK 24 97 - 25 - 11424/3.0=6, 1.8/1253=4...(7) HG LEU 63 - H LYS 40 lone 4 100 - 4 - 11254/9392=2 HG LEU 90 - H LYS 40 lone 2 61 - 3 - 2.1/9392=2 HD3 LYS 77 - H LYS 40 lone 2 100 - 2 - HD2 LYS 77 - H LYS 40 lone 2 99 - 2 - HB2 LEU 82 - H LYS 40 lone 1 100 - 1 - HB3 LEU 127 - H LYS 40 lone 1 97 - 1 - HB3 LEU 64 - H LYS 40 lone 1 94 - 1 - HB ILE 116 - H LYS 40 lone 1 92 - 1 - Peak 1255 from nnoeabs.peaks (1.68, 7.78, 119.27 ppm; 3.60 A): 2 out of 20 assignments used, quality = 0.96: * HD2 LYS 40 + H LYS 40 OK 81 100 - 81 - 3.6/1251=22, 2.9/1254=21...(19) HD3 LYS 40 + H LYS 40 OK 81 100 - 81 - 3.6/1251=22, 2.9/1254=21...(19) HD3 LYS 96 - H LYS 40 OK 42 100 - 43 - 3.4/6091=9, 5.3/2040=6...(15) HD2 LYS 96 - H LYS 40 OK 42 100 - 43 - 3.4/6091=9, 5.3/2040=6...(15) HG3 LYS 39 - H LYS 40 OK 41 70 - 59 - 2.9/7474=15, 2.9/7473=14...(13) HD2 LYS 16 - H LYS 40 OK 35 99 - 35 - 2.9/1254=6, 2.9/1253=4...(16) HD3 LYS 16 - H LYS 40 OK 34 97 - 35 - 2.9/1254=6, 2.9/1253=4...(16) HG3 ARG 95 - H LYS 40 OK 32 98 - 33 - 7792=6, 3.0/7790=5...(11) HD3 LYS 43 - H LYS 40 OK 25 100 - 25 - 2.9/1253=5, ~3652=2...(13) HD2 LYS 43 - H LYS 40 OK 24 100 - 24 - 2.9/1253=5, ~3652=2...(13) HD3 LYS 20 - H LYS 40 OK 12 99 - 13 - HD2 LYS 20 - H LYS 40 OK 12 98 - 12 - HD3 LYS 73 - H LYS 40 lone 9 100 - 9 - HD2 LYS 73 - H LYS 40 lone 9 100 - 9 - HD2 LYS 44 - H LYS 40 poor 9 61 - 14 - 5.4/2040=3, 2.9/6101=2...(5) HD2 LYS 17 - H LYS 40 lone 4 100 - 4 - 2862/4.0=1 HG3 LYS 123 - H LYS 40 lone 4 70 - 6 - HB ILE 54 - H LYS 40 lone 1 100 - 1 - HG12 ILE 71 - H LYS 40 lone 1 87 - 1 - HB ILE 56 - H LYS 40 lone 1 97 - 1 - Peak 1256 from nnoeabs.peaks (1.68, 7.78, 119.27 ppm; 3.60 A): 2 out of 19 assignments used, quality = 0.96: * HD3 LYS 40 + H LYS 40 OK 81 100 - 81 - 3.6/1251=22, 2.9/1254=21...(19) HD2 LYS 40 + H LYS 40 OK 81 100 - 81 - 3.6/1251=22, 2.9/1254=21...(19) HD3 LYS 96 - H LYS 40 OK 42 100 - 43 - 3.4/6091=9, 5.3/2040=6...(15) HD2 LYS 96 - H LYS 40 OK 42 100 - 42 - 3.4/6091=9, 5.3/2040=6...(15) HG3 LYS 39 - H LYS 40 OK 39 65 - 59 - 2.9/7474=15, 2.9/7473=14...(13) HD2 LYS 16 - H LYS 40 OK 35 99 - 35 - 2.9/1254=6, 2.9/1253=4...(16) HD3 LYS 16 - H LYS 40 OK 33 96 - 35 - 2.9/1254=6, 2.9/1253=4...(16) HG3 ARG 95 - H LYS 40 OK 32 99 - 33 - 7792=6, 3.0/7790=5...(11) HD3 LYS 43 - H LYS 40 OK 25 100 - 25 - 2.9/1253=5, ~3652=2...(13) HD2 LYS 43 - H LYS 40 OK 24 100 - 24 - 2.9/1253=5, ~3652=2...(13) HD3 LYS 20 - H LYS 40 OK 12 98 - 12 - HD2 LYS 20 - H LYS 40 OK 12 97 - 12 - HD3 LYS 73 - H LYS 40 lone 9 100 - 9 - HD2 LYS 73 - H LYS 40 lone 9 99 - 9 - HD2 LYS 17 - H LYS 40 lone 4 100 - 4 - 2862/4.0=1 HG3 LYS 123 - H LYS 40 lone 4 65 - 5 - HB ILE 54 - H LYS 40 lone 1 100 - 1 - HG12 ILE 71 - H LYS 40 lone 1 84 - 1 - HB ILE 56 - H LYS 40 lone 1 96 - 1 - Peak 1257 from nnoeabs.peaks (2.97, 7.78, 119.27 ppm; 5.16 A): 4 out of 16 assignments used, quality = 1.00: * HE2 LYS 40 + H LYS 40 OK 88 100 - 88 - 7.5=33, 3.9/1254=29...(16) HE3 LYS 40 + H LYS 40 OK 88 100 - 88 - 7.5=33, 3.9/1254=29...(16) HE2 LYS 39 + H LYS 40 OK 64 90 - 72 - 3.6/7475=20, 3.6/7476=18...(16) HE3 LYS 39 + H LYS 40 OK 60 84 - 72 - 3.6/7475=20, 3.6/7476=18...(16) HE3 LYS 43 - H LYS 40 OK 35 97 - 36 - 3.9/1253=7, 3666/4.0=3...(16) HE2 LYS 43 - H LYS 40 OK 31 87 - 35 - 3.9/1253=7, 3666/4.0=3...(16) HE2 LYS 20 - H LYS 40 OK 22 99 - 22 - 3667/4.0=3, 3697/4.8=3...(11) HE3 LYS 20 - H LYS 40 OK 22 99 - 22 - 3667/4.0=3, 3697/4.8=3...(11) HE3 LYS 73 - H LYS 40 OK 16 94 - 16 - 3666/4.0=2, 3696/4.8=2...(5) HE2 LYS 73 - H LYS 40 OK 13 81 - 16 - 3666/4.0=2, 3696/4.8=2...(5) HE3 LYS 106 - H LYS 40 lone 2 77 - 3 - HE2 LYS 106 - H LYS 40 lone 2 73 - 3 - HB3 ASN 24 - H LYS 40 lone 2 100 - 2 - HB2 ASN 24 - H LYS 40 lone 2 100 - 2 - HD3 ARG 118 - H LYS 40 lone 2 100 - 2 - HB3 PHE 51 - H LYS 40 lone 2 100 - 2 - Peak 1259 from nnoeabs.peaks (8.72, 8.72, 119.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 41 + H GLU 41 OK 100 100 - 100 Peak 1260 from nnoeabs.peaks (4.26, 8.72, 119.65 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 41 + H GLU 41 OK 100 100 - 100 - 3.0=100 Peak 1261 from nnoeabs.peaks (1.95, 8.72, 119.65 ppm; 2.93 A): 3 out of 16 assignments used, quality = 0.94: HB3 LYS 40 + H GLU 41 OK 62 99 - 63 - 4.6=26, 1.8/230=25...(8) * HB2 GLU 41 + H GLU 41 OK 61 100 - 61 - 4.0=38, 3.0/1264=16...(5) HB3 GLU 41 + H GLU 41 OK 61 100 - 61 - 4.0=38, 3.0/1264=16...(5) HB3 MET 42 - H GLU 41 OK 21 100 - 21 - 3.9/238=13, 4.6/2047=6 HB3 LYS 39 - H GLU 41 OK 20 100 - 20 - 4.3/1885=12, 3.0/8055=4 HB2 LYS 39 - H GLU 41 OK 14 73 - 20 - 4.3/1885=12, 3.0/8055=4 HB VAL 29 - H GLU 41 lone 2 100 - 2 - HB3 GLU 128 - H GLU 41 lone 2 99 - 2 - HB2 LYS 123 - H GLU 41 lone 2 73 - 3 - HB2 LYS 65 - H GLU 41 lone 1 73 - 2 - HB3 LYS 65 - H GLU 41 lone 1 70 - 2 - HB2 LEU 70 - H GLU 41 lone 1 96 - 1 - HB3 LYS 115 - H GLU 41 lone 1 73 - 1 - HB VAL 104 - H GLU 41 lone 1 99 - 1 - HB2 LEU 127 - H GLU 41 lone 0 70 - 0 - HB3 GLU 52 - H GLU 41 lone 0 100 - 0 - Peak 1262 from nnoeabs.peaks (1.95, 8.72, 119.65 ppm; 2.93 A): 3 out of 16 assignments used, quality = 0.94: HB3 LYS 40 + H GLU 41 OK 62 99 - 63 - 4.6=26, 1.8/230=25...(8) * HB3 GLU 41 + H GLU 41 OK 61 100 - 61 - 4.0=38, 3.0/1264=16...(5) HB2 GLU 41 + H GLU 41 OK 61 100 - 61 - 4.0=38, 3.0/1264=16...(5) HB3 MET 42 - H GLU 41 OK 21 100 - 21 - 3.9/238=13, 4.6/2047=6 HB3 LYS 39 - H GLU 41 OK 20 100 - 20 - 4.3/1885=12, 3.0/8055=4 HB2 LYS 39 - H GLU 41 OK 15 77 - 20 - 4.3/1885=12, 3.0/8055=4 HB VAL 29 - H GLU 41 lone 2 99 - 2 - HB2 LYS 123 - H GLU 41 lone 2 77 - 3 - HB3 GLU 128 - H GLU 41 lone 2 99 - 2 - HB2 LYS 65 - H GLU 41 lone 1 77 - 2 - HB3 LYS 65 - H GLU 41 lone 1 73 - 2 - HB2 LEU 70 - H GLU 41 lone 1 97 - 1 - HB3 LYS 115 - H GLU 41 lone 1 77 - 1 - HB VAL 104 - H GLU 41 lone 1 100 - 1 - HB2 LEU 127 - H GLU 41 lone 0 73 - 0 - HB3 GLU 52 - H GLU 41 lone 0 100 - 0 - Peak 1263 from nnoeabs.peaks (2.13, 8.72, 119.65 ppm; 3.77 A): 2 out of 8 assignments used, quality = 0.77: * HG2 GLU 41 + H GLU 41 OK 74 100 - 74 - 4.9=45, 1.8/1264=36...(5) HB2 LEU 38 + H GLU 41 OK 12 61 - 20 - 2.9/2045=15, 242/4.6=4 HB2 GLU 119 - H GLU 41 lone 2 73 - 3 - 3.0/1264=1 HB3 GLU 119 - H GLU 41 lone 2 61 - 2 - 3.0/1264=1 HB VAL 107 - H GLU 41 lone 1 70 - 2 - HG3 GLN 83 - H GLU 41 lone 1 73 - 2 - HB2 GLU 91 - H GLU 41 lone 1 96 - 1 - HB2 GLU 21 - H GLU 41 lone 1 70 - 1 - Peak 1264 from nnoeabs.peaks (2.46, 8.72, 119.65 ppm; 3.56 A): 1 out of 7 assignments used, quality = 0.66: * HG3 GLU 41 + H GLU 41 OK 66 100 - 66 - 4.9=38, 1.8/1263=26...(7) HG3 GLU 119 - H GLU 41 lone 3 100 - 3 - 243/4.6=1 HG2 GLU 37 - H GLU 41 lone 2 70 - 3 - 3.9/8047=2 HB2 ASP 31 - H GLU 41 lone 1 96 - 1 - HB3 ASP 31 - H GLU 41 lone 1 94 - 1 - HB2 TYR 102 - H GLU 41 lone 1 84 - 1 - HG2 GLN 100 - H GLU 41 lone 0 65 - 1 - Peak 1265 from nnoeabs.peaks (8.78, 8.78, 118.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H MET 42 + H MET 42 OK 100 100 - 100 Peak 1266 from nnoeabs.peaks (4.38, 8.78, 118.11 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 42 + H MET 42 OK 100 100 - 100 - 3.0=100 Peak 1267 from nnoeabs.peaks (2.19, 8.78, 118.11 ppm; 3.60 A): 1 out of 11 assignments used, quality = 0.92: * HB2 MET 42 + H MET 42 OK 92 100 - 92 - 3.9=76, 3.0/1269=26...(9) HB2 MET 67 - H MET 42 lone 7 87 - 8 - 3805/6.1=2, 9704/9412=1 HG3 GLU 66 - H MET 42 lone 7 99 - 7 - 4.9/11316=2, 10989/9412=1 HB2 GLU 69 - H MET 42 lone 2 92 - 2 - HB3 GLU 37 - H MET 42 lone 2 73 - 2 - HB3 MET 1 - H MET 42 lone 2 97 - 2 - HG3 GLN 28 - H MET 42 lone 1 90 - 1 - HB2 GLU 98 - H MET 42 lone 1 87 - 1 - HB2 GLN 85 - H MET 42 lone 1 65 - 1 - HB2 GLN 100 - H MET 42 lone 1 61 - 1 - HG2 GLU 48 - H MET 42 lone 1 90 - 1 - Peak 1268 from nnoeabs.peaks (1.95, 8.78, 118.11 ppm; 3.30 A): 3 out of 16 assignments used, quality = 0.97: * HB3 MET 42 + H MET 42 OK 85 100 - 85 - 3.9=58, 1.8/1267=25...(8) HB2 GLU 41 + H MET 42 OK 55 100 - 55 - 4.7=36, 4.0/238=16...(5) HB3 GLU 41 + H MET 42 OK 55 100 - 55 - 4.7=36, 4.0/238=16...(5) HB3 LYS 40 - H MET 42 OK 37 99 - 37 - 4.6/238=13, 3329=10...(5) HB3 LYS 39 - H MET 42 OK 23 100 - 23 - 3.0/8056=14, 4.3/11316=8...(4) HB2 LYS 39 - H MET 42 OK 17 73 - 23 - 3.0/8056=14, 4.3/11316=8 HB2 LEU 70 - H MET 42 OK 13 96 - 14 - 3.1/9413=7, 3.1/9413=5 HB VAL 29 - H MET 42 lone 3 100 - 3 - 2.1/3334=1 HB VAL 104 - H MET 42 lone 3 99 - 3 - HB2 LYS 65 - H MET 42 lone 2 73 - 3 - 4.7/11316=2 HB3 LYS 65 - H MET 42 lone 2 70 - 3 - 4.7/11316=2 HB3 GLU 128 - H MET 42 lone 2 99 - 1 - HB2 LYS 123 - H MET 42 lone 1 73 - 2 - HB3 LYS 115 - H MET 42 lone 1 73 - 1 - HB3 GLU 52 - H MET 42 lone 0 100 - 0 - HB2 LEU 127 - H MET 42 lone 0 70 - 0 - Peak 1269 from nnoeabs.peaks (2.66, 8.78, 118.11 ppm; 3.51 A): 1 out of 8 assignments used, quality = 0.79: * HG2 MET 42 + H MET 42 OK 79 100 - 79 - 5.0=34, 1.8/1270=30...(11) HB3 ASP 84 - H MET 42 lone 3 96 - 3 - 10992/9412=1 HB3 ASP 36 - H MET 42 lone 2 98 - 2 - 11036/8056=1 HB2 TYR 76 - H MET 42 lone 1 96 - 2 - HB2 TYR 27 - H MET 42 lone 1 97 - 1 - HB2 ASP 12 - H MET 42 lone 1 81 - 1 - HB3 ASP 12 - H MET 42 lone 1 81 - 1 - HE3 LYS 61 - H MET 42 lone 0 65 - 1 - Peak 1270 from nnoeabs.peaks (2.76, 8.78, 118.11 ppm; 3.70 A): 1 out of 4 assignments used, quality = 0.84: * HG3 MET 42 + H MET 42 OK 84 100 - 84 - 5.0=40, 1.8/1269=35...(11) HE2 LYS 2 - H MET 42 lone 4 100 - 4 - HB3 TYR 102 - H MET 42 lone 3 92 - 3 - HB3 ASN 11 - H MET 42 lone 1 70 - 2 - Peak 1271 from nnoeabs.peaks (1.87, 8.78, 118.11 ppm; 3.71 A): 3 out of 11 assignments used, quality = 0.88: * QE MET 42 + H MET 42 OK 77 100 - 77 - 3804/3.0=28, 3.3/1269=25...(10) HG LEU 45 + H MET 42 OK 40 73 - 54 - ~9435=11, 3.0/9411=10...(10) HG LEU 70 + H MET 42 OK 13 65 - 20 - 2.1/9413=10, 2.1/9413=7...(4) HB2 LYS 16 - H MET 42 poor 10 81 - 12 - 3.0/2050=6, 4.7/1866=2...(4) HB3 LYS 16 - H MET 42 poor 9 77 - 12 - 3.0/2050=6, 4.7/1866=2...(4) HB2 LEU 63 - H MET 42 lone 7 99 - 7 - 3.1/9414=2, 11259/9412=2 QE MET 67 - H MET 42 lone 6 81 - 7 - 9723/9412=2, 9729/8054=1 HG2 ARG 95 - H MET 42 lone 4 92 - 4 - 3774/3.0=1 HB3 ARG 118 - H MET 42 lone 1 99 - 1 - HB2 ARG 105 - H MET 42 lone 1 94 - 1 - HG LEU 127 - H MET 42 lone 1 96 - 1 - Peak 1272 from nnoeabs.peaks (7.50, 7.50, 120.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 43 + H LYS 43 OK 100 100 - 100 Peak 1273 from nnoeabs.peaks (4.09, 7.50, 120.74 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 43 + H LYS 43 OK 100 100 - 100 - 3.0=100 Peak 1274 from nnoeabs.peaks (1.91, 7.50, 120.74 ppm; 2.84 A): 4 out of 20 assignments used, quality = 0.96: * HB2 LYS 43 + H LYS 43 OK 71 100 - 71 - 4.0=36, 4.7/1888=11...(19) HB3 LYS 43 + H LYS 43 OK 69 98 - 70 - 4.0=36, 4.7/1888=11...(17) HB3 LYS 44 + H LYS 43 OK 32 100 - 32 - 4.0/1888=14, 3820=5...(6) HB2 LYS 44 + H LYS 43 OK 31 99 - 32 - 4.0/1888=14, 3820=5...(6) HB3 LYS 20 - H LYS 43 OK 15 70 - 21 - 2.9/1276=4, 3830=2...(9) HB2 LYS 20 - H LYS 43 OK 15 70 - 21 - 2.9/1276=4, 3830=2...(9) HB2 LEU 45 - H LYS 43 OK 14 100 - 14 - 8079/3.6=7, 4.0/2057=4 HB2 LYS 96 - H LYS 43 lone 6 98 - 6 - HB2 ARG 95 - H LYS 43 lone 5 92 - 5 - 3.9/2057=2 HB2 LYS 73 - H LYS 43 lone 4 87 - 5 - HB3 LYS 73 - H LYS 43 lone 4 84 - 5 - HB3 LYS 123 - H LYS 43 lone 2 97 - 2 - HB3 LYS 17 - H LYS 43 lone 1 77 - 1 - HB ILE 15 - H LYS 43 lone 1 96 - 1 - HB2 GLU 128 - H LYS 43 lone 1 98 - 1 - HB ILE 71 - H LYS 43 lone 0 90 - 1 - HB2 LYS 49 - H LYS 43 lone 0 96 - 0 - HB2 LEU 81 - H LYS 43 lone 0 87 - 0 - HB ILE 7 - H LYS 43 lone 0 77 - 0 - HG2 MET 121 - H LYS 43 lone 0 92 - 0 - Peak 1275 from nnoeabs.peaks (1.90, 7.50, 120.74 ppm; 2.84 A): 3 out of 20 assignments used, quality = 0.94: * HB3 LYS 43 + H LYS 43 OK 70 100 - 70 - 4.0=36, 4.7/1888=11...(17) HB2 LYS 43 + H LYS 43 OK 70 98 - 71 - 4.0=36, 4.7/1888=11...(19) HB3 LYS 44 + H LYS 43 OK 31 99 - 31 - 4.0/1888=14, 3820=5...(6) HB2 LYS 44 - H LYS 43 OK 29 92 - 31 - 4.0/1888=14, 3820=5...(6) HB2 LYS 20 - H LYS 43 OK 19 90 - 21 - 2.9/1276=4, 3830=3...(9) HB3 LYS 20 - H LYS 43 OK 19 90 - 21 - 2.9/1276=4, 3830=3...(9) HB2 LEU 45 - H LYS 43 OK 14 100 - 14 - 8079/3.6=7, 4.0/2057=4 HB2 LYS 96 - H LYS 43 lone 6 100 - 6 - HG LEU 45 - H LYS 43 lone 5 61 - 9 - 5.0/2057=4, 9434/3.6=3 HB2 ARG 95 - H LYS 43 lone 5 99 - 5 - 3.9/2057=2 HB2 LYS 73 - H LYS 43 lone 5 98 - 5 - HB3 LYS 73 - H LYS 43 lone 4 97 - 5 - HB3 LYS 123 - H LYS 43 lone 2 84 - 2 - HB2 GLU 128 - H LYS 43 lone 1 100 - 1 - HB ILE 71 - H LYS 43 lone 1 99 - 1 - HB ILE 15 - H LYS 43 lone 1 81 - 1 - HB2 LYS 49 - H LYS 43 lone 0 100 - 0 - HB ILE 7 - H LYS 43 lone 0 94 - 0 - HB2 LEU 81 - H LYS 43 lone 0 65 - 0 - HG2 MET 121 - H LYS 43 lone 0 73 - 0 - Peak 1276 from nnoeabs.peaks (1.51, 7.50, 120.74 ppm; 3.88 A): 3 out of 11 assignments used, quality = 0.93: * HG2 LYS 43 + H LYS 43 OK 87 100 - 87 - 4.9=49, 3814/3.0=21...(24) HG2 LYS 20 + H LYS 43 OK 36 97 - 37 - 3814/3.0=10, ~3073=5...(13) HG LEU 38 + H LYS 43 OK 11 96 - 12 - 9376/8061=5, 9378/249=3 HB3 LEU 14 - H LYS 43 lone 5 77 - 7 - 3814/3.0=1, 3.0/1277=1 QB ALA 124 - H LYS 43 lone 4 94 - 4 - HD3 LYS 17 - H LYS 43 lone 2 99 - 2 - HB2 LEU 6 - H LYS 43 lone 1 99 - 1 - HB2 LYS 61 - H LYS 43 lone 1 99 - 1 - HG LEU 6 - H LYS 43 lone 1 97 - 1 - HB3 ARG 30 - H LYS 43 lone 1 100 - 1 - HG2 ARG 30 - H LYS 43 lone 1 73 - 1 - Peak 1277 from nnoeabs.peaks (1.37, 7.50, 120.74 ppm; 4.24 A): 2 out of 7 assignments used, quality = 0.97: * HG3 LYS 43 + H LYS 43 OK 94 100 - 94 - 4.9=64, 1.8/1276=25...(25) HG2 LYS 40 + H LYS 43 OK 47 94 - 50 - 4.0/8063=22, 5.0/2047=15...(7) HG2 LYS 94 - H LYS 43 OK 23 100 - 23 - 3815/3.0=6, 256/4.6=3...(8) HG LEU 14 - H LYS 43 lone 8 96 - 8 - 3815/3.0=2, ~9168=2...(4) HB3 LEU 68 - H LYS 43 lone 3 90 - 3 - 256/4.6=1, 3815/3.0=1 HB3 LEU 81 - H LYS 43 lone 1 81 - 1 - HG2 LYS 77 - H LYS 43 lone 1 77 - 1 - Peak 1278 from nnoeabs.peaks (1.68, 7.50, 120.74 ppm; 4.06 A): 2 out of 18 assignments used, quality = 0.97: * HD2 LYS 43 + H LYS 43 OK 83 100 - 83 - 5.9=33, 2.9/1276=18...(18) HD3 LYS 43 + H LYS 43 OK 82 99 - 83 - 5.9=33, 2.9/1276=18...(18) HD3 LYS 20 - H LYS 43 OK 42 96 - 44 - 3.0/1276=8, ~3063=5...(16) HD2 LYS 20 - H LYS 43 OK 41 94 - 44 - 3.0/1276=8, ~3063=5...(16) HD3 LYS 40 - H LYS 43 OK 35 100 - 35 - 5.3/8063=14, 2.9/1277=8...(7) HD2 LYS 40 - H LYS 43 OK 35 100 - 35 - 5.3/8063=14, 2.9/1277=8...(7) HD3 LYS 73 - H LYS 43 OK 16 99 - 17 - 3816/3.0=2, 3860=2...(7) HD2 LYS 73 - H LYS 43 OK 16 98 - 17 - 3816/3.0=2, 3860=2...(7) HD3 LYS 96 - H LYS 43 OK 13 99 - 13 - 3870=1, 3816/3.0=1, 1.8/3860=1 HD2 LYS 96 - H LYS 43 OK 13 100 - 13 - 1.8/3870=1, 3860=1, 3816/3.0=1 HG3 ARG 95 - H LYS 43 OK 10 100 - 10 - 4.7/2057=4, 6047/2057=2 HD2 LYS 16 - H LYS 43 lone 7 97 - 7 - 5.2/2056=3, 3709/8063=1 HD3 LYS 16 - H LYS 43 lone 7 92 - 7 - 5.2/2056=3, 3699/8063=1 HD2 LYS 17 - H LYS 43 lone 3 100 - 3 - HB ILE 54 - H LYS 43 lone 1 100 - 1 - HB ILE 56 - H LYS 43 lone 1 92 - 1 - HG12 ILE 71 - H LYS 43 lone 1 77 - 1 - HD3 LYS 115 - H LYS 43 lone 1 61 - 1 - Peak 1279 from nnoeabs.peaks (1.68, 7.50, 120.74 ppm; 4.06 A): 2 out of 21 assignments used, quality = 0.97: * HD3 LYS 43 + H LYS 43 OK 83 100 - 83 - 5.9=33, 2.9/1276=18...(19) HD2 LYS 43 + H LYS 43 OK 82 99 - 83 - 5.9=33, 2.9/1276=18...(18) HD3 LYS 20 - H LYS 43 OK 44 100 - 44 - 3.0/1276=8, ~3063=5...(16) HD2 LYS 20 - H LYS 43 OK 44 99 - 44 - 3.0/1276=8, ~3063=5...(16) HD2 LYS 40 - H LYS 43 OK 35 100 - 35 - 5.3/8063=14, 2.9/1277=8...(7) HD3 LYS 40 - H LYS 43 OK 35 100 - 35 - 5.3/8063=14, 2.9/1277=8...(7) HG3 LYS 39 - H LYS 43 OK 19 77 - 24 - 3.8/8061=17, 2.9/247=3 HD2 LYS 44 - H LYS 43 OK 17 70 - 25 - 6.4/1888=13, 3.7/3820=5...(4) HD2 LYS 73 - H LYS 43 OK 17 100 - 17 - 3816/3.0=2, 3870=2...(7) HD3 LYS 73 - H LYS 43 OK 17 100 - 17 - 3816/3.0=2, 3870=2...(7) HD3 LYS 44 - H LYS 43 OK 15 61 - 25 - 6.4/1888=13, 3.7/3820=5...(4) HD3 LYS 96 - H LYS 43 OK 14 100 - 14 - 3870=1, 3816/3.0=1, 1.8/3860=1 HD2 LYS 96 - H LYS 43 OK 13 100 - 13 - 1.8/3870=1, 3860=1, 3816/3.0=1 HG3 ARG 95 - H LYS 43 lone 10 96 - 10 - 4.7/2057=4, 6047/2057=2 HD2 LYS 16 - H LYS 43 lone 8 100 - 8 - 5.2/2056=3, 3699/8063=1 HD3 LYS 16 - H LYS 43 lone 7 99 - 7 - 5.2/2056=3, 3699/8063=1 HG3 LYS 123 - H LYS 43 lone 3 77 - 4 - 3.9/2055=1 HD2 LYS 17 - H LYS 43 lone 3 100 - 3 - HB ILE 56 - H LYS 43 lone 1 99 - 1 - HB ILE 54 - H LYS 43 lone 1 100 - 1 - HG12 ILE 71 - H LYS 43 lone 1 92 - 1 - Peak 1282 from nnoeabs.peaks (7.45, 7.45, 118.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 44 + H LYS 44 OK 100 100 - 100 Peak 1283 from nnoeabs.peaks (4.06, 7.45, 118.27 ppm; 3.13 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 44 + H LYS 44 OK 100 100 - 100 - 3.0=100 Peak 1284 from nnoeabs.peaks (1.91, 7.45, 118.27 ppm; 2.72 A): 4 out of 19 assignments used, quality = 0.97: * HB2 LYS 44 + H LYS 44 OK 66 100 - 66 - 4.0=30, 2.9/1286=9...(23) HB3 LYS 44 + H LYS 44 OK 66 99 - 66 - 4.0=30, 2.9/1286=9...(23) HB2 LYS 43 + H LYS 44 OK 52 99 - 52 - 4.7=20, 3.0/252=15...(7) HB3 LYS 43 + H LYS 44 OK 48 92 - 52 - 4.7=20, 3.0/252=15...(7) HB2 LYS 96 - H LYS 44 OK 21 92 - 23 - 2.9/1286=5, 2.9/1287=4...(6) HB2 LEU 45 - H LYS 44 OK 19 97 - 19 - 4.0/261=12, 4.3/2062=5 HB3 LYS 123 - H LYS 44 lone 5 100 - 5 - 2.9/1286=1 HB2 ARG 95 - H LYS 44 lone 5 81 - 6 - 6023/4.6=2, 3.9/1889=2 HB2 LYS 73 - H LYS 44 lone 4 73 - 5 - HB3 LYS 73 - H LYS 44 lone 4 70 - 5 - HB2 GLU 128 - H LYS 44 lone 1 92 - 1 - HB ILE 15 - H LYS 44 lone 1 99 - 1 - HB3 LYS 17 - H LYS 44 lone 1 90 - 1 - HB ILE 71 - H LYS 44 lone 1 77 - 1 - HB2 LEU 81 - H LYS 44 lone 0 96 - 0 - HG2 MET 121 - H LYS 44 lone 0 98 - 0 - HB2 LYS 115 - H LYS 44 lone 0 70 - 0 - HB2 LYS 49 - H LYS 44 lone 0 87 - 0 - HB ILE 7 - H LYS 44 lone 0 61 - 0 - Peak 1285 from nnoeabs.peaks (1.91, 7.45, 118.27 ppm; 2.72 A): 4 out of 20 assignments used, quality = 0.97: * HB3 LYS 44 + H LYS 44 OK 66 100 - 66 - 4.0=30, 2.9/1286=9...(23) HB2 LYS 44 + H LYS 44 OK 66 99 - 66 - 4.0=30, 2.9/1286=9...(23) HB2 LYS 43 + H LYS 44 OK 52 100 - 52 - 4.7=20, 3.0/252=15...(7) HB3 LYS 43 + H LYS 44 OK 52 99 - 52 - 4.7=20, 3.0/252=15...(7) HB2 LYS 96 - H LYS 44 OK 23 99 - 23 - 2.9/1286=5, 2.9/1287=4...(6) HB2 LEU 45 - H LYS 44 OK 19 100 - 20 - 4.0/261=12, 4.3/2062=5 HB2 ARG 95 - H LYS 44 lone 6 94 - 7 - 6023/4.6=3, 3.9/1889=2 HB3 LYS 123 - H LYS 44 lone 5 96 - 5 - 2.9/1286=1 HB2 LYS 73 - H LYS 44 lone 5 90 - 5 - HB3 LYS 73 - H LYS 44 lone 5 87 - 5 - HB2 LYS 20 - H LYS 44 lone 4 73 - 5 - 3813/3.6=1 HB3 LYS 20 - H LYS 44 lone 4 73 - 5 - 3813/3.6=1 HB2 GLU 128 - H LYS 44 lone 1 99 - 1 - HB ILE 71 - H LYS 44 lone 1 92 - 1 - HB ILE 15 - H LYS 44 lone 1 94 - 1 - HB3 LYS 17 - H LYS 44 lone 1 73 - 1 - HB2 LEU 81 - H LYS 44 lone 0 84 - 0 - HB ILE 7 - H LYS 44 lone 0 81 - 0 - HB2 LYS 49 - H LYS 44 lone 0 97 - 0 - HG2 MET 121 - H LYS 44 lone 0 90 - 0 - Peak 1286 from nnoeabs.peaks (1.58, 7.45, 118.27 ppm; 3.37 A): 2 out of 12 assignments used, quality = 0.85: * HG2 LYS 44 + H LYS 44 OK 77 100 - 77 - 4.9=32, 1.8/1287=15...(23) HG3 LYS 96 + H LYS 44 OK 37 87 - 43 - 1.8/1287=9, 3930=9...(13) HG2 LYS 123 - H LYS 44 lone 9 97 - 9 - 3904/3.0=2, 1.8/1289=1 HG2 LYS 73 - H LYS 44 poor 8 77 - 10 - 265/4.6=2, 3930=2, 3904/3.0=1 HG LEU 68 - H LYS 44 lone 3 98 - 3 - HB3 LEU 70 - H LYS 44 lone 1 87 - 1 - HG12 ILE 116 - H LYS 44 lone 1 100 - 1 - HD2 LYS 19 - H LYS 44 lone 1 87 - 1 - HD3 LYS 19 - H LYS 44 lone 1 87 - 1 - HG LEU 55 - H LYS 44 lone 1 73 - 1 - HG3 LYS 19 - H LYS 44 lone 0 81 - 1 - HG LEU 82 - H LYS 44 lone 0 73 - 1 - Peak 1287 from nnoeabs.peaks (1.44, 7.45, 118.27 ppm; 3.92 A): 2 out of 13 assignments used, quality = 0.95: * HG3 LYS 44 + H LYS 44 OK 89 100 - 89 - 4.9=51, 1.8/1286=25...(22) HG2 LYS 96 + H LYS 44 OK 55 100 - 55 - 3940=12, 1.8/1286=12...(20) HG2 LYS 39 - H LYS 44 poor 7 61 - 11 - 3.0/3960=2, 3.0/3960=2...(4) HB3 LEU 63 - H LYS 44 lone 4 87 - 4 - 266/4.6=2 HG3 LYS 17 - H LYS 44 lone 2 94 - 2 - HB2 LEU 4 - H LYS 44 lone 2 100 - 2 - HB3 LEU 4 - H LYS 44 lone 2 100 - 2 - HG12 ILE 56 - H LYS 44 lone 1 90 - 1 - HG LEU 4 - H LYS 44 lone 1 84 - 1 - HG LEU 80 - H LYS 44 lone 1 100 - 1 - HG3 ARG 30 - H LYS 44 lone 1 81 - 1 - HB3 LYS 61 - H LYS 44 lone 1 98 - 1 - HB3 GLN 83 - H LYS 44 lone 1 65 - 1 - Peak 1288 from nnoeabs.peaks (1.70, 7.45, 118.27 ppm; 4.02 A): 2 out of 21 assignments used, quality = 0.98: * HD2 LYS 44 + H LYS 44 OK 84 100 - 84 - 6.4=25, 2.9/1286=20...(24) HD3 LYS 44 + H LYS 44 OK 84 100 - 84 - 6.4=25, 2.9/1286=20...(24) HD3 LYS 43 - H LYS 44 OK 37 70 - 53 - 4.8/252=20, 5.9/1888=16...(7) HD3 LYS 96 - H LYS 44 OK 32 65 - 50 - 3.0/1287=10, 3.0/1286=10...(18) HD3 LYS 39 - H LYS 44 OK 15 99 - 15 - 3960=3, 1.8/3960=2...(5) HD2 LYS 39 - H LYS 44 OK 15 99 - 15 - 3960=3, 1.8/3960=2...(5) HG3 LYS 39 - H LYS 44 OK 13 100 - 13 - 3.0/3960=2, 3.0/3960=2...(4) HG3 LYS 123 - H LYS 44 OK 12 100 - 12 - 1.8/1286=3, 3907/3.0=2, ~3904=1 HD2 LYS 73 - H LYS 44 poor 9 73 - 12 - 3.0/1286=2, 268/4.6=1 HD2 LYS 20 - H LYS 44 lone 8 84 - 10 - 3817/3.6=2, 3870/4.6=1 HD3 LYS 73 - H LYS 44 poor 8 70 - 12 - 3.0/1286=2, 3817/3.6=1 HD3 LYS 20 - H LYS 44 lone 8 81 - 10 - 3817/3.6=2, 3870/4.6=1 HD2 LYS 40 - H LYS 44 lone 5 61 - 9 - 2.9/256=5 HD3 LYS 16 - H LYS 44 lone 3 87 - 3 - HD2 LYS 16 - H LYS 44 lone 3 77 - 3 - HG12 ILE 71 - H LYS 44 lone 2 97 - 2 - HB ILE 56 - H LYS 44 lone 1 87 - 1 - HG LEU 74 - H LYS 44 lone 1 100 - 1 - HB3 LYS 106 - H LYS 44 lone 1 81 - 1 - HB ILE 54 - H LYS 44 lone 1 61 - 1 - HB2 LYS 106 - H LYS 44 lone 1 73 - 1 - Peak 1289 from nnoeabs.peaks (1.70, 7.45, 118.27 ppm; 4.02 A): 2 out of 18 assignments used, quality = 0.98: * HD3 LYS 44 + H LYS 44 OK 84 100 - 84 - 6.4=25, 2.9/1286=20...(24) HD2 LYS 44 + H LYS 44 OK 84 100 - 84 - 6.4=25, 2.9/1286=20...(24) HD3 LYS 43 - H LYS 44 OK 33 61 - 53 - 4.8/252=20, 5.9/1888=16...(7) HD3 LYS 39 - H LYS 44 OK 15 100 - 15 - 3960=3, 1.8/3960=2...(5) HD2 LYS 39 - H LYS 44 OK 15 100 - 15 - 3960=3, 1.8/3960=2...(5) HG3 LYS 39 - H LYS 44 OK 13 99 - 13 - 3.0/3960=2, 3.0/3960=2...(4) HG3 LYS 123 - H LYS 44 OK 12 99 - 12 - 1.8/1286=3, 3907/3.0=2, ~3904=1 HD2 LYS 73 - H LYS 44 poor 8 65 - 12 - 3.0/1286=2, 268/4.6=1 HD2 LYS 20 - H LYS 44 lone 7 77 - 9 - 3817/3.6=2, 3870/4.6=1 HD3 LYS 73 - H LYS 44 poor 7 61 - 11 - 3.0/1286=2, 268/4.6=1 HD3 LYS 20 - H LYS 44 lone 7 73 - 9 - 3817/3.6=2, 3870/4.6=1 HD3 LYS 16 - H LYS 44 lone 3 81 - 3 - HD2 LYS 16 - H LYS 44 lone 2 70 - 3 - HG12 ILE 71 - H LYS 44 lone 2 94 - 2 - HB ILE 56 - H LYS 44 lone 1 81 - 1 - HG LEU 74 - H LYS 44 lone 1 100 - 1 - HB3 LYS 106 - H LYS 44 lone 1 87 - 1 - HB2 LYS 106 - H LYS 44 lone 1 81 - 1 - Peak 1290 from nnoeabs.peaks (2.93, 7.45, 118.27 ppm; 6.20 A): 4 out of 9 assignments used, quality = 1.00: HE3 LYS 44 + H LYS 44 OK 96 100 - 96 - 7.0=68, 3.7/3930=30...(16) * HE2 LYS 44 + H LYS 44 OK 96 100 - 96 - 7.0=68, 3.7/3930=30...(16) HE2 LYS 96 + H LYS 44 OK 62 100 - 62 - 3.8/3940=17, 3.8/3930=14...(18) HE3 LYS 96 + H LYS 44 OK 62 100 - 62 - 3.8/3940=17, 3.8/3930=14...(18) HE3 LYS 94 - H LYS 44 poor 9 84 - 11 - 3.8/256=7, 3908/3.0=1 HE2 LYS 65 - H LYS 44 lone 4 81 - 4 - HE3 LYS 65 - H LYS 44 lone 4 81 - 4 - HD3 ARG 30 - H LYS 44 lone 3 100 - 3 - HB2 ASP 86 - H LYS 44 lone 2 100 - 2 - Peak 1291 from nnoeabs.peaks (2.93, 7.45, 118.27 ppm; 6.20 A): 4 out of 9 assignments used, quality = 1.00: * HE3 LYS 44 + H LYS 44 OK 96 100 - 96 - 7.0=68, 3.7/3930=30...(16) HE2 LYS 44 + H LYS 44 OK 96 100 - 96 - 7.0=68, 3.7/3930=30...(16) HE2 LYS 96 + H LYS 44 OK 62 100 - 62 - 3.8/3940=17, 3.8/3930=14...(18) HE3 LYS 96 + H LYS 44 OK 62 100 - 62 - 3.8/3940=17, 3.8/3930=14...(18) HE3 LYS 94 - H LYS 44 poor 9 84 - 11 - 3.8/256=7, 3908/3.0=1 HE2 LYS 65 - H LYS 44 lone 4 81 - 4 - HE3 LYS 65 - H LYS 44 lone 4 81 - 4 - HD3 ARG 30 - H LYS 44 lone 3 100 - 3 - HB2 ASP 86 - H LYS 44 lone 2 100 - 2 - Peak 1292 from nnoeabs.peaks (8.16, 8.16, 117.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 45 + H LEU 45 OK 100 100 - 100 Peak 1293 from nnoeabs.peaks (4.15, 8.16, 117.78 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 45 + H LEU 45 OK 100 100 - 100 - 3.0=100 Peak 1294 from nnoeabs.peaks (1.90, 8.16, 117.78 ppm; 2.72 A): 4 out of 20 assignments used, quality = 0.94: * HB2 LEU 45 + H LEU 45 OK 68 100 - 68 - 4.0=30, 1.8/1295=15...(12) HB3 LYS 44 + H LEU 45 OK 46 100 - 46 - 4.7=20, 4.0/261=12...(8) HB2 LYS 44 + H LEU 45 OK 45 97 - 46 - 4.7=20, 4.0/261=12...(8) HB2 ARG 95 + H LEU 45 OK 32 97 - 33 - 6023=6, 1.8/6031=6...(12) HB2 LYS 43 - H LEU 45 OK 24 100 - 24 - 4.7/261=9, 4.0/11317=5...(7) HB3 LYS 43 - H LEU 45 OK 24 100 - 24 - 4.7/261=9, 4.0/11317=5...(7) HB2 LYS 96 - H LEU 45 OK 17 100 - 17 - 2.9/266=3, 4.1/603=3...(6) HB2 LYS 73 - H LEU 45 OK 12 94 - 13 - 2.9/1295=2, 2.9/265=2 HB3 LYS 73 - H LEU 45 OK 12 92 - 13 - 2.9/1295=2, 2.9/265=2 HB3 LYS 20 - H LEU 45 lone 4 81 - 4 - HB2 LYS 20 - H LEU 45 lone 4 81 - 4 - HB3 LYS 123 - H LEU 45 lone 3 92 - 3 - HB ILE 71 - H LEU 45 lone 2 96 - 2 - HB ILE 7 - H LEU 45 lone 1 87 - 2 - HB2 GLU 128 - H LEU 45 lone 1 100 - 1 - HB ILE 15 - H LEU 45 lone 1 90 - 1 - HG2 MET 121 - H LEU 45 lone 0 84 - 0 - HB2 LEU 81 - H LEU 45 lone 0 77 - 0 - HB2 LYS 49 - H LEU 45 lone 0 99 - 0 - HB3 LYS 17 - H LEU 45 lone 0 65 - 0 - Peak 1295 from nnoeabs.peaks (1.49, 8.16, 117.78 ppm; 3.60 A): 2 out of 8 assignments used, quality = 0.94: * HB3 LEU 45 + H LEU 45 OK 93 100 - 93 - 4.0=71, 3.1/1297=21...(12) HG3 LYS 73 + H LEU 45 OK 18 96 - 19 - 1.8/265=4, 4.9/11318=3...(9) HG3 LYS 20 - H LEU 45 lone 6 92 - 7 - 274/4.6=1 HB3 LEU 14 - H LEU 45 lone 2 87 - 2 - QB ALA 124 - H LEU 45 lone 2 65 - 2 - HG2 ARG 30 - H LEU 45 lone 1 90 - 1 - HG3 ARG 118 - H LEU 45 lone 1 100 - 1 - HD2 LYS 53 - H LEU 45 lone 1 98 - 1 - Peak 1296 from nnoeabs.peaks (1.88, 8.16, 117.78 ppm; 2.85 A): 7 out of 19 assignments used, quality = 0.92: * HG LEU 45 + H LEU 45 OK 71 100 - 71 - 5.0=19, 2.1/1297=17...(11) HG2 ARG 95 + H LEU 45 OK 35 98 - 36 - 6039=7, 3.0/6023=6...(10) HB2 ARG 95 + H LEU 45 OK 26 77 - 34 - 1.8/6031=7, 3.0/6039=6...(13) HB3 LYS 43 + H LEU 45 OK 15 61 - 24 - 4.7/261=10, 4.0/11317=6...(4) HB3 LYS 73 + H LEU 45 OK 12 87 - 14 - 2.9/1295=3, 2.9/265=2...(4) HB2 LYS 73 + H LEU 45 OK 11 84 - 13 - 2.9/1295=3, 2.9/265=2...(4) HB2 LYS 96 + H LEU 45 OK 10 61 - 17 - 2.9/266=4, 4.1/603=4...(4) QE MET 42 - H LEU 45 lone 7 73 - 9 - 5.4/2065=5, 9431/4.7=2 HB2 LEU 63 - H LEU 45 lone 7 90 - 7 - 3.1/1297=2, 1.8/266=1 HB3 LYS 20 - H LEU 45 lone 5 96 - 5 - HB2 LYS 20 - H LEU 45 lone 5 96 - 5 - QE MET 67 - H LEU 45 lone 3 100 - 3 - HB ILE 7 - H LEU 45 lone 2 92 - 2 - HB ILE 71 - H LEU 45 lone 2 81 - 2 - HB2 LYS 16 - H LEU 45 lone 1 100 - 1 - HB3 LYS 16 - H LEU 45 lone 1 100 - 1 - HB2 GLU 128 - H LEU 45 lone 1 61 - 1 - HB3 ARG 118 - H LEU 45 lone 0 90 - 1 - HB2 LYS 49 - H LEU 45 lone 0 70 - 0 - Peak 1297 from nnoeabs.peaks (0.75, 8.16, 117.78 ppm; 3.51 A): 2 out of 11 assignments used, quality = 0.91: * QD1 LEU 45 + H LEU 45 OK 89 100 - 89 - 4.7=42, 2.1/1298=26...(14) QD1 LEU 63 + H LEU 45 OK 11 84 - 13 - 2.1/1298=2, 3995/3.0=2...(5) QG2 VAL 32 - H LEU 45 lone 4 94 - 4 - QD1 ILE 7 - H LEU 45 lone 2 84 - 2 - QG2 ILE 7 - H LEU 45 lone 2 92 - 2 - QG2 ILE 54 - H LEU 45 lone 2 96 - 2 - QD2 LEU 14 - H LEU 45 lone 1 94 - 1 - QD1 ILE 15 - H LEU 45 lone 1 92 - 1 - QD2 LEU 6 - H LEU 45 lone 1 61 - 2 - QG1 VAL 107 - H LEU 45 lone 1 94 - 1 - QD2 LEU 55 - H LEU 45 lone 1 65 - 1 - Peak 1298 from nnoeabs.peaks (0.72, 8.16, 117.78 ppm; 3.50 A): 1 out of 13 assignments used, quality = 0.88: * QD2 LEU 45 + H LEU 45 OK 88 100 - 88 - 4.7=42, 2.1/1297=26...(13) QD2 LEU 63 - H LEU 45 poor 8 73 - 11 - 2.1/1297=3, 3996/3.0=2...(4) QD1 LEU 63 - H LEU 45 lone 6 73 - 8 - 3.1/266=2, 3996/3.0=1...(4) QG2 VAL 78 - H LEU 45 lone 4 100 - 4 - 11291/4.0=1 QD1 LEU 6 - H LEU 45 lone 2 92 - 2 - QG2 ILE 7 - H LEU 45 lone 1 61 - 2 - QD2 LEU 6 - H LEU 45 lone 1 92 - 1 - QD2 LEU 55 - H LEU 45 lone 1 90 - 1 - QG2 ILE 18 - H LEU 45 lone 1 97 - 1 - HG13 ILE 18 - H LEU 45 lone 1 99 - 1 - QG1 VAL 117 - H LEU 45 lone 1 99 - 1 - QD1 ILE 57 - H LEU 45 lone 1 65 - 1 - QD2 LEU 81 - H LEU 45 lone 0 61 - 1 - Peak 1299 from nnoeabs.peaks (7.64, 7.64, 118.54 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ALA 46 + H ALA 46 OK 100 100 - 100 H GLU 69 + H GLU 69 OK 61 61 - 100 Peak 1300 from nnoeabs.peaks (4.25, 7.64, 118.54 ppm; 3.31 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 46 + H ALA 46 OK 100 100 - 100 - 3.0=100 Peak 1301 from nnoeabs.peaks (1.55, 7.64, 118.54 ppm; 2.71 A): 1 out of 20 assignments used, quality = 0.85: * QB ALA 46 + H ALA 46 OK 85 100 - 85 - 2.9=82, 3.7/278=9...(4) QB ALA 46 - H GLU 69 lone 5 72 - 7 - 3.7/278=4, 9459/4.0=1 HG2 LYS 65 - H GLU 69 lone 4 72 - 6 - 3.9/8129=3 HD2 LYS 94 - H ALA 46 lone 2 84 - 2 - HD3 LYS 94 - H ALA 46 lone 2 84 - 2 - HB VAL 78 - H GLU 69 lone 1 66 - 2 - 11290/4.9=2 HG2 LYS 65 - H ALA 46 lone 1 100 - 1 - HG2 LYS 115 - H GLU 69 lone 1 58 - 2 - HB VAL 78 - H ALA 46 lone 1 97 - 1 - HD2 LYS 94 - H GLU 69 lone 1 53 - 1 - HD3 LYS 94 - H GLU 69 lone 1 53 - 1 - HG2 LYS 115 - H ALA 46 lone 1 90 - 1 - HD2 LYS 106 - H ALA 46 lone 0 90 - 0 - HD3 LYS 106 - H ALA 46 lone 0 87 - 0 - HG12 ILE 3 - H ALA 46 lone 0 90 - 0 - HG LEU 55 - H ALA 46 lone 0 73 - 0 - HD2 LYS 106 - H GLU 69 lone 0 58 - 0 - HD3 LYS 106 - H GLU 69 lone 0 56 - 0 - HG12 ILE 3 - H GLU 69 lone 0 58 - 0 - HG LEU 55 - H GLU 69 lone 0 45 - 0 - Peak 1302 from nnoeabs.peaks (7.71, 7.71, 115.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 47 + H GLU 47 OK 100 100 - 100 Peak 1303 from nnoeabs.peaks (4.25, 7.71, 115.49 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 47 + H GLU 47 OK 100 100 - 100 - 3.0=100 Peak 1304 from nnoeabs.peaks (2.06, 7.71, 115.49 ppm; 3.20 A): 4 out of 19 assignments used, quality = 0.87: * HB2 GLU 47 + H GLU 47 OK 81 100 - 81 - 4.0=51, 1.8/4050=23...(8) HB2 GLU 48 + H GLU 47 OK 14 73 - 20 - 4.1/1892=19 HB3 GLU 48 + H GLU 47 OK 14 73 - 20 - 4.1/1892=19 HB3 GLU 87 + H GLU 47 OK 10 73 - 14 - 3.0/1306=4, 3.0/1306=4...(5) HB3 GLU 91 - H GLU 47 lone 4 84 - 5 - 3.0/2074=2 HB2 LYS 94 - H GLU 47 lone 4 81 - 5 - 4.4/2073=2 HB3 MET 67 - H GLU 47 lone 4 97 - 4 - 3.0/8138=2, 4.6/2104=1 HB2 GLU 92 - H GLU 47 lone 3 100 - 3 - HB2 GLU 66 - H GLU 47 lone 2 73 - 2 - HB2 GLU 89 - H GLU 47 lone 1 73 - 2 - HB3 GLU 89 - H GLU 47 lone 1 73 - 2 - HB3 GLN 100 - H GLU 47 lone 1 96 - 1 - HB3 GLU 98 - H GLU 47 lone 1 100 - 1 - HB2 GLN 28 - H GLU 47 lone 1 98 - 1 - HB2 GLU 13 - H GLU 47 lone 1 96 - 1 - HB VAL 117 - H GLU 47 lone 0 94 - 0 - HB3 PHE 79 - H GLU 47 lone 0 61 - 1 - HB3 GLN 85 - H GLU 47 lone 0 73 - 1 - HG3 GLU 52 - H GLU 47 lone 0 87 - 0 - Peak 1305 from nnoeabs.peaks (2.11, 7.71, 115.49 ppm; 3.53 A): 2 out of 15 assignments used, quality = 0.91: * HB3 GLU 47 + H GLU 47 OK 90 100 - 90 - 4.0=68, 3.0/1307=27...(8) HB2 GLU 87 + H GLU 47 OK 13 73 - 18 - 3.0/1306=4, 3.0/1306=4...(5) HB2 GLU 91 - H GLU 47 lone 4 77 - 5 - 3.0/2074=2, 1.8/1304=1 HB3 GLU 92 - H GLU 47 lone 3 100 - 3 - HB2 GLU 111 - H GLU 47 lone 3 90 - 4 - 284/4.6=1 HB3 GLU 66 - H GLU 47 lone 2 70 - 2 - HB2 LEU 38 - H GLU 47 lone 1 99 - 1 - HB VAL 107 - H GLU 47 lone 1 98 - 1 - HB3 GLU 119 - H GLU 47 lone 1 99 - 1 - HB2 GLU 119 - H GLU 47 lone 1 97 - 1 - HG2 GLU 21 - H GLU 47 lone 1 99 - 1 - HG3 GLU 21 - H GLU 47 lone 1 98 - 1 - HG2 GLU 52 - H GLU 47 lone 1 92 - 1 - HB2 GLU 21 - H GLU 47 lone 1 98 - 1 - HG3 GLN 83 - H GLU 47 lone 0 97 - 1 - Peak 1306 from nnoeabs.peaks (2.29, 7.71, 115.49 ppm; 3.84 A): 3 out of 8 assignments used, quality = 0.94: * HG2 GLU 47 + H GLU 47 OK 88 100 - 88 - 5.2=41, 1.8/1307=41...(8) HG3 GLU 87 + H GLU 47 OK 29 100 - 29 - 4056=7, 1.8/4056=5...(9) HG2 GLU 87 + H GLU 47 OK 29 100 - 29 - 4056=7, 1.8/4056=5...(9) HG3 GLU 91 - H GLU 47 lone 5 96 - 5 - 4.2/2074=2, 3.0/1305=1 HG2 GLU 111 - H GLU 47 lone 5 96 - 5 - HG3 GLU 89 - H GLU 47 lone 3 73 - 4 - HB2 MET 121 - H GLU 47 lone 1 99 - 1 - HG3 GLU 13 - H GLU 47 lone 1 77 - 1 - Peak 1307 from nnoeabs.peaks (2.50, 7.71, 115.49 ppm; 3.55 A): 1 out of 2 assignments used, quality = 0.82: * HG3 GLU 47 + H GLU 47 OK 82 100 - 82 - 4062=34, 3.0/4050=21...(9) HG3 GLN 25 - H GLU 47 lone 0 65 - 0 - Peak 1308 from nnoeabs.peaks (7.75, 7.75, 120.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 48 + H GLU 48 OK 100 100 - 100 Peak 1309 from nnoeabs.peaks (4.37, 7.75, 120.57 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 48 + H GLU 48 OK 100 100 - 100 - 3.0=100 Peak 1310 from nnoeabs.peaks (2.04, 7.75, 120.57 ppm; 3.57 A): 3 out of 17 assignments used, quality = 0.98: * HB2 GLU 48 + H GLU 48 OK 77 100 - 78 - 4.1=68, 3.0/4086=17, 3.0/1313=14 HB3 GLU 48 + H GLU 48 OK 77 100 - 78 - 4.1=68, 3.0/4086=17, 3.0/1313=14 HB2 GLU 47 + H GLU 48 OK 52 73 - 70 - 4.6=46, 1.8/7529=26, 4.0/281=25 HB3 GLU 111 - H GLU 48 lone 5 70 - 7 - 3.0/8237=3, 1.8/284=2 HB2 GLU 92 - H GLU 48 lone 2 84 - 3 - 1.8/284=1 HB3 GLU 87 - H GLU 48 lone 2 100 - 2 - HB VAL 117 - H GLU 48 lone 1 97 - 1 - HB2 GLU 89 - H GLU 48 lone 1 100 - 1 - HB3 GLU 89 - H GLU 48 lone 1 100 - 1 - HB2 GLU 66 - H GLU 48 lone 1 100 - 1 - HB3 MET 67 - H GLU 48 lone 1 94 - 1 - HB3 GLN 100 - H GLU 48 lone 1 96 - 1 - HG3 GLU 52 - H GLU 48 lone 1 99 - 1 - HB3 GLN 85 - H GLU 48 lone 1 100 - 1 - HB3 GLU 98 - H GLU 48 lone 0 84 - 0 - HB2 MET 1 - H GLU 48 lone 0 92 - 0 - HB2 GLN 25 - H GLU 48 lone 0 61 - 0 - Peak 1311 from nnoeabs.peaks (2.04, 7.75, 120.57 ppm; 3.57 A): 3 out of 17 assignments used, quality = 0.98: HB2 GLU 48 + H GLU 48 OK 77 100 - 78 - 4.1=68, 3.0/4086=17, 3.0/1313=14 * HB3 GLU 48 + H GLU 48 OK 77 100 - 78 - 4.1=68, 3.0/4086=17, 3.0/1313=14 HB2 GLU 47 + H GLU 48 OK 52 73 - 70 - 4.6=46, 1.8/7529=26, 4.0/281=25 HB3 GLU 111 - H GLU 48 lone 5 70 - 7 - 3.0/8237=3, 1.8/284=2 HB2 GLU 92 - H GLU 48 lone 2 84 - 3 - 1.8/284=1 HB3 GLU 87 - H GLU 48 lone 2 100 - 2 - HB VAL 117 - H GLU 48 lone 1 97 - 1 - HB2 GLU 89 - H GLU 48 lone 1 100 - 1 - HB3 GLU 89 - H GLU 48 lone 1 100 - 1 - HB2 GLU 66 - H GLU 48 lone 1 100 - 1 - HB3 MET 67 - H GLU 48 lone 1 94 - 1 - HB3 GLN 100 - H GLU 48 lone 1 96 - 1 - HG3 GLU 52 - H GLU 48 lone 1 99 - 1 - HB3 GLN 85 - H GLU 48 lone 1 100 - 1 - HB3 GLU 98 - H GLU 48 lone 0 84 - 0 - HB2 MET 1 - H GLU 48 lone 0 92 - 0 - HB2 GLN 25 - H GLU 48 lone 0 61 - 0 - Peak 1312 from nnoeabs.peaks (2.20, 7.75, 120.57 ppm; 5.13 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 48 + H GLU 48 OK 100 100 - 100 - 5.1=100 Peak 1313 from nnoeabs.peaks (2.32, 7.75, 120.57 ppm; 4.94 A): 1 out of 8 assignments used, quality = 0.96: * HG3 GLU 48 + H GLU 48 OK 96 100 - 96 - 5.1=89, 1.8/4086=40...(5) HG2 GLU 92 - H GLU 48 lone 6 100 - 6 - 4092=2, 3.0/284=1 HG3 GLU 89 - H GLU 48 lone 4 96 - 4 - 4092=1 HG2 GLU 112 - H GLU 48 lone 3 65 - 5 - 4.9/2184=3 HG3 GLU 112 - H GLU 48 lone 3 61 - 5 - 4.9/2184=3 HG3 GLU 13 - H GLU 48 lone 2 94 - 2 - HG3 GLU 103 - H GLU 48 lone 2 99 - 2 - HG2 GLN 83 - H GLU 48 lone 1 70 - 1 - Peak 1314 from nnoeabs.peaks (8.61, 8.61, 124.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + H LYS 49 OK 100 100 - 100 Peak 1315 from nnoeabs.peaks (4.32, 8.61, 124.42 ppm; 4.92 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 49 + H LYS 49 OK 100 100 - 100 - 2.9=100 Peak 1316 from nnoeabs.peaks (1.90, 8.61, 124.42 ppm; 4.73 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 49 + H LYS 49 OK 100 100 - 100 - 4.0=100 Peak 1317 from nnoeabs.peaks (1.75, 8.61, 124.42 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 49 + H LYS 49 OK 100 100 - 100 - 4.0=100 Peak 1318 from nnoeabs.peaks (1.46, 8.61, 124.42 ppm; 4.43 A): 2 out of 14 assignments used, quality = 1.00: HG3 LYS 49 + H LYS 49 OK 97 100 - 97 - 4.8=78, 3.0/4118=30...(18) * HG2 LYS 49 + H LYS 49 OK 97 100 - 97 - 4.8=78, 3.0/4118=30...(18) HB3 LEU 6 - H LYS 49 lone 3 100 - 3 - 3.1/11561=1 HG12 ILE 7 - H LYS 49 lone 2 100 - 2 - HB2 LEU 74 - H LYS 49 lone 2 96 - 2 - HB3 LEU 38 - H LYS 49 lone 1 100 - 1 - HG2 LYS 39 - H LYS 49 lone 1 100 - 1 - HG3 ARG 30 - H LYS 49 lone 1 98 - 1 - HG2 LYS 106 - H LYS 49 lone 1 100 - 1 - HG12 ILE 57 - H LYS 49 lone 1 100 - 1 - HG2 LYS 96 - H LYS 49 lone 1 65 - 2 - HG LEU 4 - H LYS 49 lone 1 97 - 1 - HG LEU 80 - H LYS 49 lone 1 70 - 1 - HG3 LYS 20 - H LYS 49 lone 1 65 - 1 - Peak 1319 from nnoeabs.peaks (1.46, 8.61, 124.42 ppm; 4.43 A): 2 out of 14 assignments used, quality = 1.00: * HG3 LYS 49 + H LYS 49 OK 97 100 - 97 - 4.8=78, 3.0/4118=30...(18) HG2 LYS 49 + H LYS 49 OK 97 100 - 97 - 4.8=78, 3.0/4118=30...(18) HB3 LEU 6 - H LYS 49 lone 3 100 - 3 - 3.1/11561=1 HG12 ILE 7 - H LYS 49 lone 2 100 - 2 - HB2 LEU 74 - H LYS 49 lone 2 96 - 2 - HB3 LEU 38 - H LYS 49 lone 1 100 - 1 - HG2 LYS 39 - H LYS 49 lone 1 100 - 1 - HG3 ARG 30 - H LYS 49 lone 1 98 - 1 - HG2 LYS 106 - H LYS 49 lone 1 100 - 1 - HG12 ILE 57 - H LYS 49 lone 1 100 - 1 - HG2 LYS 96 - H LYS 49 lone 1 65 - 2 - HG LEU 4 - H LYS 49 lone 1 97 - 1 - HG LEU 80 - H LYS 49 lone 1 70 - 1 - HG3 LYS 20 - H LYS 49 lone 1 65 - 1 - Peak 1324 from nnoeabs.peaks (8.72, 8.72, 117.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 50 + H ASN 50 OK 100 100 - 100 Peak 1325 from nnoeabs.peaks (4.62, 8.72, 117.99 ppm; 5.00 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 50 + H ASN 50 OK 100 100 - 100 - 2.9=100 Peak 1326 from nnoeabs.peaks (2.71, 8.72, 117.99 ppm; 4.10 A): 2 out of 2 assignments used, quality = 1.00: * HB2 ASN 50 + H ASN 50 OK 100 100 - 100 - 4.0=100 HB3 ASN 50 + H ASN 50 OK 100 100 - 100 - 4.0=100 Peak 1327 from nnoeabs.peaks (2.71, 8.72, 117.99 ppm; 4.10 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ASN 50 + H ASN 50 OK 100 100 - 100 - 4.0=100 HB2 ASN 50 + H ASN 50 OK 100 100 - 100 - 4.0=100 Peak 1330 from nnoeabs.peaks (8.34, 8.34, 120.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H PHE 51 + H PHE 51 OK 100 100 - 100 Peak 1331 from nnoeabs.peaks (4.76, 8.34, 120.70 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 51 + H PHE 51 OK 100 100 - 100 - 2.9=100 Peak 1332 from nnoeabs.peaks (3.03, 8.34, 120.70 ppm; 3.73 A): 1 out of 8 assignments used, quality = 0.86: * HB2 PHE 51 + H PHE 51 OK 86 100 - 86 - 4.0=78, 1.8/1333=35 HB2 ASN 11 - H PHE 51 lone 0 100 - 0 - HE2 LYS 94 - H PHE 51 lone 0 96 - 0 - HB3 PHE 93 - H PHE 51 lone 0 94 - 0 - HE2 LYS 49 - H PHE 51 lone 0 87 - 0 - HE3 LYS 49 - H PHE 51 lone 0 87 - 0 - HE2 LYS 123 - H PHE 51 lone 0 81 - 0 - HE3 LYS 123 - H PHE 51 lone 0 65 - 0 - Peak 1333 from nnoeabs.peaks (2.97, 8.34, 120.70 ppm; 3.74 A): 1 out of 16 assignments used, quality = 0.87: * HB3 PHE 51 + H PHE 51 OK 87 100 - 87 - 4.0=79, 1.8/1332=36 HB3 ASN 24 - H PHE 51 lone 0 100 - 0 - HB2 ASN 24 - H PHE 51 lone 0 100 - 0 - HE2 LYS 20 - H PHE 51 lone 0 100 - 0 - HE3 LYS 20 - H PHE 51 lone 0 100 - 0 - HE3 LYS 40 - H PHE 51 lone 0 100 - 0 - HE2 LYS 40 - H PHE 51 lone 0 100 - 0 - HD3 ARG 118 - H PHE 51 lone 0 99 - 0 - HE3 LYS 43 - H PHE 51 lone 0 94 - 0 - HE3 LYS 73 - H PHE 51 lone 0 90 - 0 - HE3 LYS 106 - H PHE 51 lone 0 84 - 0 - HE2 LYS 39 - H PHE 51 lone 0 84 - 0 - HE2 LYS 106 - H PHE 51 lone 0 81 - 0 - HE2 LYS 43 - H PHE 51 lone 0 81 - 0 - HE3 LYS 39 - H PHE 51 lone 0 77 - 0 - HE2 LYS 73 - H PHE 51 lone 0 73 - 0 - Peak 1338 from nnoeabs.peaks (7.96, 7.96, 119.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 53 + H LYS 53 OK 100 100 - 100 Peak 1339 from nnoeabs.peaks (4.69, 7.96, 119.96 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 53 + H LYS 53 OK 100 100 - 100 - 2.9=100 Peak 1340 from nnoeabs.peaks (0.11, 7.96, 119.96 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 53 + H LYS 53 OK 100 100 - 100 - 4.0=100 Peak 1341 from nnoeabs.peaks (1.13, 7.96, 119.96 ppm; 3.97 A): 1 out of 1 assignment used, quality = 0.99: * HB3 LYS 53 + H LYS 53 OK 99 100 - 99 - 4.0=99 Peak 1342 from nnoeabs.peaks (1.09, 7.96, 119.96 ppm; 3.99 A): 2 out of 5 assignments used, quality = 0.89: * HG2 LYS 53 + H LYS 53 OK 84 100 - 84 - 4.7=62, 1.8/1343=31...(5) QG2 ILE 3 + H LYS 53 OK 33 92 - 35 - 2.1/9464=14, ~9001=9...(4) HG2 LYS 19 - H LYS 53 lone 1 90 - 1 - HD3 LYS 61 - H LYS 53 lone 1 94 - 1 - HG2 LYS 2 - H LYS 53 lone 1 61 - 1 - Peak 1343 from nnoeabs.peaks (0.94, 7.96, 119.96 ppm; 4.32 A): 1 out of 4 assignments used, quality = 0.92: * HG3 LYS 53 + H LYS 53 OK 92 100 - 92 - 4.7=78, 2.8/1341=35...(4) QG1 VAL 104 - H LYS 53 lone 4 98 - 4 - 319/4.6=2 HG13 ILE 97 - H LYS 53 lone 2 92 - 2 - QD2 LEU 127 - H LYS 53 lone 1 99 - 1 - Peak 1345 from nnoeabs.peaks (1.27, 7.96, 119.96 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 53 + H LYS 53 OK 100 100 - 100 - 6.2=100 Peak 1348 from nnoeabs.peaks (8.80, 8.80, 124.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 54 + H ILE 54 OK 100 100 - 100 Peak 1349 from nnoeabs.peaks (4.85, 8.80, 124.73 ppm; 4.29 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 54 + H ILE 54 OK 100 100 - 100 - 3.0=100 Peak 1350 from nnoeabs.peaks (1.68, 8.80, 124.73 ppm; 3.61 A): 1 out of 20 assignments used, quality = 0.91: * HB ILE 54 + H ILE 54 OK 91 100 - 91 - 3.9=81, 3.0/1353=22...(9) HB ILE 56 - H ILE 54 lone 6 97 - 6 - 4406/4.8=2, 2.1/11714=1 HD2 LYS 17 - H ILE 54 lone 2 100 - 2 - HD3 LYS 20 - H ILE 54 lone 1 99 - 1 - HD2 LYS 20 - H ILE 54 lone 1 98 - 1 - HG12 ILE 71 - H ILE 54 lone 1 87 - 1 - HD2 LYS 16 - H ILE 54 lone 1 99 - 1 - HD3 LYS 16 - H ILE 54 lone 1 97 - 1 - HD2 LYS 96 - H ILE 54 lone 1 100 - 1 - HD3 LYS 96 - H ILE 54 lone 1 100 - 1 - HD3 LYS 73 - H ILE 54 lone 1 100 - 1 - HD2 LYS 73 - H ILE 54 lone 1 100 - 1 - HD2 LYS 40 - H ILE 54 lone 1 100 - 1 - HD3 LYS 40 - H ILE 54 lone 1 100 - 1 - HG3 ARG 95 - H ILE 54 lone 1 98 - 1 - HD2 LYS 43 - H ILE 54 lone 1 100 - 1 - HD3 LYS 43 - H ILE 54 lone 1 100 - 1 - HG3 LYS 39 - H ILE 54 lone 0 70 - 1 - HG3 LYS 123 - H ILE 54 lone 0 70 - 0 - HD2 LYS 44 - H ILE 54 lone 0 61 - 1 - Peak 1351 from nnoeabs.peaks (0.75, 8.80, 124.73 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 54 + H ILE 54 OK 100 100 - 100 - 4.0=100 Peak 1352 from nnoeabs.peaks (1.25, 8.80, 124.73 ppm; 4.28 A): 1 out of 6 assignments used, quality = 0.96: * HG12 ILE 54 + H ILE 54 OK 96 100 - 96 - 4.6=82, 1.8/1353=37...(9) HD3 LYS 53 - H ILE 54 OK 35 61 - 58 - 3.0/319=28, 5.2/315=22...(6) HG13 ILE 7 - H ILE 54 lone 8 99 - 8 - 3.2/9088=3, 3.0/9089=2...(4) HD2 LYS 2 - H ILE 54 lone 3 87 - 3 - QG2 THR 108 - H ILE 54 lone 1 100 - 1 - HG3 LYS 61 - H ILE 54 lone 1 96 - 1 - Peak 1353 from nnoeabs.peaks (0.91, 8.80, 124.73 ppm; 4.07 A): 1 out of 7 assignments used, quality = 0.89: * HG13 ILE 54 + H ILE 54 OK 89 100 - 89 - 4.6=70, 3.0/1350=28...(6) QG1 VAL 104 - H ILE 54 lone 3 65 - 5 - 4.2/1948=3 HG13 ILE 97 - H ILE 54 lone 2 81 - 3 - QG2 VAL 29 - H ILE 54 lone 2 77 - 2 - 11140/4.4=2 QD1 LEU 90 - H ILE 54 lone 1 96 - 1 - QD1 LEU 70 - H ILE 54 lone 1 99 - 1 - QD2 LEU 70 - H ILE 54 lone 1 96 - 1 - Peak 1354 from nnoeabs.peaks (0.64, 8.80, 124.73 ppm; 3.96 A): 2 out of 6 assignments used, quality = 0.96: * QD1 ILE 54 + H ILE 54 OK 90 100 - 90 - 4.8=55, 2.1/1353=31...(10) QD1 LEU 4 + H ILE 54 OK 65 97 - 67 - 3.8/9485=22...(12) QD1 ILE 5 - H ILE 54 OK 28 90 - 31 - 4404=8, 7568/4.4=6...(11) QG1 VAL 22 - H ILE 54 OK 11 100 - 11 - 330/4.4=3, 10851/9481=2...(4) HG13 ILE 15 - H ILE 54 lone 5 100 - 5 - 10800/4.6=2 QD1 ILE 71 - H ILE 54 lone 1 61 - 2 - Peak 1355 from nnoeabs.peaks (9.10, 9.10, 130.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 55 + H LEU 55 OK 100 100 - 100 Peak 1356 from nnoeabs.peaks (5.64, 9.10, 130.09 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 55 + H LEU 55 OK 100 100 - 100 - 3.0=100 Peak 1357 from nnoeabs.peaks (1.76, 9.10, 130.09 ppm; 3.72 A): 1 out of 10 assignments used, quality = 0.92: * HB2 LEU 55 + H LEU 55 OK 92 100 - 92 - 3.9=85, 4.6/1898=15...(10) HG12 ILE 18 - H LEU 55 lone 6 99 - 6 - 1.8/1361=2, 11710/4.7=1 HG3 ARG 105 - H LEU 55 lone 3 94 - 3 - 7844/4.4=2 HB2 LEU 80 - H LEU 55 lone 3 96 - 3 - 11383/11140=2 HB2 LEU 90 - H LEU 55 lone 3 77 - 3 - 3.1/11140=2 HG2 LYS 17 - H LEU 55 lone 1 98 - 2 - HB VAL 32 - H LEU 55 lone 1 77 - 2 - HD3 LYS 123 - H LEU 55 lone 1 84 - 1 - HB3 LYS 49 - H LEU 55 lone 0 98 - 0 - HB2 LEU 68 - H LEU 55 lone 0 81 - 1 - Peak 1358 from nnoeabs.peaks (1.32, 9.10, 130.09 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 55 + H LEU 55 OK 100 100 - 100 - 3.9=100 Peak 1359 from nnoeabs.peaks (1.57, 9.10, 130.09 ppm; 5.39 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 55 + H LEU 55 OK 100 100 - 100 - 5.2=100 Peak 1360 from nnoeabs.peaks (0.68, 9.10, 130.09 ppm; 4.33 A): 2 out of 6 assignments used, quality = 0.96: * QD1 LEU 55 + H LEU 55 OK 93 100 - 93 - 4.7=80, 3.1/1357=29...(8) QG2 ILE 56 + H LEU 55 OK 50 92 - 54 - 4.0/1898=25, 3.2/9506=22...(5) QD2 LEU 4 - H LEU 55 OK 27 98 - 28 - 11714/4.4=12...(4) QG2 ILE 97 - H LEU 55 lone 3 100 - 3 - QD2 LEU 114 - H LEU 55 lone 2 81 - 3 - QD1 ILE 116 - H LEU 55 lone 2 99 - 2 - Peak 1361 from nnoeabs.peaks (0.74, 9.10, 130.09 ppm; 3.41 A): 3 out of 11 assignments used, quality = 0.90: * QD2 LEU 55 + H LEU 55 OK 68 100 - 68 - 4.7=39, 3.1/1357=19...(7) QG2 ILE 54 + H LEU 55 OK 65 92 - 71 - 4.4=47, 3.2/325=20...(8) QD2 LEU 6 + H LEU 55 OK 14 100 - 14 - 11559/4.5=9, 4417/3.0=2 HG13 ILE 18 - H LEU 55 lone 6 97 - 7 - 1.8/1357=2, 11709/4.7=1 QD1 LEU 63 - H LEU 55 lone 6 99 - 6 - 11559/4.5=4 QG2 ILE 7 - H LEU 55 lone 6 96 - 6 - 11076/3.9=2, 337/4.5=1 QG2 ILE 18 - H LEU 55 lone 3 65 - 4 - 3.2/1357=1 QG2 VAL 78 - H LEU 55 lone 2 90 - 2 - QG1 VAL 117 - H LEU 55 lone 2 77 - 2 - QD2 LEU 45 - H LEU 55 lone 1 90 - 1 - QD1 LEU 45 - H LEU 55 lone 0 65 - 1 - Peak 1362 from nnoeabs.peaks (9.18, 9.18, 125.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 56 + H ILE 56 OK 100 100 - 100 Peak 1363 from nnoeabs.peaks (5.06, 9.18, 125.98 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 56 + H ILE 56 OK 100 100 - 100 - 3.0=100 Peak 1364 from nnoeabs.peaks (1.69, 9.18, 125.98 ppm; 3.46 A): 2 out of 24 assignments used, quality = 0.91: * HB ILE 56 + H ILE 56 OK 86 100 - 86 - 4.0=67, 3.2/1368=18...(9) HB ILE 54 + H ILE 56 OK 34 97 - 36 - 2.1/11355=14...(5) HD2 LYS 17 - H ILE 56 lone 6 96 - 6 - 10919/4.9=3, 3.0/1366=1 HG12 ILE 71 - H ILE 56 lone 5 99 - 5 - 2.1/1368=3, ~4459=1 HD3 LYS 96 - H ILE 56 lone 2 98 - 2 - HD2 LYS 96 - H ILE 56 lone 2 96 - 2 - HD3 LYS 20 - H ILE 56 lone 1 100 - 1 - HD2 LYS 20 - H ILE 56 lone 1 100 - 1 - HD3 LYS 43 - H ILE 56 lone 1 99 - 1 - HD2 LYS 43 - H ILE 56 lone 1 92 - 1 - HD2 LYS 44 - H ILE 56 lone 1 87 - 1 - HD3 LYS 73 - H ILE 56 lone 1 99 - 1 - HD2 LYS 73 - H ILE 56 lone 1 99 - 1 - HD3 LYS 44 - H ILE 56 lone 1 81 - 1 - HG3 LYS 123 - H ILE 56 lone 1 92 - 1 - HD2 LYS 16 - H ILE 56 lone 1 100 - 1 - HD3 LYS 16 - H ILE 56 lone 1 100 - 1 - HG3 ARG 95 - H ILE 56 lone 0 84 - 1 - HD2 LYS 40 - H ILE 56 lone 0 97 - 0 - HD3 LYS 40 - H ILE 56 lone 0 96 - 0 - HG3 LYS 39 - H ILE 56 lone 0 92 - 0 - HG LEU 74 - H ILE 56 lone 0 77 - 0 - HD3 LYS 39 - H ILE 56 lone 0 73 - 0 - HD2 LYS 39 - H ILE 56 lone 0 70 - 0 - Peak 1365 from nnoeabs.peaks (0.69, 9.18, 125.98 ppm; 3.21 A): 3 out of 8 assignments used, quality = 0.94: * QG2 ILE 56 + H ILE 56 OK 75 100 - 75 - 4.0=52, 2.1/1364=17...(7) QD1 LEU 55 + H ILE 56 OK 67 92 - 73 - 4.6=34, 2.1/335=19...(11) QD1 ILE 57 + H ILE 56 OK 26 84 - 32 - ~9575=6, 9572/3.0=5...(9) QD2 LEU 63 - H ILE 56 poor 8 77 - 11 - 2.1/11559=5, 4477/4.6=2...(4) QD2 LEU 4 - H ILE 56 poor 8 73 - 11 - 7573=2, 3.1/1366=2...(4) QD2 LEU 81 - H ILE 56 lone 2 87 - 3 - 341/4.6=1 QG2 ILE 97 - H ILE 56 lone 1 87 - 1 - QD1 ILE 116 - H ILE 56 lone 1 81 - 1 - Peak 1366 from nnoeabs.peaks (1.43, 9.18, 125.98 ppm; 3.84 A): 4 out of 11 assignments used, quality = 0.91: * HG12 ILE 56 + H ILE 56 OK 86 100 - 86 - 4.6=58, 2.1/1368=29...(9) HB2 LEU 4 + H ILE 56 OK 14 92 - 15 - 4.4/9529=7, 3.1/7573=3 HB3 LEU 4 + H ILE 56 OK 14 92 - 15 - 4.4/9529=7, 3.1/7573=3 HB3 LEU 63 + H ILE 56 OK 13 100 - 13 - 3.1/11559=6, 11261/4.6=6 HG3 LYS 17 - H ILE 56 lone 7 100 - 7 - 10918/4.9=4, 3.0/1364=1 HG2 LYS 96 - H ILE 56 lone 2 84 - 2 - 1.8/335=1 QB ALA 113 - H ILE 56 lone 2 70 - 3 - HB3 GLN 83 - H ILE 56 lone 2 97 - 2 - HG3 LYS 44 - H ILE 56 lone 1 90 - 1 - HB3 LYS 61 - H ILE 56 lone 1 99 - 1 - HG LEU 80 - H ILE 56 lone 1 81 - 1 - Peak 1367 from nnoeabs.peaks (0.96, 9.18, 125.98 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 56 + H ILE 56 OK 100 100 - 100 - 4.6=100 Peak 1368 from nnoeabs.peaks (0.66, 9.18, 125.98 ppm; 3.35 A): 1 out of 6 assignments used, quality = 0.74: * QD1 ILE 56 + H ILE 56 OK 74 100 - 74 - 4.9=32, 4473/4.0=20...(9) QD1 ILE 71 - H ILE 56 lone 9 97 - 9 - 4459/3.0=2, 4473/4.0=2...(6) QD1 LEU 4 - H ILE 56 poor 8 61 - 13 - 2.1/7573=2, 3.1/1366=2...(5) QD2 LEU 4 - H ILE 56 poor 8 70 - 11 - 3.1/1366=2, 3.1/1366=2...(4) QD2 LEU 114 - H ILE 56 lone 4 94 - 4 - QD1 ILE 116 - H ILE 56 lone 1 61 - 1 - Peak 1369 from nnoeabs.peaks (8.54, 8.54, 127.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 57 + H ILE 57 OK 100 100 - 100 Peak 1370 from nnoeabs.peaks (4.91, 8.54, 127.24 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 57 + H ILE 57 OK 100 100 - 100 - 3.0=100 Peak 1371 from nnoeabs.peaks (1.82, 8.54, 127.24 ppm; 3.38 A): 4 out of 11 assignments used, quality = 0.89: * HB ILE 57 + H ILE 57 OK 83 100 - 83 - 4.0=62, 2.1/1372=17...(9) QE MET 121 + H ILE 57 OK 17 97 - 18 - 10599/4.6=8, 10601/4.9=5...(4) HB ILE 18 + H ILE 57 OK 12 100 - 12 - 7384=3, 3.9/1867=3...(4) HB3 LYS 19 + H ILE 57 OK 11 90 - 12 - 4.4/109=3, 3.0/2982=3...(4) HG12 ILE 5 - H ILE 57 lone 2 73 - 3 - HB2 LEU 14 - H ILE 57 lone 2 100 - 2 - HG2 ARG 105 - H ILE 57 lone 2 65 - 2 - HB3 ARG 105 - H ILE 57 lone 1 97 - 1 - HB ILE 3 - H ILE 57 lone 1 70 - 1 - HB ILE 97 - H ILE 57 lone 1 77 - 1 - HB3 LYS 77 - H ILE 57 lone 0 65 - 1 - Peak 1372 from nnoeabs.peaks (0.84, 8.54, 127.24 ppm; 3.54 A): 2 out of 8 assignments used, quality = 0.93: * QG2 ILE 57 + H ILE 57 OK 88 100 - 88 - 4.0=69, 2.1/1371=22...(11) HG13 ILE 57 + H ILE 57 OK 46 61 - 75 - 4.6=46, 1.8/1373=21...(7) QG2 ILE 15 - H ILE 57 lone 7 97 - 8 - 3.2/7986=4, 10942/4.6=1 QG2 ILE 5 - H ILE 57 lone 5 100 - 5 - 11248/4.6=1 HG13 ILE 5 - H ILE 57 lone 4 98 - 4 - 11248/4.6=1 QD2 LEU 82 - H ILE 57 lone 4 77 - 5 - 4.6/9984=2, 5580/3.0=1 QG2 VAL 22 - H ILE 57 lone 3 81 - 4 - 11248/4.6=2 QD1 LEU 14 - H ILE 57 lone 1 61 - 2 - Peak 1373 from nnoeabs.peaks (1.46, 8.54, 127.24 ppm; 3.66 A): 2 out of 14 assignments used, quality = 0.86: * HG12 ILE 57 + H ILE 57 OK 83 100 - 83 - 4.6=51, 2.9/1371=19...(9) HG3 ARG 30 + H ILE 57 OK 19 96 - 19 - 4.9/11361=14, 9253/3.6=5 HG12 ILE 7 - H ILE 57 lone 9 100 - 9 - ~9080=4, 349/4.7=2 HG2 LYS 106 - H ILE 57 lone 7 100 - 7 - 7850=1, 3.9/7847=1...(4) HG LEU 4 - H ILE 57 lone 5 94 - 5 - 2.1/344=2, 2.1/344=2 HB3 LEU 6 - H ILE 57 lone 3 100 - 3 - HG3 LYS 20 - H ILE 57 lone 3 73 - 4 - 4.9/109=3 HB3 LEU 38 - H ILE 57 lone 2 100 - 2 - HG2 LYS 39 - H ILE 57 lone 1 100 - 1 - HG2 LYS 49 - H ILE 57 lone 1 100 - 1 - HG3 LYS 49 - H ILE 57 lone 1 100 - 1 - HB2 LEU 74 - H ILE 57 lone 1 98 - 1 - HG3 LYS 73 - H ILE 57 lone 0 65 - 1 - HG LEU 80 - H ILE 57 lone 0 61 - 1 - Peak 1374 from nnoeabs.peaks (0.86, 8.54, 127.24 ppm; 3.60 A): 3 out of 11 assignments used, quality = 0.91: * HG13 ILE 57 + H ILE 57 OK 77 100 - 77 - 4.6=49, 1.8/1373=22...(8) QG2 ILE 57 + H ILE 57 OK 54 61 - 88 - 4.0=73, 2.1/1371=23...(10) QG1 VAL 32 + H ILE 57 OK 13 96 - 14 - 4.0/11348=12 QG2 VAL 107 - H ILE 57 lone 7 94 - 7 - 6545=2, 11417/4.4=1, 2.1/6550=1 QG2 ILE 15 - H ILE 57 lone 6 87 - 7 - 3.2/7986=5 QG2 THR 9 - H ILE 57 lone 5 99 - 5 - 11097/7986=1, 4.0/9576=1 QG2 VAL 22 - H ILE 57 lone 5 99 - 5 - 11248/4.6=2 HG13 ILE 5 - H ILE 57 lone 3 84 - 4 - 11248/4.6=2 QG2 ILE 5 - H ILE 57 lone 3 65 - 5 - 11248/4.6=2 QG2 VAL 117 - H ILE 57 lone 2 98 - 2 - QD1 LEU 14 - H ILE 57 lone 2 100 - 2 - Peak 1375 from nnoeabs.peaks (0.71, 8.54, 127.24 ppm; 3.01 A): 3 out of 9 assignments used, quality = 0.88: * QD1 ILE 57 + H ILE 57 OK 67 100 - 67 - 4.9=24, 2.1/1373=14...(12) QG2 ILE 56 + H ILE 57 OK 57 84 - 68 - 4.4=33, 3.2/339=18...(11) QD2 LEU 81 + H ILE 57 OK 19 100 - 20 - 11634/4.0=4, 11389/4.6=3...(7) QG2 ILE 18 - H ILE 57 lone 8 90 - 9 - 2.1/1371=2, 4.0/1867=2 QD2 LEU 63 - H ILE 57 lone 5 100 - 5 - 351/4.7=1, 4491/344=1 QD1 LEU 6 - H ILE 57 lone 4 96 - 4 - QG1 VAL 117 - H ILE 57 lone 3 81 - 3 - QG2 VAL 78 - H ILE 57 lone 0 65 - 1 - QD2 LEU 45 - H ILE 57 lone 0 65 - 1 - Peak 1376 from nnoeabs.peaks (8.81, 8.81, 119.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 58 + H SER 58 OK 100 100 - 100 Peak 1377 from nnoeabs.peaks (5.01, 8.81, 119.27 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 58 + H SER 58 OK 100 100 - 100 - 3.0=100 Peak 1378 from nnoeabs.peaks (3.78, 8.81, 119.27 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 58 + H SER 58 OK 100 100 - 100 - 4.0=100 Peak 1379 from nnoeabs.peaks (3.42, 8.81, 119.27 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 58 + H SER 58 OK 100 100 - 100 - 4.0=100 Peak 1380 from nnoeabs.peaks (8.79, 8.79, 122.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 59 + H ASN 59 OK 100 100 - 100 Peak 1381 from nnoeabs.peaks (4.71, 8.79, 122.38 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 59 + H ASN 59 OK 100 100 - 100 - 3.0=100 Peak 1382 from nnoeabs.peaks (3.01, 8.79, 122.38 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 59 + H ASN 59 OK 100 100 - 100 - 4.0=100 Peak 1383 from nnoeabs.peaks (2.87, 8.79, 122.38 ppm; 3.90 A): 1 out of 2 assignments used, quality = 0.96: * HB3 ASN 59 + H ASN 59 OK 96 100 - 96 - 4.0=95, 4.6/1902=21 HE3 LYS 2 - H ASN 59 lone 1 90 - 1 - Peak 1386 from nnoeabs.peaks (7.86, 7.86, 119.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 60 + H ASP 60 OK 100 100 - 100 Peak 1387 from nnoeabs.peaks (4.86, 7.86, 119.74 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 60 + H ASP 60 OK 100 100 - 100 - 3.0=100 Peak 1388 from nnoeabs.peaks (2.73, 7.86, 119.74 ppm; 3.70 A): 1 out of 6 assignments used, quality = 0.89: * HB2 ASP 60 + H ASP 60 OK 89 100 - 89 - 4.0=80, 1.8/1389=32...(6) HG3 GLU 37 - H ASP 60 lone 3 97 - 3 - HB3 ASP 109 - H ASP 60 lone 1 98 - 1 - HE3 LYS 53 - H ASP 60 lone 1 65 - 2 - HB3 ASN 11 - H ASP 60 lone 1 94 - 1 - HB3 TYR 102 - H ASP 60 lone 0 73 - 0 - Peak 1389 from nnoeabs.peaks (2.57, 7.86, 119.74 ppm; 3.69 A): 2 out of 4 assignments used, quality = 0.89: * HB3 ASP 60 + H ASP 60 OK 88 100 - 88 - 4.0=79, 1.8/1388=34...(6) HG2 MET 67 + H ASP 60 OK 11 100 - 11 - 3.3/9646=7, 9686/9649=1 HE3 LYS 77 - H ASP 60 lone 1 96 - 2 - HB3 ASP 86 - H ASP 60 lone 1 100 - 1 - Peak 1390 from nnoeabs.peaks (8.90, 8.90, 125.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 61 + H LYS 61 OK 100 100 - 100 Peak 1391 from nnoeabs.peaks (3.72, 8.90, 125.82 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 61 + H LYS 61 OK 100 100 - 100 - 3.0=100 Peak 1392 from nnoeabs.peaks (1.52, 8.90, 125.82 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 61 + H LYS 61 OK 100 100 - 100 - 3.7=100 Peak 1393 from nnoeabs.peaks (1.43, 8.90, 125.82 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 61 + H LYS 61 OK 100 100 - 100 - 3.7=100 Peak 1394 from nnoeabs.peaks (1.03, 8.90, 125.82 ppm; 4.02 A): 1 out of 5 assignments used, quality = 0.78: * HG2 LYS 61 + H LYS 61 OK 78 100 - 78 - 4.8=61, 1.8/1395=33, 370/4.6=15 HG3 LYS 2 - H LYS 61 lone 2 98 - 2 - HB2 PHE 79 - H LYS 61 lone 1 84 - 2 - QD1 LEU 127 - H LYS 61 lone 1 70 - 2 - HG13 ILE 71 - H LYS 61 lone 1 97 - 1 - Peak 1395 from nnoeabs.peaks (1.26, 8.90, 125.82 ppm; 4.06 A): 1 out of 6 assignments used, quality = 0.78: * HG3 LYS 61 + H LYS 61 OK 78 100 - 78 - 4.8=62, 1.8/1394=36, 371/4.6=8 HG12 ILE 54 - H LYS 61 lone 4 96 - 4 - 371/4.6=3 HD2 LYS 2 - H LYS 61 lone 2 99 - 2 - QG2 THR 108 - H LYS 61 lone 1 94 - 1 - HG13 ILE 7 - H LYS 61 lone 1 99 - 1 - HD3 LYS 53 - H LYS 61 lone 1 90 - 1 - Peak 1400 from nnoeabs.peaks (8.43, 8.43, 118.92 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 62 + H GLN 62 OK 100 100 - 100 Peak 1401 from nnoeabs.peaks (4.11, 8.43, 118.92 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 62 + H GLN 62 OK 100 100 - 100 - 2.9=100 Peak 1402 from nnoeabs.peaks (2.17, 8.43, 118.92 ppm; 2.93 A): 2 out of 6 assignments used, quality = 0.85: * HB2 GLN 62 + H GLN 62 OK 61 100 - 61 - 4.0=38, 1.8/4685=11...(9) HB3 GLN 62 + H GLN 62 OK 61 100 - 61 - 4.0=38, 1.8/4685=11...(9) HB2 GLN 85 - H GLN 62 lone 8 98 - 8 - 3.0/1405=2, 3.0/1405=2 HB3 GLU 37 - H GLN 62 lone 2 96 - 2 - HB2 GLU 98 - H GLN 62 lone 0 87 - 0 - HB3 GLU 13 - H GLN 62 lone 0 97 - 0 - Peak 1403 from nnoeabs.peaks (2.17, 8.43, 118.92 ppm; 2.93 A): 2 out of 6 assignments used, quality = 0.85: HB2 GLN 62 + H GLN 62 OK 61 100 - 61 - 4.0=38, 1.8/4685=11...(9) * HB3 GLN 62 + H GLN 62 OK 61 100 - 61 - 4.0=38, 1.8/4685=11...(9) HB2 GLN 85 - H GLN 62 lone 8 98 - 8 - 3.0/1405=2, 3.0/1405=2 HB3 GLU 37 - H GLN 62 lone 2 96 - 2 - HB2 GLU 98 - H GLN 62 lone 0 87 - 0 - HB3 GLU 13 - H GLN 62 lone 0 97 - 0 - Peak 1404 from nnoeabs.peaks (2.41, 8.43, 118.92 ppm; 3.41 A): 4 out of 9 assignments used, quality = 0.93: * HG2 GLN 62 + H GLN 62 OK 69 100 - 69 - 5.2=29, 3.0/1402=14...(11) HG3 GLN 62 + H GLN 62 OK 69 100 - 69 - 5.2=29, 3.0/1402=14...(11) HG2 GLN 85 + H GLN 62 OK 18 98 - 19 - 4701=4, 1.8/4701=3...(10) HG3 GLN 85 + H GLN 62 OK 18 96 - 19 - 4701=3, 1.8/4701=3...(10) HG3 MET 67 - H GLN 62 lone 2 65 - 3 - HG2 GLN 122 - H GLN 62 lone 1 97 - 1 - HB2 ASP 110 - H GLN 62 lone 1 100 - 1 - HG2 GLU 91 - H GLN 62 lone 1 99 - 1 - HG2 MET 1 - H GLN 62 lone 0 73 - 0 - Peak 1405 from nnoeabs.peaks (2.41, 8.43, 118.92 ppm; 3.41 A): 4 out of 9 assignments used, quality = 0.93: * HG3 GLN 62 + H GLN 62 OK 69 100 - 69 - 5.2=29, 3.0/1402=14...(11) HG2 GLN 62 + H GLN 62 OK 69 100 - 69 - 5.2=29, 3.0/1402=14...(11) HG2 GLN 85 + H GLN 62 OK 19 99 - 19 - 4701=4, 1.8/4701=3...(10) HG3 GLN 85 + H GLN 62 OK 18 97 - 19 - 4701=3, 1.8/4701=3...(10) HG3 MET 67 - H GLN 62 lone 2 70 - 3 - HG2 GLN 122 - H GLN 62 lone 1 98 - 1 - HB2 ASP 110 - H GLN 62 lone 1 99 - 1 - HG2 GLU 91 - H GLN 62 lone 1 99 - 1 - HG2 MET 1 - H GLN 62 lone 0 70 - 0 - Peak 1408 from nnoeabs.peaks (7.67, 7.67, 120.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 63 + H LEU 63 OK 100 100 - 100 Peak 1409 from nnoeabs.peaks (4.13, 7.67, 120.07 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 63 + H LEU 63 OK 100 100 - 100 - 2.9=100 Peak 1410 from nnoeabs.peaks (1.87, 7.67, 120.07 ppm; 3.48 A): 2 out of 12 assignments used, quality = 0.92: * HB2 LEU 63 + H LEU 63 OK 89 100 - 89 - 4.0=64, 1.8/4723=21...(12) QE MET 67 + H LEU 63 OK 21 94 - 23 - 9725/4.7=6, 3.3/9672=5...(6) HG LEU 45 - H LEU 63 lone 7 90 - 7 - 2.1/1414=2, 2.1/1413=1 HB2 LYS 20 - H LEU 63 poor 7 61 - 11 - 2.9/7401=2, 2.9/7402=2...(6) HB3 LYS 20 - H LEU 63 poor 7 61 - 11 - 2.9/7401=2, 2.9/7402=2...(6) QE MET 42 - H LEU 63 lone 5 99 - 5 - 9431/4.7=2 HB3 ARG 118 - H LEU 63 lone 4 100 - 4 - 4.1/2080=2, 386/4.6=1 HG LEU 127 - H LEU 63 lone 3 84 - 3 - HG2 ARG 95 - H LEU 63 lone 1 99 - 1 - HB2 LYS 16 - H LEU 63 lone 1 94 - 1 - HB3 LYS 16 - H LEU 63 lone 1 92 - 1 - HB2 ARG 105 - H LEU 63 lone 1 81 - 1 - Peak 1411 from nnoeabs.peaks (1.43, 7.67, 120.07 ppm; 3.66 A): 2 out of 11 assignments used, quality = 0.96: * HB3 LEU 63 + H LEU 63 OK 94 100 - 94 - 4.0=74, 1.8/4716=26...(13) HB3 LYS 61 + H LEU 63 OK 33 98 - 34 - 4.6/1905=18, 3.0/8095=16 HG12 ILE 56 - H LEU 63 OK 17 100 - 17 - 11706/4.7=5, ~11253=4...(6) QB ALA 113 - H LEU 63 lone 4 73 - 6 - 387/4.6=1 HB3 GLN 83 - H LEU 63 lone 4 98 - 4 - 4.0/376=1, 10007/4.7=1 HB2 LEU 4 - H LEU 63 lone 1 90 - 1 - HB3 LEU 4 - H LEU 63 lone 1 90 - 1 - HG3 LYS 17 - H LEU 63 lone 1 100 - 1 - HG LEU 80 - H LEU 63 lone 1 77 - 2 - HG2 LYS 96 - H LEU 63 lone 1 81 - 1 - HG3 LYS 44 - H LEU 63 lone 1 87 - 1 - Peak 1412 from nnoeabs.peaks (1.62, 7.67, 120.07 ppm; 3.29 A): 2 out of 10 assignments used, quality = 0.82: * HG LEU 63 + H LEU 63 OK 75 100 - 75 - 5.1=27, 3.0/4716=16...(12) HB3 LEU 64 + H LEU 63 OK 27 94 - 28 - 3.6/384=18, 4.2/2086=5...(5) HB2 LEU 82 - H LEU 63 lone 4 100 - 4 - 9964/4.0=1 HB3 LEU 127 - H LEU 63 lone 3 97 - 3 - HB ILE 116 - H LEU 63 lone 3 92 - 3 - HG LEU 90 - H LEU 63 lone 2 61 - 3 - ~11252=1 HD3 LYS 77 - H LEU 63 lone 1 100 - 1 - HD2 LYS 77 - H LEU 63 lone 1 99 - 1 - HG2 LYS 16 - H LEU 63 lone 1 97 - 1 - HG3 LYS 40 - H LEU 63 lone 1 100 - 1 - Peak 1413 from nnoeabs.peaks (0.71, 7.67, 120.07 ppm; 3.89 A): 1 out of 9 assignments used, quality = 0.93: * QD2 LEU 63 + H LEU 63 OK 93 100 - 93 - 4.7=57, 4738/2.9=30...(11) QG1 VAL 117 - H LEU 63 OK 14 87 - 16 - 4714/2.9=3, 2.1/9671=3...(6) QG2 ILE 56 - H LEU 63 OK 13 77 - 17 - 10946/4.0=5, 4714/2.9=4...(6) QD1 LEU 6 - H LEU 63 OK 13 98 - 13 - 2.1/1414=4, 4714/2.9=3...(4) QD2 LEU 45 - H LEU 63 lone 7 73 - 10 - 2.1/1414=2, 2.1/1410=2 QG2 ILE 18 - H LEU 63 lone 6 94 - 6 - 3.2/8002=2, 3.2/1414=1 QD2 LEU 81 - H LEU 63 lone 5 100 - 5 - 389/4.6=2, 4714/2.9=1 QD1 ILE 57 - H LEU 63 lone 3 100 - 3 - QG2 VAL 78 - H LEU 63 lone 1 73 - 2 - Peak 1414 from nnoeabs.peaks (0.74, 7.67, 120.07 ppm; 3.95 A): 1 out of 9 assignments used, quality = 0.94: * QD1 LEU 63 + H LEU 63 OK 94 100 - 94 - 4.7=60, 2.1/4730=27...(12) QD2 LEU 6 - H LEU 63 OK 18 98 - 18 - 390/4.6=4, 4744=3...(5) QD1 LEU 45 - H LEU 63 OK 11 84 - 12 - 2.1/1410=2, 4715/2.9=2...(5) QG2 ILE 54 - H LEU 63 lone 6 99 - 6 - 9665/4.6=3, 4715/2.9=1 QD2 LEU 45 - H LEU 63 lone 6 73 - 8 - 2.1/1410=2, 4715/2.9=1...(4) HG13 ILE 18 - H LEU 63 lone 6 87 - 7 - 3.8/8002=2, 3.2/1413=1 QG2 ILE 7 - H LEU 63 lone 3 100 - 3 - QD2 LEU 55 - H LEU 63 lone 3 99 - 3 - QG2 VAL 78 - H LEU 63 lone 2 73 - 2 - Peak 1415 from nnoeabs.peaks (7.63, 7.63, 117.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 64 + H LEU 64 OK 100 100 - 100 Peak 1416 from nnoeabs.peaks (3.91, 7.63, 117.70 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 64 + H LEU 64 OK 100 100 - 100 - 2.9=100 Peak 1417 from nnoeabs.peaks (1.79, 7.63, 117.70 ppm; 3.60 A): 1 out of 10 assignments used, quality = 0.99: * HB2 LEU 64 + H LEU 64 OK 99 100 - 99 - 3.6=96, 3.1/1421=18...(13) HB VAL 32 - H LEU 64 OK 23 84 - 27 - 2.1/9278=7, 10791/4.8=4...(9) HB2 ARG 118 - H LEU 64 OK 10 92 - 11 - 1.8/386=3, 4.1/1907=3...(4) HB2 LYS 19 - H LEU 64 lone 5 100 - 5 - 11029/4.7=2, 4781/4.7=2 HB2 LEU 90 - H LEU 64 lone 4 84 - 4 - 4.0/1907=1, 5782/4.6=1 HG2 ARG 105 - H LEU 64 lone 2 73 - 3 - HB ILE 97 - H LEU 64 lone 2 61 - 3 - 10134/4.7=2 HB ILE 3 - H LEU 64 lone 2 70 - 3 - ~9014=1 HB3 GLN 28 - H LEU 64 lone 2 98 - 2 - HG12 ILE 5 - H LEU 64 lone 1 65 - 1 - Peak 1418 from nnoeabs.peaks (1.63, 7.63, 117.70 ppm; 3.15 A): 3 out of 12 assignments used, quality = 0.97: * HB3 LEU 64 + H LEU 64 OK 86 100 - 86 - 3.6=64, 1.8/1417=19...(13) HG LEU 64 + H LEU 64 OK 58 84 - 69 - 5.2=23, 2.1/1421=17...(10) HG LEU 63 + H LEU 64 OK 46 94 - 49 - 2.1/390=13, 3.0/386=11...(9) HB ILE 116 - H LEU 64 lone 7 100 - 8 - 3.9/725=2, 10484/4.7=1 HB2 LEU 82 - H LEU 64 lone 6 96 - 6 - 4.5/2082=1 HG LEU 90 - H LEU 64 lone 3 92 - 3 - HG2 LYS 16 - H LEU 64 lone 1 100 - 1 - HB3 LEU 127 - H LEU 64 lone 1 73 - 1 - HB ILE 5 - H LEU 64 lone 1 70 - 1 - HD2 LYS 77 - H LEU 64 lone 1 99 - 1 - HD3 LYS 77 - H LEU 64 lone 1 98 - 1 - HG3 LYS 40 - H LEU 64 lone 1 94 - 1 - Peak 1419 from nnoeabs.peaks (1.64, 7.63, 117.70 ppm; 3.15 A): 5 out of 17 assignments used, quality = 0.95: HB3 LEU 64 + H LEU 64 OK 72 84 - 85 - 3.6=64, 1.8/1417=19...(12) * HG LEU 64 + H LEU 64 OK 69 100 - 69 - 5.2=23, 2.1/1421=17...(10) HG LEU 114 + H LEU 64 OK 21 94 - 23 - 2.1/1420=5, 3.7/2083=4...(9) HD3 LYS 65 + H LEU 64 OK 12 94 - 13 - 6.1/1907=4, 4.8/8129=3...(5) HD2 LYS 65 + H LEU 64 OK 11 87 - 12 - 6.1/1907=4, 4.8/8129=3...(5) HB ILE 116 - H LEU 64 lone 6 87 - 7 - 3.9/725=2 HD2 LYS 115 - H LEU 64 lone 4 81 - 5 - 1429/4.6=1 HD3 LYS 115 - H LEU 64 lone 4 70 - 5 - 1429/4.6=1 HG LEU 90 - H LEU 64 lone 3 100 - 3 - HB ILE 5 - H LEU 64 lone 2 99 - 2 - HB2 ARG 30 - H LEU 64 lone 1 87 - 1 - HG2 LYS 16 - H LEU 64 lone 1 77 - 1 - HD3 LYS 49 - H LEU 64 lone 0 90 - 0 - HD2 LYS 49 - H LEU 64 lone 0 90 - 0 - HD2 LYS 77 - H LEU 64 lone 0 65 - 1 - HD3 LYS 77 - H LEU 64 lone 0 61 - 1 - HB2 GLU 52 - H LEU 64 lone 0 81 - 0 - Peak 1420 from nnoeabs.peaks (0.81, 7.63, 117.70 ppm; 3.58 A): 2 out of 7 assignments used, quality = 0.90: * QD1 LEU 64 + H LEU 64 OK 86 100 - 86 - 4.7=45, 2.1/1421=22...(10) QD1 LEU 114 + H LEU 64 OK 27 94 - 29 - 4756/2.9=5, 3.9/2083=5...(10) QG2 ILE 71 - H LEU 64 lone 7 100 - 7 - 3.2/2083=2, 4756/2.9=2 QD2 LEU 82 - H LEU 64 lone 6 90 - 6 - 2.1/1421=1 QD1 LEU 74 - H LEU 64 lone 5 100 - 5 - QD2 LEU 74 - H LEU 64 lone 4 99 - 4 - QG1 VAL 29 - H LEU 64 lone 1 81 - 1 - Peak 1421 from nnoeabs.peaks (0.78, 7.63, 117.70 ppm; 3.71 A): 2 out of 8 assignments used, quality = 0.90: * QD2 LEU 64 + H LEU 64 OK 88 100 - 88 - 4.7=50, 4787/2.9=27...(10) QD1 LEU 81 + H LEU 64 OK 19 98 - 19 - 4757/2.9=5, 11602/4.6=4...(7) QD2 LEU 80 - H LEU 64 lone 6 97 - 6 - 4757/2.9=2 QD1 LEU 82 - H LEU 64 lone 6 99 - 6 - 2.1/1420=2, 4757/2.9=1 QD1 LEU 80 - H LEU 64 lone 4 96 - 4 - QD1 ILE 7 - H LEU 64 lone 4 73 - 5 - QG1 VAL 29 - H LEU 64 lone 1 70 - 1 - QD1 ILE 15 - H LEU 64 lone 0 61 - 1 - Peak 1422 from nnoeabs.peaks (8.04, 8.04, 118.31 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * H LYS 65 + H LYS 65 OK 100 100 - 100 H THR 9 + H THR 9 OK 74 74 - 100 H ARG 118 + H ARG 118 OK 52 52 - 100 Peak 1423 from nnoeabs.peaks (3.79, 8.04, 118.31 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 65 + H LYS 65 OK 100 100 - 100 - 3.0=100 Peak 1424 from nnoeabs.peaks (1.93, 8.04, 118.31 ppm; 3.10 A): 3 out of 60 assignments used, quality = 0.95: * HB2 LYS 65 + H LYS 65 OK 74 100 - 74 - 4.0=47, 4.7/1908=10...(14) HB3 LYS 65 + H LYS 65 OK 74 100 - 74 - 4.0=47, 4.7/1908=10...(14) HB3 LYS 115 + H LYS 65 OK 28 100 - 28 - 3.0/8261=6, 3.0/1426=4...(10) HB2 LYS 115 - H LYS 65 OK 27 98 - 28 - 3.0/8261=6, 3.0/1426=4...(10) HB2 LEU 81 - H LYS 65 OK 12 77 - 16 - 3.1/397=3, 3.0/1427=3...(6) HG2 MET 121 - H ARG 118 OK 12 40 - 30 - ~8286=6, ~8283=6...(8) HB3 LYS 115 - H ARG 118 OK 11 68 - 16 - 3.0/8261=9, 4803=2...(6) HB2 LYS 115 - H ARG 118 OK 11 64 - 17 - 3.0/8261=9, 10523/4.3=1...(6) HB2 LYS 123 - H LYS 65 lone 6 100 - 6 - 3.7/2089=3 HB3 LYS 65 - H ARG 118 lone 4 68 - 6 - HB2 LYS 65 - H ARG 118 lone 4 68 - 6 - HB2 LEU 70 - H LYS 65 lone 3 96 - 3 - 3.8/2114=1, 4.5/1914=1 HB2 LYS 65 - H THR 9 lone 3 79 - 4 - HB3 LYS 65 - H THR 9 lone 3 79 - 4 - HB2 LEU 81 - H ARG 118 lone 2 45 - 5 - 10523/4.3=2, 3.1/11602=1 HB ILE 15 - H THR 9 lone 2 41 - 4 - ~10741=4 HB2 LYS 39 - H LYS 65 lone 2 100 - 2 - HB3 LYS 115 - H THR 9 lone 1 79 - 2 - HB2 LYS 115 - H THR 9 lone 1 74 - 2 - HB3 LYS 17 - H LYS 65 lone 1 87 - 1 - HB VAL 104 - H LYS 65 lone 1 87 - 1 - HB2 LEU 127 - H LYS 65 lone 1 100 - 1 - HG2 MET 121 - H LYS 65 lone 1 70 - 1 - HB3 LYS 40 - H LYS 65 lone 1 90 - 1 - HB3 LYS 39 - H LYS 65 lone 1 81 - 1 - HB2 LYS 123 - H THR 9 lone 1 79 - 1 - HB2 LYS 123 - H ARG 118 lone 1 68 - 1 - HB2 LEU 70 - H ARG 118 lone 1 61 - 1 - HB ILE 15 - H ARG 118 lone 1 34 - 2 - HB3 MET 42 - H LYS 65 lone 1 73 - 1 - HB3 GLU 41 - H LYS 65 lone 1 77 - 1 - HB3 LYS 17 - H THR 9 lone 1 62 - 1 - HB3 LYS 17 - H ARG 118 lone 1 52 - 1 - HB2 GLU 41 - H LYS 65 lone 0 73 - 1 - HB2 LYS 39 - H ARG 118 lone 0 68 - 1 - HB2 LEU 81 - H THR 9 lone 0 54 - 1 - HG2 MET 121 - H THR 9 lone 0 48 - 1 - HB ILE 15 - H LYS 65 lone 0 61 - 1 - HB2 LYS 39 - H THR 9 lone 0 79 - 0 - HB2 LEU 127 - H ARG 118 lone 0 68 - 0 - HB3 GLU 52 - H LYS 65 lone 0 65 - 0 - HB3 LYS 40 - H ARG 118 lone 0 55 - 1 - HB VAL 104 - H ARG 118 lone 0 52 - 1 - HB2 LEU 127 - H THR 9 lone 0 79 - 0 - HB VAL 29 - H LYS 65 lone 0 61 - 0 - HB3 LYS 40 - H THR 9 lone 0 65 - 0 - HB VAL 104 - H THR 9 lone 0 62 - 0 - HB3 LYS 39 - H THR 9 lone 0 56 - 0 - HB2 LEU 70 - H THR 9 lone 0 71 - 0 - HB3 LYS 39 - H ARG 118 lone 0 48 - 0 - HB3 MET 42 - H THR 9 lone 0 51 - 0 - HB3 GLU 41 - H ARG 118 lone 0 45 - 0 - HB3 MET 42 - H ARG 118 lone 0 42 - 0 - HB2 GLU 41 - H ARG 118 lone 0 42 - 0 - HB3 GLU 41 - H THR 9 lone 0 54 - 0 - HB2 GLU 41 - H THR 9 lone 0 51 - 0 - HB3 GLU 52 - H THR 9 lone 0 44 - 0 - HB VAL 29 - H THR 9 lone 0 41 - 0 - HB3 GLU 52 - H ARG 118 lone 0 37 - 0 - HB VAL 29 - H ARG 118 lone 0 34 - 0 - Peak 1425 from nnoeabs.peaks (1.93, 8.04, 118.31 ppm; 3.10 A): 3 out of 60 assignments used, quality = 0.95: * HB3 LYS 65 + H LYS 65 OK 74 100 - 74 - 4.0=47, 4.7/1908=10...(14) HB2 LYS 65 + H LYS 65 OK 74 100 - 74 - 4.0=47, 4.7/1908=10...(14) HB3 LYS 115 + H LYS 65 OK 28 100 - 28 - 3.0/8261=6, 3.0/1426=4...(10) HB2 LYS 115 - H LYS 65 OK 27 99 - 28 - 3.0/8261=6, 3.0/1426=4...(10) HG2 MET 121 - H ARG 118 OK 13 42 - 30 - ~8286=6, ~8283=6...(8) HB2 LEU 81 - H LYS 65 OK 13 81 - 16 - 3.1/397=3, 3.0/1427=3...(6) HB3 LYS 115 - H ARG 118 OK 11 68 - 16 - 3.0/8261=9, 4803=2...(6) HB2 LYS 115 - H ARG 118 OK 11 65 - 17 - 3.0/8261=9, 10523/4.3=1...(6) HB2 LYS 123 - H LYS 65 lone 6 100 - 6 - 3.7/2089=3 HB3 LYS 65 - H ARG 118 lone 4 68 - 6 - HB2 LYS 65 - H ARG 118 lone 4 68 - 6 - HB3 LYS 123 - H LYS 65 lone 3 61 - 5 - 3.7/2089=3 HB2 LEU 70 - H LYS 65 lone 3 94 - 3 - 3.8/2114=1, 4.5/1914=1 HB3 LYS 65 - H THR 9 lone 3 79 - 4 - HB2 LYS 65 - H THR 9 lone 3 79 - 4 - HB2 LEU 81 - H ARG 118 lone 2 48 - 5 - 10523/4.3=2, 3.1/11602=1 HB ILE 15 - H THR 9 lone 2 44 - 4 - ~10741=4 HB2 LYS 39 - H LYS 65 lone 2 100 - 2 - HB3 LYS 115 - H THR 9 lone 1 79 - 2 - HB3 LYS 17 - H LYS 65 lone 1 90 - 1 - HB2 LYS 115 - H THR 9 lone 1 76 - 2 - HB VAL 104 - H LYS 65 lone 1 84 - 1 - HB2 LEU 127 - H LYS 65 lone 1 100 - 1 - HG2 MET 121 - H LYS 65 lone 1 73 - 1 - HB3 LYS 40 - H LYS 65 lone 1 87 - 1 - HB3 LYS 39 - H LYS 65 lone 1 77 - 1 - HB2 LYS 123 - H THR 9 lone 1 79 - 1 - HB2 LYS 123 - H ARG 118 lone 1 68 - 1 - HB ILE 15 - H ARG 118 lone 1 37 - 2 - HB3 LYS 17 - H THR 9 lone 1 65 - 1 - HB2 LEU 70 - H ARG 118 lone 1 59 - 1 - HB3 LYS 17 - H ARG 118 lone 1 55 - 1 - HB3 MET 42 - H LYS 65 lone 0 70 - 1 - HB3 GLU 41 - H LYS 65 lone 0 73 - 1 - HB2 GLU 41 - H LYS 65 lone 0 70 - 1 - HB2 LEU 81 - H THR 9 lone 0 56 - 1 - HB2 LYS 39 - H ARG 118 lone 0 68 - 1 - HG2 MET 121 - H THR 9 lone 0 51 - 1 - HB ILE 15 - H LYS 65 lone 0 65 - 1 - HB2 LYS 39 - H THR 9 lone 0 79 - 0 - HB3 LYS 123 - H THR 9 lone 0 41 - 1 - HB2 LEU 127 - H ARG 118 lone 0 68 - 0 - HB3 LYS 40 - H ARG 118 lone 0 52 - 1 - HB3 GLU 52 - H LYS 65 lone 0 61 - 0 - HB2 LEU 127 - H THR 9 lone 0 79 - 0 - HB VAL 104 - H ARG 118 lone 0 50 - 1 - HB3 LYS 123 - H ARG 118 lone 0 34 - 1 - HB3 LYS 40 - H THR 9 lone 0 62 - 0 - HB VAL 104 - H THR 9 lone 0 59 - 0 - HB2 LEU 70 - H THR 9 lone 0 69 - 0 - HB3 LYS 39 - H THR 9 lone 0 54 - 0 - HB3 LYS 39 - H ARG 118 lone 0 45 - 0 - HB3 MET 42 - H THR 9 lone 0 48 - 0 - HB3 GLU 41 - H ARG 118 lone 0 42 - 0 - HB2 GLU 41 - H ARG 118 lone 0 40 - 0 - HB3 MET 42 - H ARG 118 lone 0 40 - 0 - HB3 GLU 41 - H THR 9 lone 0 51 - 0 - HB2 GLU 41 - H THR 9 lone 0 48 - 0 - HB3 GLU 52 - H THR 9 lone 0 41 - 0 - HB3 GLU 52 - H ARG 118 lone 0 34 - 0 - Peak 1426 from nnoeabs.peaks (1.55, 8.04, 118.31 ppm; 3.67 A): 2 out of 30 assignments used, quality = 0.87: * HG2 LYS 65 + H LYS 65 OK 80 100 - 80 - 5.0=40, 4797/3.0=18...(18) HG2 LYS 115 + H LYS 65 OK 38 87 - 44 - 4823=7, 4797/3.0=7...(17) HG2 LYS 115 - H ARG 118 poor 9 52 - 17 - 3.9/8261=10, 4823=2...(5) QB ALA 46 - H LYS 65 lone 7 100 - 7 - 9461/4.7=2 HG2 LYS 65 - H ARG 118 lone 4 68 - 7 - 4823=1, 6703/8261=1, 1.8/4833=1 HD3 LYS 94 - H LYS 65 lone 4 87 - 5 - 4797/3.0=1 HD2 LYS 94 - H LYS 65 lone 4 87 - 5 - 4797/3.0=1 HG2 LYS 65 - H THR 9 lone 3 79 - 4 - 1.8/4833=1 HB VAL 78 - H LYS 65 lone 3 96 - 3 - HG LEU 55 - H THR 9 lone 2 48 - 4 - ~11554=2, ~11585=1 HD2 LYS 106 - H LYS 65 lone 2 87 - 2 - HD3 LYS 106 - H LYS 65 lone 2 84 - 2 - HG2 LYS 115 - H THR 9 lone 1 62 - 2 - HG12 ILE 3 - H LYS 65 lone 1 87 - 1 - HD2 LYS 106 - H THR 9 lone 1 62 - 1 - HB VAL 78 - H THR 9 lone 1 71 - 1 - HD3 LYS 106 - H THR 9 lone 1 59 - 1 - HD2 LYS 106 - H ARG 118 lone 1 52 - 2 - HD3 LYS 106 - H ARG 118 lone 1 50 - 2 - QB ALA 46 - H THR 9 lone 1 79 - 1 - HG LEU 55 - H LYS 65 lone 1 70 - 1 - HB VAL 78 - H ARG 118 lone 1 61 - 1 - QB ALA 46 - H ARG 118 lone 1 68 - 1 - HG LEU 55 - H ARG 118 lone 0 40 - 1 - HG12 ILE 3 - H THR 9 lone 0 62 - 1 - HD3 LYS 94 - H ARG 118 lone 0 52 - 1 - HD2 LYS 94 - H ARG 118 lone 0 52 - 1 - HG12 ILE 3 - H ARG 118 lone 0 52 - 1 - HD3 LYS 94 - H THR 9 lone 0 62 - 0 - HD2 LYS 94 - H THR 9 lone 0 62 - 0 - Peak 1427 from nnoeabs.peaks (1.34, 8.04, 118.31 ppm; 4.25 A): 2 out of 12 assignments used, quality = 0.95: * HG3 LYS 65 + H LYS 65 OK 93 100 - 93 - 5.0=62, 1.8/1426=21...(20) HG LEU 81 + H LYS 65 OK 34 100 - 34 - 4798/3.0=8, 2.1/397=7...(9) HB3 LEU 81 - H LYS 65 OK 24 87 - 27 - 3.1/397=6, 4798/3.0=6...(7) HG LEU 81 - H ARG 118 poor 7 67 - 10 - 11639/4.3=4, 2.1/11602=3...(4) HG3 LYS 65 - H ARG 118 lone 5 68 - 7 - 4833=2, 1.8/4823=1 HG3 LYS 65 - H THR 9 lone 5 79 - 6 - 4833=2, 1.8/4823=1 HG2 LYS 77 - H LYS 65 lone 4 90 - 5 - 9852/11668=1 HB3 LEU 81 - H ARG 118 lone 3 52 - 5 - 3.1/11602=2, 3.1/746=1 HG LEU 81 - H THR 9 lone 2 78 - 3 - HB3 LEU 81 - H THR 9 lone 1 62 - 1 - HG2 LYS 77 - H ARG 118 lone 1 55 - 1 - HG2 LYS 77 - H THR 9 lone 1 65 - 1 - Peak 1428 from nnoeabs.peaks (1.65, 8.04, 118.31 ppm; 3.43 A): 4 out of 36 assignments used, quality = 0.96: * HD2 LYS 65 + H LYS 65 OK 66 100 - 66 - 6.1=18, 3.0/1426=12...(17) HD3 LYS 65 + H LYS 65 OK 66 100 - 66 - 6.1=18, 3.0/1426=12...(17) HD2 LYS 115 + H LYS 65 OK 40 100 - 40 - 2.9/1426=6, 4.9/8261=4...(21) HD3 LYS 115 + H LYS 65 OK 39 99 - 40 - 2.9/1426=6, 4.9/8261=4...(21) HG LEU 64 - H LYS 65 OK 33 87 - 38 - 2.1/397=9, 3.0/393=9...(7) HG LEU 114 - H LYS 65 OK 16 100 - 16 - 3.7/2088=3, 2.1/396=3...(7) HD2 LYS 115 - H ARG 118 poor 8 67 - 11 - 4.9/8261=6, 2.9/1426=1 HD3 LYS 115 - H ARG 118 poor 7 65 - 11 - 4.9/8261=6, 2.9/1426=1 HG LEU 90 - H LYS 65 lone 7 77 - 9 - 2.1/5803=2, 2.1/5810=2...(4) HG LEU 114 - H ARG 118 poor 7 67 - 10 - 3.7/8259=3, ~6855=1...(4) HG LEU 64 - H THR 9 lone 6 62 - 9 - 2.1/396=3, 2.1/397=2...(4) HG LEU 64 - H ARG 118 lone 5 52 - 10 - 5.2/1907=2, 3.0/393=1...(5) HD3 LYS 65 - H ARG 118 lone 3 67 - 5 - HD2 LYS 65 - H ARG 118 lone 3 68 - 4 - HD2 LYS 65 - H THR 9 lone 2 79 - 3 - HD3 LYS 65 - H THR 9 lone 2 78 - 3 - HB ILE 5 - H ARG 118 lone 2 61 - 4 - 10938/4.3=2 HB ILE 5 - H THR 9 lone 2 71 - 3 - ~10741=2 HG LEU 114 - H THR 9 lone 2 78 - 3 - 2.1/396=1 HG LEU 90 - H THR 9 lone 2 54 - 3 - 2.1/5803=1 HD2 LYS 115 - H THR 9 lone 1 78 - 2 - HD3 LYS 115 - H THR 9 lone 1 76 - 2 - HB ILE 5 - H LYS 65 lone 1 96 - 1 - HB2 ARG 30 - H LYS 65 lone 1 100 - 1 - HD3 LYS 49 - H LYS 65 lone 1 100 - 1 - HD2 LYS 49 - H LYS 65 lone 1 100 - 1 - HG LEU 90 - H ARG 118 lone 1 45 - 2 - HB2 GLU 52 - H LYS 65 lone 1 100 - 1 - HB2 ARG 30 - H ARG 118 lone 0 68 - 1 - HD3 LYS 49 - H THR 9 lone 0 79 - 0 - HD2 LYS 49 - H THR 9 lone 0 79 - 0 - HB2 ARG 30 - H THR 9 lone 0 79 - 0 - HB2 GLU 52 - H ARG 118 lone 0 67 - 0 - HB2 GLU 52 - H THR 9 lone 0 78 - 0 - HD2 LYS 49 - H ARG 118 lone 0 68 - 0 - HD3 LYS 49 - H ARG 118 lone 0 68 - 0 - Peak 1429 from nnoeabs.peaks (1.65, 8.04, 118.31 ppm; 3.43 A): 4 out of 36 assignments used, quality = 0.96: * HD3 LYS 65 + H LYS 65 OK 66 100 - 66 - 6.1=18, 3.0/1426=12...(17) HD2 LYS 65 + H LYS 65 OK 66 100 - 66 - 6.1=18, 3.0/1426=12...(17) HD2 LYS 115 + H LYS 65 OK 39 99 - 40 - 2.9/1426=6, 4.9/8261=4...(21) HD3 LYS 115 + H LYS 65 OK 38 96 - 40 - 2.9/1426=6, 4.9/8261=4...(19) HG LEU 64 - H LYS 65 OK 36 94 - 38 - 2.1/397=9, 3.0/393=9...(7) HG LEU 114 - H LYS 65 OK 16 100 - 16 - 3.7/2088=3, 2.1/396=3...(7) HG LEU 90 - H LYS 65 lone 8 87 - 10 - 2.1/5803=2, 2.1/5810=2...(4) HD2 LYS 115 - H ARG 118 poor 7 65 - 11 - 4.9/8261=6, 2.9/1426=1 HG LEU 114 - H ARG 118 poor 7 68 - 11 - 3.7/8259=3, 7619=1...(5) HD3 LYS 115 - H ARG 118 poor 7 61 - 11 - 4.9/8261=6, 2.9/1426=1 HG LEU 64 - H THR 9 lone 6 69 - 9 - 2.1/396=3, 2.1/397=2...(4) HG LEU 64 - H ARG 118 poor 6 59 - 10 - 5.2/1907=2, 3.0/393=1...(5) HD3 LYS 65 - H ARG 118 lone 3 68 - 5 - HD2 LYS 65 - H ARG 118 lone 3 67 - 4 - HB ILE 5 - H ARG 118 lone 3 65 - 4 - 10938/4.3=2 HD3 LYS 65 - H THR 9 lone 2 79 - 3 - HB ILE 5 - H THR 9 lone 2 76 - 3 - ~10741=2 HD2 LYS 65 - H THR 9 lone 2 78 - 3 - HG LEU 90 - H THR 9 lone 2 62 - 3 - 2.1/5803=1 HG LEU 114 - H THR 9 lone 2 79 - 3 - 2.1/396=1 HD2 LYS 115 - H THR 9 lone 1 76 - 2 - HB ILE 5 - H LYS 65 lone 1 99 - 1 - HD3 LYS 115 - H THR 9 lone 1 71 - 2 - HG LEU 90 - H ARG 118 lone 1 52 - 2 - HB2 ARG 30 - H LYS 65 lone 1 100 - 1 - HD2 LYS 49 - H LYS 65 lone 1 100 - 1 - HD3 LYS 49 - H LYS 65 lone 1 100 - 1 - HB2 GLU 52 - H LYS 65 lone 1 99 - 1 - HB2 ARG 30 - H ARG 118 lone 0 67 - 1 - HD3 LYS 49 - H THR 9 lone 0 78 - 0 - HD2 LYS 49 - H THR 9 lone 0 78 - 0 - HB2 ARG 30 - H THR 9 lone 0 78 - 0 - HD3 LYS 49 - H ARG 118 lone 0 67 - 0 - HD2 LYS 49 - H ARG 118 lone 0 67 - 0 - HB2 GLU 52 - H ARG 118 lone 0 65 - 0 - HB2 GLU 52 - H THR 9 lone 0 76 - 0 - Peak 1432 from nnoeabs.peaks (7.80, 7.80, 119.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 66 + H GLU 66 OK 100 100 - 100 Peak 1433 from nnoeabs.peaks (4.03, 7.80, 119.36 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 66 + H GLU 66 OK 100 100 - 100 - 2.9=100 Peak 1434 from nnoeabs.peaks (2.04, 7.80, 119.36 ppm; 3.19 A): 2 out of 17 assignments used, quality = 0.94: * HB2 GLU 66 + H GLU 66 OK 91 100 - 91 - 3.7=65, 1.8/4895=20...(19) HB3 MET 67 + H GLU 66 OK 35 94 - 37 - 4.0/408=16, 4.6/2094=9...(9) HB3 GLN 85 - H GLU 66 OK 14 100 - 14 - 4889=4, 1.8/1437=2...(4) HB2 GLU 89 - H GLU 66 OK 14 100 - 14 - 4889=3, 1.8/4889=3...(4) HB3 GLU 89 - H GLU 66 OK 14 100 - 14 - 4889=3, 1.8/4889=3...(4) HB3 GLU 87 - H GLU 66 lone 8 100 - 8 - 1.8/1435=2, ~5704=1 HB VAL 117 - H GLU 66 lone 6 97 - 6 - 7903/4.6=2, 4.4/1908=1 HB3 GLN 100 - H GLU 66 lone 5 96 - 6 - 4889=1, 410/4.7=1 HB2 GLU 92 - H GLU 66 lone 5 84 - 6 - 1.8/1435=1 HB3 GLU 98 - H GLU 66 lone 5 84 - 6 - HB2 MET 1 - H GLU 66 lone 2 92 - 2 - HB3 GLU 111 - H GLU 66 lone 1 70 - 1 - HB3 GLU 48 - H GLU 66 lone 1 100 - 1 - HB2 GLU 48 - H GLU 66 lone 1 100 - 1 - HG3 GLU 52 - H GLU 66 lone 1 99 - 1 - HB2 GLN 25 - H GLU 66 lone 1 61 - 1 - HB2 GLU 47 - H GLU 66 lone 1 73 - 1 - Peak 1435 from nnoeabs.peaks (2.09, 7.80, 119.36 ppm; 3.23 A): 2 out of 15 assignments used, quality = 0.93: * HB3 GLU 66 + H GLU 66 OK 91 100 - 91 - 3.7=68, 3.0/4901=18...(15) HB3 GLU 69 + H GLU 66 OK 29 99 - 29 - 4895=8, ~8133=5...(10) HB2 GLU 87 - H GLU 66 lone 9 100 - 10 - 5704/2.9=2, 1.8/1434=1 HB2 GLU 112 - H GLU 66 lone 9 94 - 9 - 4895=2, 1.8/4895=2 HB3 GLU 112 - H GLU 66 lone 8 92 - 9 - 4895=2, 1.8/4895=2 HB3 GLU 92 - H GLU 66 lone 5 81 - 6 - HB3 MET 121 - H GLU 66 lone 2 73 - 3 - 4.6/398=1 HB2 GLU 111 - H GLU 66 lone 2 98 - 2 - HG3 GLU 21 - H GLU 66 lone 1 90 - 1 - HG2 GLU 21 - H GLU 66 lone 1 84 - 1 - HB2 GLU 103 - H GLU 66 lone 1 98 - 1 - HG2 GLU 52 - H GLU 66 lone 1 97 - 1 - HB3 PHE 79 - H GLU 66 lone 1 65 - 1 - HG2 GLU 119 - H GLU 66 lone 1 70 - 1 - HB3 GLU 47 - H GLU 66 lone 0 70 - 1 - Peak 1436 from nnoeabs.peaks (2.39, 7.80, 119.36 ppm; 3.94 A): 2 out of 8 assignments used, quality = 0.97: * HG2 GLU 66 + H GLU 66 OK 94 100 - 94 - 4.9=53, 1.8/4907=33...(19) HG3 MET 67 + H GLU 66 OK 46 99 - 46 - 5.1/408=18, 3.0/1434=6...(15) HG3 GLN 85 - H GLU 66 OK 15 81 - 18 - 3.0/4889=3, 3.0/1437=2...(8) HG2 GLN 85 - H GLU 66 OK 13 73 - 18 - 3.0/4889=3, 3.0/1437=2...(8) HG2 GLN 122 - H GLU 66 poor 10 77 - 13 - 3.9/2092=3, ~10605=2...(5) HG2 GLU 98 - H GLU 66 lone 7 81 - 8 - 3.0/1437=1 HG2 GLN 25 - H GLU 66 lone 2 96 - 2 - HB3 TYR 27 - H GLU 66 lone 1 61 - 1 - Peak 1437 from nnoeabs.peaks (2.19, 7.80, 119.36 ppm; 3.87 A): 2 out of 10 assignments used, quality = 0.95: * HG3 GLU 66 + H GLU 66 OK 93 100 - 93 - 4.9=50, 1.8/4901=34...(17) HB2 MET 67 + H GLU 66 OK 37 73 - 50 - 4.0/408=24, 4.6/2094=14...(8) HB2 GLU 69 - H GLU 66 OK 25 81 - 32 - 8133/2.9=9, 1.8/4895=8...(9) HB2 GLN 85 - H GLU 66 OK 12 81 - 15 - 1.8/4889=4, 3.0/1436=2...(5) HB2 MET 42 - H GLU 66 lone 8 99 - 8 - 3.9/11316=3, 9385/9696=1 HB2 GLU 98 - H GLU 66 lone 7 96 - 7 - 4.0/2173=1, 1.8/1434=1 HB3 GLU 37 - H GLU 66 lone 3 87 - 4 - HB3 MET 1 - H GLU 66 lone 3 90 - 3 - HG2 GLU 48 - H GLU 66 lone 1 77 - 2 - HG3 GLN 28 - H GLU 66 lone 1 77 - 1 - Peak 1438 from nnoeabs.peaks (8.39, 8.39, 118.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H MET 67 + H MET 67 OK 100 100 - 100 Peak 1439 from nnoeabs.peaks (3.95, 8.39, 118.40 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 67 + H MET 67 OK 100 100 - 100 - 2.9=100 Peak 1440 from nnoeabs.peaks (2.20, 8.39, 118.40 ppm; 3.20 A): 4 out of 9 assignments used, quality = 0.91: * HB2 MET 67 + H MET 67 OK 76 100 - 76 - 4.0=49, 3.0/1442=18...(8) HG3 GLU 66 + H MET 67 OK 45 73 - 62 - 5.0=26, 3.0/411=14...(8) HB2 GLU 69 + H MET 67 OK 21 100 - 22 - 8133/3.6=7, 1.8/411=6...(5) HB2 GLN 100 + H MET 67 OK 16 97 - 16 - 11120/2.9=3, 1.8/1441=3...(6) HB2 MET 42 - H MET 67 lone 6 87 - 7 - 4.2/1444=2, ~8139=1 HB3 MET 1 - H MET 67 lone 2 99 - 2 - HG2 GLU 48 - H MET 67 lone 1 100 - 1 - HG3 GLN 28 - H MET 67 lone 1 100 - 1 - HB2 GLN 83 - H MET 67 lone 1 94 - 1 - Peak 1441 from nnoeabs.peaks (2.05, 8.39, 118.40 ppm; 3.08 A): 3 out of 17 assignments used, quality = 0.93: * HB3 MET 67 + H MET 67 OK 73 100 - 73 - 4.0=44, 3.0/1442=17...(9) HB2 GLU 66 + H MET 67 OK 68 94 - 73 - 4.1=43, 1.8/411=18...(9) HB3 GLN 100 + H MET 67 OK 15 100 - 15 - 1.8/1440=3, 11121/2.9=3...(5) HB3 GLN 85 - H MET 67 lone 7 94 - 8 - 3.0/1443=1, 1.8/413=1...(4) HB2 GLU 89 - H MET 67 lone 4 94 - 4 - 4889/4.7=1 HB3 GLU 89 - H MET 67 lone 4 94 - 4 - 4889/4.7=1 HB VAL 117 - H MET 67 lone 4 100 - 4 - HB3 GLU 87 - H MET 67 lone 3 94 - 4 - 1.8/411=1 HB2 GLU 92 - H MET 67 lone 3 99 - 3 - HB3 GLU 98 - H MET 67 lone 3 99 - 3 - HB2 GLU 47 - H MET 67 lone 1 97 - 1 - HG3 GLU 52 - H MET 67 lone 1 99 - 1 - HB2 MET 1 - H MET 67 lone 1 61 - 1 - HB2 GLU 48 - H MET 67 lone 1 94 - 1 - HB3 GLU 48 - H MET 67 lone 1 94 - 1 - HB2 GLU 13 - H MET 67 lone 1 77 - 1 - HB2 GLN 28 - H MET 67 lone 0 84 - 0 - Peak 1442 from nnoeabs.peaks (2.57, 8.39, 118.40 ppm; 3.86 A): 1 out of 4 assignments used, quality = 0.77: * HG2 MET 67 + H MET 67 OK 77 100 - 77 - 5.1=43, 3.3/4948=16...(9) HB3 ASP 60 - H MET 67 lone 5 100 - 5 - 9645/9701=2, 9643/9698=1 HE3 LYS 77 - H MET 67 lone 1 94 - 1 - HB3 ASP 86 - H MET 67 lone 1 100 - 1 - Peak 1443 from nnoeabs.peaks (2.40, 8.39, 118.40 ppm; 3.82 A): 2 out of 9 assignments used, quality = 0.97: * HG3 MET 67 + H MET 67 OK 85 100 - 85 - 5.1=42, 1.8/1442=33...(15) HG2 GLU 66 + H MET 67 OK 81 99 - 82 - 5.0=44, 3.0/411=19...(10) HG2 GLN 122 - H MET 67 OK 17 90 - 19 - 7933=4, 1.8/7934=3...(7) HG3 GLN 85 - H MET 67 OK 15 92 - 16 - 7933=3, 1.8/7933=2...(7) HG2 GLN 85 - H MET 67 OK 14 87 - 16 - 1.8/7933=3, 7933=3...(7) HG2 GLU 98 - H MET 67 lone 4 65 - 6 - HG3 GLN 62 - H MET 67 lone 2 70 - 3 - HG2 GLN 62 - H MET 67 lone 2 65 - 3 - HG2 GLN 25 - H MET 67 lone 2 87 - 2 - Peak 1444 from nnoeabs.peaks (1.88, 8.39, 118.40 ppm; 4.55 A): 2 out of 16 assignments used, quality = 0.96: * QE MET 67 + H MET 67 OK 92 100 - 92 - 6.2=39, 4949/2.9=34...(17) HB2 LEU 63 + H MET 67 OK 44 94 - 47 - 3.1/9701=9, 3.0/9698=9...(11) QE MET 42 - H MET 67 OK 34 81 - 42 - 9424/2.9=17, 9427/5.1=10...(11) HB ILE 71 - H MET 67 OK 16 73 - 22 - ~9783=7, 4933/4.0=5...(5) HG2 ARG 95 - H MET 67 OK 11 99 - 11 - 7791/4.7=4, 7970/3.6=3 HG LEU 45 - H MET 67 OK 11 100 - 11 - 4.9/2106=2, 2.1/9701=2...(4) HB3 ARG 118 - H MET 67 lone 8 94 - 9 - 3.0/2097=2, 4.1/2089=2 HB2 ARG 95 - H MET 67 poor 7 70 - 11 - 8201/3.6=3, 7789/4.7=2...(4) HB3 LYS 73 - H MET 67 lone 6 81 - 7 - 2.9/9698=2, 4919/2.9=1 HB2 LYS 73 - H MET 67 lone 5 77 - 7 - 2.9/9698=2, 4919/2.9=1 HB ILE 7 - H MET 67 lone 3 87 - 4 - HB2 LYS 16 - H MET 67 lone 3 100 - 3 - HB3 LYS 16 - H MET 67 lone 3 100 - 3 - HB3 LYS 20 - H MET 67 lone 2 92 - 3 - HB2 LYS 20 - H MET 67 lone 2 92 - 3 - HB2 LYS 49 - H MET 67 lone 1 61 - 1 - Peak 1445 from nnoeabs.peaks (8.47, 8.47, 118.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 68 + H LEU 68 OK 100 100 - 100 Peak 1446 from nnoeabs.peaks (3.78, 8.47, 118.27 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 68 + H LEU 68 OK 100 100 - 100 - 3.0=100 Peak 1447 from nnoeabs.peaks (1.75, 8.47, 118.27 ppm; 3.36 A): 1 out of 12 assignments used, quality = 0.90: * HB2 LEU 68 + H LEU 68 OK 90 100 - 90 - 4.0=58, 1.8/1448=28...(10) HD3 LYS 123 - H LEU 68 lone 9 100 - 9 - 2.9/1449=2, 11205/4.6=2...(4) HB2 LEU 114 - H LEU 68 lone 8 87 - 9 - 4962=3, 1.8/1448=2...(4) HB2 LEU 80 - H LEU 68 lone 6 98 - 6 - 9919/4.8=3, ~9759=2 HB3 LEU 82 - H LEU 68 lone 3 90 - 3 - 9966/4.0=2 HG2 ARG 118 - H LEU 68 lone 2 65 - 3 - 8125/8124=1 HB3 LYS 94 - H LEU 68 lone 2 87 - 2 - HB3 LYS 49 - H LEU 68 lone 1 96 - 1 - HG3 ARG 105 - H LEU 68 lone 1 99 - 1 - HG2 LYS 17 - H LEU 68 lone 1 96 - 1 - HB2 LEU 55 - H LEU 68 lone 1 81 - 1 - HG12 ILE 18 - H LEU 68 lone 0 65 - 1 - Peak 1448 from nnoeabs.peaks (1.38, 8.47, 118.27 ppm; 3.58 A): 1 out of 7 assignments used, quality = 0.94: * HB3 LEU 68 + H LEU 68 OK 94 100 - 94 - 4.0=70, 1.8/4962=30...(10) HB3 LEU 114 - H LEU 68 lone 6 73 - 8 - 1.8/4962=2, 8127/8124=2 HG LEU 14 - H LEU 68 lone 2 100 - 2 - HG2 LYS 94 - H LEU 68 lone 2 87 - 2 - HG2 LYS 40 - H LEU 68 lone 2 100 - 2 - HG3 LYS 43 - H LEU 68 lone 1 90 - 2 - HG3 LYS 16 - H LEU 68 lone 1 77 - 2 - Peak 1449 from nnoeabs.peaks (1.59, 8.47, 118.27 ppm; 3.29 A): 2 out of 11 assignments used, quality = 0.84: * HG LEU 68 + H LEU 68 OK 82 100 - 82 - 4976=28, 2.1/1450=25...(12) HB3 LEU 70 + H LEU 68 OK 11 65 - 17 - 3.8/2111=11, 8141/3.6=5 HG2 LYS 123 - H LEU 68 poor 9 84 - 11 - 3.9/2100=2, 2.9/1447=2...(6) HG2 LYS 73 - H LEU 68 lone 7 94 - 8 - 4.9/2104=2, 5153/2111=1 HG LEU 82 - H LEU 68 lone 2 92 - 2 - HG2 LYS 44 - H LEU 68 lone 2 98 - 2 - HG12 ILE 116 - H LEU 68 lone 2 99 - 2 - HG3 LYS 96 - H LEU 68 lone 1 65 - 1 - HD3 LYS 19 - H LEU 68 lone 1 98 - 1 - HD2 LYS 19 - H LEU 68 lone 1 98 - 1 - HG3 LYS 19 - H LEU 68 lone 1 96 - 1 - Peak 1450 from nnoeabs.peaks (0.51, 8.47, 118.27 ppm; 3.90 A): 1 out of 1 assignment used, quality = 0.96: * QD1 LEU 68 + H LEU 68 OK 96 100 - 96 - 4.8=54, 2.1/1451=34...(13) Peak 1451 from nnoeabs.peaks (0.38, 8.47, 118.27 ppm; 4.03 A): 1 out of 1 assignment used, quality = 0.97: * QD2 LEU 68 + H LEU 68 OK 97 100 - 97 - 4.8=60, 2.1/1450=37...(11) Peak 1452 from nnoeabs.peaks (7.63, 7.63, 118.68 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H GLU 69 + H GLU 69 OK 100 100 - 100 H ALA 46 + H ALA 46 OK 61 61 - 100 Peak 1453 from nnoeabs.peaks (4.05, 7.63, 118.68 ppm; 3.14 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 69 + H GLU 69 OK 100 100 - 100 - 2.9=100 Peak 1454 from nnoeabs.peaks (2.20, 7.63, 118.68 ppm; 3.11 A): 4 out of 18 assignments used, quality = 0.88: * HB2 GLU 69 + H GLU 69 OK 76 100 - 76 - 4.0=45, 1.8/1455=14...(13) HB2 MET 67 + H GLU 69 OK 27 100 - 27 - 4.6/421=11, 3.0/2105=7...(5) HG3 GLU 66 + H GLU 69 OK 18 81 - 23 - 3.7/2107=6, 3.0/1455=4...(8) HB2 GLN 100 + H GLU 69 OK 11 94 - 12 - 3.0/1457=3, 5003=2, 3.0/6277=2 HB2 GLU 69 - H ALA 46 poor 9 72 - 12 - 3.0/5021=2, 5003=2...(7) HB2 MET 67 - H ALA 46 lone 4 71 - 5 - 4.6/421=1, 3.0/2105=1 HB2 MET 42 - H ALA 46 lone 3 61 - 5 - 3.0/8082=4 HB2 MET 42 - H GLU 69 lone 3 92 - 3 - 430/4.6=1 HG3 GLU 66 - H ALA 46 lone 2 51 - 4 - HB3 MET 1 - H GLU 69 lone 1 100 - 1 - HB2 GLN 100 - H ALA 46 lone 1 63 - 2 - HG2 GLU 48 - H ALA 46 lone 1 72 - 1 - 4.0/2071=1 HG2 GLU 48 - H GLU 69 lone 1 100 - 1 - HG3 GLN 28 - H GLU 69 lone 1 100 - 1 - HB2 GLN 83 - H GLU 69 lone 1 90 - 1 - HG3 GLN 28 - H ALA 46 lone 0 72 - 0 - HB3 MET 1 - H ALA 46 lone 0 71 - 0 - HB2 GLN 83 - H ALA 46 lone 0 58 - 0 - Peak 1455 from nnoeabs.peaks (2.09, 7.63, 118.68 ppm; 3.26 A): 2 out of 30 assignments used, quality = 0.87: * HB3 GLU 69 + H GLU 69 OK 81 100 - 81 - 4.0=52, 1.8/1454=18...(10) HB3 GLU 66 + H GLU 69 OK 29 99 - 30 - 3.0/2107=9, 5010/2.9=4...(10) HB2 GLU 87 - H ALA 46 poor 10 69 - 14 - 11299/2.9=6, ~11300=3...(4) HB3 GLU 69 - H ALA 46 poor 9 72 - 13 - 3.0/5021=2, 7650/4.6=2...(7) HB2 GLU 112 - H GLU 69 lone 8 99 - 8 - 5009=1, 5010/2.9=1, 3.0/8244=1 HB3 GLU 112 - H GLU 69 lone 8 98 - 8 - 5009=1, 5010/2.9=1...(4) HB3 GLU 92 - H GLU 69 poor 7 65 - 11 - 3.0/2107=3, 3.0/1456=2...(4) HB2 GLU 111 - H GLU 69 lone 6 92 - 6 - 3.0/1456=2, 3.0/1456=1 HB3 GLU 66 - H ALA 46 lone 4 70 - 6 - 3.0/2107=1 HB2 LYS 94 - H GLU 69 lone 3 61 - 6 - 3.9/2109=1, 1.8/423=1 HB2 LYS 94 - H ALA 46 lone 3 37 - 7 - 4.4/271=2, 9459/2.9=1, 1.8/423=1 HB2 GLU 87 - H GLU 69 lone 2 99 - 2 - HB3 PHE 79 - H GLU 69 lone 2 81 - 2 - HB3 PHE 79 - H ALA 46 lone 1 51 - 3 - ~9452=2 HB3 MET 121 - H GLU 69 lone 1 87 - 1 - HB2 GLU 112 - H ALA 46 lone 1 69 - 2 - HB3 GLU 112 - H ALA 46 lone 1 68 - 2 - HG2 GLU 119 - H GLU 69 lone 1 84 - 1 - HG3 GLU 21 - H GLU 69 lone 1 77 - 1 - HB2 GLU 103 - H GLU 69 lone 1 100 - 1 - HG2 GLU 21 - H GLU 69 lone 1 70 - 1 - HB2 GLU 111 - H ALA 46 lone 1 61 - 1 - HB3 MET 121 - H ALA 46 lone 1 56 - 1 - HB3 GLU 92 - H ALA 46 lone 1 40 - 1 - HG2 GLU 52 - H GLU 69 lone 0 90 - 0 - HB2 GLU 103 - H ALA 46 lone 0 71 - 1 - HG2 GLU 119 - H ALA 46 lone 0 53 - 1 - HG3 GLU 21 - H ALA 46 lone 0 48 - 0 - HG2 GLU 52 - H ALA 46 lone 0 58 - 0 - HG2 GLU 21 - H ALA 46 lone 0 43 - 0 - Peak 1456 from nnoeabs.peaks (2.27, 7.63, 118.68 ppm; 3.87 A): 6 out of 20 assignments used, quality = 0.94: * HG2 GLU 69 + H GLU 69 OK 87 100 - 87 - 5.1=43, 1.8/1457=26...(11) HG3 GLU 92 + H GLU 69 OK 18 96 - 19 - 4.0/2107=4, 5015=3...(9) HG3 GLU 111 + H GLU 69 OK 16 99 - 16 - 5015=3, 5007/4.0=2...(7) HB2 GLU 37 + H GLU 69 OK 12 99 - 12 - 3.0/1457=2, 4.7/11315=2 HG2 GLU 69 + H ALA 46 OK 12 72 - 16 - 1.8/5021=4, 7651/4.6=3...(6) HG2 GLU 111 + H GLU 69 OK 10 81 - 13 - 1.8/5015=3, 5015=2...(7) HG2 GLU 89 - H GLU 69 lone 4 92 - 5 - HB3 ASN 8 - H GLU 69 lone 3 100 - 3 - 11393/4786=1 HB2 GLU 37 - H ALA 46 lone 3 70 - 4 - HG3 GLU 111 - H ALA 46 lone 2 70 - 3 - HG3 GLU 92 - H ALA 46 lone 1 65 - 2 - HG3 GLU 91 - H ALA 46 lone 1 51 - 3 - HG3 GLU 91 - H GLU 69 lone 1 81 - 2 - HB2 MET 121 - H GLU 69 lone 1 70 - 2 - HG2 GLU 111 - H ALA 46 lone 1 51 - 2 - HG2 GLU 89 - H ALA 46 lone 1 61 - 2 - HG2 GLU 103 - H GLU 69 lone 1 70 - 1 - HB3 ASN 8 - H ALA 46 lone 1 72 - 1 - HB2 MET 121 - H ALA 46 lone 1 43 - 1 - HG2 GLU 103 - H ALA 46 lone 0 43 - 1 - Peak 1457 from nnoeabs.peaks (2.44, 7.63, 118.68 ppm; 3.60 A): 3 out of 10 assignments used, quality = 0.85: * HG3 GLU 69 + H GLU 69 OK 80 100 - 80 - 5.1=35, 5022/2.9=24...(10) HG2 GLN 100 + H GLU 69 OK 18 99 - 18 - 6269=5, 1.8/6277=3...(7) HG3 GLU 69 + H ALA 46 OK 11 72 - 15 - 5021=5, 7652/4.6=3...(6) HG2 GLU 37 - H GLU 69 lone 8 99 - 8 - 3505/2.9=2, 3.0/1456=2 HG3 GLU 98 - H GLU 69 lone 4 100 - 4 - HG2 GLU 37 - H ALA 46 lone 2 69 - 3 - HG2 MET 1 - H GLU 69 lone 1 96 - 1 - HG2 GLN 100 - H ALA 46 lone 1 70 - 2 - HG3 GLU 98 - H ALA 46 lone 1 72 - 1 - HG2 MET 1 - H ALA 46 lone 0 65 - 0 - Peak 1458 from nnoeabs.peaks (7.72, 7.72, 119.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 70 + H LEU 70 OK 100 100 - 100 Peak 1459 from nnoeabs.peaks (4.16, 7.72, 119.50 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 70 + H LEU 70 OK 100 100 - 100 - 3.0=100 Peak 1460 from nnoeabs.peaks (1.94, 7.72, 119.50 ppm; 3.34 A): 2 out of 17 assignments used, quality = 0.91: * HB2 LEU 70 + H LEU 70 OK 90 100 - 90 - 3.8=68, 1.8/1461=25...(13) HB2 LYS 123 + H LEU 70 OK 10 96 - 11 - 2.9/1461=2, 436/4.6=2...(5) HB2 LYS 65 - H LEU 70 lone 9 96 - 9 - 3.0/2110=3, 4.0/2114=2 HB3 LYS 65 - H LEU 70 lone 8 94 - 9 - 3.0/2110=3, 4.0/2114=2 HB3 MET 42 - H LEU 70 lone 8 96 - 8 - 1.8/430=4, 4.2/9407=3 HB2 LEU 127 - H LEU 70 lone 6 94 - 6 - 3.0/1462=2, 5034=1 HB3 LYS 115 - H LEU 70 lone 4 96 - 4 - HB2 LYS 115 - H LEU 70 lone 3 81 - 4 - HB3 LYS 40 - H LEU 70 lone 2 100 - 2 - 8046/3.6=1 HB3 GLU 128 - H LEU 70 lone 1 87 - 1 - HB VAL 104 - H LEU 70 lone 1 99 - 1 - HB2 LYS 39 - H LEU 70 lone 1 96 - 1 - HB3 LYS 39 - H LEU 70 lone 1 98 - 1 - HB VAL 29 - H LEU 70 lone 1 90 - 1 - HB3 GLU 52 - H LEU 70 lone 1 92 - 1 - HB3 GLU 41 - H LEU 70 lone 1 97 - 1 - HB2 GLU 41 - H LEU 70 lone 1 96 - 1 - Peak 1461 from nnoeabs.peaks (1.57, 7.72, 119.50 ppm; 3.34 A): 3 out of 12 assignments used, quality = 0.93: * HB3 LEU 70 + H LEU 70 OK 90 100 - 90 - 3.8=68, 1.8/1460=22...(13) HG LEU 68 + H LEU 70 OK 14 65 - 21 - 5.3/2111=8, 3.7/2110=7...(6) HG2 LYS 123 + H LEU 70 OK 11 99 - 11 - 437/4.6=2, 2.9/1462=2...(4) HG2 LYS 115 - H LEU 70 lone 4 94 - 4 - HG3 LYS 96 - H LEU 70 lone 4 100 - 4 - HG2 LYS 44 - H LEU 70 lone 2 87 - 2 - HG12 ILE 116 - H LEU 70 lone 1 81 - 2 - HB VAL 78 - H LEU 70 lone 1 84 - 1 - HG12 ILE 3 - H LEU 70 lone 1 94 - 1 - HD3 LYS 106 - H LEU 70 lone 1 96 - 1 - HD2 LYS 106 - H LEU 70 lone 1 94 - 1 - HG LEU 55 - H LEU 70 lone 1 99 - 1 - Peak 1462 from nnoeabs.peaks (1.85, 7.72, 119.50 ppm; 3.26 A): 2 out of 9 assignments used, quality = 0.83: * HG LEU 70 + H LEU 70 OK 81 100 - 81 - 4.8=30, 5031/3.0=17...(12) QE MET 42 + H LEU 70 OK 10 65 - 15 - 438/4.6=3, 9430/4.8=2...(7) HD2 LYS 123 - H LEU 70 lone 8 99 - 8 - 2.9/1461=2, 438/4.6=2...(4) HG LEU 127 - H LEU 70 lone 7 92 - 7 - 5048=2, 5031/3.0=1...(4) QE MET 121 - H LEU 70 lone 1 65 - 1 - HB2 LYS 77 - H LEU 70 lone 1 99 - 1 - HB3 LYS 77 - H LEU 70 lone 1 97 - 1 - HB2 ARG 105 - H LEU 70 lone 0 94 - 1 - HB3 LYS 19 - H LEU 70 lone 0 81 - 0 - Peak 1463 from nnoeabs.peaks (0.91, 7.72, 119.50 ppm; 3.46 A): 2 out of 7 assignments used, quality = 0.99: * QD1 LEU 70 + H LEU 70 OK 90 100 - 90 - 4.8=38, 2.1/1462=26...(13) QD2 LEU 70 + H LEU 70 OK 89 100 - 89 - 4.8=38, 5063/3.0=28...(13) QD2 LEU 38 - H LEU 70 lone 3 70 - 5 - HG13 ILE 97 - H LEU 70 lone 2 61 - 4 - 4.0/2112=3 QD1 LEU 90 - H LEU 70 lone 2 100 - 2 - HG13 ILE 54 - H LEU 70 lone 1 99 - 1 - QG2 VAL 29 - H LEU 70 lone 1 92 - 1 - Peak 1464 from nnoeabs.peaks (0.90, 7.72, 119.50 ppm; 3.46 A): 2 out of 7 assignments used, quality = 0.99: QD1 LEU 70 + H LEU 70 OK 89 100 - 90 - 4.8=38, 2.1/1462=26...(13) * QD2 LEU 70 + H LEU 70 OK 89 100 - 89 - 4.8=38, 5063/3.0=28...(13) QD2 LEU 38 - H LEU 70 lone 4 81 - 5 - 11001/4.6=1 QD1 LEU 90 - H LEU 70 lone 2 100 - 2 - HG13 ILE 54 - H LEU 70 lone 1 96 - 1 - QG2 VAL 29 - H LEU 70 lone 1 97 - 1 - QG2 VAL 104 - H LEU 70 lone 1 61 - 1 - Peak 1465 from nnoeabs.peaks (8.60, 8.60, 116.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 71 + H ILE 71 OK 100 100 - 100 Peak 1466 from nnoeabs.peaks (3.74, 8.60, 116.79 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 71 + H ILE 71 OK 100 100 - 100 - 3.0=100 Peak 1467 from nnoeabs.peaks (1.90, 8.60, 116.79 ppm; 3.40 A): 4 out of 21 assignments used, quality = 0.92: * HB ILE 71 + H ILE 71 OK 85 100 - 85 - 3.9=64, 3.0/1470=19...(9) HB2 LYS 73 + H ILE 71 OK 23 100 - 23 - 4.0/2125=8, 8160/3.6=7...(7) HB3 LYS 73 + H ILE 71 OK 23 100 - 23 - 4.0/2125=8, 8160/3.6=7...(7) HB3 LYS 123 + H ILE 71 OK 11 65 - 16 - 1.8/436=4, 2.9/437=3...(5) QE MET 67 - H ILE 71 poor 8 73 - 11 - 5.4/8143=5, 9726/5.0=3 HB2 LYS 96 - H ILE 71 lone 5 99 - 5 - 2.9/437=1 HB2 LEU 45 - H ILE 71 lone 4 96 - 4 - ~9773=2 HB3 LYS 44 - H ILE 71 lone 3 92 - 3 - HB3 LYS 20 - H ILE 71 lone 3 98 - 3 - HB2 LYS 20 - H ILE 71 lone 3 98 - 3 - HG LEU 45 - H ILE 71 lone 3 81 - 3 - ~9773=1 HB2 ARG 95 - H ILE 71 lone 3 100 - 3 - HB2 LYS 44 - H ILE 71 lone 2 77 - 3 - HB3 LYS 43 - H ILE 71 lone 2 99 - 2 - HB2 LYS 49 - H ILE 71 lone 1 100 - 1 - HB2 LYS 43 - H ILE 71 lone 1 90 - 1 - HB2 GLU 128 - H ILE 71 lone 1 99 - 1 - HB3 LYS 16 - H ILE 71 lone 1 77 - 1 - HB2 LYS 16 - H ILE 71 lone 1 73 - 1 - HB ILE 7 - H ILE 71 lone 1 99 - 1 - HB ILE 15 - H ILE 71 lone 1 61 - 1 - Peak 1468 from nnoeabs.peaks (0.82, 8.60, 116.79 ppm; 3.75 A): 3 out of 7 assignments used, quality = 0.99: * QG2 ILE 71 + H ILE 71 OK 94 100 - 94 - 4.0=81, 3.2/1470=23...(11) QD1 LEU 74 + H ILE 71 OK 57 100 - 57 - 9819/3.0=23, ~11347=13...(10) QD2 LEU 74 + H ILE 71 OK 56 100 - 56 - 11347/3.0=21, ~9819=14...(9) QD1 LEU 64 - H ILE 71 OK 12 100 - 12 - 9694/3.0=5, 4.7/1914=2 QD1 LEU 114 - H ILE 71 lone 4 87 - 5 - 9694/3.0=2, 2.1/1471=1 QD2 LEU 82 - H ILE 71 lone 2 96 - 2 - QG1 VAL 29 - H ILE 71 lone 1 70 - 1 - Peak 1469 from nnoeabs.peaks (1.69, 8.60, 116.79 ppm; 3.70 A): 3 out of 24 assignments used, quality = 0.94: * HG12 ILE 71 + H ILE 71 OK 85 100 - 85 - 4.6=52, 1.8/1470=30...(9) HG LEU 74 + H ILE 71 OK 49 92 - 53 - ~9819=13, ~11347=12...(8) HG3 LYS 123 + H ILE 71 OK 25 99 - 26 - 10612/4.0=8, 1.8/437=5...(8) HD2 LYS 73 - H ILE 71 OK 23 94 - 25 - 11077/3.6=6, 6.4/2125=6...(9) HD3 LYS 73 - H ILE 71 OK 22 92 - 25 - 11077/3.6=6, 6.4/2125=6...(9) HD3 LYS 96 - H ILE 71 lone 5 90 - 6 - 3.0/437=1 HD2 LYS 96 - H ILE 71 lone 5 84 - 5 - 3.0/437=1 HD2 LYS 20 - H ILE 71 lone 4 98 - 4 - HD3 LYS 20 - H ILE 71 lone 4 97 - 4 - HG3 LYS 39 - H ILE 71 lone 4 99 - 4 - HD2 LYS 44 - H ILE 71 lone 4 97 - 4 - HB ILE 56 - H ILE 71 lone 3 99 - 4 - 4466/5.0=1, 3.2/1471=1 HD3 LYS 44 - H ILE 71 lone 3 94 - 4 - HD3 LYS 43 - H ILE 71 lone 2 92 - 2 - HD3 LYS 16 - H ILE 71 lone 2 99 - 2 - HD3 LYS 39 - H ILE 71 lone 2 90 - 2 - HD2 LYS 16 - H ILE 71 lone 2 96 - 2 - HD2 LYS 39 - H ILE 71 lone 2 87 - 2 - HD2 LYS 17 - H ILE 71 lone 2 84 - 2 - HB ILE 54 - H ILE 71 lone 2 87 - 2 - HD2 LYS 43 - H ILE 71 lone 2 77 - 2 - HG3 ARG 95 - H ILE 71 lone 2 65 - 2 - HD2 LYS 40 - H ILE 71 lone 1 87 - 1 - HD3 LYS 40 - H ILE 71 lone 1 84 - 1 - Peak 1470 from nnoeabs.peaks (1.02, 8.60, 116.79 ppm; 3.91 A): 1 out of 5 assignments used, quality = 0.87: * HG13 ILE 71 + H ILE 71 OK 87 100 - 87 - 4.6=62, 2.1/1471=26...(9) QD1 LEU 127 - H ILE 71 lone 6 92 - 6 - 10653/3.6=2, 2.1/438=2 HG12 ILE 97 - H ILE 71 lone 3 61 - 5 - 4.0/2118=3, 9758/2117=1 HG2 LYS 61 - H ILE 71 lone 1 97 - 1 - HG3 LYS 2 - H ILE 71 lone 1 84 - 1 - Peak 1471 from nnoeabs.peaks (0.65, 8.60, 116.79 ppm; 4.09 A): 1 out of 7 assignments used, quality = 0.89: * QD1 ILE 71 + H ILE 71 OK 89 100 - 89 - 5.0=55, 2.1/1470=33...(11) QD1 LEU 4 - H ILE 71 lone 7 87 - 9 - 5089/4.0=4, 10735/4.6=1 QD1 ILE 56 - H ILE 71 lone 5 97 - 5 - 5089/4.0=2 QD2 LEU 114 - H ILE 71 lone 4 73 - 5 - ~9694=1, 447/4.7=1 QG1 VAL 22 - H ILE 71 lone 2 73 - 3 - 447/4.7=1 QD1 ILE 54 - H ILE 71 lone 2 61 - 3 - HG13 ILE 15 - H ILE 71 lone 1 65 - 2 - Peak 1472 from nnoeabs.peaks (8.02, 8.02, 116.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 72 + H SER 72 OK 100 100 - 100 Peak 1473 from nnoeabs.peaks (4.37, 8.02, 116.52 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 72 + H SER 72 OK 100 100 - 100 - 2.9=100 Peak 1474 from nnoeabs.peaks (4.12, 8.02, 116.52 ppm; 3.33 A): 2 out of 8 assignments used, quality = 0.87: HB3 SER 72 + H SER 72 OK 64 100 - 64 - 4.0=57, 4.6/448=12, 8153/2122=2 * HB2 SER 72 + H SER 72 OK 64 100 - 64 - 4.0=57, 4.6/448=12, 8153/2122=2 HA VAL 22 - H SER 72 lone 4 92 - 4 - ~9808=2 HA LEU 63 - H SER 72 lone 2 87 - 2 - HA GLN 122 - H SER 72 lone 2 84 - 2 - HA GLN 62 - H SER 72 lone 1 70 - 1 - HA3 GLY 26 - H SER 72 lone 1 99 - 1 - HA MET 1 - H SER 72 lone 0 99 - 0 - Peak 1475 from nnoeabs.peaks (4.12, 8.02, 116.52 ppm; 3.33 A): 2 out of 8 assignments used, quality = 0.87: * HB3 SER 72 + H SER 72 OK 64 100 - 64 - 4.0=57, 4.6/448=12, 8153/2122=2 HB2 SER 72 + H SER 72 OK 64 100 - 64 - 4.0=57, 4.6/448=12, 8153/2122=2 HA VAL 22 - H SER 72 lone 4 92 - 4 - ~9808=2 HA LEU 63 - H SER 72 lone 2 87 - 2 - HA GLN 122 - H SER 72 lone 2 84 - 2 - HA GLN 62 - H SER 72 lone 1 70 - 1 - HA3 GLY 26 - H SER 72 lone 1 99 - 1 - HA MET 1 - H SER 72 lone 0 99 - 0 - Peak 1476 from nnoeabs.peaks (7.72, 7.72, 120.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 73 + H LYS 73 OK 100 100 - 100 Peak 1477 from nnoeabs.peaks (4.29, 7.72, 120.73 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 73 + H LYS 73 OK 100 100 - 100 - 3.0=100 Peak 1478 from nnoeabs.peaks (1.90, 7.72, 120.73 ppm; 3.40 A): 2 out of 21 assignments used, quality = 0.97: * HB2 LYS 73 + H LYS 73 OK 83 100 - 83 - 4.0=63, 2.9/1480=19...(12) HB3 LYS 73 + H LYS 73 OK 83 100 - 83 - 4.0=63, 2.9/1480=19...(12) HB ILE 71 - H LYS 73 OK 38 100 - 38 - 4.5/448=14, 3.0/2124=11...(6) HB3 LYS 20 - H LYS 73 OK 15 99 - 16 - 2.9/1481=3, 5143=2...(6) HB2 LYS 20 - H LYS 73 OK 15 99 - 16 - 2.9/1481=3, 5143=2...(6) HB2 LEU 45 - H LYS 73 OK 14 94 - 15 - 3.0/2126=4, 1.8/1481=3...(5) HB3 LYS 44 - H LYS 73 OK 11 90 - 12 - 3.0/2127=5, 2.9/1480=2...(4) HG LEU 45 - H LYS 73 poor 10 84 - 11 - 4.3/2126=3, 3.0/1481=2 HB2 LYS 44 - H LYS 73 poor 9 73 - 12 - 3.0/2127=5, 2.9/1480=2 HB2 LYS 96 - H LYS 73 lone 6 98 - 6 - 3.0/2127=1 HB3 LYS 43 - H LYS 73 lone 6 98 - 6 - HB3 LYS 16 - H LYS 73 lone 6 81 - 7 - 4.0/452=4 HB2 LYS 16 - H LYS 73 lone 6 77 - 7 - 4.0/452=4 HB2 LYS 43 - H LYS 73 lone 5 87 - 6 - HB2 ARG 95 - H LYS 73 lone 4 100 - 4 - 3.0/2126=1 QE MET 67 - H LYS 73 lone 3 77 - 4 - 5.4/8138=2 HG2 ARG 95 - H LYS 73 lone 2 61 - 3 - HB3 LYS 123 - H LYS 73 lone 2 61 - 3 - HB2 GLU 128 - H LYS 73 lone 1 98 - 1 - HB2 LYS 49 - H LYS 73 lone 1 99 - 1 - HB ILE 7 - H LYS 73 lone 1 100 - 1 - Peak 1479 from nnoeabs.peaks (1.89, 7.72, 120.73 ppm; 3.40 A): 2 out of 20 assignments used, quality = 0.97: * HB3 LYS 73 + H LYS 73 OK 83 100 - 83 - 4.0=63, 2.9/1480=19...(12) HB2 LYS 73 + H LYS 73 OK 83 100 - 83 - 4.0=63, 2.9/1480=19...(12) HB ILE 71 - H LYS 73 OK 38 100 - 38 - 4.5/448=14, 3.0/2124=11...(6) HB3 LYS 20 - H LYS 73 OK 15 99 - 16 - 2.9/1481=3, 5143=2...(6) HB2 LYS 20 - H LYS 73 OK 15 99 - 16 - 2.9/1481=3, 5143=2...(6) HB2 LEU 45 - H LYS 73 OK 13 92 - 15 - 3.0/2126=4, 1.8/1481=3...(5) HB3 LYS 44 - H LYS 73 OK 11 87 - 12 - 3.0/2127=5, 2.9/1480=2...(4) HG LEU 45 - H LYS 73 poor 10 87 - 11 - 4.3/2126=3, 3.0/1481=2 HB2 LYS 44 - H LYS 73 poor 8 70 - 12 - 3.0/2127=5, 2.9/1480=2 HB2 LYS 96 - H LYS 73 lone 6 97 - 6 - 3.0/2127=1 HB3 LYS 16 - H LYS 73 lone 6 84 - 7 - 4.0/452=4 HB3 LYS 43 - H LYS 73 lone 6 97 - 6 - HB2 LYS 16 - H LYS 73 lone 6 81 - 7 - 4.0/452=4 HB2 LYS 43 - H LYS 73 lone 5 84 - 6 - HB2 ARG 95 - H LYS 73 lone 4 100 - 4 - 3.0/2126=1 QE MET 67 - H LYS 73 lone 3 81 - 4 - 5.4/8138=2 HG2 ARG 95 - H LYS 73 lone 2 65 - 3 - HB2 LYS 49 - H LYS 73 lone 1 99 - 1 - HB2 GLU 128 - H LYS 73 lone 1 97 - 1 - HB ILE 7 - H LYS 73 lone 1 100 - 1 - Peak 1480 from nnoeabs.peaks (1.60, 7.72, 120.73 ppm; 3.65 A): 1 out of 9 assignments used, quality = 0.75: * HG2 LYS 73 + H LYS 73 OK 75 100 - 75 - 4.9=42, 1.8/1481=16...(15) HG2 LYS 44 - H LYS 73 poor 9 77 - 12 - 4.2/2127=4, 5153=2, 2.9/1478=1 HG LEU 68 - H LYS 73 lone 7 94 - 7 - 3.7/8144=3, 5.3/2104=2 HG LEU 82 - H LYS 73 lone 2 100 - 2 - HG3 LYS 19 - H LYS 73 lone 2 100 - 2 - HD3 LYS 19 - H LYS 73 lone 1 100 - 1 - HD2 LYS 19 - H LYS 73 lone 1 100 - 1 - HB3 LEU 127 - H LYS 73 lone 1 73 - 2 - HG12 ILE 116 - H LYS 73 lone 1 84 - 1 - Peak 1481 from nnoeabs.peaks (1.48, 7.72, 120.73 ppm; 4.04 A): 3 out of 11 assignments used, quality = 0.94: * HG3 LYS 73 + H LYS 73 OK 89 100 - 89 - 4.9=57, 1.8/1480=32...(16) HB2 LEU 74 + H LYS 73 OK 30 87 - 35 - 3.8/452=18, 3.1/9814=5...(7) HG3 LYS 20 + H LYS 73 OK 24 100 - 24 - 5128/3.0=5, 3.0/1483=2...(10) HB3 LEU 45 - H LYS 73 OK 19 96 - 20 - 3.0/2126=5, 4.0/11318=4...(7) HG3 ARG 118 - H LYS 73 lone 2 99 - 2 - HB3 LEU 38 - H LYS 73 lone 2 70 - 2 - HD2 LYS 53 - H LYS 73 lone 1 100 - 1 - HG12 ILE 57 - H LYS 73 lone 1 65 - 1 - HG2 ARG 30 - H LYS 73 lone 1 61 - 1 - HG2 LYS 106 - H LYS 73 lone 1 65 - 1 - HG12 ILE 7 - H LYS 73 lone 1 61 - 1 - Peak 1482 from nnoeabs.peaks (1.68, 7.72, 120.73 ppm; 4.12 A): 2 out of 22 assignments used, quality = 0.96: * HD2 LYS 73 + H LYS 73 OK 80 100 - 80 - 3.0/1480=26, 6.4=26...(18) HD3 LYS 73 + H LYS 73 OK 80 100 - 80 - 3.0/1480=26, 6.4=26...(18) HG12 ILE 71 - H LYS 73 OK 40 94 - 43 - 3.9/2124=16, 4.6/2125=11...(8) HD3 LYS 20 - H LYS 73 OK 29 100 - 29 - 3.0/1481=4, 5174/3.0=3...(15) HD2 LYS 20 - H LYS 73 OK 29 100 - 30 - 3.0/1481=4, 5174/3.0=3...(15) HG LEU 74 - H LYS 73 OK 22 61 - 35 - 4.9/452=14, 2.1/9814=7...(8) HD3 LYS 43 - H LYS 73 OK 21 100 - 21 - 5184/3.0=3, 5183=2...(12) HD2 LYS 43 - H LYS 73 OK 20 98 - 21 - 5184/3.0=3, 5183=2...(12) HD3 LYS 96 - H LYS 73 OK 12 100 - 12 - 5.3/2127=1, 5184/3.0=1, 5183=1 HD2 LYS 96 - H LYS 73 OK 12 99 - 12 - 5.3/2127=1, 5184/3.0=1, 5183=1 HD2 LYS 44 - H LYS 73 poor 9 73 - 12 - 5.4/2127=4, 2.9/1480=3 HD2 LYS 16 - H LYS 73 lone 9 100 - 9 - 6.1/452=3, 2770/4.6=1 HD3 LYS 16 - H LYS 73 lone 8 99 - 8 - 6.1/452=3, 2770/4.6=1 HD3 LYS 44 - H LYS 73 poor 8 65 - 12 - 5.4/2127=4, 2.9/1480=3 HG3 LYS 123 - H LYS 73 lone 7 81 - 9 - 4.7/2125=1, 445/4.6=1...(4) HG3 ARG 95 - H LYS 73 lone 6 94 - 6 - 4.1/2126=1 HD2 LYS 40 - H LYS 73 lone 6 100 - 6 - HD3 LYS 40 - H LYS 73 lone 6 99 - 5 - HG3 LYS 39 - H LYS 73 lone 4 81 - 5 - 10935/4.6=1, 10935/4.6=1 HD2 LYS 17 - H LYS 73 lone 2 99 - 2 - HB ILE 56 - H LYS 73 lone 1 99 - 1 - HB ILE 54 - H LYS 73 lone 1 100 - 1 - Peak 1483 from nnoeabs.peaks (1.68, 7.72, 120.73 ppm; 4.12 A): 2 out of 21 assignments used, quality = 0.96: HD2 LYS 73 + H LYS 73 OK 80 100 - 80 - 3.0/1480=26, 6.4=26...(18) * HD3 LYS 73 + H LYS 73 OK 80 100 - 80 - 3.0/1480=26, 6.4=26...(18) HG12 ILE 71 - H LYS 73 OK 39 92 - 43 - 3.9/2124=16, 4.6/2125=11...(8) HD3 LYS 20 - H LYS 73 OK 29 100 - 29 - 3.0/1481=4, 5174/3.0=3...(15) HD2 LYS 20 - H LYS 73 OK 29 99 - 29 - 3.0/1481=4, 5174/3.0=3...(15) HD3 LYS 43 - H LYS 73 OK 21 100 - 21 - 5184/3.0=3, 5183=2...(12) HD2 LYS 43 - H LYS 73 OK 21 99 - 21 - 5184/3.0=3, 5183=2...(12) HD3 LYS 96 - H LYS 73 OK 12 100 - 12 - 5.3/2127=1, 5184/3.0=1, 5183=1 HD2 LYS 96 - H LYS 73 OK 12 100 - 12 - 5.3/2127=1, 5184/3.0=1, 5183=1 HD2 LYS 16 - H LYS 73 lone 9 100 - 9 - 6.1/452=3, 2770/4.6=1 HD3 LYS 16 - H LYS 73 lone 8 99 - 8 - 6.1/452=3, 2770/4.6=1 HD2 LYS 44 - H LYS 73 poor 8 70 - 12 - 5.4/2127=4, 2.9/1480=3 HD3 LYS 44 - H LYS 73 poor 7 61 - 12 - 5.4/2127=4, 2.9/1480=3 HG3 LYS 123 - H LYS 73 lone 6 77 - 8 - 4.7/2125=1, 445/4.6=1...(4) HG3 ARG 95 - H LYS 73 lone 6 96 - 6 - 4.1/2126=1 HD2 LYS 40 - H LYS 73 lone 6 100 - 6 - HD3 LYS 40 - H LYS 73 lone 6 100 - 5 - HG3 LYS 39 - H LYS 73 lone 3 77 - 4 - HD2 LYS 17 - H LYS 73 lone 2 100 - 2 - HB ILE 56 - H LYS 73 lone 1 99 - 1 - HB ILE 54 - H LYS 73 lone 1 100 - 1 - Peak 1484 from nnoeabs.peaks (2.98, 7.72, 120.73 ppm; 6.20 A): 2 out of 14 assignments used, quality = 1.00: * HE2 LYS 73 + H LYS 73 OK 97 100 - 97 - 6.7=80, 3.8/1480=37...(13) HE3 LYS 73 + H LYS 73 OK 95 99 - 97 - 6.7=80, 3.8/1480=37...(13) HE2 LYS 43 - H LYS 73 OK 34 100 - 34 - 5194/3.0=5, 5171/4.9=5...(12) HE3 LYS 43 - H LYS 73 OK 32 97 - 33 - 5194/3.0=5, 5171/4.9=5...(10) HE3 LYS 20 - H LYS 73 OK 22 65 - 34 - 3.9/1481=6, 3.0/1483=4...(11) HE2 LYS 20 - H LYS 73 OK 22 65 - 34 - 3.9/1481=6, 3.0/1483=4...(11) HE3 LYS 39 - H LYS 73 lone 7 100 - 7 - 5194/3.0=1, 5171/4.9=1 HE2 LYS 39 - H LYS 73 lone 7 100 - 7 - 5194/3.0=1, 5171/4.9=1 HE2 LYS 40 - H LYS 73 lone 7 81 - 9 - 5172/4.9=1, 5162/4.9=1 HE3 LYS 40 - H LYS 73 lone 6 73 - 9 - 5172/4.9=1, 5162/4.9=1 HD3 ARG 118 - H LYS 73 lone 4 90 - 5 - HB2 ASN 24 - H LYS 73 lone 2 77 - 3 - HB3 ASN 24 - H LYS 73 lone 2 77 - 3 - HB3 PHE 51 - H LYS 73 lone 2 77 - 2 - Peak 1485 from nnoeabs.peaks (2.98, 7.72, 120.73 ppm; 6.20 A): 2 out of 14 assignments used, quality = 1.00: * HE3 LYS 73 + H LYS 73 OK 97 100 - 97 - 6.7=80, 3.8/1480=37...(13) HE2 LYS 73 + H LYS 73 OK 95 99 - 97 - 6.7=80, 3.8/1480=37...(13) HE2 LYS 43 - H LYS 73 OK 33 100 - 34 - 5194/3.0=5, 5171/4.9=5...(12) HE3 LYS 43 - H LYS 73 OK 33 100 - 33 - 5171/4.9=5, 5194/3.0=5...(10) HE2 LYS 20 - H LYS 73 OK 28 84 - 34 - 3.9/1481=6, 3.0/1483=4...(11) HE3 LYS 20 - H LYS 73 OK 28 84 - 34 - 3.9/1481=6, 3.0/1483=4...(11) HE2 LYS 40 - H LYS 73 lone 8 94 - 9 - 5172/4.9=1, 5162/4.9=1 HE3 LYS 40 - H LYS 73 lone 8 90 - 9 - 5172/4.9=1, 5162/4.9=1 HE2 LYS 39 - H LYS 73 lone 7 100 - 7 - 5194/3.0=1, 5171/4.9=1 HE3 LYS 39 - H LYS 73 lone 7 99 - 7 - 5194/3.0=1, 5171/4.9=1 HD3 ARG 118 - H LYS 73 lone 5 98 - 5 - HB2 ASN 24 - H LYS 73 lone 3 92 - 3 - 10883/4.6=1 HB3 ASN 24 - H LYS 73 lone 3 92 - 3 - 10883/4.6=1 HB3 PHE 51 - H LYS 73 lone 2 92 - 2 - Peak 1486 from nnoeabs.peaks (7.61, 7.61, 117.57 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H LEU 74 + H LEU 74 OK 100 100 - 100 H LYS 16 + H LYS 16 OK 95 95 - 100 Peak 1487 from nnoeabs.peaks (4.23, 7.61, 117.57 ppm; 3.44 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 74 + H LEU 74 OK 100 100 - 100 - 2.9=100 Peak 1488 from nnoeabs.peaks (1.47, 7.61, 117.57 ppm; 3.56 A): 2 out of 30 assignments used, quality = 0.96: * HB2 LEU 74 + H LEU 74 OK 93 100 - 93 - 3.8=83, 3.0/5234=16...(12) HG3 LYS 73 + H LEU 74 OK 38 87 - 44 - 5128/3.6=12, 1.8/7671=11...(8) HB2 LEU 74 - H LYS 16 OK 16 97 - 17 - 3.1/5241=4, 3.1/5248=4...(4) HG3 LYS 73 - H LYS 16 OK 15 81 - 19 - 1.8/7671=6, 4.9/452=3...(8) HG3 LYS 20 - H LEU 74 lone 7 92 - 8 - 5128/3.6=3, 1481/4.6=2 HG12 ILE 57 - H LYS 16 lone 4 94 - 4 - 3.2/78=1 HG3 LYS 20 - H LYS 16 lone 3 86 - 4 - HB3 LEU 38 - H LYS 16 lone 3 95 - 3 - HG LEU 4 - H LEU 74 lone 3 77 - 3 - 9036/10774=2 HG2 LYS 106 - H LYS 16 lone 2 94 - 2 - HB3 LEU 38 - H LEU 74 lone 2 99 - 2 - HG2 LYS 39 - H LEU 74 lone 2 94 - 2 - HG LEU 4 - H LYS 16 lone 2 71 - 2 - 2.1/80=1 HG12 ILE 7 - H LYS 16 lone 2 92 - 2 - HG2 LYS 39 - H LYS 16 lone 2 89 - 2 - HG12 ILE 57 - H LEU 74 lone 1 98 - 1 - HG2 LYS 106 - H LEU 74 lone 1 98 - 1 - HG12 ILE 7 - H LEU 74 lone 1 97 - 1 - HG2 LYS 49 - H LEU 74 lone 1 96 - 1 - HG3 LYS 49 - H LEU 74 lone 1 96 - 1 - HG3 ARG 118 - H LEU 74 lone 1 70 - 1 - HB3 LEU 6 - H LYS 16 lone 1 91 - 1 - HG3 ARG 118 - H LYS 16 lone 1 64 - 1 - HG3 LYS 49 - H LYS 16 lone 1 91 - 1 - HG2 LYS 49 - H LYS 16 lone 1 91 - 1 - HB3 LEU 6 - H LEU 74 lone 1 96 - 1 - HD2 LYS 53 - H LEU 74 lone 1 81 - 1 - HG3 ARG 30 - H LEU 74 lone 0 81 - 1 - HG3 ARG 30 - H LYS 16 lone 0 75 - 1 - HD2 LYS 53 - H LYS 16 lone 0 75 - 0 - Peak 1489 from nnoeabs.peaks (1.20, 7.61, 117.57 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 74 + H LEU 74 OK 100 100 - 100 - 3.8=100 Peak 1490 from nnoeabs.peaks (1.70, 7.61, 117.57 ppm; 3.13 A): 6 out of 34 assignments used, quality = 0.92: * HG LEU 74 + H LEU 74 OK 62 100 - 62 - 4.9=26, 2.1/5248=15...(9) HD3 LYS 16 + H LYS 16 OK 45 71 - 63 - 2.9/2750=14, 6.1=14...(17) HD2 LYS 16 + H LYS 16 OK 38 60 - 63 - 2.9/2750=14, 6.1=14...(17) HG12 ILE 71 + H LEU 74 OK 15 92 - 17 - 3.9/9790=7, 3.2/1492=3...(6) HD2 LYS 73 + H LEU 74 OK 15 61 - 24 - 3.0/7671=7, 3.0/457=5...(7) HG LEU 74 + H LYS 16 OK 14 97 - 14 - 2.1/5241=4, 2.1/5248=4...(4) HD3 LYS 16 - H LEU 74 poor 8 77 - 11 - 2.9/2750=3, 2.9/2760=3...(5) HD2 LYS 73 - H LYS 16 poor 7 56 - 13 - 3.0/7671=4, 3.0/457=2, 6.4/452=1 HD2 LYS 16 - H LEU 74 poor 7 65 - 11 - 2.9/2750=3, 2.9/2760=3...(5) HG3 LYS 123 - H LEU 74 lone 4 99 - 4 - HD3 LYS 44 - H LYS 16 lone 3 97 - 3 - HD2 LYS 44 - H LYS 16 lone 3 96 - 3 - HG12 ILE 71 - H LYS 16 lone 3 86 - 4 - 3.9/9790=2 HD3 LYS 44 - H LEU 74 lone 3 100 - 3 - HD2 LYS 20 - H LYS 16 lone 3 68 - 5 - HD2 LYS 20 - H LEU 74 lone 3 73 - 4 - HD2 LYS 44 - H LEU 74 lone 3 100 - 3 - HD3 LYS 20 - H LYS 16 lone 3 64 - 5 - HD3 LYS 20 - H LEU 74 lone 3 70 - 4 - HG3 LYS 123 - H LYS 16 lone 2 95 - 3 - HG3 LYS 39 - H LEU 74 lone 2 99 - 2 - HD3 LYS 39 - H LEU 74 lone 2 100 - 2 - HD2 LYS 39 - H LEU 74 lone 2 100 - 2 - HG3 LYS 39 - H LYS 16 lone 1 95 - 1 - HD3 LYS 39 - H LYS 16 lone 1 97 - 1 - HD2 LYS 39 - H LYS 16 lone 1 97 - 1 - HB3 LYS 106 - H LYS 16 lone 1 84 - 1 - HB2 LYS 106 - H LYS 16 lone 1 78 - 1 - HB3 LYS 106 - H LEU 74 lone 1 90 - 1 - HB2 LYS 106 - H LEU 74 lone 1 84 - 1 - HB3 LEU 90 - H LYS 16 lone 1 56 - 1 - HB ILE 56 - H LYS 16 lone 0 71 - 1 - HB ILE 56 - H LEU 74 lone 0 77 - 0 - HB3 LEU 90 - H LEU 74 lone 0 61 - 1 - Peak 1491 from nnoeabs.peaks (0.82, 7.61, 117.57 ppm; 3.05 A): 5 out of 14 assignments used, quality = 0.95: QD2 LEU 74 + H LEU 74 OK 68 100 - 68 - 5249/2.9=25, 4.8=25...(9) * QD1 LEU 74 + H LEU 74 OK 67 100 - 67 - 4.8=25, 2.1/5248=14...(11) QG2 ILE 71 + H LEU 74 OK 29 100 - 29 - 3.2/9790=8, 9789/3.8=6...(11) QD1 LEU 74 + H LYS 16 OK 18 97 - 18 - 5241=4, 2.1/5248=3...(7) QD2 LEU 74 + H LYS 16 OK 15 97 - 15 - 5248=4, 2.1/5241=4...(5) QD1 LEU 114 - H LYS 16 lone 7 81 - 9 - 3.1/79=2, 3.1/1107=2, 2.1/7886=1 QG2 ILE 71 - H LYS 16 lone 5 97 - 6 - 3.2/9790=2 QD1 LEU 114 - H LEU 74 lone 5 87 - 6 - QD2 LEU 82 - H LYS 16 lone 4 91 - 4 - 2.1/456=1, 3.1/79=1 QD1 LEU 64 - H LEU 74 lone 3 100 - 3 - QD1 LEU 64 - H LYS 16 lone 3 96 - 3 - QD2 LEU 82 - H LEU 74 lone 2 96 - 2 - QG1 VAL 29 - H LYS 16 lone 1 64 - 1 - QG1 VAL 29 - H LEU 74 lone 0 70 - 0 - Peak 1492 from nnoeabs.peaks (0.82, 7.61, 117.57 ppm; 3.05 A): 5 out of 14 assignments used, quality = 0.95: * QD2 LEU 74 + H LEU 74 OK 69 100 - 69 - 5249/2.9=25, 4.8=25...(10) QD1 LEU 74 + H LEU 74 OK 67 100 - 67 - 4.8=25, 2.1/5248=14...(12) QG2 ILE 71 + H LEU 74 OK 29 100 - 29 - 3.2/9790=8, 9789/3.8=6...(11) QD1 LEU 74 + H LYS 16 OK 18 97 - 18 - 5241=4, 2.1/5248=3...(7) QD2 LEU 74 + H LYS 16 OK 15 97 - 15 - 5248=4, 2.1/5241=4...(5) QD1 LEU 114 - H LYS 16 lone 6 75 - 8 - 3.1/79=2, 3.1/1107=2, 2.1/7886=1 QG2 ILE 71 - H LYS 16 lone 5 97 - 6 - 3.2/9790=2 QD1 LEU 114 - H LEU 74 lone 5 81 - 6 - QD2 LEU 82 - H LYS 16 lone 4 94 - 4 - 2.1/456=1, 3.1/79=1 QD1 LEU 64 - H LEU 74 lone 3 99 - 3 - QD1 LEU 64 - H LYS 16 lone 2 95 - 3 - QD2 LEU 82 - H LEU 74 lone 2 98 - 2 - QG1 VAL 29 - H LYS 16 lone 0 56 - 1 - QG1 VAL 29 - H LEU 74 lone 0 61 - 0 - Peak 1493 from nnoeabs.peaks (7.92, 7.92, 105.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 75 + H GLY 75 OK 100 100 - 100 Peak 1494 from nnoeabs.peaks (3.84, 7.92, 105.99 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 75 + H GLY 75 OK 100 100 - 100 - 3.0=100 Peak 1495 from nnoeabs.peaks (4.01, 7.92, 105.99 ppm; 3.25 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 75 + H GLY 75 OK 100 100 - 100 - 3.0=100 Peak 1496 from nnoeabs.peaks (7.37, 7.37, 118.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H TYR 76 + H TYR 76 OK 100 100 - 100 Peak 1497 from nnoeabs.peaks (4.78, 7.37, 118.45 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 76 + H TYR 76 OK 100 100 - 100 - 3.0=100 Peak 1498 from nnoeabs.peaks (2.66, 7.37, 118.45 ppm; 3.58 A): 1 out of 7 assignments used, quality = 0.86: * HB2 TYR 76 + H TYR 76 OK 86 100 - 86 - 4.0=71, 2.5/1503=31...(6) HG2 MET 42 - H TYR 76 lone 4 96 - 4 - 11044/3.6=2, 9787/9797=1 HB2 TYR 27 - H TYR 76 lone 1 100 - 1 - HE3 LYS 61 - H TYR 76 lone 1 92 - 1 - HB3 ASP 84 - H TYR 76 lone 1 100 - 1 - HB3 ASP 36 - H TYR 76 lone 1 100 - 1 - HB3 ASP 110 - H TYR 76 lone 0 70 - 1 - Peak 1499 from nnoeabs.peaks (2.85, 7.37, 118.45 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 76 + H TYR 76 OK 100 100 - 100 - 4.0=100 Peak 1503 from nnoeabs.peaks (6.86, 7.37, 118.45 ppm; 3.60 A): 1 out of 1 assignment used, quality = 0.83: * QD TYR 76 + H TYR 76 OK 83 100 - 83 - 4.4=55, 2.5/1498=29...(8) Peak 1504 from nnoeabs.peaks (8.29, 8.29, 122.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 77 + H LYS 77 OK 100 100 - 100 Peak 1505 from nnoeabs.peaks (4.55, 8.29, 122.87 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 77 + H LYS 77 OK 100 100 - 100 - 3.0=100 Peak 1506 from nnoeabs.peaks (1.84, 8.29, 122.87 ppm; 3.47 A): 2 out of 8 assignments used, quality = 0.90: * HB2 LYS 77 + H LYS 77 OK 69 100 - 69 - 4.0=66, 7692/4.7=5...(4) HB3 LYS 77 + H LYS 77 OK 69 100 - 69 - 4.0=66, 7692/4.7=5...(4) QE MET 121 - H LYS 77 lone 1 84 - 1 - HG LEU 127 - H LYS 77 lone 1 77 - 1 - HB3 LYS 19 - H LYS 77 lone 0 94 - 0 - HD2 LYS 123 - H LYS 77 lone 0 100 - 0 - HG LEU 70 - H LYS 77 lone 0 99 - 0 - HB2 ARG 105 - H LYS 77 lone 0 81 - 0 - Peak 1507 from nnoeabs.peaks (1.84, 8.29, 122.87 ppm; 3.47 A): 2 out of 10 assignments used, quality = 0.90: * HB3 LYS 77 + H LYS 77 OK 69 100 - 69 - 4.0=66, 7692/4.7=5...(4) HB2 LYS 77 + H LYS 77 OK 69 100 - 69 - 4.0=66, 7692/4.7=5...(4) HB2 LEU 14 - H LYS 77 lone 2 65 - 4 - 3.0/11313=2, 4.0/62=2 QE MET 121 - H LYS 77 lone 1 90 - 1 - HG LEU 127 - H LYS 77 lone 1 70 - 1 - HB3 LYS 19 - H LYS 77 lone 0 97 - 0 - HD2 LYS 123 - H LYS 77 lone 0 100 - 0 - HG LEU 70 - H LYS 77 lone 0 97 - 0 - HB2 ARG 105 - H LYS 77 lone 0 73 - 0 - HB ILE 57 - H LYS 77 lone 0 65 - 0 - Peak 1509 from nnoeabs.peaks (1.17, 8.29, 122.87 ppm; 6.17 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 77 + H LYS 77 OK 100 100 - 100 - 5.0=100 Peak 1514 from nnoeabs.peaks (7.83, 7.83, 124.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 78 + H VAL 78 OK 100 100 - 100 Peak 1515 from nnoeabs.peaks (5.17, 7.83, 124.07 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 78 + H VAL 78 OK 100 100 - 100 - 3.0=100 Peak 1516 from nnoeabs.peaks (1.56, 7.83, 124.07 ppm; 3.58 A): 1 out of 11 assignments used, quality = 0.95: * HB VAL 78 + H VAL 78 OK 95 100 - 95 - 3.7=90, 2.1/1518=26...(5) HG12 ILE 3 - H VAL 78 OK 13 99 - 13 - ~10661=7, ~10668=6 HG3 LYS 96 - H VAL 78 OK 12 84 - 14 - 2.9/7797=3, 1.8/7798=2...(6) HG2 LYS 115 - H VAL 78 lone 1 99 - 1 - HG LEU 55 - H VAL 78 lone 1 94 - 1 - HG2 LYS 65 - H VAL 78 lone 1 96 - 1 - HG2 LYS 123 - H VAL 78 lone 1 65 - 1 - HD2 LYS 106 - H VAL 78 lone 1 99 - 1 - HD3 LYS 106 - H VAL 78 lone 1 99 - 1 - HB3 LEU 70 - H VAL 78 lone 1 84 - 1 - QB ALA 46 - H VAL 78 lone 0 97 - 0 - Peak 1517 from nnoeabs.peaks (0.72, 7.83, 124.07 ppm; 3.55 A): 2 out of 13 assignments used, quality = 0.88: * QG2 VAL 78 + H VAL 78 OK 86 100 - 86 - 4.0=69, 2.1/1518=26...(7) QD2 LEU 81 + H VAL 78 OK 11 61 - 18 - ~9954=4, ~11386=3...(7) QD2 LEU 63 - H VAL 78 lone 7 73 - 9 - 2.1/487=2, 3.1/10960=2...(4) QG2 ILE 7 - H VAL 78 poor 7 61 - 11 - 11582/4.0=5, ~2522=3, ~10689=1 QD1 LEU 63 - H VAL 78 lone 7 73 - 9 - 2.1/10958=2, 2.1/487=2...(4) QD1 LEU 6 - H VAL 78 lone 4 92 - 4 - 493/4.6=2 QD2 LEU 6 - H VAL 78 lone 3 92 - 4 - 493/4.6=2 QG2 ILE 18 - H VAL 78 lone 2 97 - 2 - HG13 ILE 18 - H VAL 78 lone 2 99 - 2 - QD2 LEU 45 - H VAL 78 lone 2 100 - 2 - QD2 LEU 55 - H VAL 78 lone 1 90 - 1 - QG1 VAL 117 - H VAL 78 lone 1 99 - 1 - QD1 ILE 57 - H VAL 78 lone 1 65 - 1 - Peak 1518 from nnoeabs.peaks (0.61, 7.83, 124.07 ppm; 3.99 A): 1 out of 3 assignments used, quality = 0.99: * QG1 VAL 78 + H VAL 78 OK 99 100 - 99 - 4.0=97, 2.1/1516=30...(7) QD1 ILE 5 - H VAL 78 lone 8 94 - 8 - 494/4.6=7, 4694/4698=1 QD1 ILE 18 - H VAL 78 lone 3 100 - 3 - Peak 1519 from nnoeabs.peaks (8.37, 8.37, 126.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H PHE 79 + H PHE 79 OK 100 100 - 100 Peak 1520 from nnoeabs.peaks (4.57, 8.37, 126.17 ppm; 4.20 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 79 + H PHE 79 OK 100 100 - 100 - 3.0=100 Peak 1521 from nnoeabs.peaks (1.04, 8.37, 126.17 ppm; 4.54 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 79 + H PHE 79 OK 100 100 - 100 - 4.0=100 Peak 1522 from nnoeabs.peaks (2.08, 8.37, 126.17 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 79 + H PHE 79 OK 100 100 - 100 - 4.0=100 Peak 1526 from nnoeabs.peaks (6.72, 8.37, 126.17 ppm; 4.02 A): 3 out of 3 assignments used, quality = 0.89: * QD PHE 79 + H PHE 79 OK 82 100 - 82 - 4.5=69, 4634/3.6=23...(9) QE TYR 102 + H PHE 79 OK 25 99 - 25 - 9873/4.1=8, 9878/4.1=8...(4) QE TYR 76 + H PHE 79 OK 17 99 - 17 - 9873/4.1=6, 9878/4.1=4...(4) Peak 1527 from nnoeabs.peaks (8.60, 8.60, 123.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 80 + H LEU 80 OK 100 100 - 100 Peak 1528 from nnoeabs.peaks (5.55, 8.60, 123.96 ppm; 4.70 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 80 + H LEU 80 OK 100 100 - 100 - 3.0=100 Peak 1529 from nnoeabs.peaks (1.75, 8.60, 123.96 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 80 + H LEU 80 OK 100 100 - 100 - 3.8=100 Peak 1530 from nnoeabs.peaks (1.29, 8.60, 123.96 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 80 + H LEU 80 OK 100 100 - 100 - 3.8=100 Peak 1531 from nnoeabs.peaks (1.44, 8.60, 123.96 ppm; 4.98 A): 1 out of 18 assignments used, quality = 0.96: * HG LEU 80 + H LEU 80 OK 96 100 - 96 - 5.3=84, ~5503=29...(10) HB3 LEU 6 - H LEU 80 OK 43 70 - 62 - ~10670=20, ~9067=20...(8) HB2 LEU 4 - H LEU 80 OK 14 99 - 14 - 9900/4.7=4, 3.1/9916=3...(5) HB3 LEU 4 - H LEU 80 OK 14 99 - 14 - 9900/4.7=4, 3.1/9916=3...(5) HG12 ILE 7 - H LEU 80 OK 12 65 - 19 - 2.1/1533=4, 11387/4.7=3...(7) HG LEU 4 - H LEU 80 OK 11 92 - 12 - 2.1/9916=4, 9900/4.7=3...(4) HG2 LYS 39 - H LEU 80 poor 8 73 - 10 - 11039/4.7=3, 11039/4.7=3 HG3 LYS 17 - H LEU 80 lone 5 87 - 5 - ~9917=2, 5471/3.0=1 HG2 LYS 96 - H LEU 80 lone 3 100 - 3 - HG2 LYS 106 - H LEU 80 lone 3 61 - 5 - HG3 LYS 49 - H LEU 80 lone 3 70 - 4 - HG2 LYS 49 - H LEU 80 lone 3 70 - 4 - HG12 ILE 57 - H LEU 80 lone 2 61 - 4 - 11387/4.7=1 HG3 ARG 30 - H LEU 80 lone 2 90 - 2 - HG3 LYS 44 - H LEU 80 lone 2 100 - 2 - HB3 LYS 61 - H LEU 80 lone 1 94 - 1 - HB3 LEU 63 - H LEU 80 lone 1 77 - 2 - HG12 ILE 56 - H LEU 80 lone 1 81 - 1 - Peak 1532 from nnoeabs.peaks (0.78, 8.60, 123.96 ppm; 4.22 A): 2 out of 10 assignments used, quality = 0.99: QD1 LEU 80 + H LEU 80 OK 92 100 - 92 - 4.7=74, 5503/3.0=35...(8) * QD2 LEU 80 + H LEU 80 OK 92 100 - 92 - 4.7=74, ~5503=21...(10) QD1 LEU 82 - H LEU 80 OK 25 100 - 25 - ~9977=12, 2.1/9986=8...(6) QD1 LEU 81 - H LEU 80 OK 22 84 - 26 - 5537/4.7=15, 3.1/9943=5...(4) QD1 ILE 7 - H LEU 80 OK 21 94 - 23 - 9087/4.7=15, 5473/3.0=3...(5) QG1 VAL 107 - H LEU 80 poor 9 84 - 11 - 7859=2, 2.1/7858=2...(5) QD1 ILE 15 - H LEU 80 lone 4 87 - 5 - 2.1/9916=2, 9171/4.7=1 QD2 LEU 64 - H LEU 80 lone 2 97 - 2 - QG2 VAL 32 - H LEU 80 lone 2 84 - 2 - QD2 LEU 14 - H LEU 80 lone 1 84 - 2 - Peak 1533 from nnoeabs.peaks (0.78, 8.60, 123.96 ppm; 4.22 A): 2 out of 10 assignments used, quality = 0.99: * QD1 LEU 80 + H LEU 80 OK 92 100 - 92 - 4.7=74, 5503/3.0=35...(8) QD2 LEU 80 + H LEU 80 OK 92 100 - 92 - 4.7=74, ~5503=21...(10) QD1 LEU 82 - H LEU 80 OK 25 100 - 25 - ~9977=12, 2.1/9986=8...(6) QD1 ILE 7 - H LEU 80 OK 22 96 - 23 - 9087/4.7=15, 5473/3.0=3...(5) QD1 LEU 81 - H LEU 80 OK 20 81 - 25 - 5537/4.7=15, 3.1/9943=5...(4) QG1 VAL 107 - H LEU 80 poor 9 87 - 11 - 7859=2, 2.1/7858=2...(5) QD1 ILE 15 - H LEU 80 lone 4 90 - 5 - 2.1/9916=2, 9171/4.7=1 QD2 LEU 64 - H LEU 80 lone 2 96 - 2 - QG2 VAL 32 - H LEU 80 lone 2 87 - 2 - QD2 LEU 14 - H LEU 80 lone 1 87 - 2 - Peak 1534 from nnoeabs.peaks (9.06, 9.06, 126.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 81 + H LEU 81 OK 100 100 - 100 Peak 1535 from nnoeabs.peaks (5.27, 9.06, 126.69 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 81 + H LEU 81 OK 100 100 - 100 - 3.0=100 Peak 1536 from nnoeabs.peaks (1.92, 9.06, 126.69 ppm; 3.79 A): 1 out of 19 assignments used, quality = 0.99: * HB2 LEU 81 + H LEU 81 OK 99 100 - 99 - 3.8=96, 3.1/5537=22...(12) HB3 LYS 17 - H LEU 81 OK 13 100 - 13 - 11475/5.0=4, 11475/5.0=4...(4) HB3 LYS 65 - H LEU 81 lone 6 81 - 8 - 2.9/1538=2, 10459/4.8=2 HB2 LYS 65 - H LEU 81 lone 6 77 - 8 - 2.9/1538=2, 10459/4.8=2 HB2 LYS 115 - H LEU 81 lone 5 94 - 6 - 10459/4.8=2, 10458/4.8=1 HB3 LYS 115 - H LEU 81 lone 4 77 - 5 - 10459/4.8=1, 10458/4.8=1 HB2 LYS 39 - H LEU 81 lone 3 77 - 4 - 2.9/11387=1 HG2 MET 121 - H LEU 81 lone 2 100 - 2 - HB ILE 15 - H LEU 81 lone 2 99 - 2 - HB3 LYS 123 - H LEU 81 lone 1 99 - 1 - HB2 LYS 123 - H LEU 81 lone 1 77 - 1 - HB2 LEU 127 - H LEU 81 lone 1 81 - 1 - HB2 LYS 43 - H LEU 81 lone 1 87 - 1 - HB2 LEU 45 - H LEU 81 lone 1 77 - 1 - HB2 LYS 44 - H LEU 81 lone 1 96 - 1 - HB3 LYS 44 - H LEU 81 lone 0 84 - 1 - HB3 LYS 43 - H LEU 81 lone 0 65 - 1 - HB2 LYS 96 - H LEU 81 lone 0 65 - 1 - HB2 GLU 128 - H LEU 81 lone 0 65 - 1 - Peak 1537 from nnoeabs.peaks (1.36, 9.06, 126.69 ppm; 3.74 A): 2 out of 6 assignments used, quality = 1.00: * HB3 LEU 81 + H LEU 81 OK 98 100 - 98 - 3.8=92, 1.8/1536=24...(11) HG LEU 81 + H LEU 81 OK 80 92 - 87 - 4.7=50, 2.1/5537=25...(11) HG3 LYS 65 - H LEU 81 OK 10 87 - 12 - 10805/4.8=5, 10805/5.0=1...(5) HG2 LYS 77 - H LEU 81 lone 2 100 - 2 - HG2 LYS 94 - H LEU 81 lone 1 84 - 1 - HG3 LYS 43 - H LEU 81 lone 1 81 - 1 - Peak 1538 from nnoeabs.peaks (1.35, 9.06, 126.69 ppm; 3.74 A): 2 out of 4 assignments used, quality = 0.99: HB3 LEU 81 + H LEU 81 OK 90 92 - 97 - 3.8=92, 1.8/1536=24...(11) * HG LEU 81 + H LEU 81 OK 87 100 - 88 - 4.7=50, 2.1/5537=25...(11) HG3 LYS 65 - H LEU 81 OK 14 100 - 14 - 10805/4.8=6, 10805/5.0=2...(6) HG2 LYS 77 - H LEU 81 lone 2 94 - 2 - Peak 1539 from nnoeabs.peaks (0.79, 9.06, 126.69 ppm; 3.18 A): 3 out of 7 assignments used, quality = 0.95: * QD1 LEU 81 + H LEU 81 OK 75 100 - 75 - 4.8=30, 5538/3.0=21...(11) QD2 LEU 80 + H LEU 81 OK 58 84 - 69 - 5.0=26, 2.1/7715=23...(11) QD1 LEU 80 + H LEU 81 OK 49 81 - 61 - 5.0=26, 3.9/504=19...(11) QD1 LEU 82 - H LEU 81 OK 16 90 - 18 - 515/4.6=6, 5514/3.0=3...(6) QD2 LEU 64 - H LEU 81 lone 4 98 - 5 - 9693/4738=2 QG1 VAL 29 - H LEU 81 lone 0 90 - 1 - QD1 LEU 114 - H LEU 81 lone 0 73 - 1 - Peak 1540 from nnoeabs.peaks (0.71, 9.06, 126.69 ppm; 4.24 A): 2 out of 9 assignments used, quality = 0.98: * QD2 LEU 81 + H LEU 81 OK 95 100 - 95 - 4.8=71, 2.1/5537=33...(12) QD1 LEU 6 + H LEU 81 OK 46 94 - 50 - 9067/3.6=23, 4.8/9941=18...(7) QD1 ILE 57 - H LEU 81 OK 19 100 - 19 - 9556/3.8=9, 2.1/11387=4...(4) QG2 VAL 78 - H LEU 81 OK 12 61 - 19 - 3.2/9951=9, 2.1/9887=4...(5) QD2 LEU 63 - H LEU 81 lone 2 100 - 2 - QG1 VAL 117 - H LEU 81 lone 2 77 - 2 - QG2 ILE 18 - H LEU 81 lone 2 87 - 2 - QG2 ILE 56 - H LEU 81 lone 1 87 - 2 - 516/4.6=1 QD2 LEU 45 - H LEU 81 lone 1 61 - 1 - Peak 1541 from nnoeabs.peaks (8.86, 8.86, 124.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 82 + H LEU 82 OK 100 100 - 100 Peak 1542 from nnoeabs.peaks (4.91, 8.86, 124.89 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 82 + H LEU 82 OK 100 100 - 100 - 2.9=100 Peak 1543 from nnoeabs.peaks (1.62, 8.86, 124.89 ppm; 3.52 A): 3 out of 10 assignments used, quality = 0.93: * HB2 LEU 82 + H LEU 82 OK 90 100 - 90 - 4.0=67, 1.8/1544=22...(14) HG LEU 90 + H LEU 82 OK 18 65 - 28 - 2.1/9968=9, 2.1/9968=8...(6) HB ILE 116 + H LEU 82 OK 17 94 - 18 - 11637/4.9=7, 11636/4.9=6...(4) HB3 LEU 64 - H LEU 82 lone 9 96 - 9 - 3.1/1546=2, 11637/4.9=2...(5) HG LEU 63 - H LEU 82 lone 3 100 - 3 - HD3 LYS 77 - H LEU 82 lone 2 100 - 2 - HD2 LYS 77 - H LEU 82 lone 2 100 - 2 - HG2 LYS 16 - H LEU 82 lone 1 98 - 1 - HB3 LEU 127 - H LEU 82 lone 1 96 - 1 - HG3 LYS 40 - H LEU 82 lone 1 100 - 1 - Peak 1544 from nnoeabs.peaks (1.74, 8.86, 124.89 ppm; 3.58 A): 3 out of 12 assignments used, quality = 0.95: * HB3 LEU 82 + H LEU 82 OK 92 100 - 92 - 4.0=71, 3.0/1545=25...(11) HB3 LEU 90 + H LEU 82 OK 19 81 - 24 - 3.1/9968=8, 3.1/9968=7...(5) HG3 ARG 105 + H LEU 82 OK 12 73 - 17 - 4.9/10247=10...(3) HB3 LYS 94 - H LEU 82 lone 10 100 - 10 - 10980/4.6=5 HB2 LEU 80 - H LEU 82 poor 9 70 - 12 - 10970/3.6=4, 3.1/1547=3...(4) HB2 LEU 114 - H LEU 82 lone 1 100 - 1 - HB2 LEU 68 - H LEU 82 lone 1 90 - 1 - HD3 LYS 123 - H LEU 82 lone 1 87 - 1 - HG12 ILE 15 - H LEU 82 lone 1 92 - 1 - HG2 ARG 118 - H LEU 82 lone 1 97 - 1 - HG2 LYS 17 - H LEU 82 lone 1 61 - 1 - HB3 LYS 49 - H LEU 82 lone 0 61 - 1 - Peak 1545 from nnoeabs.peaks (1.60, 8.86, 124.89 ppm; 3.46 A): 1 out of 9 assignments used, quality = 0.82: * HG LEU 82 + H LEU 82 OK 82 100 - 82 - 5.0=34, 2.1/1546=23...(11) HG12 ILE 116 - H LEU 82 lone 6 81 - 7 - 10493/4.9=5 HD3 LYS 19 - H LEU 82 lone 1 99 - 1 - HD2 LYS 19 - H LEU 82 lone 1 99 - 1 - HG3 LYS 19 - H LEU 82 lone 1 100 - 1 - HG LEU 68 - H LEU 82 lone 1 92 - 1 - HB3 LEU 127 - H LEU 82 lone 1 77 - 1 - HG2 LYS 73 - H LEU 82 lone 0 100 - 0 - HG2 LYS 44 - H LEU 82 lone 0 73 - 0 - Peak 1546 from nnoeabs.peaks (0.82, 8.86, 124.89 ppm; 3.83 A): 1 out of 8 assignments used, quality = 0.92: * QD2 LEU 82 + H LEU 82 OK 92 100 - 92 - 4.6=59, 2.1/1545=34...(8) QG2 ILE 57 - H LEU 82 poor 9 77 - 12 - 4.0/9984=3, 3.0/516=3...(5) QD1 LEU 64 - H LEU 82 lone 9 90 - 10 - 5556/2.9=3, 522/4.6=2...(4) QD2 LEU 74 - H LEU 82 lone 1 98 - 1 - QD1 LEU 74 - H LEU 82 lone 1 96 - 1 - QG2 ILE 71 - H LEU 82 lone 1 96 - 1 - QD1 LEU 114 - H LEU 82 lone 1 57 - 2 - QG2 ILE 5 - H LEU 82 lone 1 73 - 1 - Peak 1547 from nnoeabs.peaks (0.78, 8.86, 124.89 ppm; 3.19 A): 2 out of 10 assignments used, quality = 0.92: * QD1 LEU 82 + H LEU 82 OK 80 100 - 80 - 4.6=34, 2.1/1545=25...(12) QD1 LEU 81 + H LEU 82 OK 61 90 - 69 - 7720=27, 3.9/511=17...(12) QD1 LEU 80 - H LEU 82 OK 21 100 - 21 - 7715/4.6=12, 5514/3.6=3...(6) QG1 VAL 107 - H LEU 82 OK 20 77 - 26 - 4.0/9984=9, 10310/3.6=4...(7) QD2 LEU 80 - H LEU 82 OK 18 100 - 18 - 508/4.6=4, 5514/3.6=3...(8) QD1 ILE 7 - H LEU 82 OK 17 90 - 19 - 9087/4.6=7, 9074/4.6=5...(5) QD2 LEU 64 - H LEU 82 lone 7 99 - 8 - 2.1/1546=2, 3.1/1543=1 QD2 LEU 14 - H LEU 82 lone 2 77 - 2 - 523/4.6=1 QG2 VAL 32 - H LEU 82 lone 2 77 - 2 - QD1 ILE 15 - H LEU 82 lone 1 81 - 1 - Peak 1548 from nnoeabs.peaks (8.44, 8.44, 122.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 83 + H GLN 83 OK 100 100 - 100 Peak 1549 from nnoeabs.peaks (5.26, 8.44, 122.15 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 83 + H GLN 83 OK 100 100 - 100 - 3.0=100 Peak 1550 from nnoeabs.peaks (2.21, 8.44, 122.15 ppm; 3.67 A): 1 out of 7 assignments used, quality = 0.88: * HB2 GLN 83 + H GLN 83 OK 88 100 - 88 - 4.0=74, 1.8/1551=26...(6) HB2 GLN 100 - H GLN 83 lone 5 100 - 5 - 3.0/9997=3, 3.0/1552=1 HB2 MET 67 - H GLN 83 lone 1 94 - 1 - HG2 GLU 48 - H GLN 83 lone 1 92 - 1 - HG3 GLN 28 - H GLN 83 lone 0 92 - 0 - HB2 GLU 69 - H GLN 83 lone 0 90 - 0 - HB3 MET 1 - H GLN 83 lone 0 81 - 0 - Peak 1551 from nnoeabs.peaks (1.42, 8.44, 122.15 ppm; 3.72 A): 1 out of 10 assignments used, quality = 0.90: * HB3 GLN 83 + H GLN 83 OK 90 100 - 90 - 4.0=77, 1.8/1550=34...(6) QB ALA 113 - H GLN 83 lone 9 92 - 9 - 10409/6.9=2, 10409/6.9=2 HB3 LEU 63 - H GLN 83 lone 7 98 - 8 - 4.6/2082=2, 4.0/376=1...(4) HG3 LYS 17 - H GLN 83 lone 7 94 - 8 - 9964/4.5=4, 3.8/10003=1 HG12 ILE 56 - H GLN 83 lone 4 97 - 5 - 3.2/9534=2 HB3 LYS 61 - H GLN 83 lone 2 87 - 3 - HG3 LYS 106 - H GLN 83 lone 2 65 - 2 - 9966/4.5=1 HB2 LEU 4 - H GLN 83 lone 1 70 - 1 - HB3 LEU 4 - H GLN 83 lone 1 70 - 1 - HG3 LYS 44 - H GLN 83 lone 1 65 - 1 - Peak 1552 from nnoeabs.peaks (2.34, 8.44, 122.15 ppm; 4.58 A): 1 out of 7 assignments used, quality = 0.94: * HG2 GLN 83 + H GLN 83 OK 94 100 - 94 - 5.0=75, 3.0/1550=36...(5) HG3 GLN 100 - H GLN 83 lone 6 77 - 8 - 4.1/9997=4, 3.0/1550=2 HG3 GLU 112 - H GLN 83 lone 3 100 - 3 - 528/4.5=1 HG2 GLU 112 - H GLN 83 lone 3 100 - 3 - 528/4.5=1 HB3 PHE 120 - H GLN 83 lone 1 97 - 1 - HG3 GLU 103 - H GLN 83 lone 1 84 - 1 - HG3 GLU 48 - H GLN 83 lone 1 70 - 1 - Peak 1553 from nnoeabs.peaks (2.12, 8.44, 122.15 ppm; 4.51 A): 2 out of 14 assignments used, quality = 0.96: * HG3 GLN 83 + H GLN 83 OK 92 100 - 93 - 5.0=72, 3.0/1550=36...(5) HB VAL 107 + H GLN 83 OK 49 100 - 49 - ~10305=13, ~10310=13...(7) HB2 LEU 38 - H GLN 83 lone 5 100 - 5 - 529/4.5=3 HG2 GLU 41 - H GLN 83 lone 1 73 - 2 - HB2 GLU 91 - H GLN 83 lone 1 96 - 1 - HB2 GLU 21 - H GLN 83 lone 1 100 - 1 - HG2 GLU 21 - H GLN 83 lone 1 90 - 1 - HB3 GLU 119 - H GLN 83 lone 1 100 - 1 - HB2 GLU 119 - H GLN 83 lone 1 100 - 1 - HG3 GLU 21 - H GLN 83 lone 1 84 - 1 - HB3 GLU 92 - H GLN 83 lone 1 92 - 1 - HB3 GLU 47 - H GLN 83 lone 1 97 - 1 - HB2 GLU 111 - H GLN 83 lone 1 65 - 1 - HG2 GLU 52 - H GLN 83 lone 1 70 - 1 - Peak 1556 from nnoeabs.peaks (8.21, 8.21, 124.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 84 + H ASP 84 OK 100 100 - 100 Peak 1557 from nnoeabs.peaks (4.50, 8.21, 124.45 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 84 + H ASP 84 OK 100 100 - 100 - 2.9=100 Peak 1558 from nnoeabs.peaks (2.59, 8.21, 124.45 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 84 + H ASP 84 OK 100 100 - 100 - 4.1=100 Peak 1559 from nnoeabs.peaks (2.66, 8.21, 124.45 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 84 + H ASP 84 OK 100 100 - 100 - 4.1=100 Peak 1560 from nnoeabs.peaks (8.62, 8.62, 120.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 85 + H GLN 85 OK 100 100 - 100 Peak 1561 from nnoeabs.peaks (4.33, 8.62, 120.20 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 85 + H GLN 85 OK 100 100 - 100 - 3.0=100 Peak 1562 from nnoeabs.peaks (2.17, 8.62, 120.20 ppm; 3.63 A): 4 out of 8 assignments used, quality = 0.93: * HB2 GLN 85 + H GLN 85 OK 90 100 - 90 - 4.0=77, 1.8/1563=28...(9) HB2 GLU 98 + H GLN 85 OK 12 98 - 12 - 5653=4, 1.8/1563=2...(4) HB3 GLN 62 + H GLN 85 OK 11 98 - 11 - 3.0/1564=3, 3.0/1564=3...(6) HB2 GLN 62 + H GLN 85 OK 11 98 - 11 - 3.0/1564=3, 3.0/1564=3...(6) HG3 GLU 66 - H GLN 85 lone 5 81 - 6 - 3.0/1563=2 HB3 GLU 37 - H GLN 85 lone 2 100 - 2 - 7463/4.6=1 HB2 MET 42 - H GLN 85 lone 1 65 - 2 - HB3 GLU 13 - H GLN 85 lone 1 84 - 1 - Peak 1563 from nnoeabs.peaks (2.04, 8.62, 120.20 ppm; 3.31 A): 1 out of 17 assignments used, quality = 0.79: * HB3 GLN 85 + H GLN 85 OK 79 100 - 79 - 4.0=59, 1.8/5653=21...(10) HB3 GLU 98 - H GLN 85 lone 7 84 - 8 - 1.8/1562=3, 5661=2 HB2 GLU 66 - H GLN 85 lone 6 100 - 6 - 5661=2 HB3 GLU 89 - H GLN 85 lone 5 100 - 5 - 5661=2, 1.8/5661=1, 539/4.6=1 HB2 GLU 89 - H GLN 85 lone 5 100 - 5 - 5661=2, 1.8/5661=1, 539/4.6=1 HB3 GLU 87 - H GLN 85 lone 5 100 - 5 - 539/4.6=2, 5661=1 HB3 MET 67 - H GLN 85 lone 1 94 - 1 - HB3 GLN 100 - H GLN 85 lone 1 96 - 1 - HB2 GLU 92 - H GLN 85 lone 1 84 - 1 - HB VAL 117 - H GLN 85 lone 1 97 - 1 - HB3 GLU 111 - H GLN 85 lone 1 70 - 1 - HB2 MET 1 - H GLN 85 lone 1 92 - 1 - HB2 GLU 48 - H GLN 85 lone 0 100 - 0 - HB3 GLU 48 - H GLN 85 lone 0 100 - 0 - HG3 GLU 52 - H GLN 85 lone 0 99 - 0 - HB2 GLU 47 - H GLN 85 lone 0 73 - 0 - HB2 GLN 25 - H GLN 85 lone 0 61 - 0 - Peak 1564 from nnoeabs.peaks (2.41, 8.62, 120.20 ppm; 3.61 A): 2 out of 9 assignments used, quality = 0.95: * HG2 GLN 85 + H GLN 85 OK 77 100 - 77 - 5.0=37, 3.0/1563=21...(11) HG3 GLN 85 + H GLN 85 OK 77 100 - 77 - 5.0=37, 3.0/1563=21...(11) HG3 GLN 62 - H GLN 85 OK 23 99 - 23 - 5669=4, 1.8/5669=3...(12) HG2 GLN 62 - H GLN 85 OK 23 98 - 23 - 5669=4, 1.8/5669=3...(12) HB2 ASP 110 - H GLN 85 lone 9 94 - 9 - 4.0/1928=4, 1.8/535=2 HG2 GLU 66 - H GLN 85 lone 5 73 - 6 - 3.0/1563=2, 1.8/1562=1 HG2 GLN 122 - H GLN 85 lone 4 100 - 4 - 3.9/8307=1 HG3 MET 67 - H GLN 85 lone 2 87 - 3 - HG2 GLU 91 - H GLN 85 lone 1 92 - 1 - Peak 1565 from nnoeabs.peaks (2.40, 8.62, 120.20 ppm; 3.61 A): 2 out of 9 assignments used, quality = 0.95: * HG3 GLN 85 + H GLN 85 OK 77 100 - 77 - 5.0=37, 3.0/1563=21...(11) HG2 GLN 85 + H GLN 85 OK 77 100 - 77 - 5.0=37, 3.0/1563=21...(11) HG3 GLN 62 - H GLN 85 OK 23 97 - 23 - 5669=4, 1.8/5669=3...(12) HG2 GLN 62 - H GLN 85 OK 22 96 - 23 - 5669=4, 1.8/5669=3...(12) HB2 ASP 110 - H GLN 85 lone 8 90 - 9 - 4.0/1928=4, 1.8/535=2 HG2 GLU 66 - H GLN 85 lone 5 81 - 7 - 3.0/1563=2, 1.8/1562=1 HG2 GLN 122 - H GLN 85 lone 4 100 - 4 - 3.9/8307=1 HG3 MET 67 - H GLN 85 lone 3 92 - 3 - HG2 GLU 91 - H GLN 85 lone 1 87 - 1 - Peak 1568 from nnoeabs.peaks (8.69, 8.69, 120.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 86 + H ASP 86 OK 100 100 - 100 Peak 1569 from nnoeabs.peaks (4.68, 8.69, 120.51 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 86 + H ASP 86 OK 100 100 - 100 - 3.0=100 Peak 1570 from nnoeabs.peaks (2.93, 8.69, 120.51 ppm; 3.35 A): 1 out of 15 assignments used, quality = 0.76: * HB2 ASP 86 + H ASP 86 OK 76 100 - 76 - 4.0=57, 1.8/1571=36...(4) HE3 LYS 94 - H ASP 86 lone 1 92 - 1 - HE2 LYS 65 - H ASP 86 lone 1 90 - 1 - HE3 LYS 65 - H ASP 86 lone 1 90 - 1 - HE3 LYS 96 - H ASP 86 lone 0 100 - 0 - HE2 LYS 96 - H ASP 86 lone 0 100 - 0 - HE2 LYS 115 - H ASP 86 lone 0 65 - 1 - HE3 LYS 115 - H ASP 86 lone 0 65 - 1 - HE2 LYS 44 - H ASP 86 lone 0 100 - 0 - HE3 LYS 44 - H ASP 86 lone 0 100 - 0 - HD3 ARG 30 - H ASP 86 lone 0 98 - 0 - HB2 ASP 34 - H ASP 86 lone 0 65 - 0 - HE3 LYS 16 - H ASP 86 lone 0 70 - 0 - HE2 LYS 16 - H ASP 86 lone 0 70 - 0 - HB2 ASN 33 - H ASP 86 lone 0 70 - 0 - Peak 1571 from nnoeabs.peaks (2.57, 8.69, 120.51 ppm; 3.26 A): 1 out of 4 assignments used, quality = 0.72: * HB3 ASP 86 + H ASP 86 OK 72 100 - 72 - 4.0=53, 1.8/1570=31...(4) HG2 MET 67 - H ASP 86 lone 1 100 - 1 - HB3 ASP 60 - H ASP 86 lone 0 100 - 0 - HE3 LYS 77 - H ASP 86 lone 0 92 - 0 - Peak 1572 from nnoeabs.peaks (8.64, 8.64, 123.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 87 + H GLU 87 OK 100 100 - 100 Peak 1573 from nnoeabs.peaks (4.04, 8.64, 123.60 ppm; 3.37 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 87 + H GLU 87 OK 100 100 - 100 - 3.0=100 Peak 1574 from nnoeabs.peaks (2.09, 8.64, 123.60 ppm; 3.46 A): 1 out of 15 assignments used, quality = 0.89: * HB2 GLU 87 + H GLU 87 OK 89 100 - 89 - 4.0=63, 5704/3.0=28...(11) HB2 GLU 111 - H GLU 87 lone 9 99 - 10 - 1.8/1575=2, 3.0/1577=2 HB3 GLU 66 - H GLU 87 lone 6 100 - 6 - 1.8/1575=1 HB2 GLU 103 - H GLU 87 lone 4 97 - 4 - 550/4.6=1, 3.0/7831=1 HB3 GLU 92 - H GLU 87 lone 3 84 - 4 - HB3 GLU 47 - H GLU 87 lone 2 73 - 2 - HB3 GLU 69 - H GLU 87 lone 1 99 - 1 - HB2 GLU 112 - H GLU 87 lone 1 92 - 2 - HB3 GLU 112 - H GLU 87 lone 1 90 - 1 - HB3 MET 121 - H GLU 87 lone 1 70 - 1 - HG2 GLU 52 - H GLU 87 lone 1 98 - 1 - HG2 GLU 119 - H GLU 87 lone 0 65 - 1 - HG3 GLU 21 - H GLU 87 lone 0 92 - 0 - HG2 GLU 21 - H GLU 87 lone 0 87 - 0 - HB3 PHE 79 - H GLU 87 lone 0 61 - 1 - Peak 1575 from nnoeabs.peaks (2.04, 8.64, 123.60 ppm; 3.20 A): 4 out of 17 assignments used, quality = 0.88: * HB3 GLU 87 + H GLU 87 OK 79 100 - 79 - 4.0=50, 1.8/1574=23...(13) HB2 GLU 89 + H GLU 87 OK 18 100 - 18 - 4.0/2131=7, 551/4.6=2...(7) HB3 GLU 89 + H GLU 87 OK 18 100 - 18 - 4.0/2131=7, 551/4.6=2...(7) HB3 GLN 85 + H GLU 87 OK 14 100 - 14 - 539/4.7=6, 5709=4...(4) HB3 GLU 111 - H GLU 87 poor 8 70 - 11 - 1.8/1574=2, 3.0/1577=2...(4) HB2 GLU 66 - H GLU 87 lone 6 100 - 6 - 1.8/1574=1 HB2 GLU 92 - H GLU 87 lone 3 84 - 4 - HB3 GLU 98 - H GLU 87 lone 2 84 - 2 - HB2 GLU 47 - H GLU 87 lone 1 73 - 2 - HB VAL 117 - H GLU 87 lone 1 97 - 1 - HB3 MET 67 - H GLU 87 lone 1 94 - 1 - HB2 GLU 48 - H GLU 87 lone 1 100 - 1 - HB3 GLU 48 - H GLU 87 lone 1 100 - 1 - HB3 GLN 100 - H GLU 87 lone 1 96 - 1 - HG3 GLU 52 - H GLU 87 lone 1 99 - 1 - HB2 MET 1 - H GLU 87 lone 0 92 - 1 - HB2 GLN 25 - H GLU 87 lone 0 61 - 1 - Peak 1576 from nnoeabs.peaks (2.29, 8.64, 123.60 ppm; 3.46 A): 2 out of 8 assignments used, quality = 0.96: * HG2 GLU 87 + H GLU 87 OK 80 100 - 80 - 4.9=34, 3.0/5709=20...(12) HG3 GLU 87 + H GLU 87 OK 80 100 - 80 - 4.9=34, 3.0/5709=20...(12) HG3 GLU 89 - H GLU 87 OK 15 73 - 20 - 5.2/2131=7, 3.0/1575=3...(7) HG2 GLU 111 - H GLU 87 OK 14 96 - 15 - 5721=3, 3.0/1574=2...(7) HG3 GLU 91 - H GLU 87 lone 4 96 - 4 - 552/4.6=2 HG2 GLU 47 - H GLU 87 lone 3 100 - 3 - HB2 MET 121 - H GLU 87 lone 2 99 - 2 - HG3 GLU 13 - H GLU 87 lone 1 77 - 1 - Peak 1577 from nnoeabs.peaks (2.29, 8.64, 123.60 ppm; 3.46 A): 2 out of 8 assignments used, quality = 0.96: HG2 GLU 87 + H GLU 87 OK 80 100 - 80 - 4.9=34, 3.0/5709=20...(12) * HG3 GLU 87 + H GLU 87 OK 80 100 - 80 - 4.9=34, 3.0/5709=20...(12) HG3 GLU 89 - H GLU 87 OK 15 73 - 20 - 5.2/2131=7, 3.0/1575=3...(7) HG2 GLU 111 - H GLU 87 OK 14 96 - 15 - 5721=3, 3.0/1574=2...(7) HG3 GLU 91 - H GLU 87 lone 4 96 - 4 - 552/4.6=2 HG2 GLU 47 - H GLU 87 lone 3 100 - 3 - HB2 MET 121 - H GLU 87 lone 2 99 - 2 - HG3 GLU 13 - H GLU 87 lone 1 77 - 1 - Peak 1578 from nnoeabs.peaks (8.53, 8.53, 118.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASN 88 + H ASN 88 OK 100 100 - 100 Peak 1579 from nnoeabs.peaks (4.56, 8.53, 118.84 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 88 + H ASN 88 OK 100 100 - 100 - 2.9=100 Peak 1580 from nnoeabs.peaks (2.85, 8.53, 118.84 ppm; 3.34 A): 1 out of 4 assignments used, quality = 0.80: * HB2 ASN 88 + H ASN 88 OK 80 100 - 80 - 4.0=57, 1.8/1581=31...(7) HE2 LYS 17 - H ASN 88 lone 2 100 - 2 - HB3 TYR 76 - H ASN 88 lone 2 100 - 2 - HB2 ASP 36 - H ASN 88 lone 1 96 - 1 - Peak 1581 from nnoeabs.peaks (2.90, 8.53, 118.84 ppm; 3.18 A): 1 out of 13 assignments used, quality = 0.74: * HB3 ASN 88 + H ASN 88 OK 74 100 - 74 - 4.0=49, 1.8/1580=31...(5) HB2 ASP 34 - H ASN 88 lone 4 99 - 4 - 3.0/10058=3, 557/4.6=1 HB2 ASN 8 - H ASN 88 lone 4 81 - 5 - 4.0/548=2, 10751/11177=1 HE3 LYS 17 - H ASN 88 lone 2 99 - 2 - HB2 ASN 33 - H ASN 88 lone 1 99 - 1 - HE2 LYS 65 - H ASN 88 lone 1 90 - 1 - HE3 LYS 65 - H ASN 88 lone 1 90 - 1 - HE2 LYS 16 - H ASN 88 lone 1 99 - 1 - HE3 LYS 16 - H ASN 88 lone 1 99 - 1 - HE2 LYS 115 - H ASN 88 lone 1 99 - 1 - HE3 LYS 115 - H ASN 88 lone 1 99 - 1 - HB2 ASN 10 - H ASN 88 lone 0 100 - 0 - HE3 LYS 94 - H ASN 88 lone 0 87 - 0 - Peak 1582 from nnoeabs.peaks (7.89, 8.53, 118.84 ppm; 5.63 A): 1 out of 2 assignments used, quality = 0.98: * HD21 ASN 88 + H ASN 88 OK 98 100 - 98 - 5.7=94, 3.5/1580=45, 3.5/5739=42 H LEU 127 - H ASN 88 lone 2 96 - 2 - Peak 1584 from nnoeabs.peaks (8.22, 8.22, 120.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 89 + H GLU 89 OK 100 100 - 100 Peak 1585 from nnoeabs.peaks (4.15, 8.22, 120.95 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 89 + H GLU 89 OK 100 100 - 100 - 3.0=100 Peak 1586 from nnoeabs.peaks (2.04, 8.22, 120.95 ppm; 3.09 A): 2 out of 17 assignments used, quality = 0.94: HB3 GLU 89 + H GLU 89 OK 76 100 - 76 - 4.0=45, 1.8/5757=10...(17) * HB2 GLU 89 + H GLU 89 OK 76 100 - 76 - 4.0=45, 1.8/5757=10...(17) HB2 GLU 92 - H GLU 89 OK 29 84 - 35 - 8180/3.0=8, 3.0/5769=6...(11) HB3 GLU 87 - H GLU 89 OK 29 100 - 29 - 4.6/554=11, 4.0/2131=6...(10) HB3 GLU 111 - H GLU 89 OK 12 70 - 18 - 1.8/6597=5, 6603=4...(5) HB2 GLU 66 - H GLU 89 lone 10 100 - 10 - 5751=2, 5748/3.0=1 HB3 GLN 85 - H GLU 89 lone 3 100 - 3 - HB3 GLU 98 - H GLU 89 lone 2 84 - 2 - HB3 GLN 100 - H GLU 89 lone 2 96 - 2 - HB2 GLU 48 - H GLU 89 lone 1 100 - 1 - HB3 GLU 48 - H GLU 89 lone 1 100 - 1 - HB VAL 117 - H GLU 89 lone 1 97 - 1 - HB2 GLU 47 - H GLU 89 lone 1 73 - 1 - HB3 MET 67 - H GLU 89 lone 1 94 - 1 - HG3 GLU 52 - H GLU 89 lone 1 99 - 1 - HB2 MET 1 - H GLU 89 lone 0 92 - 0 - HB2 GLN 25 - H GLU 89 lone 0 61 - 0 - Peak 1587 from nnoeabs.peaks (2.04, 8.22, 120.95 ppm; 3.09 A): 2 out of 17 assignments used, quality = 0.94: * HB3 GLU 89 + H GLU 89 OK 76 100 - 76 - 4.0=45, 1.8/5757=10...(17) HB2 GLU 89 + H GLU 89 OK 76 100 - 76 - 4.0=45, 1.8/5757=10...(17) HB2 GLU 92 - H GLU 89 OK 29 84 - 35 - 8180/3.0=8, 3.0/5769=6...(11) HB3 GLU 87 - H GLU 89 OK 29 100 - 29 - 4.6/554=11, 4.0/2131=6...(10) HB3 GLU 111 - H GLU 89 OK 12 70 - 18 - 1.8/6597=5, 6603=4...(5) HB2 GLU 66 - H GLU 89 lone 10 100 - 10 - 5751=2, 5748/3.0=1 HB3 GLN 85 - H GLU 89 lone 3 100 - 3 - HB3 GLU 98 - H GLU 89 lone 2 84 - 2 - HB3 GLN 100 - H GLU 89 lone 2 96 - 2 - HB2 GLU 48 - H GLU 89 lone 1 100 - 1 - HB3 GLU 48 - H GLU 89 lone 1 100 - 1 - HB VAL 117 - H GLU 89 lone 1 97 - 1 - HB2 GLU 47 - H GLU 89 lone 1 73 - 1 - HB3 MET 67 - H GLU 89 lone 1 94 - 1 - HG3 GLU 52 - H GLU 89 lone 1 99 - 1 - HB2 MET 1 - H GLU 89 lone 0 92 - 0 - HB2 GLN 25 - H GLU 89 lone 0 61 - 0 - Peak 1588 from nnoeabs.peaks (2.26, 8.22, 120.95 ppm; 4.05 A): 3 out of 7 assignments used, quality = 0.95: * HG2 GLU 89 + H GLU 89 OK 83 100 - 83 - 5.2=48, 5749/3.0=20...(13) HG3 GLU 92 + H GLU 89 OK 59 100 - 59 - 1.8/5769=13, 5749/3.0=12...(15) HG3 GLU 111 + H GLU 89 OK 29 98 - 29 - 3.0/6597=6, 3.0/6603=6...(8) HB3 ASN 8 - H GLU 89 lone 8 92 - 8 - 4.0/2131=2, 1.8/557=2 HB2 GLU 37 - H GLU 89 lone 6 98 - 6 - HG2 GLU 103 - H GLU 89 lone 6 97 - 6 - HG2 GLU 69 - H GLU 89 lone 4 92 - 4 - Peak 1589 from nnoeabs.peaks (2.31, 8.22, 120.95 ppm; 4.16 A): 2 out of 8 assignments used, quality = 0.95: * HG3 GLU 89 + H GLU 89 OK 86 100 - 86 - 5.2=52, 1.8/1588=17...(15) HG2 GLU 92 + H GLU 89 OK 63 99 - 64 - 5769=15, 1.8/1588=12...(16) HG3 GLU 87 - H GLU 89 OK 36 73 - 49 - 5.0/554=19, 4.9/2131=11...(11) HG2 GLU 87 - H GLU 89 OK 36 73 - 49 - 5.0/554=19, 4.9/2131=11...(11) HG3 GLU 103 - H GLU 89 lone 5 87 - 6 - 1.8/1588=1 HG3 GLU 13 - H GLU 89 lone 5 100 - 5 - 5769=1 HG3 GLU 48 - H GLU 89 lone 3 96 - 3 - HG2 GLU 47 - H GLU 89 lone 2 73 - 2 - Peak 1590 from nnoeabs.peaks (8.05, 8.05, 119.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 90 + H LEU 90 OK 100 100 - 100 Peak 1591 from nnoeabs.peaks (4.21, 8.05, 119.58 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 90 + H LEU 90 OK 100 100 - 100 - 3.0=100 Peak 1592 from nnoeabs.peaks (1.78, 8.05, 119.58 ppm; 3.84 A): 1 out of 7 assignments used, quality = 0.97: * HB2 LEU 90 + H LEU 90 OK 97 100 - 97 - 4.0=87, 3.1/1595=22...(12) HB2 LEU 64 - H LEU 90 lone 8 84 - 10 - 1.8/1594=2, 3.0/1594=2...(4) HB VAL 32 - H LEU 90 lone 3 100 - 3 - HB2 LYS 19 - H LEU 90 lone 3 87 - 3 - HB3 GLN 28 - H LEU 90 lone 2 97 - 2 - HB2 LEU 55 - H LEU 90 lone 2 77 - 2 - HG12 ILE 18 - H LEU 90 lone 1 90 - 1 - Peak 1593 from nnoeabs.peaks (1.72, 8.05, 119.58 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 90 + H LEU 90 OK 100 100 - 100 - 4.0=100 Peak 1594 from nnoeabs.peaks (1.64, 8.05, 119.58 ppm; 4.15 A): 1 out of 19 assignments used, quality = 0.95: * HG LEU 90 + H LEU 90 OK 95 100 - 95 - 5.3=49, 2.1/1595=31...(10) HG LEU 64 - H LEU 90 OK 11 100 - 11 - 5796=3, 3.0/1592=2...(5) HB3 LEU 64 - H LEU 90 poor 10 92 - 10 - 1.8/1592=3, 3.0/5796=2...(5) HD3 LYS 65 - H LEU 90 poor 9 87 - 10 - 3.0/4833=3, 3.0/4823=1 HD2 LYS 65 - H LEU 90 poor 8 77 - 10 - 3.0/4833=3, 3.0/4823=1 HB2 LEU 82 - H LEU 90 lone 5 65 - 8 - 9967/4.4=5, 5779/3.0=1 HG LEU 63 - H LEU 90 lone 3 61 - 5 - 3.7/8109=2 HG LEU 114 - H LEU 90 lone 2 87 - 2 - HB ILE 116 - H LEU 90 lone 1 94 - 2 - HD2 LYS 115 - H LEU 90 lone 1 70 - 2 - HG2 LYS 16 - H LEU 90 lone 1 87 - 1 - HB ILE 5 - H LEU 90 lone 1 97 - 1 - HG3 LYS 40 - H LEU 90 lone 1 61 - 1 - HD2 LYS 49 - H LEU 90 lone 1 81 - 1 - HD3 LYS 49 - H LEU 90 lone 1 81 - 1 - HD2 LYS 77 - H LEU 90 lone 1 77 - 1 - HD3 LYS 77 - H LEU 90 lone 1 73 - 1 - HB2 ARG 30 - H LEU 90 lone 1 77 - 1 - HB2 GLU 52 - H LEU 90 lone 1 70 - 1 - Peak 1595 from nnoeabs.peaks (0.90, 8.05, 119.58 ppm; 4.11 A): 1 out of 7 assignments used, quality = 0.98: * QD1 LEU 90 + H LEU 90 OK 98 100 - 98 - 4.4=80, 5804/3.0=36...(12) QD2 LEU 38 - H LEU 90 lone 5 81 - 6 - 4.4/560=1 QD1 LEU 70 - H LEU 90 lone 3 100 - 3 - QD2 LEU 70 - H LEU 90 lone 3 100 - 3 - QG2 VAL 104 - H LEU 90 lone 2 61 - 3 - QG2 VAL 29 - H LEU 90 lone 2 97 - 2 - HG13 ILE 54 - H LEU 90 lone 1 96 - 1 - Peak 1596 from nnoeabs.peaks (0.88, 8.05, 119.58 ppm; 4.11 A): 1 out of 8 assignments used, quality = 0.98: * QD2 LEU 90 + H LEU 90 OK 98 100 - 98 - 4.4=80, 5811/3.0=34...(14) QG2 VAL 107 - H LEU 90 OK 12 81 - 15 - 10297=4, 5781/3.0=3...(5) QD2 LEU 38 - H LEU 90 lone 8 97 - 8 - 4.4/560=1 QG2 VAL 104 - H LEU 90 lone 5 100 - 5 - 5781/3.0=2 QG1 VAL 32 - H LEU 90 lone 4 77 - 5 - 2.1/1592=1 QG2 VAL 117 - H LEU 90 lone 2 70 - 3 - QG2 VAL 29 - H LEU 90 lone 1 81 - 1 - QG2 THR 9 - H LEU 90 lone 1 61 - 2 - Peak 1597 from nnoeabs.peaks (7.94, 7.94, 119.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 91 + H GLU 91 OK 100 100 - 100 Peak 1598 from nnoeabs.peaks (4.07, 7.94, 119.03 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 91 + H GLU 91 OK 100 100 - 100 - 2.9=100 Peak 1599 from nnoeabs.peaks (2.13, 7.94, 119.03 ppm; 3.09 A): 2 out of 11 assignments used, quality = 0.86: * HB2 GLU 91 + H GLU 91 OK 83 100 - 83 - 4.0=45, 1.8/5829=24...(11) HB3 GLU 92 + H GLU 91 OK 15 65 - 22 - 4.0/573=12, 1.8/1600=4...(5) HB2 GLU 119 - H GLU 91 lone 9 96 - 10 - 5823=3, 1.8/5823=2, 7764/4.6=1 HB3 GLU 119 - H GLU 91 lone 8 90 - 9 - 5823=3, 1.8/5823=2, 7764/4.6=1 HB3 GLU 47 - H GLU 91 lone 6 77 - 7 - 3.0/1602=2, 1.8/1600=1...(4) HB VAL 107 - H GLU 91 lone 3 94 - 4 - 2.1/572=2 HB2 LEU 38 - H GLU 91 lone 3 90 - 3 - HG3 GLN 83 - H GLU 91 lone 1 96 - 1 - HB2 GLU 21 - H GLU 91 lone 1 94 - 1 - HG2 GLU 41 - H GLU 91 lone 1 96 - 1 - HG2 GLU 21 - H GLU 91 lone 0 61 - 0 - Peak 1600 from nnoeabs.peaks (2.07, 7.94, 119.03 ppm; 3.20 A): 3 out of 13 assignments used, quality = 0.90: * HB3 GLU 91 + H GLU 91 OK 84 100 - 84 - 4.0=50, 1.8/1599=23...(9) HB2 LYS 94 + H GLU 91 OK 23 100 - 23 - 8194/2.9=7, 1.8/569=4...(7) HB2 GLU 92 + H GLU 91 OK 18 73 - 24 - 4.0/573=13, 1.8/1599=4...(6) HB2 GLU 47 - H GLU 91 lone 7 84 - 8 - 3.0/1602=2, 1.8/1599=2...(4) HG2 GLU 119 - H GLU 91 lone 6 97 - 6 - 3.0/5823=2, 3.0/1599=2 HB3 GLU 98 - H GLU 91 lone 4 73 - 6 - 2.9/10159=2, 4.3/1934=2 HB3 PHE 79 - H GLU 91 lone 4 98 - 4 - 3.0/2139=2 HB3 MET 121 - H GLU 91 lone 4 96 - 4 - 4.6/566=2, 1.8/1602=1 HB2 GLU 13 - H GLU 91 lone 3 99 - 3 - 576/4.6=1 HB3 GLU 112 - H GLU 91 lone 2 81 - 2 - HB2 GLU 112 - H GLU 91 lone 2 77 - 2 - HB2 GLU 103 - H GLU 91 lone 1 65 - 2 - HB2 GLN 28 - H GLU 91 lone 1 97 - 1 - Peak 1601 from nnoeabs.peaks (2.42, 7.94, 119.03 ppm; 3.90 A): 2 out of 8 assignments used, quality = 0.90: * HG2 GLU 91 + H GLU 91 OK 89 100 - 89 - 5.2=42, 5821/2.9=30...(10) HG2 GLN 122 + H GLU 91 OK 10 90 - 11 - 3.9/8308=7, 5.1/566=3 HG2 GLN 85 - H GLU 91 lone 3 92 - 3 - HG3 GLN 85 - H GLU 91 lone 3 87 - 3 - HB2 ASP 110 - H GLU 91 lone 2 100 - 2 - 4.4/2138=1 HG3 GLN 62 - H GLU 91 lone 1 99 - 1 - HG2 GLN 62 - H GLU 91 lone 1 99 - 1 - HG2 MET 1 - H GLU 91 lone 1 87 - 1 - Peak 1602 from nnoeabs.peaks (2.29, 7.94, 119.03 ppm; 3.75 A): 4 out of 10 assignments used, quality = 0.90: * HG3 GLU 91 + H GLU 91 OK 86 100 - 86 - 5.2=37, 1.8/1601=28...(12) HG2 GLU 47 + H GLU 91 OK 11 96 - 12 - ~11350=2, 3.0/1599=2...(7) HG2 GLU 87 + H GLU 91 OK 11 96 - 12 - 11569/4.6=5, 10057/4.6=4 HG3 GLU 87 + H GLU 91 OK 11 96 - 12 - 11569/4.6=5, 10057/4.6=4 HB2 MET 121 - H GLU 91 lone 5 100 - 5 - 4.6/566=3 HG2 GLU 111 - H GLU 91 lone 4 100 - 3 - HG3 GLU 111 - H GLU 91 lone 2 65 - 3 - HG2 GLU 69 - H GLU 91 lone 2 81 - 3 - HB2 GLU 37 - H GLU 91 lone 2 65 - 3 - HB3 ASN 8 - H GLU 91 lone 1 81 - 2 - Peak 1603 from nnoeabs.peaks (8.09, 8.09, 118.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 92 + H GLU 92 OK 100 100 - 100 Peak 1604 from nnoeabs.peaks (4.03, 8.09, 118.67 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 92 + H GLU 92 OK 100 100 - 100 - 3.0=100 Peak 1605 from nnoeabs.peaks (2.05, 8.09, 118.67 ppm; 3.07 A): 5 out of 18 assignments used, quality = 0.95: * HB2 GLU 92 + H GLU 92 OK 78 100 - 78 - 4.0=45, 1.8/1606=15...(22) HB3 GLU 91 + H GLU 92 OK 46 73 - 62 - 4.6=29, 3.0/574=16...(9) HB2 GLU 89 + H GLU 92 OK 31 84 - 37 - 3.0/8178=12, 3.0/1608=6...(14) HB3 GLU 89 + H GLU 92 OK 31 84 - 37 - 3.0/8178=12, 3.0/1608=6...(14) HB2 GLU 13 + H GLU 92 OK 12 90 - 13 - 3.0/1607=2, 5853=2...(5) HB2 LYS 94 - H GLU 92 poor 7 70 - 10 - 3.9/2146=4, 8194/3.6=3 HB2 GLU 66 - H GLU 92 lone 6 84 - 7 - HB2 GLU 47 - H GLU 92 lone 3 100 - 3 - 8091/3.6=1 HB3 GLU 98 - H GLU 92 lone 3 100 - 3 - HB3 GLN 100 - H GLU 92 lone 3 99 - 3 - HB3 GLU 87 - H GLU 92 lone 2 84 - 2 - HB3 GLU 48 - H GLU 92 lone 2 84 - 2 - HB2 GLU 48 - H GLU 92 lone 2 84 - 2 - HB3 GLN 85 - H GLU 92 lone 1 84 - 1 - HB3 MET 67 - H GLU 92 lone 1 99 - 1 - HB2 GLN 28 - H GLU 92 lone 1 94 - 1 - HG3 GLU 52 - H GLU 92 lone 0 94 - 0 - HB VAL 117 - H GLU 92 lone 0 98 - 0 - Peak 1606 from nnoeabs.peaks (2.11, 8.09, 118.67 ppm; 3.01 A): 4 out of 16 assignments used, quality = 0.89: * HB3 GLU 92 + H GLU 92 OK 74 100 - 74 - 4.0=42, 1.8/5853=15...(18) HB2 GLU 91 + H GLU 92 OK 40 65 - 61 - 4.6=27, 3.0/574=16...(11) HB3 GLU 119 + H GLU 92 OK 16 97 - 16 - 5859=4, 1.8/7764=3, 3.0/576=2 HB2 GLU 119 + H GLU 92 OK 14 92 - 15 - 5859=3, 1.8/5859=3, 3.0/576=2 HB VAL 107 - H GLU 92 lone 8 94 - 8 - 2.1/10296=4, 582/4.6=2 HB3 GLU 69 - H GLU 92 lone 6 65 - 10 - ~8133=2, 3.0/1608=2...(4) HB3 GLU 66 - H GLU 92 lone 4 81 - 5 - HB3 GLU 47 - H GLU 92 lone 3 100 - 3 - 8093/3.6=1 HB2 GLU 111 - H GLU 92 lone 3 96 - 3 - HB2 LEU 38 - H GLU 92 lone 2 97 - 2 - HB2 GLU 87 - H GLU 92 lone 2 84 - 2 - HG3 GLN 83 - H GLU 92 lone 1 92 - 1 - HB2 GLU 21 - H GLU 92 lone 1 94 - 1 - HG2 GLU 21 - H GLU 92 lone 1 100 - 1 - HG3 GLU 21 - H GLU 92 lone 0 100 - 0 - HG2 GLU 52 - H GLU 92 lone 0 97 - 0 - Peak 1607 from nnoeabs.peaks (2.32, 8.09, 118.67 ppm; 3.82 A): 2 out of 5 assignments used, quality = 0.94: * HG2 GLU 92 + H GLU 92 OK 87 100 - 87 - 4.8=51, 1.8/1608=19...(22) HG3 GLU 89 + H GLU 92 OK 54 99 - 55 - 3.8/8178=15, 1.8/1608=12...(12) HG3 GLU 13 - H GLU 92 OK 25 98 - 26 - 5865=4, ~2625=4...(10) HG3 GLU 103 - H GLU 92 OK 14 97 - 14 - 1.8/1608=3, 5865=2...(6) HG3 GLU 48 - H GLU 92 lone 5 100 - 5 - 5865=1 Peak 1608 from nnoeabs.peaks (2.27, 8.09, 118.67 ppm; 3.65 A): 4 out of 7 assignments used, quality = 0.95: * HG3 GLU 92 + H GLU 92 OK 84 100 - 84 - 4.8=45, 1.8/1607=16...(25) HG2 GLU 89 + H GLU 92 OK 54 100 - 54 - 3.8/8178=13, 1.8/1607=10...(14) HG2 GLU 69 + H GLU 92 OK 17 96 - 18 - 5871=3, ~8133=2...(8) HG2 GLU 103 + H GLU 92 OK 12 94 - 13 - 1.8/1607=3, 5852/3.0=2...(6) HG3 GLU 111 - H GLU 92 lone 7 99 - 7 - 5871=1 HB2 GLU 37 - H GLU 92 lone 2 99 - 2 - HB3 ASN 8 - H GLU 92 lone 1 96 - 1 - Peak 1609 from nnoeabs.peaks (8.10, 8.10, 120.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H PHE 93 + H PHE 93 OK 100 100 - 100 Peak 1610 from nnoeabs.peaks (4.34, 8.10, 120.12 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 93 + H PHE 93 OK 100 100 - 100 - 3.0=100 Peak 1611 from nnoeabs.peaks (3.29, 8.10, 120.12 ppm; 3.06 A): 1 out of 1 assignment used, quality = 0.82: * HB2 PHE 93 + H PHE 93 OK 82 100 - 82 - 3.6=60, 1.8/1612=30...(6) Peak 1612 from nnoeabs.peaks (3.04, 8.10, 120.12 ppm; 3.23 A): 1 out of 4 assignments used, quality = 0.89: * HB3 PHE 93 + H PHE 93 OK 89 100 - 89 - 3.6=71, 1.8/1611=37...(7) HE2 LYS 94 - H PHE 93 lone 4 70 - 6 - 588/4.6=5 HB2 PHE 51 - H PHE 93 lone 1 94 - 1 - HB2 ASN 11 - H PHE 93 lone 1 94 - 1 - Peak 1616 from nnoeabs.peaks (7.22, 8.10, 120.12 ppm; 4.16 A): 1 out of 3 assignments used, quality = 0.96: * QD PHE 93 + H PHE 93 OK 96 100 - 97 - 4.5=78, 2.4/1611=44...(6) HE21 GLN 83 - H PHE 93 lone 2 70 - 3 - HE22 GLN 83 - H PHE 93 lone 2 65 - 3 - Peak 1617 from nnoeabs.peaks (8.61, 8.61, 118.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 94 + H LYS 94 OK 100 100 - 100 Peak 1618 from nnoeabs.peaks (3.62, 8.61, 118.94 ppm; 3.47 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 94 + H LYS 94 OK 100 100 - 100 - 3.0=100 Peak 1619 from nnoeabs.peaks (2.07, 8.61, 118.94 ppm; 3.24 A): 3 out of 14 assignments used, quality = 0.89: * HB2 LYS 94 + H LYS 94 OK 86 100 - 86 - 3.9=58, 1.8/5945=21...(12) HB3 GLU 91 + H LYS 94 OK 15 100 - 15 - 3.0/2154=7, 4.6/2146=4 HB2 GLU 92 + H LYS 94 OK 12 70 - 17 - 4.6/585=10, 4.0/2146=5...(4) HG2 GLU 119 - H LYS 94 lone 7 98 - 7 - 11202/4.3=6 HB3 GLU 69 - H LYS 94 lone 3 61 - 4 - 4.6/1913=2, 4.0/2109=1 HB3 GLU 98 - H LYS 94 lone 2 70 - 3 - 595/4.5=2 HB2 GLU 13 - H LYS 94 lone 2 98 - 2 - HB3 MET 121 - H LYS 94 lone 1 97 - 1 - HB2 GLU 47 - H LYS 94 lone 1 81 - 1 - HB3 PHE 79 - H LYS 94 lone 1 99 - 1 - HB3 GLU 112 - H LYS 94 lone 1 84 - 1 - HB2 GLU 112 - H LYS 94 lone 1 81 - 1 - HB2 GLN 28 - H LYS 94 lone 0 96 - 1 - HB2 GLU 103 - H LYS 94 lone 0 70 - 0 - Peak 1620 from nnoeabs.peaks (1.74, 8.61, 118.94 ppm; 3.27 A): 3 out of 13 assignments used, quality = 0.91: * HB3 LYS 94 + H LYS 94 OK 86 100 - 86 - 3.9=59, 1.8/1619=23...(11) HB3 LEU 82 + H LYS 94 OK 23 100 - 23 - ~11491=7, 3.1/9986=7...(4) HB3 LEU 90 + H LYS 94 OK 18 84 - 22 - 3.0/2155=7, 3.0/10096=6...(5) HB2 LEU 80 - H LYS 94 poor 7 65 - 11 - 3.1/5502=4, 3.1/10100=4 HB2 LEU 68 - H LYS 94 lone 5 87 - 6 - 1.8/1621=1, 2.9/8145=1 HB2 LEU 114 - H LYS 94 lone 2 100 - 2 - HD3 LYS 123 - H LYS 94 lone 1 84 - 2 - HB3 LYS 49 - H LYS 94 lone 1 57 - 2 - HG3 ARG 105 - H LYS 94 lone 1 70 - 2 - HG2 ARG 118 - H LYS 94 lone 1 98 - 1 - HB2 LYS 106 - H LYS 94 lone 1 61 - 1 - HG12 ILE 15 - H LYS 94 lone 1 94 - 1 - HG2 LYS 17 - H LYS 94 lone 0 57 - 1 - Peak 1621 from nnoeabs.peaks (1.37, 8.61, 118.94 ppm; 4.15 A): 1 out of 7 assignments used, quality = 0.95: * HG2 LYS 94 + H LYS 94 OK 95 100 - 95 - 4.9=62, 1.8/1622=37...(11) HG2 LYS 40 - H LYS 94 poor 10 92 - 11 - 4.8/2156=3, 597/4.5=3...(4) HG3 LYS 43 - H LYS 94 lone 9 100 - 9 - 3.9/2154=3, 597/4.5=3 HB3 LEU 68 - H LYS 94 lone 8 87 - 9 - 2.9/8145=2, 4.6/2109=2...(4) HB3 LEU 81 - H LYS 94 lone 8 84 - 9 - 3.1/10100=3, 1.8/9943=2 HG LEU 14 - H LYS 94 lone 4 94 - 5 - 5929/3.0=1 HG2 LYS 77 - H LYS 94 lone 1 81 - 2 - Peak 1622 from nnoeabs.peaks (1.32, 8.61, 118.94 ppm; 4.08 A): 1 out of 2 assignments used, quality = 0.95: * HG3 LYS 94 + H LYS 94 OK 95 100 - 95 - 4.9=59, 5930/3.0=31...(13) HB3 LEU 55 - H LYS 94 lone 5 100 - 5 - 5930/3.0=2 Peak 1623 from nnoeabs.peaks (1.54, 8.61, 118.94 ppm; 4.75 A): 2 out of 6 assignments used, quality = 1.00: * HD2 LYS 94 + H LYS 94 OK 94 100 - 94 - 6.3=42, 3.0/1622=37...(10) HD3 LYS 94 + H LYS 94 OK 94 100 - 94 - 6.3=42, 3.0/1622=37...(10) HG2 LYS 65 - H LYS 94 OK 14 87 - 16 - 3.0/10096=4, 3.0/10096=4...(4) QB ALA 46 - H LYS 94 OK 13 84 - 15 - 9453/4.5=6, 9459/3.9=3...(4) HG LEU 38 - H LYS 94 lone 4 73 - 5 - 2.1/10099=2, ~10101=2 HG LEU 6 - H LYS 94 lone 1 70 - 2 - Peak 1624 from nnoeabs.peaks (1.54, 8.61, 118.94 ppm; 4.75 A): 2 out of 6 assignments used, quality = 1.00: HD2 LYS 94 + H LYS 94 OK 94 100 - 94 - 6.3=42, 3.0/1622=37...(10) * HD3 LYS 94 + H LYS 94 OK 94 100 - 94 - 6.3=42, 3.0/1622=37...(10) HG2 LYS 65 - H LYS 94 OK 14 87 - 16 - 3.0/10096=4, 3.0/10096=4...(4) QB ALA 46 - H LYS 94 OK 13 84 - 15 - 9453/4.5=6, 9459/3.9=3...(4) HG LEU 38 - H LYS 94 lone 4 73 - 5 - 2.1/10099=2, ~10101=2 HG LEU 6 - H LYS 94 lone 1 70 - 2 - Peak 1627 from nnoeabs.peaks (8.16, 8.16, 117.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 95 + H ARG 95 OK 100 100 - 100 Peak 1628 from nnoeabs.peaks (4.15, 8.16, 117.19 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 95 + H ARG 95 OK 100 100 - 100 - 3.0=100 Peak 1629 from nnoeabs.peaks (1.90, 8.16, 117.19 ppm; 3.06 A): 6 out of 21 assignments used, quality = 0.95: * HB2 ARG 95 + H ARG 95 OK 77 100 - 77 - 3.9=47, 1.8/1630=23...(11) HB2 LYS 96 + H ARG 95 OK 37 99 - 37 - 4.1/1938=10, 1.8/1630=10...(11) HB2 LEU 45 + H ARG 95 OK 35 97 - 36 - 3997=8, 3.0/4011=7...(11) HG LEU 45 + H ARG 95 OK 27 77 - 35 - 4011=7, 2.1/4025=6...(11) HB3 LYS 43 + H ARG 95 OK 14 99 - 14 - 4.0/2057=2, 3.0/597=2...(6) HB2 LYS 43 + H ARG 95 OK 12 92 - 13 - 4.0/2057=2, 3.0/597=2...(6) HB3 LYS 44 - H ARG 95 poor 10 94 - 11 - 4.0/1889=2, 1637/4.6=2 HB2 LYS 44 - H ARG 95 poor 8 81 - 10 - 4.0/1889=2, 1637/4.6=1 HB2 LYS 73 - H ARG 95 lone 6 100 - 5 - HB3 LYS 73 - H ARG 95 lone 6 100 - 5 - HB3 LYS 20 - H ARG 95 lone 5 97 - 5 - HB2 LYS 20 - H ARG 95 lone 5 97 - 5 - HB2 GLU 128 - H ARG 95 lone 3 99 - 3 - HB3 LYS 123 - H ARG 95 lone 3 70 - 4 - 2.9/8199=1 HB ILE 71 - H ARG 95 lone 2 100 - 2 - HB3 LYS 16 - H ARG 95 lone 2 73 - 2 - HB2 LYS 16 - H ARG 95 lone 2 70 - 2 - QE MET 67 - H ARG 95 lone 1 70 - 1 - HB2 LYS 49 - H ARG 95 lone 1 100 - 1 - HB ILE 7 - H ARG 95 lone 1 99 - 1 - HB ILE 15 - H ARG 95 lone 1 65 - 1 - Peak 1630 from nnoeabs.peaks (1.97, 8.16, 117.19 ppm; 3.09 A): 2 out of 8 assignments used, quality = 0.83: * HB3 ARG 95 + H ARG 95 OK 76 100 - 76 - 3.9=48, 1.8/6023=16...(11) HB3 LYS 96 + H ARG 95 OK 32 100 - 32 - 4.1/1938=10, 3.0/8197=6...(8) HB3 GLU 128 - H ARG 95 lone 1 73 - 2 - HB VAL 22 - H ARG 95 lone 1 81 - 1 - HB3 GLU 103 - H ARG 95 lone 0 70 - 1 - HB3 GLU 21 - H ARG 95 lone 0 100 - 0 - HB VAL 29 - H ARG 95 lone 0 70 - 0 - HB3 GLU 52 - H ARG 95 lone 0 65 - 0 - Peak 1631 from nnoeabs.peaks (1.88, 8.16, 117.19 ppm; 3.11 A): 2 out of 15 assignments used, quality = 0.85: * HG2 ARG 95 + H ARG 95 OK 74 100 - 74 - 4.7=30, 3.0/1630=17...(15) HG LEU 45 + H ARG 95 OK 41 98 - 42 - 4011=10, 2.1/4025=6...(11) QE MET 42 - H ARG 95 lone 6 92 - 6 - 10097/4.5=2, 5.4/8077=2 HB3 LYS 20 - H ARG 95 lone 5 81 - 6 - HB2 LYS 20 - H ARG 95 lone 5 81 - 6 - HB2 LYS 16 - H ARG 95 lone 4 99 - 4 - HB3 LYS 16 - H ARG 95 lone 4 99 - 4 - HB3 LYS 73 - H ARG 95 lone 4 65 - 5 - HB2 LYS 73 - H ARG 95 lone 3 61 - 5 - HB2 LEU 63 - H ARG 95 lone 2 99 - 2 - HG LEU 127 - H ARG 95 lone 2 65 - 4 - ~10653=1 QE MET 67 - H ARG 95 lone 2 99 - 2 - HB3 ARG 118 - H ARG 95 lone 1 99 - 1 - HB2 ARG 105 - H ARG 95 lone 0 61 - 1 - HB ILE 7 - H ARG 95 lone 0 73 - 1 - Peak 1632 from nnoeabs.peaks (1.68, 8.16, 117.19 ppm; 3.60 A): 3 out of 20 assignments used, quality = 0.94: * HG3 ARG 95 + H ARG 95 OK 87 100 - 87 - 4.7=46, 3.0/1630=22...(14) HD2 LYS 96 + H ARG 95 OK 33 99 - 34 - 3.4/1630=8, 5.7/1938=8...(9) HD3 LYS 96 + H ARG 95 OK 33 97 - 34 - 3.4/1630=8, 5.7/1938=8...(9) HD2 LYS 43 - H ARG 95 OK 13 100 - 13 - 2.9/597=3, 5.9/2057=2...(6) HD3 LYS 43 - H ARG 95 OK 12 96 - 13 - 2.9/597=3, 5.9/2057=2...(5) HD3 LYS 40 - H ARG 95 OK 10 99 - 10 - 2.9/597=3, 6.2/1938=2...(4) HD2 LYS 40 - H ARG 95 OK 10 98 - 10 - 2.9/597=3, 6.2/1938=2...(4) HD3 LYS 20 - H ARG 95 lone 6 90 - 7 - HD3 LYS 73 - H ARG 95 lone 6 96 - 6 - HD2 LYS 20 - H ARG 95 lone 6 87 - 7 - HD2 LYS 73 - H ARG 95 lone 6 94 - 6 - HD2 LYS 16 - H ARG 95 lone 3 92 - 3 - HD3 LYS 16 - H ARG 95 lone 3 84 - 3 - HB ILE 56 - H ARG 95 lone 1 84 - 2 - HG12 ILE 71 - H ARG 95 lone 1 65 - 2 - HD2 LYS 17 - H ARG 95 lone 1 99 - 1 - HB ILE 54 - H ARG 95 lone 1 98 - 1 - HD3 LYS 115 - H ARG 95 lone 0 73 - 1 - HD2 LYS 115 - H ARG 95 lone 0 61 - 1 - HB2 GLU 52 - H ARG 95 lone 0 61 - 1 - Peak 1633 from nnoeabs.peaks (3.22, 8.16, 117.19 ppm; 5.06 A): 2 out of 4 assignments used, quality = 1.00: * HD2 ARG 95 + H ARG 95 OK 97 100 - 97 - 5.9=63, 3.9/1630=29...(16) HD3 ARG 95 + H ARG 95 OK 97 100 - 97 - 5.9=63, 3.9/1630=29...(16) HB2 PHE 120 - H ARG 95 lone 4 99 - 4 - 3.0/2159=2 HA ILE 15 - H ARG 95 lone 2 100 - 2 - Peak 1634 from nnoeabs.peaks (3.22, 8.16, 117.19 ppm; 5.06 A): 2 out of 4 assignments used, quality = 1.00: * HD3 ARG 95 + H ARG 95 OK 97 100 - 97 - 5.9=63, 3.9/1630=29...(16) HD2 ARG 95 + H ARG 95 OK 97 100 - 97 - 5.9=63, 3.9/1630=29...(16) HB2 PHE 120 - H ARG 95 lone 4 99 - 4 - 3.0/2159=2 HA ILE 15 - H ARG 95 lone 2 99 - 2 - Peak 1635 from nnoeabs.peaks (7.79, 7.79, 119.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 96 + H LYS 96 OK 100 100 - 100 Peak 1636 from nnoeabs.peaks (4.07, 7.79, 119.58 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 96 + H LYS 96 OK 100 100 - 100 - 2.9=100 Peak 1637 from nnoeabs.peaks (1.90, 7.79, 119.58 ppm; 3.38 A): 2 out of 20 assignments used, quality = 0.95: * HB2 LYS 96 + H LYS 96 OK 86 100 - 86 - 4.1=58, 1.8/6091=24...(21) HB2 ARG 95 + H LYS 96 OK 68 99 - 68 - 4.6=40, 1.8/606=16...(10) HB3 LYS 44 - H LYS 96 OK 42 99 - 42 - 6081=6, 2.9/1640=6...(18) HB2 LYS 44 - H LYS 96 OK 38 92 - 42 - 2.9/1640=6, 6081=5...(18) HB2 LEU 45 - H LYS 96 OK 14 100 - 14 - 4.0/603=5, 3997/4.6=5 HB3 LYS 43 - H LYS 96 lone 9 100 - 9 - 6081=1 HB2 LYS 43 - H LYS 96 lone 9 98 - 9 - 6081=1 HG LEU 45 - H LYS 96 poor 9 61 - 14 - 5.0/603=4, 4012/3.6=3...(5) HB2 LYS 20 - H LYS 96 lone 7 90 - 8 - HB3 LYS 20 - H LYS 96 lone 7 90 - 8 - HB3 LYS 123 - H LYS 96 lone 7 84 - 9 - 2.9/1640=1, 1.8/3668=1 HB2 LYS 73 - H LYS 96 lone 7 98 - 7 - HB3 LYS 73 - H LYS 96 lone 7 97 - 7 - HB2 GLU 128 - H LYS 96 lone 5 100 - 5 - ~8329=1, 7789=1 HB ILE 71 - H LYS 96 lone 2 99 - 2 - HB2 LYS 49 - H LYS 96 lone 1 100 - 1 - HB ILE 7 - H LYS 96 lone 1 94 - 1 - HB2 LEU 81 - H LYS 96 lone 0 65 - 1 - HB ILE 15 - H LYS 96 lone 0 81 - 0 - HG2 MET 121 - H LYS 96 lone 0 73 - 0 - Peak 1638 from nnoeabs.peaks (1.97, 7.79, 119.58 ppm; 3.60 A): 2 out of 9 assignments used, quality = 0.98: * HB3 LYS 96 + H LYS 96 OK 90 100 - 90 - 4.1=69, 2.9/1640=12...(26) HB3 ARG 95 + H LYS 96 OK 76 100 - 76 - 4.6=47, 3.9/1938=15...(14) HB2 LYS 40 - H LYS 96 OK 28 61 - 46 - 1.8/3668=10, 2.7/3688=8...(11) HB3 GLU 128 - H LYS 96 lone 3 70 - 5 - 1.8/7789=1, 8329/2.9=1 HB VAL 22 - H LYS 96 lone 1 84 - 1 - HB3 GLU 21 - H LYS 96 lone 1 100 - 1 - HB3 GLU 103 - H LYS 96 lone 1 73 - 1 - HB VAL 29 - H LYS 96 lone 0 65 - 1 - HB3 GLU 52 - H LYS 96 lone 0 61 - 1 - Peak 1639 from nnoeabs.peaks (1.44, 7.79, 119.58 ppm; 4.71 A): 2 out of 16 assignments used, quality = 0.99: * HG2 LYS 96 + H LYS 96 OK 98 100 - 98 - 5.1=80, 2.9/6091=29...(25) HG3 LYS 44 + H LYS 96 OK 67 100 - 67 - 1.8/1640=13, 6101=12...(23) HG2 LYS 39 - H LYS 96 OK 37 70 - 53 - 1.8/7476=13, 4.9/1939=11...(14) HB3 LEU 63 - H LYS 96 lone 6 81 - 8 - 1.8/607=2, 3.0/8110=1 HG LEU 80 - H LYS 96 lone 4 100 - 4 - 615/4.5=1 HG3 LYS 17 - H LYS 96 lone 2 90 - 2 - HB3 LEU 4 - H LYS 96 lone 2 100 - 2 - HB2 LEU 4 - H LYS 96 lone 2 100 - 2 - HG12 ILE 56 - H LYS 96 lone 2 84 - 2 - HG LEU 4 - H LYS 96 lone 2 90 - 2 - HG3 LYS 49 - H LYS 96 lone 2 65 - 2 - HG2 LYS 49 - H LYS 96 lone 2 65 - 2 - HB3 LYS 61 - H LYS 96 lone 1 96 - 1 - HG3 ARG 30 - H LYS 96 lone 1 87 - 1 - HB3 LEU 6 - H LYS 96 lone 1 65 - 1 - HG12 ILE 7 - H LYS 96 lone 1 61 - 1 - Peak 1640 from nnoeabs.peaks (1.57, 7.79, 119.58 ppm; 4.15 A): 2 out of 12 assignments used, quality = 0.95: * HG3 LYS 96 + H LYS 96 OK 91 100 - 91 - 5.1=55, 2.9/6091=25...(23) HG2 LYS 44 + H LYS 96 OK 49 87 - 56 - 6111=9, 1.8/6101=9...(23) HG2 LYS 123 - H LYS 96 OK 12 99 - 12 - 1.8/7476=2, 6076/2.9=2...(4) HG2 LYS 115 - H LYS 96 lone 4 94 - 5 - HD3 LYS 106 - H LYS 96 lone 4 96 - 4 - 11540/2.9=1, ~11540=1 HD2 LYS 106 - H LYS 96 lone 4 94 - 4 - 11540/2.9=1, ~11540=1 HB VAL 78 - H LYS 96 lone 3 84 - 4 - 3.7/1939=2 HB3 LEU 70 - H LYS 96 lone 3 100 - 3 - 4.5/2163=1 HG LEU 68 - H LYS 96 lone 1 65 - 1 - HG LEU 55 - H LYS 96 lone 1 99 - 1 - HG12 ILE 3 - H LYS 96 lone 1 94 - 1 - HG12 ILE 116 - H LYS 96 lone 1 81 - 1 - Peak 1641 from nnoeabs.peaks (1.68, 7.79, 119.58 ppm; 4.55 A): 5 out of 19 assignments used, quality = 1.00: * HD2 LYS 96 + H LYS 96 OK 93 100 - 93 - 5.7=51, 3.4/6091=25...(32) HD3 LYS 96 + H LYS 96 OK 93 100 - 93 - 5.7=51, 3.4/6091=25...(32) HG3 ARG 95 + H LYS 96 OK 82 99 - 83 - 1.8/607=23, 7792=21...(16) HD3 LYS 40 + H LYS 96 OK 45 100 - 45 - 2.9/3688=11, 3.6/3658=11...(11) HD2 LYS 40 + H LYS 96 OK 45 100 - 45 - 2.9/3688=11, 3.6/3658=11...(11) HG3 LYS 39 - H LYS 96 OK 33 65 - 51 - 1.8/7475=13, 4.9/1939=10...(13) HD3 LYS 20 - H LYS 96 OK 21 98 - 22 - 3.4/607=2, 3.4/607=2...(11) HD2 LYS 20 - H LYS 96 OK 21 97 - 22 - 3.4/607=2, 3.4/607=2...(11) HD2 LYS 43 - H LYS 96 OK 21 100 - 21 - 6121=2, 6097/4.1=2...(9) HD3 LYS 43 - H LYS 96 OK 21 100 - 21 - 6121=2, 6097/4.1=2...(9) HD3 LYS 73 - H LYS 96 OK 20 100 - 20 - 6097/4.1=2, 6077/2.9=2...(12) HD2 LYS 73 - H LYS 96 OK 20 99 - 20 - 6097/4.1=2, 6077/2.9=2...(12) HG3 LYS 123 - H LYS 96 OK 10 65 - 15 - 1.8/1640=3, 4.7/2163=2...(5) HD2 LYS 16 - H LYS 96 lone 9 99 - 9 - HD3 LYS 16 - H LYS 96 lone 8 96 - 8 - HG12 ILE 71 - H LYS 96 lone 4 84 - 4 - 4.6/2163=2 HD2 LYS 17 - H LYS 96 lone 3 100 - 3 - HB ILE 56 - H LYS 96 lone 2 96 - 2 - HB ILE 54 - H LYS 96 lone 2 100 - 2 - Peak 1642 from nnoeabs.peaks (1.68, 7.79, 119.58 ppm; 4.55 A): 5 out of 20 assignments used, quality = 1.00: * HD3 LYS 96 + H LYS 96 OK 93 100 - 93 - 5.7=51, 3.4/6091=25...(32) HD2 LYS 96 + H LYS 96 OK 93 100 - 93 - 5.7=51, 3.4/6091=25...(32) HG3 ARG 95 + H LYS 96 OK 80 97 - 83 - 1.8/607=23, 7792=21...(16) HD3 LYS 40 + H LYS 96 OK 45 100 - 45 - 2.9/3688=11, 3.6/3658=11...(11) HD2 LYS 40 + H LYS 96 OK 45 100 - 45 - 2.9/3688=11, 3.6/3658=11...(11) HD2 LYS 44 - H LYS 96 OK 39 65 - 60 - 2.9/1640=10, 2.9/1639=9...(23) HG3 LYS 39 - H LYS 96 OK 38 73 - 52 - 1.8/7475=13, 4.9/1939=10...(13) HD3 LYS 20 - H LYS 96 OK 22 99 - 22 - 3.4/607=2, 3.4/607=2...(11) HD2 LYS 20 - H LYS 96 OK 21 99 - 22 - 3.4/607=2, 3.4/607=2...(11) HD2 LYS 43 - H LYS 96 OK 21 99 - 21 - 6121=2, 6097/4.1=2...(9) HD3 LYS 43 - H LYS 96 OK 21 100 - 21 - 6131=2, 6097/4.1=2...(9) HD3 LYS 73 - H LYS 96 OK 20 100 - 20 - 6097/4.1=2, 6077/2.9=2...(12) HD2 LYS 73 - H LYS 96 OK 20 100 - 20 - 6097/4.1=2, 6077/2.9=2...(12) HG3 LYS 123 - H LYS 96 OK 12 73 - 16 - 1.8/1640=3, 4.7/2163=2...(5) HD2 LYS 16 - H LYS 96 lone 9 100 - 9 - HD3 LYS 16 - H LYS 96 lone 8 98 - 8 - HG12 ILE 71 - H LYS 96 lone 4 90 - 4 - 4.6/2163=2 HD2 LYS 17 - H LYS 96 lone 3 100 - 3 - HB ILE 56 - H LYS 96 lone 2 98 - 2 - HB ILE 54 - H LYS 96 lone 2 100 - 2 - Peak 1645 from nnoeabs.peaks (7.83, 7.83, 118.55 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ILE 97 + H ILE 97 OK 100 100 - 100 H LYS 39 + H LYS 39 OK 91 91 - 100 Peak 1646 from nnoeabs.peaks (3.94, 7.83, 118.55 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 97 + H ILE 97 OK 100 100 - 100 - 3.0=100 Peak 1647 from nnoeabs.peaks (1.81, 7.83, 118.55 ppm; 3.47 A): 2 out of 20 assignments used, quality = 0.89: * HB ILE 97 + H ILE 97 OK 86 100 - 86 - 3.9=68, 2.9/1649=17...(9) HB ILE 97 + H LYS 39 OK 23 92 - 25 - 6168=7, 2.9/1649=5...(6) HG2 ARG 105 - H ILE 97 lone 3 100 - 3 - 11016/4.0=1 HB3 ARG 105 - H ILE 97 lone 3 96 - 3 - 10114/4.0=1 HB2 LEU 64 - H ILE 97 lone 2 61 - 3 - 11052/4.7=1 HB ILE 3 - H ILE 97 lone 1 100 - 1 - HB ILE 3 - H LYS 39 lone 1 91 - 1 - HG12 ILE 5 - H ILE 97 lone 1 100 - 1 - HB ILE 18 - H ILE 97 lone 1 84 - 1 - HB ILE 57 - H ILE 97 lone 1 77 - 1 - HG2 ARG 105 - H LYS 39 lone 1 91 - 1 - HB3 ARG 105 - H LYS 39 lone 1 84 - 1 - HB2 LEU 14 - H ILE 97 lone 1 77 - 1 - HB2 ARG 118 - H ILE 97 lone 1 94 - 1 - HB2 LEU 64 - H LYS 39 lone 1 51 - 1 - HB ILE 57 - H LYS 39 lone 0 65 - 1 - HG12 ILE 5 - H LYS 39 lone 0 92 - 0 - HB2 ARG 118 - H LYS 39 lone 0 82 - 0 - HB2 LEU 14 - H LYS 39 lone 0 65 - 0 - HB ILE 18 - H LYS 39 lone 0 72 - 0 - Peak 1648 from nnoeabs.peaks (0.68, 7.83, 118.55 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 97 + H ILE 97 OK 100 100 - 100 - 4.0=100 Peak 1649 from nnoeabs.peaks (1.00, 7.83, 118.55 ppm; 3.86 A): 2 out of 6 assignments used, quality = 0.90: * HG12 ILE 97 + H ILE 97 OK 87 100 - 87 - 4.8=53, 2.9/1647=22...(9) HG12 ILE 97 + H LYS 39 OK 26 92 - 29 - 6182=8, 2.1/1651=8...(6) QD1 LEU 127 - H ILE 97 lone 5 94 - 6 - 2.1/1650=1, 11289/7695=1 HG13 ILE 71 - H ILE 97 lone 3 61 - 5 - ~9783=3 QD1 LEU 127 - H LYS 39 lone 2 82 - 2 - HG13 ILE 71 - H LYS 39 lone 0 51 - 1 - Peak 1650 from nnoeabs.peaks (0.93, 7.83, 118.55 ppm; 3.52 A): 3 out of 12 assignments used, quality = 0.91: * HG13 ILE 97 + H ILE 97 OK 79 100 - 79 - 4.8=40, 1.8/1649=22...(8) QG1 VAL 104 + H ILE 97 OK 43 99 - 43 - 10229/4.7=13...(9) HG13 ILE 97 + H LYS 39 OK 23 92 - 25 - 6189=7, 1.8/1649=7...(5) QG1 VAL 104 - H LYS 39 poor 10 90 - 11 - 10229/1651=2, 2.1/216=2...(5) QD1 LEU 70 - H ILE 97 poor 8 61 - 13 - ~9770=3, 9769/3.0=2...(6) QD2 LEU 127 - H ILE 97 lone 5 98 - 5 - 10829/4698=1, 2.1/1649=1 QD2 LEU 127 - H LYS 39 lone 2 88 - 2 - HG3 LYS 53 - H ILE 97 lone 1 92 - 1 - HG13 ILE 54 - H ILE 97 lone 1 81 - 1 - QD1 LEU 70 - H LYS 39 lone 1 51 - 1 - HG13 ILE 54 - H LYS 39 lone 0 68 - 1 - HG3 LYS 53 - H LYS 39 lone 0 80 - 1 - Peak 1651 from nnoeabs.peaks (0.36, 7.83, 118.55 ppm; 4.28 A): 1 out of 2 assignments used, quality = 0.96: * QD1 ILE 97 + H ILE 97 OK 96 100 - 96 - 4.7=75, 6167/3.0=35...(13) QD1 ILE 97 - H LYS 39 OK 33 92 - 37 - 6196=10, 2.1/1649=9...(8) Peak 1652 from nnoeabs.peaks (8.67, 8.67, 121.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 98 + H GLU 98 OK 100 100 - 100 Peak 1653 from nnoeabs.peaks (4.34, 8.67, 121.98 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 98 + H GLU 98 OK 100 100 - 100 - 3.0=100 Peak 1654 from nnoeabs.peaks (2.18, 8.67, 121.98 ppm; 3.48 A): 3 out of 9 assignments used, quality = 0.91: * HB2 GLU 98 + H GLU 98 OK 89 100 - 89 - 4.0=64, 1.8/6215=24...(12) HB2 GLN 85 + H GLU 98 OK 11 98 - 11 - 6209=4, 1.8/1655=2, 6223/5.1=1 HG3 GLU 66 + H GLU 98 OK 11 96 - 11 - 1.8/1656=2, 3.0/1655=2...(5) HB3 GLU 37 - H GLU 98 lone 10 99 - 10 - 3.0/1657=3, 6209=2, 630/4.6=1 HB3 GLU 13 - H GLU 98 lone 2 61 - 3 - HB3 GLN 62 - H GLU 98 lone 1 87 - 1 - HB2 GLN 62 - H GLU 98 lone 1 87 - 1 - HB2 MET 42 - H GLU 98 lone 1 87 - 1 - HB3 MET 1 - H GLU 98 lone 1 61 - 1 - Peak 1655 from nnoeabs.peaks (2.05, 8.67, 121.98 ppm; 3.70 A): 1 out of 18 assignments used, quality = 0.94: * HB3 GLU 98 + H GLU 98 OK 94 100 - 94 - 4.0=77, 1.8/1654=28...(12) HB3 GLN 100 - H GLU 98 OK 13 99 - 13 - 10111/3.6=4, 6215=3...(4) HB2 GLU 66 - H GLU 98 OK 11 84 - 13 - 3.0/1654=3, 6215=2...(4) HB2 LYS 94 - H GLU 98 poor 10 70 - 14 - 3.0/2175=11, 11454/626=1 HB3 GLN 85 - H GLU 98 poor 9 84 - 10 - 1.8/1654=3, 6215=2, 6224/5.1=1 HB3 MET 67 - H GLU 98 lone 9 99 - 9 - 9709/4.1=3, 10111/3.6=1 HB2 GLU 92 - H GLU 98 lone 7 100 - 7 - 8180/2174=2, 4.0/1941=1 HB2 GLU 89 - H GLU 98 lone 7 84 - 8 - 3.0/2174=3, 6215=1, 1.8/6215=1 HB3 GLU 89 - H GLU 98 lone 7 84 - 8 - 3.0/2174=3, 6215=1, 1.8/6215=1 HB2 GLU 13 - H GLU 98 lone 4 90 - 5 - HB3 GLU 91 - H GLU 98 lone 2 73 - 3 - 631/4.6=1 HB3 GLU 87 - H GLU 98 lone 1 84 - 2 - HB2 GLU 47 - H GLU 98 lone 1 100 - 1 - HB2 GLN 28 - H GLU 98 lone 1 94 - 1 - HB VAL 117 - H GLU 98 lone 1 98 - 1 - HG3 GLU 52 - H GLU 98 lone 1 94 - 1 - HB2 GLU 48 - H GLU 98 lone 1 84 - 1 - HB3 GLU 48 - H GLU 98 lone 1 84 - 1 - Peak 1656 from nnoeabs.peaks (2.38, 8.67, 121.98 ppm; 4.03 A): 3 out of 6 assignments used, quality = 0.94: * HG2 GLU 98 + H GLU 98 OK 92 100 - 92 - 5.1=51, 1.8/1657=30...(10) HG2 GLN 25 + H GLU 98 OK 25 98 - 26 - ~10160=15, 6207/3.0=7...(5) HG2 GLU 66 + H GLU 98 OK 12 81 - 15 - 1.8/1654=4, 11066/4.1=3...(6) HG2 GLU 13 - H GLU 98 lone 4 73 - 6 - 6207/3.0=1 HB3 TYR 27 - H GLU 98 lone 4 99 - 4 - HG3 MET 67 - H GLU 98 lone 2 65 - 4 - 3.0/1655=2 Peak 1657 from nnoeabs.peaks (2.44, 8.67, 121.98 ppm; 3.93 A): 3 out of 5 assignments used, quality = 0.93: * HG3 GLU 98 + H GLU 98 OK 91 100 - 91 - 5.1=47, 1.8/6221=29...(13) HG2 GLU 37 + H GLU 98 OK 14 99 - 14 - 6227=4, 6208/3.0=3...(4) HG2 GLN 100 + H GLU 98 OK 11 99 - 12 - 10112/3.6=4, 3.0/1655=2...(4) HG3 GLU 69 - H GLU 98 lone 2 100 - 2 - HG2 MET 1 - H GLU 98 lone 2 96 - 2 - Peak 1658 from nnoeabs.peaks (8.10, 8.10, 115.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 99 + H SER 99 OK 100 100 - 100 Peak 1659 from nnoeabs.peaks (4.34, 8.10, 115.50 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 99 + H SER 99 OK 100 100 - 100 - 2.9=100 Peak 1660 from nnoeabs.peaks (4.00, 8.10, 115.50 ppm; 3.42 A): 2 out of 8 assignments used, quality = 0.96: * HB2 SER 99 + H SER 99 OK 80 100 - 80 - 4.0=62, 6235/2.9=14...(7) HB3 SER 99 + H SER 99 OK 80 100 - 80 - 4.0=62, 6235/2.9=14...(7) HA GLU 112 - H SER 99 lone 3 100 - 3 - 8244/4.6=1 HA GLU 111 - H SER 99 lone 1 96 - 1 - HA3 GLY 101 - H SER 99 lone 1 84 - 2 - HA LYS 17 - H SER 99 lone 1 99 - 1 - HA LEU 14 - H SER 99 lone 0 90 - 1 - HA3 GLY 75 - H SER 99 lone 0 73 - 0 - Peak 1661 from nnoeabs.peaks (4.00, 8.10, 115.50 ppm; 3.42 A): 2 out of 8 assignments used, quality = 0.96: HB2 SER 99 + H SER 99 OK 80 100 - 80 - 4.0=62, 6235/2.9=14...(7) * HB3 SER 99 + H SER 99 OK 80 100 - 80 - 4.0=62, 6235/2.9=14...(7) HA GLU 112 - H SER 99 lone 3 100 - 3 - 8244/4.6=1 HA GLU 111 - H SER 99 lone 1 96 - 1 - HA3 GLY 101 - H SER 99 lone 1 84 - 2 - HA LYS 17 - H SER 99 lone 1 99 - 1 - HA LEU 14 - H SER 99 lone 0 90 - 1 - HA3 GLY 75 - H SER 99 lone 0 73 - 0 - Peak 1662 from nnoeabs.peaks (7.62, 7.62, 119.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H GLN 100 + H GLN 100 OK 100 100 - 100 H LYS 115 + H LYS 115 OK 63 63 - 100 Peak 1663 from nnoeabs.peaks (4.31, 7.62, 119.30 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 100 + H GLN 100 OK 100 100 - 100 - 3.0=100 Peak 1664 from nnoeabs.peaks (2.21, 7.62, 119.30 ppm; 4.73 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 100 + H GLN 100 OK 100 100 - 100 - 4.0=100 Peak 1665 from nnoeabs.peaks (2.05, 7.62, 119.30 ppm; 3.90 A): 1 out of 34 assignments used, quality = 0.97: * HB3 GLN 100 + H GLN 100 OK 97 100 - 97 - 4.0=91, 4.4/638=19...(9) HB VAL 117 - H LYS 115 OK 27 67 - 40 - 8258/3.6=23, 10507/4.3=7...(7) HB3 GLU 98 - H GLN 100 OK 24 99 - 24 - 4.3/1942=15, 3.0/1666=4...(4) HB3 MET 67 - H GLN 100 OK 16 100 - 16 - 3.0/11179=11, 4.6/1911=2...(4) HB2 GLU 66 - H GLN 100 lone 7 96 - 7 - 4.1/2099=1 HB2 GLU 92 - H GLN 100 lone 5 99 - 5 - HB3 MET 67 - H LYS 115 lone 4 67 - 6 - 3.0/11179=2, 4.6/1911=2 HB2 GLU 66 - H LYS 115 lone 4 60 - 7 - 3.7/2091=2 HB2 GLU 89 - H GLN 100 lone 3 96 - 4 - HB3 GLU 89 - H GLN 100 lone 3 96 - 4 - HB3 GLN 100 - H LYS 115 lone 3 67 - 5 - HB2 GLU 47 - H LYS 115 lone 3 60 - 4 - 7528/4.6=2, 8257/3.6=1 HB VAL 117 - H GLN 100 lone 2 100 - 2 - HB3 GLN 85 - H GLN 100 lone 2 96 - 2 - HB2 GLU 13 - H GLN 100 lone 2 73 - 3 - HB3 GLU 98 - H LYS 115 lone 2 64 - 3 - 4.3/1942=1 HB2 GLU 47 - H GLN 100 lone 2 96 - 2 - HB2 GLU 92 - H LYS 115 lone 1 64 - 2 - HB3 GLU 87 - H LYS 115 lone 1 60 - 2 - HB2 GLU 48 - H LYS 115 lone 1 60 - 2 - HB3 GLU 48 - H LYS 115 lone 1 60 - 2 - HB3 GLU 89 - H LYS 115 lone 1 60 - 2 - HB2 GLU 89 - H LYS 115 lone 1 60 - 2 - HB3 GLU 87 - H GLN 100 lone 1 96 - 1 - HB3 GLN 85 - H LYS 115 lone 1 60 - 1 - HG3 GLU 52 - H GLN 100 lone 1 99 - 1 - HB2 GLU 48 - H GLN 100 lone 1 96 - 1 - HB3 GLU 48 - H GLN 100 lone 1 96 - 1 - HB2 GLU 13 - H LYS 115 lone 1 42 - 2 - HB2 GLN 28 - H LYS 115 lone 1 47 - 1 - HB2 GLN 28 - H GLN 100 lone 1 81 - 1 - HG3 GLU 52 - H LYS 115 lone 1 65 - 1 - HB2 MET 1 - H GLN 100 lone 0 65 - 1 - HB2 MET 1 - H LYS 115 lone 0 37 - 1 - Peak 1666 from nnoeabs.peaks (2.44, 7.62, 119.30 ppm; 4.63 A): 1 out of 14 assignments used, quality = 0.98: * HG2 GLN 100 + H GLN 100 OK 98 100 - 98 - 4.9=84, 6270/3.0=38...(9) HG3 GLU 98 - H GLN 100 OK 32 99 - 33 - 4.9/1942=18, 6228/3.6=7...(5) HG3 GLU 69 - H GLN 100 OK 11 99 - 11 - 5021=3, 4.0/11178=3...(4) HG2 GLU 37 - H GLN 100 lone 7 100 - 7 - 3.9/11178=2 HG3 GLU 69 - H LYS 115 lone 4 65 - 6 - 5021=1, 4.0/11178=1 HG2 GLN 100 - H LYS 115 lone 4 67 - 6 - 6269=2, 1.8/6277=2 HG2 GLU 37 - H LYS 115 lone 3 67 - 5 - HG3 GLU 98 - H LYS 115 lone 2 65 - 3 - 4.9/1942=1 HG3 GLU 41 - H LYS 115 lone 2 37 - 5 - 9402/4.9=4 HG2 MET 1 - H GLN 100 lone 1 87 - 1 - HG3 GLU 41 - H GLN 100 lone 1 65 - 1 - HG3 GLU 119 - H GLN 100 lone 1 65 - 1 - HG2 MET 1 - H LYS 115 lone 0 52 - 1 - HG3 GLU 119 - H LYS 115 lone 0 37 - 1 - Peak 1667 from nnoeabs.peaks (2.35, 7.62, 119.30 ppm; 4.68 A): 1 out of 12 assignments used, quality = 0.98: * HG3 GLN 100 + H GLN 100 OK 98 100 - 98 - 4.9=86, 6278/3.0=39...(8) HG3 GLU 112 - H LYS 115 OK 14 50 - 29 - 4.1/8244=19, 3.0/5009=3...(5) HG2 GLU 112 - H LYS 115 OK 13 47 - 29 - 4.1/8244=19, 3.0/5009=3...(5) HG2 GLN 83 - H GLN 100 lone 7 77 - 9 - 6250/3.0=3, ~9995=2, ~9994=2 HG3 GLU 112 - H GLN 100 lone 7 84 - 8 - 4.1/8244=2, 6250/3.0=1 HG2 GLU 112 - H GLN 100 lone 6 81 - 8 - 4.1/8244=2 HG3 GLN 100 - H LYS 115 lone 4 67 - 6 - 6277=2, 1.8/6269=1 HG2 GLU 13 - H GLN 100 lone 3 92 - 4 - HB3 PHE 120 - H GLN 100 lone 3 96 - 3 - HG2 GLU 13 - H LYS 115 lone 2 56 - 3 - 11216/6.0=2 HB3 PHE 120 - H LYS 115 lone 1 60 - 2 - HG2 GLN 83 - H LYS 115 lone 1 44 - 2 - Peak 1670 from nnoeabs.peaks (7.95, 7.95, 105.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 101 + H GLY 101 OK 100 100 - 100 Peak 1671 from nnoeabs.peaks (3.72, 7.95, 105.77 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 101 + H GLY 101 OK 100 100 - 100 - 2.9=100 Peak 1672 from nnoeabs.peaks (4.01, 7.95, 105.77 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 101 + H GLY 101 OK 100 100 - 100 - 2.9=100 Peak 1673 from nnoeabs.peaks (6.89, 6.89, 117.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H TYR 102 + H TYR 102 OK 100 100 - 100 Peak 1674 from nnoeabs.peaks (4.67, 6.89, 117.99 ppm; 4.70 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 102 + H TYR 102 OK 100 100 - 100 - 3.0=100 Peak 1675 from nnoeabs.peaks (2.47, 6.89, 117.99 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 102 + H TYR 102 OK 100 100 - 100 - 4.0=100 Peak 1676 from nnoeabs.peaks (2.75, 6.89, 117.99 ppm; 4.57 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 102 + H TYR 102 OK 100 100 - 100 - 4.0=100 Peak 1680 from nnoeabs.peaks (6.98, 6.89, 117.99 ppm; 4.13 A): 1 out of 2 assignments used, quality = 0.89: * QD TYR 102 + H TYR 102 OK 89 100 - 89 - 4.4=80, 4551/3.0=34...(4) HZ PHE 79 - H TYR 102 lone 3 98 - 3 - 10152/10151=3 Peak 1681 from nnoeabs.peaks (8.32, 8.32, 122.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 103 + H GLU 103 OK 100 100 - 100 Peak 1682 from nnoeabs.peaks (4.51, 8.32, 122.86 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 103 + H GLU 103 OK 100 100 - 100 - 3.0=100 Peak 1683 from nnoeabs.peaks (2.09, 8.32, 122.86 ppm; 3.94 A): 1 out of 15 assignments used, quality = 0.97: * HB2 GLU 103 + H GLU 103 OK 97 100 - 97 - 4.0=94, 1.8/1684=36...(6) HB3 PHE 79 - H GLU 103 OK 17 87 - 19 - 3.0/10687=15, 6359/4.8=2 HB3 MET 121 - H GLU 103 lone 4 92 - 4 - HB2 GLU 87 - H GLU 103 lone 3 97 - 3 - 5703/4.7=2 HG2 GLU 119 - H GLU 103 lone 3 90 - 3 - 5.3/2218=1 HB3 GLU 91 - H GLU 103 lone 2 65 - 3 - 8174/10687=2 HB2 LYS 94 - H GLU 103 lone 1 70 - 2 - 659/4.7=1 HB3 GLU 112 - H GLU 103 lone 1 99 - 1 - HB2 GLU 112 - H GLU 103 lone 1 100 - 1 - HB3 GLU 66 - H GLU 103 lone 1 98 - 1 - HB3 GLU 69 - H GLU 103 lone 1 100 - 1 - HB2 GLU 111 - H GLU 103 lone 1 87 - 1 - HG3 GLU 21 - H GLU 103 lone 1 70 - 1 - HG2 GLU 52 - H GLU 103 lone 1 84 - 1 - HG2 GLU 21 - H GLU 103 lone 1 61 - 1 - Peak 1684 from nnoeabs.peaks (1.99, 8.32, 122.86 ppm; 3.92 A): 1 out of 7 assignments used, quality = 0.96: * HB3 GLU 103 + H GLU 103 OK 96 100 - 96 - 4.0=93, 1.8/1683=27, 660/4.7=19 HB VAL 22 - H GLU 103 lone 1 100 - 1 - HB2 LYS 17 - H GLU 103 lone 1 98 - 1 - HB2 LYS 40 - H GLU 103 lone 1 100 - 1 - HB3 GLU 21 - H GLU 103 lone 1 81 - 1 - HB3 ARG 95 - H GLU 103 lone 1 70 - 1 - HB3 LYS 96 - H GLU 103 lone 1 73 - 1 - Peak 1685 from nnoeabs.peaks (2.26, 8.32, 122.86 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 103 + H GLU 103 OK 100 100 - 100 - 4.8=100 Peak 1686 from nnoeabs.peaks (2.32, 8.32, 122.86 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 103 + H GLU 103 OK 100 100 - 100 - 4.8=100 Peak 1687 from nnoeabs.peaks (8.65, 8.65, 124.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 104 + H VAL 104 OK 100 100 - 100 Peak 1688 from nnoeabs.peaks (5.23, 8.65, 124.34 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 104 + H VAL 104 OK 100 100 - 100 - 3.0=100 Peak 1689 from nnoeabs.peaks (1.95, 8.65, 124.34 ppm; 3.42 A): 1 out of 17 assignments used, quality = 0.85: * HB VAL 104 + H VAL 104 OK 85 100 - 85 - 3.9=65, 2.1/1690=30...(5) HB3 LYS 115 - H VAL 104 lone 4 87 - 4 - ~10219=2, 665/4.7=1 HB3 LYS 39 - H VAL 104 lone 3 100 - 3 - 8039/3.6=2 HB2 LYS 115 - H VAL 104 lone 2 65 - 4 - ~10219=2 HB2 LYS 39 - H VAL 104 lone 2 87 - 3 - 8037/3.6=1 HB3 MET 42 - H VAL 104 lone 1 99 - 1 - HB VAL 29 - H VAL 104 lone 1 97 - 1 - HB3 LYS 40 - H VAL 104 lone 1 100 - 1 - HB2 LYS 65 - H VAL 104 lone 1 87 - 1 - HB3 LYS 65 - H VAL 104 lone 1 84 - 1 - HB2 LEU 70 - H VAL 104 lone 1 99 - 1 - HB3 GLU 41 - H VAL 104 lone 1 100 - 1 - HB2 LYS 123 - H VAL 104 lone 1 87 - 1 - HB2 GLU 41 - H VAL 104 lone 1 99 - 1 - HB3 GLU 52 - H VAL 104 lone 0 98 - 0 - HB2 LEU 127 - H VAL 104 lone 0 84 - 1 - HB3 GLU 128 - H VAL 104 lone 0 96 - 0 - Peak 1690 from nnoeabs.peaks (0.93, 8.65, 124.34 ppm; 3.23 A): 2 out of 5 assignments used, quality = 0.82: * QG1 VAL 104 + H VAL 104 OK 80 100 - 80 - 3.9=57, 2.1/1691=26...(5) HG13 ILE 97 + H VAL 104 OK 11 99 - 11 - ~10149=5, 10216/3.6=3 HG13 ILE 54 - H VAL 104 lone 1 65 - 1 - HG3 LYS 53 - H VAL 104 lone 1 98 - 1 - QD2 LEU 127 - H VAL 104 lone 1 100 - 1 - Peak 1691 from nnoeabs.peaks (0.88, 8.65, 124.34 ppm; 3.34 A): 1 out of 9 assignments used, quality = 0.83: * QG2 VAL 104 + H VAL 104 OK 83 100 - 83 - 3.9=63, 2.1/1690=29...(5) QD2 LEU 90 - H VAL 104 lone 4 100 - 5 - 667/4.7=2, 11099/3.6=1 QD2 LEU 38 - H VAL 104 lone 3 99 - 3 - 10216/3.6=1 QG2 VAL 29 - H VAL 104 lone 2 87 - 2 - QD1 LEU 90 - H VAL 104 lone 1 61 - 2 - 10216/3.6=2 QG2 VAL 107 - H VAL 104 lone 1 73 - 1 - QG1 VAL 32 - H VAL 104 lone 1 70 - 1 - QD2 LEU 70 - H VAL 104 lone 1 61 - 1 - QG2 VAL 117 - H VAL 104 lone 0 61 - 1 - Peak 1692 from nnoeabs.peaks (8.71, 8.71, 124.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ARG 105 + H ARG 105 OK 100 100 - 100 Peak 1693 from nnoeabs.peaks (4.92, 8.71, 124.86 ppm; 4.39 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 105 + H ARG 105 OK 100 100 - 100 - 3.0=100 Peak 1694 from nnoeabs.peaks (1.86, 8.71, 124.86 ppm; 3.90 A): 1 out of 10 assignments used, quality = 0.95: * HB2 ARG 105 + H ARG 105 OK 95 100 - 95 - 4.1=88, 6415/4.9=20...(7) QE MET 42 - H ARG 105 lone 2 94 - 3 - HD2 LYS 123 - H ARG 105 lone 2 81 - 2 - HG LEU 127 - H ARG 105 lone 1 100 - 1 - HB2 LEU 63 - H ARG 105 lone 1 81 - 2 - HB3 ARG 118 - H ARG 105 lone 1 81 - 1 - HG LEU 70 - H ARG 105 lone 1 94 - 1 - HB2 LYS 77 - H ARG 105 lone 1 81 - 1 - HB3 LYS 77 - H ARG 105 lone 1 73 - 1 - HG2 ARG 95 - H ARG 105 lone 0 61 - 1 - Peak 1695 from nnoeabs.peaks (1.82, 8.71, 124.86 ppm; 3.75 A): 2 out of 11 assignments used, quality = 0.97: * HB3 ARG 105 + H ARG 105 OK 90 100 - 90 - 4.1=79, 1.8/1694=32...(8) HG2 ARG 105 + H ARG 105 OK 70 90 - 79 - 4.9=44, 3.0/1694=25...(10) HB ILE 97 - H ARG 105 OK 17 96 - 18 - 11508/4.2=9, 11507/4.2=8 HB ILE 57 - H ARG 105 lone 8 97 - 8 - 10971/10685=2, 671/4.6=2...(4) HG12 ILE 5 - H ARG 105 lone 2 94 - 3 - 4714/4701=1 HB ILE 3 - H ARG 105 lone 2 92 - 2 - HB ILE 18 - H ARG 105 lone 2 99 - 2 - HB2 LEU 14 - H ARG 105 lone 1 97 - 1 - QE MET 121 - H ARG 105 lone 1 81 - 1 - HB3 LYS 19 - H ARG 105 lone 1 65 - 1 - HB2 ARG 118 - H ARG 105 lone 1 70 - 1 - Peak 1696 from nnoeabs.peaks (1.80, 8.71, 124.86 ppm; 3.73 A): 2 out of 11 assignments used, quality = 0.96: HB3 ARG 105 + H ARG 105 OK 80 90 - 89 - 4.1=77, 1.8/1694=31...(8) * HG2 ARG 105 + H ARG 105 OK 79 100 - 79 - 4.9=43, 6415/4.1=25...(11) HB ILE 97 - H ARG 105 OK 18 100 - 18 - 11508/4.2=8, 11507/4.2=8 HB ILE 57 - H ARG 105 lone 4 65 - 6 - 671/4.6=1, 4.4/1948=1 HG12 ILE 5 - H ARG 105 lone 3 100 - 3 - 4714/4701=2 HB ILE 3 - H ARG 105 lone 3 100 - 3 - HB2 LEU 64 - H ARG 105 lone 3 73 - 4 - 4714/4701=2 HB2 ARG 118 - H ARG 105 lone 1 98 - 1 - HB2 LYS 19 - H ARG 105 lone 1 70 - 1 - HB ILE 18 - H ARG 105 lone 1 73 - 1 - HB2 LEU 14 - H ARG 105 lone 1 65 - 1 - Peak 1697 from nnoeabs.peaks (1.75, 8.71, 124.86 ppm; 3.77 A): 4 out of 11 assignments used, quality = 0.95: * HG3 ARG 105 + H ARG 105 OK 83 100 - 83 - 4.9=44, 3.0/1694=25...(12) HB2 LEU 80 + H ARG 105 OK 56 100 - 56 - 10815/3.6=20...(9) HB3 LEU 82 + H ARG 105 OK 23 73 - 32 - 4.0/10247=18...(7) HB2 LEU 55 + H ARG 105 OK 13 94 - 14 - 9502/4.2=8, 10226/4.2=3 HB3 LYS 94 - H ARG 105 poor 8 70 - 12 - 10220/3.6=4, 10226/4.2=4 HD3 LYS 123 - H ARG 105 lone 3 99 - 3 - HB2 LEU 68 - H ARG 105 lone 1 99 - 1 - HB2 LEU 114 - H ARG 105 lone 1 70 - 2 - HB3 LYS 49 - H ARG 105 lone 1 100 - 1 - HG12 ILE 18 - H ARG 105 lone 1 84 - 1 - HG2 LYS 17 - H ARG 105 lone 1 100 - 1 - Peak 1700 from nnoeabs.peaks (8.81, 8.81, 121.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 106 + H LYS 106 OK 100 100 - 100 Peak 1701 from nnoeabs.peaks (5.58, 8.81, 121.50 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 106 + H LYS 106 OK 100 100 - 100 - 3.0=100 Peak 1702 from nnoeabs.peaks (1.72, 8.81, 121.50 ppm; 3.44 A): 2 out of 14 assignments used, quality = 0.97: * HB2 LYS 106 + H LYS 106 OK 81 100 - 81 - 4.0=64, 2.9/1705=18...(8) HB3 LYS 106 + H LYS 106 OK 81 100 - 81 - 4.0=64, 2.9/1705=18...(8) HB3 LEU 90 - H LYS 106 OK 24 98 - 25 - ~11574=8, ~10072=8...(5) HB2 LEU 114 - H LYS 106 lone 5 61 - 8 - 3.1/10281=3, 1.8/1705=3 HG2 ARG 118 - H LYS 106 lone 2 84 - 2 - HD2 LYS 39 - H LYS 106 lone 1 90 - 1 - HG3 LYS 123 - H LYS 106 lone 1 65 - 2 - HD3 LYS 39 - H LYS 106 lone 1 87 - 1 - HG12 ILE 15 - H LYS 106 lone 1 92 - 1 - HG3 LYS 39 - H LYS 106 lone 1 65 - 1 - HB3 LYS 94 - H LYS 106 lone 1 61 - 1 - HG LEU 74 - H LYS 106 lone 0 84 - 1 - HD3 LYS 44 - H LYS 106 lone 0 81 - 0 - HD2 LYS 44 - H LYS 106 lone 0 73 - 0 - Peak 1703 from nnoeabs.peaks (1.71, 8.81, 121.50 ppm; 3.44 A): 2 out of 12 assignments used, quality = 0.97: * HB3 LYS 106 + H LYS 106 OK 81 100 - 81 - 4.0=64, 2.9/1705=18...(8) HB2 LYS 106 + H LYS 106 OK 81 100 - 81 - 4.0=64, 2.9/1705=18...(8) HB3 LEU 90 - H LYS 106 OK 24 96 - 25 - ~11574=8, ~10072=8...(5) HG2 ARG 118 - H LYS 106 lone 1 77 - 2 - HG3 LYS 123 - H LYS 106 lone 1 73 - 2 - HD2 LYS 39 - H LYS 106 lone 1 94 - 1 - HD3 LYS 39 - H LYS 106 lone 1 92 - 1 - HG3 LYS 39 - H LYS 106 lone 1 73 - 1 - HG12 ILE 15 - H LYS 106 lone 1 87 - 1 - HG LEU 74 - H LYS 106 lone 0 90 - 1 - HD3 LYS 44 - H LYS 106 lone 0 87 - 0 - HD2 LYS 44 - H LYS 106 lone 0 81 - 0 - Peak 1704 from nnoeabs.peaks (1.46, 8.81, 121.50 ppm; 4.15 A): 3 out of 14 assignments used, quality = 0.92: * HG2 LYS 106 + H LYS 106 OK 88 100 - 88 - 5.0=56, 1.8/1705=31...(11) HG12 ILE 57 + H LYS 106 OK 23 100 - 23 - 7584=6, 2.1/7586=4...(8) HG12 ILE 7 + H LYS 106 OK 14 100 - 14 - 3.0/9089=4, 3.2/9088=3...(5) HG LEU 80 - H LYS 106 poor 7 61 - 12 - 3.0/673=3, 2.1/10280=3...(4) HG2 LYS 39 - H LYS 106 lone 4 100 - 4 - 680/4.6=1 HB3 LEU 38 - H LYS 106 lone 3 100 - 3 - HG LEU 4 - H LYS 106 lone 3 94 - 3 - 2.1/10281=1 HB3 LEU 6 - H LYS 106 lone 2 100 - 2 - HG3 ARG 30 - H LYS 106 lone 2 96 - 2 - HG2 LYS 49 - H LYS 106 lone 1 100 - 1 - HG3 LYS 49 - H LYS 106 lone 1 100 - 1 - HB2 LEU 74 - H LYS 106 lone 1 98 - 1 - HG3 LYS 20 - H LYS 106 lone 1 73 - 1 - HG3 LYS 73 - H LYS 106 lone 0 65 - 1 - Peak 1705 from nnoeabs.peaks (1.40, 8.81, 121.50 ppm; 3.84 A): 1 out of 5 assignments used, quality = 0.81: * HG3 LYS 106 + H LYS 106 OK 81 100 - 81 - 5.0=44, 1.8/6475=23...(11) HB3 LEU 114 - H LYS 106 lone 10 99 - 10 - 3.1/10281=4, 1.8/673=2...(4) QB ALA 113 - H LYS 106 lone 9 96 - 10 - 681/4.6=4, 11513/10280=1...(4) HB3 GLN 83 - H LYS 106 poor 7 65 - 11 - ~9928=7, 681/4.6=3 HG3 LYS 16 - H LYS 106 lone 1 98 - 1 - Peak 1706 from nnoeabs.peaks (1.56, 8.81, 121.50 ppm; 4.93 A): 2 out of 11 assignments used, quality = 0.99: * HD2 LYS 106 + H LYS 106 OK 92 100 - 92 - 6.1=53, 3.0/6485=33...(9) HD3 LYS 106 + H LYS 106 OK 92 100 - 92 - 6.1=53, 3.0/6485=33...(9) HG LEU 55 - H LYS 106 lone 5 99 - 5 - 2.1/11358=2, 3.0/673=1 HG12 ILE 3 - H LYS 106 lone 4 100 - 4 - 2.9/9003=2 HG2 LYS 123 - H LYS 106 lone 3 81 - 3 - HG2 LYS 115 - H LYS 106 lone 3 100 - 3 - HG2 LYS 65 - H LYS 106 lone 2 87 - 2 - HB VAL 78 - H LYS 106 lone 2 99 - 2 - HB3 LEU 70 - H LYS 106 lone 2 94 - 2 - HG3 LYS 96 - H LYS 106 lone 1 94 - 1 - QB ALA 46 - H LYS 106 lone 1 90 - 1 - Peak 1708 from nnoeabs.peaks (2.95, 8.81, 121.50 ppm; 5.81 A): 2 out of 11 assignments used, quality = 0.99: * HE2 LYS 106 + H LYS 106 OK 92 100 - 92 - 7.5=47, 3.6/6485=38...(9) HE3 LYS 106 + H LYS 106 OK 92 100 - 92 - 7.5=47, 3.6/6485=38...(9) HD3 ARG 30 - H LYS 106 lone 3 61 - 5 - 1.8/675=2 HD3 ARG 118 - H LYS 106 lone 3 61 - 4 - HE3 LYS 20 - H LYS 106 lone 2 87 - 3 - HE2 LYS 20 - H LYS 106 lone 2 87 - 3 - HE3 LYS 40 - H LYS 106 lone 2 81 - 2 - HB3 ASN 24 - H LYS 106 lone 1 77 - 2 - HB2 ASN 24 - H LYS 106 lone 1 77 - 2 - HB3 PHE 51 - H LYS 106 lone 1 77 - 2 - HE2 LYS 40 - H LYS 106 lone 1 73 - 2 - Peak 1709 from nnoeabs.peaks (2.95, 8.81, 121.50 ppm; 5.81 A): 2 out of 10 assignments used, quality = 0.99: * HE3 LYS 106 + H LYS 106 OK 92 100 - 92 - 7.5=47, 3.6/6485=38...(9) HE2 LYS 106 + H LYS 106 OK 92 100 - 92 - 7.5=47, 3.6/6485=38...(9) HD3 ARG 118 - H LYS 106 lone 3 65 - 4 - HE3 LYS 20 - H LYS 106 lone 2 90 - 3 - HE2 LYS 20 - H LYS 106 lone 2 90 - 3 - HE3 LYS 40 - H LYS 106 lone 2 84 - 2 - HB3 ASN 24 - H LYS 106 lone 1 81 - 2 - HB2 ASN 24 - H LYS 106 lone 1 81 - 2 - HB3 PHE 51 - H LYS 106 lone 1 81 - 2 - HE2 LYS 40 - H LYS 106 lone 1 77 - 2 - Peak 1710 from nnoeabs.peaks (8.55, 8.55, 118.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 107 + H VAL 107 OK 100 100 - 100 Peak 1711 from nnoeabs.peaks (4.62, 8.55, 118.79 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 107 + H VAL 107 OK 100 100 - 100 - 3.0=100 Peak 1712 from nnoeabs.peaks (2.12, 8.55, 118.79 ppm; 3.75 A): 1 out of 14 assignments used, quality = 0.95: * HB VAL 107 + H VAL 107 OK 95 100 - 95 - 4.0=85, 2.1/6545=33...(7) HG3 GLN 83 - H VAL 107 OK 28 100 - 28 - 3.9/9990=16, 10012/4.0=5...(4) HB3 GLU 119 - H VAL 107 OK 17 100 - 17 - 4.6/11418=16 HB2 GLU 119 - H VAL 107 OK 17 100 - 17 - 4.6/11418=16 HB2 LEU 38 - H VAL 107 lone 5 100 - 5 - 11525/4.0=2, 1.8/680=1 HB3 GLU 92 - H VAL 107 lone 2 94 - 2 - HB2 GLU 21 - H VAL 107 lone 1 100 - 1 - HG2 GLU 21 - H VAL 107 lone 1 92 - 1 - HB2 GLU 91 - H VAL 107 lone 1 94 - 1 - HG3 GLU 21 - H VAL 107 lone 1 87 - 1 - HG2 GLU 41 - H VAL 107 lone 1 70 - 1 - HB2 GLU 111 - H VAL 107 lone 1 70 - 1 - HB3 GLU 47 - H VAL 107 lone 1 98 - 1 - HG2 GLU 52 - H VAL 107 lone 0 73 - 1 - Peak 1713 from nnoeabs.peaks (0.87, 8.55, 118.79 ppm; 3.08 A): 2 out of 9 assignments used, quality = 0.80: * QG2 VAL 107 + H VAL 107 OK 73 100 - 73 - 4.0=45, 2.1/6550=22...(11) QD2 LEU 90 + H VAL 107 OK 25 81 - 31 - 11578=10, 10072/3.6=8...(11) QG1 VAL 32 - H VAL 107 lone 7 100 - 6 - 2.1/1714=2 QG2 THR 9 - H VAL 107 lone 6 99 - 6 - 9116/4.6=1, 9116/4.6=1 HG13 ILE 57 - H VAL 107 lone 6 94 - 6 - 1.8/680=2 QD1 LEU 14 - H VAL 107 lone 4 94 - 4 - 2.1/1714=2 QG2 VAL 104 - H VAL 107 lone 3 73 - 4 - 10279/4.6=1, 10282/3.6=1 QG2 VAL 117 - H VAL 107 lone 3 100 - 3 - QG2 VAL 22 - H VAL 107 lone 0 81 - 1 - Peak 1714 from nnoeabs.peaks (0.76, 8.55, 118.79 ppm; 3.30 A): 2 out of 11 assignments used, quality = 0.83: * QG1 VAL 107 + H VAL 107 OK 80 100 - 80 - 4.0=56, 2.1/6545=27...(8) QD1 LEU 82 + H VAL 107 OK 13 77 - 17 - 4.6/9984=9, 10283/3.6=4 QD1 ILE 7 - H VAL 107 lone 9 99 - 9 - 11584/4.0=2, 2.1/680=2...(4) QD2 LEU 14 - H VAL 107 lone 7 100 - 7 - 11007/4.0=1, 690/4.5=1...(4) QG2 VAL 32 - H VAL 107 lone 7 100 - 7 - 2.1/1713=2 QD1 LEU 80 - H VAL 107 lone 5 87 - 6 - 10283/3.6=1 QD2 LEU 80 - H VAL 107 lone 4 84 - 5 - 10283/3.6=1 QG2 ILE 7 - H VAL 107 lone 3 61 - 4 - 3.2/680=1 QD1 ILE 15 - H VAL 107 lone 1 100 - 1 - QG2 ILE 54 - H VAL 107 lone 1 70 - 1 - QD1 LEU 45 - H VAL 107 lone 1 94 - 1 - Peak 1715 from nnoeabs.peaks (8.60, 8.60, 114.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H THR 108 + H THR 108 OK 100 100 - 100 Peak 1716 from nnoeabs.peaks (4.78, 8.60, 114.07 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 108 + H THR 108 OK 100 100 - 100 - 2.9=100 Peak 1717 from nnoeabs.peaks (4.22, 8.60, 114.07 ppm; 4.00 A): 1 out of 3 assignments used, quality = 0.98: * HB THR 108 + H THR 108 OK 98 100 - 98 - 4.0=96, 2.1/1718=33...(5) HA LEU 90 - H THR 108 poor 10 84 - 12 - 3.9/689=3, 3.0/1951=2...(6) HA LEU 74 - H THR 108 lone 1 94 - 1 - Peak 1718 from nnoeabs.peaks (1.25, 8.60, 114.07 ppm; 3.82 A): 1 out of 5 assignments used, quality = 0.94: * QG2 THR 108 + H THR 108 OK 94 100 - 94 - 4.0=86, 2.1/1717=29...(6) HG13 ILE 7 - H THR 108 lone 9 99 - 9 - 2.1/690=2, 11618/4.2=2 HG12 ILE 54 - H THR 108 lone 1 100 - 1 - HD2 LYS 2 - H THR 108 lone 1 84 - 1 - HG3 LYS 61 - H THR 108 lone 1 94 - 1 - Peak 1719 from nnoeabs.peaks (8.04, 8.04, 122.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 109 + H ASP 109 OK 100 100 - 100 Peak 1720 from nnoeabs.peaks (4.74, 8.04, 122.57 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 109 + H ASP 109 OK 100 100 - 100 - 3.0=100 Peak 1721 from nnoeabs.peaks (2.82, 8.04, 122.57 ppm; 3.32 A): 1 out of 4 assignments used, quality = 0.76: * HB2 ASP 109 + H ASP 109 OK 76 100 - 76 - 4.0=57, 1.8/1722=35, 697/4.6=14 HB3 GLN 25 - H ASP 109 lone 1 100 - 1 - HB3 ASN 10 - H ASP 109 lone 0 100 - 0 - HE2 LYS 77 - H ASP 109 lone 0 94 - 0 - Peak 1722 from nnoeabs.peaks (2.73, 8.04, 122.57 ppm; 3.25 A): 1 out of 5 assignments used, quality = 0.75: * HB3 ASP 109 + H ASP 109 OK 75 100 - 75 - 4.0=54, 1.8/1721=33...(4) HG3 GLU 37 - H ASP 109 lone 2 100 - 2 - HB3 ASN 11 - H ASP 109 lone 1 77 - 1 - HB2 ASP 60 - H ASP 109 lone 1 98 - 1 - HE3 LYS 53 - H ASP 109 lone 0 87 - 0 - Peak 1723 from nnoeabs.peaks (8.70, 8.70, 122.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ASP 110 + H ASP 110 OK 100 100 - 100 Peak 1724 from nnoeabs.peaks (4.09, 8.70, 122.85 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 110 + H ASP 110 OK 100 100 - 100 - 3.0=100 Peak 1725 from nnoeabs.peaks (2.42, 8.70, 122.85 ppm; 3.58 A): 3 out of 8 assignments used, quality = 0.90: * HB2 ASP 110 + H ASP 110 OK 86 100 - 86 - 4.0=73, 1.8/1726=35...(5) HG2 GLN 85 + H ASP 110 OK 16 94 - 17 - 3.0/7737=3, 5.0/1928=3...(7) HG3 GLN 85 + H ASP 110 OK 16 90 - 17 - 3.0/7737=3, 5.0/1928=3...(7) HG3 GLN 62 - H ASP 110 lone 3 99 - 3 - HG2 GLN 62 - H ASP 110 lone 3 100 - 3 - HG2 GLN 122 - H ASP 110 lone 1 92 - 2 - HG2 GLU 91 - H ASP 110 lone 1 100 - 1 - HG2 MET 1 - H ASP 110 lone 0 84 - 0 - Peak 1726 from nnoeabs.peaks (2.68, 8.70, 122.85 ppm; 3.31 A): 1 out of 10 assignments used, quality = 0.72: * HB3 ASP 110 + H ASP 110 OK 72 100 - 72 - 4.0=58, 1.8/1725=22...(5) HB3 ASP 84 - H ASP 110 lone 7 70 - 10 - 4.1/1953=3, 4.6/1928=3...(4) HB3 ASN 33 - H ASP 110 lone 1 96 - 1 - HE2 LYS 61 - H ASP 110 lone 0 99 - 0 - HE3 LYS 61 - H ASP 110 lone 0 97 - 0 - HB3 ASP 36 - H ASP 110 lone 0 61 - 1 - HB2 TYR 27 - H ASP 110 lone 0 65 - 1 - HB2 TYR 76 - H ASP 110 lone 0 70 - 0 - HE2 LYS 19 - H ASP 110 lone 0 65 - 0 - HE3 LYS 19 - H ASP 110 lone 0 65 - 0 - Peak 1727 from nnoeabs.peaks (8.21, 8.21, 119.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 111 + H GLU 111 OK 100 100 - 100 Peak 1728 from nnoeabs.peaks (3.99, 8.21, 119.14 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 111 + H GLU 111 OK 100 100 - 100 - 2.9=100 Peak 1729 from nnoeabs.peaks (2.10, 8.21, 119.14 ppm; 3.27 A): 1 out of 18 assignments used, quality = 0.80: * HB2 GLU 111 + H GLU 111 OK 80 100 - 80 - 3.9=58, 1.8/6603=26...(8) HB2 GLU 87 - H GLU 111 lone 10 99 - 10 - 1.8/1730=2, 3.0/1731=2...(4) HB2 GLU 112 - H GLU 111 poor 8 77 - 11 - 705/4.5=5, 10365/4.6=3 HB3 GLU 112 - H GLU 111 poor 8 73 - 10 - 705/4.5=4, 10365/4.6=2 HB VAL 107 - H GLU 111 lone 6 70 - 8 - 2.1/10295=4, ~10308=2 HG3 GLN 83 - H GLU 111 lone 3 65 - 5 - 1.8/7731=1 HB3 GLU 69 - H GLU 111 lone 2 92 - 2 - HB3 GLU 66 - H GLU 111 lone 2 98 - 2 - HB3 GLU 92 - H GLU 111 lone 2 96 - 2 - HB2 LEU 38 - H GLU 111 lone 1 77 - 2 - HB2 GLU 103 - H GLU 111 lone 1 87 - 1 - HB3 GLU 47 - H GLU 111 lone 1 90 - 1 - HG3 GLU 21 - H GLU 111 lone 1 99 - 1 - HG2 GLU 21 - H GLU 111 lone 1 97 - 1 - HG2 GLU 52 - H GLU 111 lone 0 100 - 0 - HB3 GLU 119 - H GLU 111 lone 0 77 - 1 - HB2 GLU 21 - H GLU 111 lone 0 70 - 0 - HB2 GLU 119 - H GLU 111 lone 0 65 - 0 - Peak 1730 from nnoeabs.peaks (2.02, 8.21, 119.14 ppm; 3.61 A): 1 out of 12 assignments used, quality = 0.91: * HB3 GLU 111 + H GLU 111 OK 91 100 - 91 - 3.9=78, 1.8/6597=31...(7) HB3 GLU 87 - H GLU 111 poor 9 70 - 12 - 1.8/1729=3, 3.0/1731=2...(5) HB2 GLU 89 - H GLU 111 lone 6 70 - 8 - 3.0/1732=1, 1.8/5751=1 HB3 GLU 89 - H GLU 111 lone 6 70 - 8 - 3.0/1732=1, 1.8/5751=1 HB3 GLN 85 - H GLU 111 lone 5 70 - 8 - 4.6/699=2, 3.0/701=1...(4) HB2 GLN 25 - H GLU 111 lone 2 100 - 2 - HB2 GLU 66 - H GLU 111 lone 2 70 - 2 - HB2 MET 1 - H GLU 111 lone 1 97 - 1 - HB2 GLU 48 - H GLU 111 lone 1 70 - 1 - HB3 GLU 48 - H GLU 111 lone 1 70 - 1 - HG3 GLU 128 - H GLU 111 lone 0 94 - 0 - HG2 GLU 128 - H GLU 111 lone 0 94 - 0 - Peak 1731 from nnoeabs.peaks (2.29, 8.21, 119.14 ppm; 3.69 A): 4 out of 10 assignments used, quality = 0.92: * HG2 GLU 111 + H GLU 111 OK 78 100 - 78 - 5.2=37, 3.0/6603=24...(8) HG3 GLU 111 + H GLU 111 OK 50 65 - 76 - 5.2=37, 3.0/6603=24...(8) HG2 GLU 87 + H GLU 111 OK 16 96 - 17 - 6609=3, 1.8/6609=2...(7) HG3 GLU 87 + H GLU 111 OK 16 96 - 17 - 6609=3, 1.8/6609=2...(7) HB2 GLU 37 - H GLU 111 poor 7 65 - 11 - 1.8/7463=2, 3.8/1882=2...(4) HG3 GLU 91 - H GLU 111 lone 3 100 - 3 - HG2 GLU 69 - H GLU 111 lone 2 81 - 3 - HG2 GLU 47 - H GLU 111 lone 1 96 - 1 - HB2 MET 121 - H GLU 111 lone 1 100 - 1 - HB3 ASN 8 - H GLU 111 lone 1 81 - 1 - Peak 1732 from nnoeabs.peaks (2.27, 8.21, 119.14 ppm; 3.89 A): 3 out of 9 assignments used, quality = 0.93: * HG3 GLU 111 + H GLU 111 OK 82 100 - 82 - 5.2=43, 3.0/6603=26...(8) HG2 GLU 111 + H GLU 111 OK 53 65 - 80 - 5.2=43, 3.0/6603=26...(8) HB2 GLU 37 + H GLU 111 OK 13 100 - 13 - 1.8/7463=3, 3.8/1882=2...(6) HG2 GLU 89 - H GLU 111 lone 9 98 - 10 - 6615=2, 3.0/1730=1...(6) HG2 GLU 69 - H GLU 111 lone 4 99 - 4 - HG3 GLU 92 - H GLU 111 lone 4 99 - 4 - HG3 GLU 91 - H GLU 111 lone 2 65 - 3 - HB3 ASN 8 - H GLU 111 lone 2 99 - 2 - HG2 GLU 103 - H GLU 111 lone 2 84 - 2 - Peak 1733 from nnoeabs.peaks (8.23, 8.23, 121.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 112 + H GLU 112 OK 100 100 - 100 Peak 1734 from nnoeabs.peaks (4.00, 8.23, 121.40 ppm; 3.15 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 112 + H GLU 112 OK 100 100 - 100 - 3.0=100 Peak 1735 from nnoeabs.peaks (2.08, 8.23, 121.40 ppm; 2.79 A): 3 out of 13 assignments used, quality = 0.92: * HB2 GLU 112 + H GLU 112 OK 65 100 - 66 - 4.0=33, 1.8/6627=9...(14) HB3 GLU 112 + H GLU 112 OK 65 100 - 65 - 4.0=33, 1.8/6627=9...(14) HB2 GLU 111 + H GLU 112 OK 37 77 - 48 - 4.6=22, 1.8/706=18...(6) HB2 GLU 87 - H GLU 112 lone 6 92 - 6 - 1.8/706=1, 3.0/707=1, 3.0/707=1 HB3 GLU 66 - H GLU 112 lone 3 94 - 3 - HB3 GLU 69 - H GLU 112 lone 2 99 - 2 - HB2 GLU 103 - H GLU 112 lone 1 100 - 1 - HG2 GLU 119 - H GLU 112 lone 1 96 - 1 - HB3 MET 121 - H GLU 112 lone 1 97 - 1 - HB3 GLU 91 - H GLU 112 lone 1 77 - 1 - HB2 LYS 94 - H GLU 112 lone 0 81 - 1 - HB3 PHE 79 - H GLU 112 lone 0 94 - 0 - HG2 GLU 52 - H GLU 112 lone 0 73 - 0 - Peak 1736 from nnoeabs.peaks (2.08, 8.23, 121.40 ppm; 2.79 A): 3 out of 14 assignments used, quality = 0.92: HB2 GLU 112 + H GLU 112 OK 66 100 - 66 - 4.0=33, 1.8/6627=9...(14) * HB3 GLU 112 + H GLU 112 OK 66 100 - 66 - 4.0=33, 1.8/6627=9...(14) HB2 GLU 111 + H GLU 112 OK 35 73 - 48 - 4.6=22, 1.8/706=18...(6) HB2 GLU 87 - H GLU 112 lone 5 90 - 6 - 1.8/706=1, 3.0/707=1, 3.0/707=1 HB3 GLU 66 - H GLU 112 lone 3 92 - 3 - HB3 GLU 69 - H GLU 112 lone 2 98 - 2 - HB2 GLU 103 - H GLU 112 lone 1 99 - 1 - HG2 GLU 119 - H GLU 112 lone 1 97 - 1 - HB3 MET 121 - H GLU 112 lone 1 98 - 1 - HB2 GLU 13 - H GLU 112 lone 1 61 - 2 - 4.4/1863=1 HB3 GLU 91 - H GLU 112 lone 1 81 - 1 - HB2 LYS 94 - H GLU 112 lone 0 84 - 1 - HB3 PHE 79 - H GLU 112 lone 0 96 - 0 - HG2 GLU 52 - H GLU 112 lone 0 70 - 0 - Peak 1737 from nnoeabs.peaks (2.34, 8.23, 121.40 ppm; 3.60 A): 2 out of 7 assignments used, quality = 0.97: * HG2 GLU 112 + H GLU 112 OK 82 100 - 82 - 4.9=40, 1.8/6645=18...(16) HG3 GLU 112 + H GLU 112 OK 82 100 - 82 - 4.9=40, 1.8/6645=18...(16) HG2 GLN 83 - H GLU 112 lone 10 100 - 10 - 3.0/10398=2, 7731/4.5=1...(4) HG3 GLU 48 - H GLU 112 lone 2 65 - 4 - 5.1/2184=2 HG3 GLU 103 - H GLU 112 lone 2 81 - 2 - HB3 PHE 120 - H GLU 112 lone 2 98 - 2 - HG3 GLN 100 - H GLU 112 lone 1 81 - 1 - Peak 1738 from nnoeabs.peaks (2.34, 8.23, 121.40 ppm; 3.60 A): 2 out of 7 assignments used, quality = 0.97: HG2 GLU 112 + H GLU 112 OK 82 100 - 82 - 4.9=40, 1.8/6645=18...(16) * HG3 GLU 112 + H GLU 112 OK 82 100 - 82 - 4.9=40, 1.8/6645=18...(16) HG2 GLN 83 - H GLU 112 lone 10 100 - 10 - 3.0/10398=2, 7731/4.5=1...(4) HG3 GLU 48 - H GLU 112 lone 2 61 - 4 - 5.1/2184=2 HB3 PHE 120 - H GLU 112 lone 2 99 - 2 - HG3 GLU 103 - H GLU 112 lone 2 77 - 2 - HG3 GLN 100 - H GLU 112 lone 1 84 - 1 - Peak 1739 from nnoeabs.peaks (8.12, 8.12, 120.32 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ALA 113 + H ALA 113 OK 100 100 - 100 H VAL 117 + H VAL 117 OK 96 96 - 100 Peak 1740 from nnoeabs.peaks (3.80, 8.12, 120.32 ppm; 3.32 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 113 + H ALA 113 OK 100 100 - 100 - 3.0=100 Peak 1741 from nnoeabs.peaks (1.41, 8.12, 120.32 ppm; 2.75 A): 4 out of 16 assignments used, quality = 0.95: * QB ALA 113 + H ALA 113 OK 88 100 - 88 - 2.9=83, 7880/4.6=9...(9) HB3 LEU 114 + H ALA 113 OK 29 84 - 35 - 3.9/715=7, 3.0/2206=6...(12) QB ALA 113 + H VAL 117 OK 27 97 - 27 - 10522/4.0=6, 3.7/715=5...(10) HB3 LEU 114 + H VAL 117 OK 18 78 - 23 - 3.0/2206=6, 3.9/715=5...(8) HB3 GLN 83 - H ALA 113 lone 4 92 - 4 - HB3 LEU 63 - H VAL 117 lone 3 68 - 4 - 10522/4.0=1 HB3 LEU 63 - H ALA 113 lone 3 73 - 4 - HB3 GLN 83 - H VAL 117 lone 3 87 - 3 - HG3 LYS 17 - H ALA 113 lone 2 61 - 3 - HG3 LYS 106 - H ALA 113 lone 2 96 - 2 - HG3 LYS 17 - H VAL 117 lone 1 57 - 2 - HG3 LYS 106 - H VAL 117 lone 1 91 - 1 - HG12 ILE 56 - H ALA 113 lone 1 70 - 2 - HG3 LYS 16 - H ALA 113 lone 1 81 - 1 - HG12 ILE 56 - H VAL 117 lone 1 64 - 1 - HG3 LYS 16 - H VAL 117 lone 1 75 - 1 - Peak 1742 from nnoeabs.peaks (7.74, 7.74, 116.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 114 + H LEU 114 OK 100 100 - 100 Peak 1743 from nnoeabs.peaks (3.71, 7.74, 116.90 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 114 + H LEU 114 OK 100 100 - 100 - 3.0=100 Peak 1744 from nnoeabs.peaks (1.74, 7.74, 116.90 ppm; 3.23 A): 1 out of 13 assignments used, quality = 0.87: * HB2 LEU 114 + H LEU 114 OK 87 100 - 87 - 3.9=58, 1.8/6671=23...(11) HG2 ARG 118 - H LEU 114 lone 6 98 - 6 - 720/4.6=3, 11024/3.6=1 HG2 LYS 17 - H LEU 114 lone 5 57 - 9 - 3.9/2191=2, 6687/4.5=2...(5) HG12 ILE 15 - H LEU 114 lone 5 94 - 5 - 5.0/2190=2 HB2 LEU 68 - H LEU 114 lone 5 87 - 5 - 6664=1, 720/4.6=1 HB3 LEU 82 - H LEU 114 lone 2 100 - 2 - HG3 ARG 105 - H LEU 114 lone 2 70 - 3 - HB3 LEU 90 - H LEU 114 lone 2 84 - 2 - HD3 LYS 123 - H LEU 114 lone 1 84 - 1 - HB3 LYS 94 - H LEU 114 lone 1 100 - 1 - HB2 LYS 106 - H LEU 114 lone 1 61 - 1 - HB2 LEU 80 - H LEU 114 lone 1 65 - 1 - HB3 LYS 49 - H LEU 114 lone 0 57 - 1 - Peak 1745 from nnoeabs.peaks (1.40, 7.74, 116.90 ppm; 2.92 A): 2 out of 7 assignments used, quality = 0.90: * HB3 LEU 114 + H LEU 114 OK 77 100 - 77 - 3.9=43, 1.8/1744=22...(11) QB ALA 113 + H LEU 114 OK 56 84 - 67 - 3.7=49, 2.9/715=12...(13) HG LEU 14 - H LEU 114 lone 4 61 - 6 - 2.1/10442=3, 3.7/2191=1 HB3 LEU 68 - H LEU 114 lone 2 73 - 3 - 1.8/1744=1 HG3 LYS 16 - H LEU 114 lone 2 100 - 2 - HG3 LYS 106 - H LEU 114 lone 2 99 - 2 - HG2 LYS 40 - H LEU 114 lone 0 65 - 0 - Peak 1746 from nnoeabs.peaks (1.65, 7.74, 116.90 ppm; 3.20 A): 4 out of 12 assignments used, quality = 0.86: * HG LEU 114 + H LEU 114 OK 76 100 - 76 - 5.2=23, 3.0/1744=18...(11) HG LEU 64 + H LEU 114 OK 17 94 - 18 - 6678=5, 2.1/1747=4...(7) HD2 LYS 115 + H LEU 114 OK 16 99 - 16 - 6.0/718=6, 3.7/10443=3...(4) HD3 LYS 115 + H LEU 114 OK 15 96 - 16 - 6.0/718=6, 3.7/10443=3...(4) HD3 LYS 65 - H LEU 114 lone 6 100 - 6 - 722/4.6=2 HD2 LYS 65 - H LEU 114 lone 6 100 - 6 - 722/4.6=2 HB ILE 5 - H LEU 114 lone 5 99 - 5 - ~10921=1 HG LEU 90 - H LEU 114 lone 3 87 - 3 - HB2 ARG 30 - H LEU 114 lone 1 100 - 1 - HD2 LYS 49 - H LEU 114 lone 1 100 - 1 - HD3 LYS 49 - H LEU 114 lone 1 100 - 1 - HB2 GLU 52 - H LEU 114 lone 1 99 - 1 - Peak 1747 from nnoeabs.peaks (0.81, 7.74, 116.90 ppm; 3.78 A): 1 out of 8 assignments used, quality = 0.94: * QD1 LEU 114 + H LEU 114 OK 94 100 - 94 - 4.5=58, 2.1/6692=26...(12) QD1 LEU 64 - H LEU 114 OK 22 94 - 24 - 2.1/6678=6, 6686/3.0=3...(9) QD1 LEU 81 - H LEU 114 poor 9 73 - 12 - 11606/3.6=3, 11601/4.6=3...(5) QG2 ILE 71 - H LEU 114 lone 3 87 - 3 - QD1 LEU 74 - H LEU 114 lone 2 87 - 2 - QD2 LEU 74 - H LEU 114 lone 2 81 - 2 - QG1 VAL 29 - H LEU 114 lone 1 99 - 1 - QD2 LEU 82 - H LEU 114 lone 1 57 - 1 - Peak 1748 from nnoeabs.peaks (0.67, 7.74, 116.90 ppm; 3.70 A): 2 out of 7 assignments used, quality = 0.96: * QD2 LEU 114 + H LEU 114 OK 94 100 - 94 - 4.5=54, 6693/3.0=30...(13) QD1 ILE 116 + H LEU 114 OK 39 92 - 43 - 4.7/2193=12...(9) QG2 ILE 97 - H LEU 114 lone 6 87 - 7 - 724/4.6=2 QD1 ILE 56 - H LEU 114 lone 3 94 - 3 - QD1 LEU 55 - H LEU 114 lone 3 81 - 4 - QD2 LEU 4 - H LEU 114 lone 2 96 - 2 - QD1 ILE 71 - H LEU 114 lone 2 73 - 3 - Peak 1749 from nnoeabs.peaks (7.62, 7.62, 119.07 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H LYS 115 + H LYS 115 OK 100 100 - 100 H GLN 100 + H GLN 100 OK 63 63 - 100 Peak 1750 from nnoeabs.peaks (3.80, 7.62, 119.07 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 115 + H LYS 115 OK 100 100 - 100 - 3.0=100 Peak 1751 from nnoeabs.peaks (1.93, 7.62, 119.07 ppm; 2.91 A): 4 out of 32 assignments used, quality = 0.96: * HB2 LYS 115 + H LYS 115 OK 70 100 - 70 - 4.0=38, 3.0/1754=11...(17) HB3 LYS 115 + H LYS 115 OK 69 98 - 70 - 4.0=38, 3.0/1754=11...(17) HB3 LYS 65 + H LYS 115 OK 34 99 - 34 - 2.9/1753=5, 3.0/8129=4...(13) HB2 LYS 65 + H LYS 115 OK 33 98 - 34 - 2.9/1753=5, 3.0/8129=4...(13) HB3 LYS 17 - H LYS 115 lone 9 98 - 9 - 10914/4.9=4, 3.0/2196=1 HB2 LEU 81 - H LYS 115 lone 8 94 - 8 - ~9956=1, ~10452=1...(5) HB2 LYS 115 - H GLN 100 lone 5 67 - 7 - 3.0/6739=2 HB3 LYS 115 - H GLN 100 lone 5 63 - 7 - 3.0/6739=2 HB ILE 15 - H LYS 115 lone 4 84 - 5 - 3.8/1864=1 HB2 LYS 123 - H LYS 115 lone 3 98 - 4 - HB3 LYS 123 - H LYS 115 lone 3 81 - 3 - HB VAL 104 - H LYS 115 lone 2 65 - 3 - 10225/5.0=1 HB3 LYS 65 - H GLN 100 lone 2 64 - 3 - HB2 LEU 70 - H LYS 115 lone 2 81 - 2 - HB2 LYS 65 - H GLN 100 lone 2 63 - 3 - HG2 MET 121 - H LYS 115 lone 1 90 - 1 - HB2 LYS 39 - H LYS 115 lone 1 98 - 1 - HB2 LEU 70 - H GLN 100 lone 1 47 - 2 - HB3 LYS 40 - H LYS 115 lone 1 70 - 1 - HB2 LEU 127 - H LYS 115 lone 0 99 - 0 - HB3 LYS 17 - H GLN 100 lone 0 63 - 1 - HB2 LYS 123 - H GLN 100 lone 0 63 - 1 - HB2 LYS 44 - H LYS 115 lone 0 70 - 1 - HB ILE 15 - H GLN 100 lone 0 50 - 1 - HB2 LYS 39 - H GLN 100 lone 0 63 - 0 - HB2 LEU 81 - H GLN 100 lone 0 58 - 0 - HB3 LYS 123 - H GLN 100 lone 0 47 - 1 - HB2 LYS 44 - H GLN 100 lone 0 39 - 1 - HB VAL 104 - H GLN 100 lone 0 37 - 1 - HB2 LEU 127 - H GLN 100 lone 0 64 - 0 - HG2 MET 121 - H GLN 100 lone 0 54 - 0 - HB3 LYS 40 - H GLN 100 lone 0 39 - 0 - Peak 1752 from nnoeabs.peaks (1.93, 7.62, 119.07 ppm; 2.91 A): 4 out of 40 assignments used, quality = 0.96: * HB3 LYS 115 + H LYS 115 OK 71 100 - 71 - 4.0=38, 3.0/1754=11...(17) HB2 LYS 115 + H LYS 115 OK 69 98 - 70 - 4.0=38, 3.0/1754=11...(17) HB3 LYS 65 + H LYS 115 OK 34 100 - 34 - 2.9/1753=5, 3.0/8129=4...(13) HB2 LYS 65 + H LYS 115 OK 34 100 - 34 - 2.9/1753=5, 3.0/8129=4...(13) HB3 LYS 17 - H LYS 115 lone 7 87 - 8 - 10914/4.9=3, 3.0/2196=1 HB2 LEU 81 - H LYS 115 lone 6 77 - 7 - ~9956=1, ~10452=1...(5) HB3 LYS 115 - H GLN 100 lone 5 67 - 7 - 3.0/6739=2 HB2 LYS 115 - H GLN 100 lone 5 63 - 7 - 3.0/6739=2 HB2 LYS 123 - H LYS 115 lone 4 100 - 4 - HB VAL 104 - H LYS 115 lone 3 87 - 4 - 10225/5.0=2 HB ILE 15 - H LYS 115 lone 3 61 - 4 - 3.8/1864=1 HB2 LEU 70 - H LYS 115 lone 2 96 - 2 - HB2 LYS 65 - H GLN 100 lone 2 67 - 3 - HB3 LYS 65 - H GLN 100 lone 2 67 - 3 - HB2 LEU 70 - H GLN 100 lone 1 60 - 2 - HB2 LYS 39 - H LYS 115 lone 1 100 - 1 - HB3 LYS 40 - H LYS 115 lone 1 90 - 1 - HB3 GLU 41 - H LYS 115 lone 1 77 - 1 - HB2 GLU 41 - H LYS 115 lone 1 73 - 1 - HG2 MET 121 - H LYS 115 lone 1 70 - 1 - HB3 LYS 39 - H LYS 115 lone 1 81 - 1 - HB3 MET 42 - H LYS 115 lone 0 73 - 1 - HB2 LYS 123 - H GLN 100 lone 0 67 - 1 - HB2 LEU 127 - H LYS 115 lone 0 100 - 0 - HB VAL 104 - H GLN 100 lone 0 52 - 1 - HB VAL 29 - H LYS 115 lone 0 61 - 1 - HB3 LYS 17 - H GLN 100 lone 0 52 - 1 - HB2 LYS 39 - H GLN 100 lone 0 67 - 0 - HB3 GLU 52 - H LYS 115 lone 0 65 - 0 - HB2 LEU 127 - H GLN 100 lone 0 67 - 0 - HB3 LYS 40 - H GLN 100 lone 0 54 - 0 - HB ILE 15 - H GLN 100 lone 0 34 - 1 - HB2 LEU 81 - H GLN 100 lone 0 44 - 0 - HB3 LYS 39 - H GLN 100 lone 0 47 - 0 - HB3 MET 42 - H GLN 100 lone 0 42 - 0 - HB3 GLU 41 - H GLN 100 lone 0 44 - 0 - HB2 GLU 41 - H GLN 100 lone 0 42 - 0 - HB3 GLU 52 - H GLN 100 lone 0 37 - 0 - HG2 MET 121 - H GLN 100 lone 0 39 - 0 - HB VAL 29 - H GLN 100 lone 0 34 - 0 - Peak 1753 from nnoeabs.peaks (1.56, 7.62, 119.07 ppm; 3.40 A): 2 out of 22 assignments used, quality = 0.84: * HG2 LYS 115 + H LYS 115 OK 75 100 - 75 - 5.0=31, 1.8/1754=19...(20) HG2 LYS 65 + H LYS 115 OK 37 87 - 42 - 6703/3.0=7, 6729=6...(15) HG3 LYS 96 - H GLN 100 poor 8 58 - 14 - 11309/3.6=5, 10462/4.5=2...(4) HG2 LYS 115 - H GLN 100 poor 8 67 - 11 - 1.8/6739=3, 6729=2, 10085/3.6=1 HG2 LYS 123 - H LYS 115 lone 4 81 - 5 - 6703/3.0=1 HG3 LYS 96 - H LYS 115 lone 3 94 - 3 - HD2 LYS 106 - H LYS 115 lone 3 100 - 3 - HD3 LYS 106 - H LYS 115 lone 3 100 - 3 - HB3 LEU 70 - H LYS 115 lone 3 94 - 3 - QB ALA 46 - H LYS 115 lone 2 90 - 2 - HG12 ILE 3 - H LYS 115 lone 2 100 - 2 - HG2 LYS 65 - H GLN 100 lone 2 52 - 3 - HB3 LEU 70 - H GLN 100 lone 2 58 - 3 - 3.8/428=1 HG LEU 55 - H LYS 115 lone 1 99 - 1 - HB VAL 78 - H LYS 115 lone 1 99 - 1 - HD2 LYS 106 - H GLN 100 lone 0 67 - 1 - HD3 LYS 106 - H GLN 100 lone 0 67 - 1 - QB ALA 46 - H GLN 100 lone 0 54 - 1 - HG2 LYS 123 - H GLN 100 lone 0 47 - 1 - HB VAL 78 - H GLN 100 lone 0 65 - 1 - HG LEU 55 - H GLN 100 lone 0 64 - 0 - HG12 ILE 3 - H GLN 100 lone 0 67 - 0 - Peak 1754 from nnoeabs.peaks (1.30, 7.62, 119.07 ppm; 4.35 A): 2 out of 4 assignments used, quality = 0.94: * HG3 LYS 115 + H LYS 115 OK 94 100 - 94 - 5.0=66, 1.8/1753=23...(22) HG3 LYS 115 + H GLN 100 OK 12 67 - 18 - 6739=6, 1.8/6729=3...(4) HB3 LEU 80 - H LYS 115 lone 7 87 - 8 - 730/4.6=2, ~10452=2, 10969/4.0=1 HB3 LEU 80 - H GLN 100 lone 0 52 - 1 - Peak 1755 from nnoeabs.peaks (1.66, 7.62, 119.07 ppm; 3.61 A): 5 out of 26 assignments used, quality = 0.99: * HD2 LYS 115 + H LYS 115 OK 75 100 - 75 - 6.0=22, 2.9/1754=18...(21) HD3 LYS 115 + H LYS 115 OK 75 100 - 75 - 6.0=22, 2.9/1754=18...(21) HG LEU 114 + H LYS 115 OK 54 99 - 54 - 3.0/721=13, 5.2/718=12...(9) HD2 LYS 65 + H LYS 115 OK 48 100 - 48 - 3.0/1753=7, 6706/3.0=4...(23) HD3 LYS 65 + H LYS 115 OK 47 99 - 48 - 3.0/1753=7, 6705/3.0=4...(23) HG LEU 64 - H LYS 115 OK 16 81 - 20 - 2.1/723=4, 2.1/4786=4...(7) HG LEU 114 - H GLN 100 poor 7 64 - 11 - 3.0/7883=2, 2.1/7886=2...(6) HD2 LYS 115 - H GLN 100 lone 6 67 - 10 - 2.9/6739=3, 2.9/6729=2 HD3 LYS 115 - H GLN 100 lone 6 66 - 10 - 2.9/6739=3, 2.9/6729=2 HB ILE 5 - H LYS 115 lone 3 92 - 3 - HB2 ARG 30 - H LYS 115 lone 2 100 - 2 - HD2 LYS 65 - H GLN 100 lone 2 67 - 3 - HD3 LYS 65 - H GLN 100 lone 2 64 - 3 - HG LEU 90 - H LYS 115 lone 1 70 - 2 - HD2 LYS 49 - H LYS 115 lone 1 100 - 1 - HD3 LYS 49 - H LYS 115 lone 1 100 - 1 - HG LEU 64 - H GLN 100 lone 1 47 - 3 - HB2 GLU 52 - H LYS 115 lone 1 100 - 1 - HD3 LYS 49 - H GLN 100 lone 0 66 - 1 - HD2 LYS 49 - H GLN 100 lone 0 66 - 1 - HG3 ARG 95 - H LYS 115 lone 0 61 - 1 - HB2 ARG 30 - H GLN 100 lone 0 67 - 1 - HG LEU 90 - H GLN 100 lone 0 39 - 1 - HB ILE 5 - H GLN 100 lone 0 56 - 1 - HG3 ARG 95 - H GLN 100 lone 0 34 - 1 - HB2 GLU 52 - H GLN 100 lone 0 67 - 1 - Peak 1756 from nnoeabs.peaks (1.66, 7.62, 119.07 ppm; 3.61 A): 5 out of 26 assignments used, quality = 0.99: * HD3 LYS 115 + H LYS 115 OK 75 100 - 75 - 6.0=22, 2.9/1754=18...(21) HD2 LYS 115 + H LYS 115 OK 75 100 - 75 - 6.0=22, 2.9/1754=18...(21) HG LEU 114 + H LYS 115 OK 51 96 - 54 - 3.0/721=13, 5.2/718=12...(8) HD2 LYS 65 + H LYS 115 OK 47 99 - 48 - 3.0/1753=7, 6706/3.0=4...(23) HD3 LYS 65 + H LYS 115 OK 46 96 - 48 - 3.0/1753=7, 6705/3.0=4...(23) HG LEU 64 - H LYS 115 OK 14 70 - 20 - 2.1/723=4, 2.1/4786=4...(7) HG LEU 114 - H GLN 100 poor 7 60 - 11 - 3.0/7883=2, 2.1/7886=2...(6) HD3 LYS 115 - H GLN 100 lone 7 67 - 10 - 2.9/6739=3, 2.9/6729=2 HD2 LYS 115 - H GLN 100 lone 6 66 - 10 - 2.9/6739=3, 2.9/6729=2 HB ILE 5 - H LYS 115 lone 3 84 - 3 - HB2 ARG 30 - H LYS 115 lone 2 99 - 2 - HD2 LYS 65 - H GLN 100 lone 2 64 - 3 - HD3 LYS 65 - H GLN 100 lone 2 60 - 3 - HD2 LYS 49 - H LYS 115 lone 1 98 - 1 - HD3 LYS 49 - H LYS 115 lone 1 98 - 1 - HG LEU 64 - H GLN 100 lone 1 39 - 2 - HB2 GLU 52 - H LYS 115 lone 1 100 - 1 - HD2 LYS 43 - H LYS 115 lone 1 61 - 1 - HG3 ARG 95 - H GLN 100 lone 1 42 - 1 - HG3 ARG 95 - H LYS 115 lone 0 73 - 1 - HD2 LYS 49 - H GLN 100 lone 0 63 - 1 - HD3 LYS 49 - H GLN 100 lone 0 63 - 1 - HB2 ARG 30 - H GLN 100 lone 0 64 - 1 - HB2 GLU 52 - H GLN 100 lone 0 66 - 1 - HB ILE 5 - H GLN 100 lone 0 50 - 1 - HD2 LYS 43 - H GLN 100 lone 0 34 - 1 - Peak 1757 from nnoeabs.peaks (2.91, 7.62, 119.07 ppm; 5.72 A): 4 out of 28 assignments used, quality = 1.00: * HE2 LYS 115 + H LYS 115 OK 91 100 - 91 - 7.2=50, 3.7/1754=34...(17) HE3 LYS 115 + H LYS 115 OK 91 100 - 91 - 7.2=50, 3.7/1754=34...(17) HE2 LYS 65 + H LYS 115 OK 57 97 - 60 - 3.7/1753=11, 3.0/1756=7...(20) HE3 LYS 65 + H LYS 115 OK 57 97 - 60 - 3.7/1753=11, 3.0/1756=7...(20) HE3 LYS 17 - H LYS 115 OK 22 94 - 23 - 11218/4.9=11, 2894/4.3=3...(7) HE3 LYS 16 - H LYS 115 OK 15 100 - 14 - 3.7/2760=2, 3.7/2750=2 HE2 LYS 16 - H LYS 115 OK 15 100 - 14 - 3.7/2760=2, 3.7/2750=2 HE3 LYS 115 - H GLN 100 poor 9 67 - 14 - 3.7/6739=5, 3.7/6729=3...(4) HE2 LYS 115 - H GLN 100 poor 9 67 - 14 - 3.7/6739=5, 3.7/6729=3...(4) HB2 ASN 33 - H LYS 115 lone 4 100 - 4 - 4.0/1878=1 HB2 ASN 8 - H LYS 115 lone 4 65 - 6 - 9101/4.9=3 HE2 LYS 65 - H GLN 100 lone 3 62 - 5 - HE3 LYS 65 - H GLN 100 lone 3 62 - 5 - HE3 LYS 94 - H LYS 115 lone 3 96 - 3 - HB2 ASP 34 - H LYS 115 lone 3 100 - 3 - HB2 ASN 33 - H GLN 100 lone 2 67 - 3 - HE3 LYS 17 - H GLN 100 lone 2 58 - 3 - HB3 ASN 88 - H LYS 115 lone 2 99 - 2 - HE3 LYS 16 - H GLN 100 lone 2 67 - 3 - HE2 LYS 16 - H GLN 100 lone 2 67 - 3 - HB2 ASP 34 - H GLN 100 lone 2 67 - 3 - HB2 ASN 10 - H LYS 115 lone 2 100 - 2 - HB3 ASN 88 - H GLN 100 lone 1 65 - 2 - HB2 ASP 86 - H LYS 115 lone 1 65 - 2 - HB2 ASN 10 - H GLN 100 lone 1 66 - 2 - HE3 LYS 94 - H GLN 100 lone 1 60 - 2 - HB2 ASN 8 - H GLN 100 lone 1 37 - 2 - HB2 ASP 86 - H GLN 100 lone 1 37 - 2 - Peak 1758 from nnoeabs.peaks (2.91, 7.62, 119.07 ppm; 5.72 A): 4 out of 28 assignments used, quality = 1.00: HE2 LYS 115 + H LYS 115 OK 91 100 - 91 - 7.2=50, 3.7/1754=34...(17) * HE3 LYS 115 + H LYS 115 OK 91 100 - 91 - 7.2=50, 3.7/1754=34...(17) HE2 LYS 65 + H LYS 115 OK 57 97 - 60 - 3.7/1753=11, 3.0/1756=7...(20) HE3 LYS 65 + H LYS 115 OK 57 97 - 60 - 3.7/1753=11, 3.0/1756=7...(20) HE3 LYS 17 - H LYS 115 OK 22 94 - 23 - 11218/4.9=11, 2894/4.3=3...(7) HE3 LYS 16 - H LYS 115 OK 15 100 - 14 - 3.7/2760=2, 3.7/2750=2 HE2 LYS 16 - H LYS 115 OK 15 100 - 14 - 3.7/2760=2, 3.7/2750=2 HE3 LYS 115 - H GLN 100 poor 9 67 - 14 - 3.7/6739=5, 3.7/6729=3...(4) HE2 LYS 115 - H GLN 100 poor 9 67 - 14 - 3.7/6739=5, 3.7/6729=3...(4) HB2 ASN 33 - H LYS 115 lone 4 100 - 4 - 4.0/1878=1 HB2 ASN 8 - H LYS 115 lone 4 65 - 6 - 9101/4.9=3 HE2 LYS 65 - H GLN 100 lone 3 62 - 5 - HE3 LYS 65 - H GLN 100 lone 3 62 - 5 - HE3 LYS 94 - H LYS 115 lone 3 96 - 3 - HB2 ASP 34 - H LYS 115 lone 3 100 - 3 - HB2 ASN 33 - H GLN 100 lone 2 67 - 3 - HE3 LYS 17 - H GLN 100 lone 2 58 - 3 - HB3 ASN 88 - H LYS 115 lone 2 99 - 2 - HE3 LYS 16 - H GLN 100 lone 2 67 - 3 - HE2 LYS 16 - H GLN 100 lone 2 67 - 3 - HB2 ASP 34 - H GLN 100 lone 2 67 - 3 - HB2 ASN 10 - H LYS 115 lone 2 100 - 2 - HB3 ASN 88 - H GLN 100 lone 1 65 - 2 - HB2 ASP 86 - H LYS 115 lone 1 65 - 2 - HB2 ASN 10 - H GLN 100 lone 1 66 - 2 - HE3 LYS 94 - H GLN 100 lone 1 60 - 2 - HB2 ASN 8 - H GLN 100 lone 1 37 - 2 - HB2 ASP 86 - H GLN 100 lone 1 37 - 2 - Peak 1759 from nnoeabs.peaks (8.00, 8.00, 120.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ILE 116 + H ILE 116 OK 100 100 - 100 Peak 1760 from nnoeabs.peaks (3.46, 8.00, 120.61 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 116 + H ILE 116 OK 100 100 - 100 - 3.0=100 Peak 1761 from nnoeabs.peaks (1.63, 8.00, 120.61 ppm; 3.12 A): 1 out of 12 assignments used, quality = 0.83: * HB ILE 116 + H ILE 116 OK 83 100 - 83 - 3.9=50, 2.1/1762=21...(12) HB3 LEU 64 - H ILE 116 lone 8 100 - 8 - 3.1/10478=3, 3.6/725=2 HG LEU 64 - H ILE 116 lone 7 87 - 9 - 2.1/10478=3, 5.2/725=1 HB2 LEU 82 - H ILE 116 lone 5 94 - 5 - 3.1/10478=1, 3.0/1763=1 HG LEU 63 - H ILE 116 lone 2 92 - 2 - HG2 LYS 16 - H ILE 116 lone 2 100 - 2 - HB ILE 5 - H ILE 116 lone 1 73 - 2 - HG LEU 90 - H ILE 116 lone 1 94 - 1 - HD2 LYS 77 - H ILE 116 lone 1 98 - 1 - HD3 LYS 77 - H ILE 116 lone 1 97 - 1 - HG3 LYS 40 - H ILE 116 lone 0 92 - 0 - HB3 LEU 127 - H ILE 116 lone 0 70 - 0 - Peak 1762 from nnoeabs.peaks (0.04, 8.00, 120.61 ppm; 4.02 A): 1 out of 1 assignment used, quality = 0.99: * QG2 ILE 116 + H ILE 116 OK 99 100 - 99 - 4.0=99 Peak 1763 from nnoeabs.peaks (1.58, 8.00, 120.61 ppm; 3.30 A): 1 out of 12 assignments used, quality = 0.81: * HG12 ILE 116 + H ILE 116 OK 81 100 - 81 - 4.5=39, 1.8/1764=27...(9) HG LEU 82 - H ILE 116 lone 4 81 - 6 - 2.1/10478=2, 3.0/1761=1 HG LEU 68 - H ILE 116 lone 3 99 - 3 - 7645/4.6=1 HG2 LYS 123 - H ILE 116 lone 2 94 - 2 - HB3 LEU 70 - H ILE 116 lone 1 81 - 1 - HG3 LYS 96 - H ILE 116 lone 1 81 - 1 - HG2 LYS 44 - H ILE 116 lone 1 100 - 1 - HG2 LYS 73 - H ILE 116 lone 1 84 - 1 - HG LEU 55 - H ILE 116 lone 1 65 - 1 - HD3 LYS 19 - H ILE 116 lone 0 92 - 0 - HD2 LYS 19 - H ILE 116 lone 0 92 - 0 - HG3 LYS 19 - H ILE 116 lone 0 87 - 0 - Peak 1764 from nnoeabs.peaks (0.97, 8.00, 120.61 ppm; 3.70 A): 1 out of 5 assignments used, quality = 0.91: * HG13 ILE 116 + H ILE 116 OK 91 100 - 91 - 4.5=55, 1.8/1763=35...(11) QD1 ILE 3 - H ILE 116 lone 5 100 - 5 - 2.1/729=1 HG13 ILE 56 - H ILE 116 lone 2 87 - 3 - QD1 LEU 38 - H ILE 116 lone 1 96 - 1 - HD3 LYS 2 - H ILE 116 lone 1 92 - 1 - Peak 1765 from nnoeabs.peaks (0.68, 8.00, 120.61 ppm; 3.70 A): 2 out of 7 assignments used, quality = 0.95: * QD1 ILE 116 + H ILE 116 OK 93 100 - 93 - 4.7=49, 2.1/1763=33...(18) QD2 LEU 114 + H ILE 116 OK 30 92 - 33 - 4.9/1958=15, 4.5/2193=12...(6) QG2 ILE 97 - H ILE 116 OK 11 100 - 11 - 10115/4.4=2, 10115/4.4=2 QD1 LEU 55 - H ILE 116 lone 2 99 - 2 - QG2 ILE 56 - H ILE 116 lone 2 81 - 2 - QD1 ILE 56 - H ILE 116 lone 2 61 - 3 - QD2 LEU 4 - H ILE 116 lone 2 100 - 2 - Peak 1766 from nnoeabs.peaks (8.12, 8.12, 120.23 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H VAL 117 + H VAL 117 OK 100 100 - 100 H ALA 113 + H ALA 113 OK 96 96 - 100 Peak 1767 from nnoeabs.peaks (3.26, 8.12, 120.23 ppm; 3.21 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 117 + H VAL 117 OK 100 100 - 100 - 3.0=100 Peak 1768 from nnoeabs.peaks (2.05, 8.12, 120.23 ppm; 2.89 A): 2 out of 34 assignments used, quality = 0.77: * HB VAL 117 + H VAL 117 OK 58 100 - 58 - 4.0=39, 2.1/6841=15...(5) HB VAL 117 + H ALA 113 OK 45 97 - 46 - 2.1/6841=12, 6836=12...(11) HB2 GLU 47 - H ALA 113 lone 2 89 - 2 - HB2 GLU 66 - H ALA 113 lone 1 92 - 2 - HB2 GLU 66 - H VAL 117 lone 1 97 - 1 - HB3 GLN 100 - H ALA 113 lone 1 97 - 1 - HB2 GLU 89 - H ALA 113 lone 1 92 - 1 - HB3 GLU 89 - H ALA 113 lone 1 92 - 1 - HB2 GLU 92 - H ALA 113 lone 1 94 - 1 - HB3 MET 67 - H VAL 117 lone 1 100 - 1 - HB3 GLN 85 - H ALA 113 lone 1 92 - 1 - HB3 GLN 100 - H VAL 117 lone 1 100 - 1 - HB2 GLU 48 - H ALA 113 lone 1 92 - 1 - HB3 GLU 48 - H ALA 113 lone 1 92 - 1 - HB3 GLU 87 - H ALA 113 lone 1 92 - 1 - HB2 GLU 47 - H VAL 117 lone 1 94 - 1 - HB3 MET 67 - H ALA 113 lone 1 97 - 1 - HB3 GLU 87 - H VAL 117 lone 1 97 - 1 - HB3 GLN 85 - H VAL 117 lone 1 97 - 1 - HB3 GLU 89 - H VAL 117 lone 1 97 - 1 - HB2 GLU 89 - H VAL 117 lone 1 97 - 1 - HB2 GLU 92 - H VAL 117 lone 1 98 - 1 - HB3 GLU 48 - H VAL 117 lone 1 97 - 1 - HB2 GLU 48 - H VAL 117 lone 1 97 - 1 - HB3 GLU 98 - H ALA 113 lone 0 94 - 0 - HB2 GLN 28 - H ALA 113 lone 0 72 - 1 - HG3 GLU 52 - H ALA 113 lone 0 96 - 0 - HB3 GLU 98 - H VAL 117 lone 0 98 - 0 - HB2 GLU 13 - H VAL 117 lone 0 70 - 0 - HG3 GLU 52 - H VAL 117 lone 0 100 - 0 - HB2 GLN 28 - H VAL 117 lone 0 77 - 0 - HB2 GLU 13 - H ALA 113 lone 0 64 - 0 - HB2 MET 1 - H VAL 117 lone 0 70 - 0 - HB2 MET 1 - H ALA 113 lone 0 64 - 0 - Peak 1769 from nnoeabs.peaks (0.86, 8.12, 120.23 ppm; 2.83 A): 5 out of 22 assignments used, quality = 0.92: * QG2 VAL 117 + H VAL 117 OK 60 100 - 60 - 4.0=35, 2.1/1768=13...(8) QG2 VAL 117 + H ALA 113 OK 51 97 - 52 - 6841=16, 2.1/1768=10...(11) QG2 VAL 107 + H ALA 113 OK 45 96 - 47 - 10307/3.0=12...(13) QD1 LEU 14 + H ALA 113 OK 18 94 - 19 - 10418/2.9=4, 9168/8232=3...(9) QG2 VAL 107 + H VAL 117 OK 14 100 - 14 - 10492/4.3=3, 11185/4.4=2...(4) QG2 THR 9 - H ALA 113 lone 5 97 - 5 - 9125/4.6=1 QG1 VAL 32 - H ALA 113 lone 4 97 - 5 - QD1 LEU 14 - H VAL 117 lone 4 98 - 4 - QG2 ILE 15 - H ALA 113 lone 3 60 - 5 - 4.1/709=1, 10418/2.9=1 QG2 ILE 15 - H VAL 117 lone 3 65 - 4 - QG2 VAL 22 - H VAL 117 lone 3 90 - 3 - HG13 ILE 5 - H ALA 113 lone 3 57 - 5 - ~10421=1 HG13 ILE 5 - H VAL 117 lone 3 61 - 4 - ~10502=2 QG2 THR 9 - H VAL 117 lone 2 100 - 2 - QG1 VAL 32 - H VAL 117 lone 2 100 - 2 - QG2 VAL 22 - H ALA 113 lone 2 84 - 2 - HG13 ILE 57 - H ALA 113 lone 2 94 - 2 - HG13 ILE 57 - H VAL 117 lone 2 98 - 2 - QD2 LEU 90 - H ALA 113 lone 2 64 - 2 - QD2 LEU 90 - H VAL 117 lone 1 70 - 1 - QG2 VAL 104 - H VAL 117 lone 1 61 - 1 - QG2 VAL 104 - H ALA 113 lone 1 57 - 1 - Peak 1770 from nnoeabs.peaks (0.72, 8.12, 120.23 ppm; 3.24 A): 3 out of 22 assignments used, quality = 0.92: * QG1 VAL 117 + H VAL 117 OK 75 100 - 75 - 4.0=53, 2.1/6841=19...(8) QG1 VAL 117 + H ALA 113 OK 57 97 - 59 - 2.1/6841=15, 2.1/1768=13...(12) QD2 LEU 81 + H VAL 117 OK 26 77 - 34 - 9959/4.3=9, 2.1/11601=7...(7) HG13 ILE 18 - H ALA 113 OK 19 91 - 21 - ~10421=8, 10419/2.9=5...(5) QG2 ILE 18 - H ALA 113 OK 18 96 - 19 - ~10421=6, 10419/2.9=5...(6) QD2 LEU 81 - H ALA 113 OK 17 72 - 24 - 2.1/11601=5, 10419/2.9=4...(9) HG13 ILE 18 - H VAL 117 lone 6 96 - 6 - ~10502=3 QG2 ILE 18 - H VAL 117 lone 5 100 - 5 - ~10502=3 QD2 LEU 63 - H ALA 113 lone 4 81 - 5 - QD2 LEU 63 - H VAL 117 lone 4 87 - 4 - QG2 VAL 78 - H ALA 113 lone 2 96 - 3 - ~10421=1 QD2 LEU 55 - H ALA 113 lone 2 72 - 3 - QG2 VAL 78 - H VAL 117 lone 2 99 - 2 - QD1 LEU 6 - H VAL 117 lone 2 98 - 2 - QD1 ILE 57 - H VAL 117 lone 1 81 - 2 - QD1 ILE 57 - H ALA 113 lone 1 75 - 2 - QD1 LEU 6 - H ALA 113 lone 1 94 - 1 - QD2 LEU 45 - H VAL 117 lone 1 99 - 1 - QD2 LEU 45 - H ALA 113 lone 1 96 - 1 - QD2 LEU 55 - H VAL 117 lone 1 77 - 1 - QD2 LEU 6 - H VAL 117 lone 1 81 - 1 - QD2 LEU 6 - H ALA 113 lone 1 75 - 1 - Peak 1771 from nnoeabs.peaks (8.03, 8.03, 118.42 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * H ARG 118 + H ARG 118 OK 100 100 - 100 H LYS 65 + H LYS 65 OK 52 52 - 100 Peak 1772 from nnoeabs.peaks (3.89, 8.03, 118.42 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 118 + H ARG 118 OK 100 100 - 100 - 2.9=100 Peak 1773 from nnoeabs.peaks (1.80, 8.03, 118.42 ppm; 3.35 A): 4 out of 18 assignments used, quality = 0.93: * HB2 ARG 118 + H ARG 118 OK 83 100 - 83 - 4.1=56, 1.8/1774=17...(12) HB2 LEU 64 + H LYS 65 OK 37 57 - 65 - 4.2=49, 4781/4.7=9...(8) HB2 ARG 118 + H LYS 65 OK 24 68 - 36 - 3.0/6875=6, 1.8/1774=5...(12) HB2 LEU 64 + H ARG 118 OK 12 92 - 13 - 10520/4.3=3, 10964/4.3=3...(4) HB ILE 97 - H LYS 65 lone 3 59 - 5 - 10134/4.7=3, ~10124=1 HG2 ARG 105 - H ARG 118 lone 3 98 - 3 - 749/4.6=1 HG12 ILE 5 - H ARG 118 lone 3 96 - 3 - 10510/4.3=2 HG2 ARG 105 - H LYS 65 lone 2 64 - 4 - HB2 LYS 19 - H LYS 65 lone 2 55 - 4 - 11029/4.7=1, 4781/4.7=1 HB2 LYS 19 - H ARG 118 lone 2 90 - 2 - 10520/4.3=1 HB3 ARG 105 - H ARG 118 lone 2 70 - 2 - HB ILE 97 - H ARG 118 lone 1 94 - 1 - HB3 GLN 28 - H ARG 118 lone 1 73 - 1 - HB ILE 3 - H ARG 118 lone 1 97 - 1 - HG12 ILE 5 - H LYS 65 lone 1 61 - 1 - HB ILE 3 - H LYS 65 lone 1 62 - 1 - HB3 ARG 105 - H LYS 65 lone 0 40 - 1 - HB3 GLN 28 - H LYS 65 lone 0 42 - 1 - Peak 1774 from nnoeabs.peaks (1.87, 8.03, 118.42 ppm; 3.39 A): 4 out of 24 assignments used, quality = 0.91: * HB3 ARG 118 + H ARG 118 OK 84 100 - 84 - 4.1=58, 1.8/1773=17...(11) HB3 ARG 118 + H LYS 65 OK 25 68 - 37 - 3.0/6875=6, 1.8/1773=5...(13) HB2 LEU 63 + H LYS 65 OK 13 68 - 19 - 386/4.6=8, 3.0/8109=4...(4) QE MET 67 + H LYS 65 OK 12 59 - 21 - 9729/3.6=7, 9736/4.6=4...(5) HB2 LEU 63 - H ARG 118 lone 8 100 - 8 - 4.6/1907=2, 3.0/8109=2 QE MET 67 - H ARG 118 lone 5 94 - 5 - 9724/4.3=1 HB2 ARG 105 - H ARG 118 lone 3 81 - 3 - QE MET 42 - H LYS 65 lone 3 65 - 4 - HB2 LYS 20 - H ARG 118 lone 2 61 - 4 - 2.9/1776=1 HB3 LYS 20 - H ARG 118 lone 2 61 - 4 - 2.9/1776=1 HG LEU 45 - H ARG 118 lone 2 90 - 2 - HG2 ARG 95 - H LYS 65 lone 2 65 - 3 - 7791/4.6=2 HB2 LYS 16 - H ARG 118 lone 1 94 - 1 - HB2 ARG 105 - H LYS 65 lone 1 48 - 3 - HB3 LYS 16 - H ARG 118 lone 1 92 - 1 - HB3 LYS 20 - H LYS 65 lone 1 34 - 3 - 4.6/9206=1 HB2 LYS 20 - H LYS 65 lone 1 34 - 3 - 4.6/9206=1 HG LEU 45 - H LYS 65 lone 1 55 - 2 - QE MET 42 - H ARG 118 lone 1 99 - 1 - HG2 ARG 95 - H ARG 118 lone 1 99 - 1 - HB2 LYS 16 - H LYS 65 lone 1 59 - 1 - HB3 LYS 16 - H LYS 65 lone 1 57 - 1 - HG LEU 127 - H ARG 118 lone 0 84 - 0 - HG LEU 127 - H LYS 65 lone 0 50 - 1 - Peak 1775 from nnoeabs.peaks (1.73, 8.03, 118.42 ppm; 3.36 A): 3 out of 20 assignments used, quality = 0.88: * HG2 ARG 118 + H ARG 118 OK 80 100 - 80 - 4.5=43, 1.8/1776=18...(11) HG2 ARG 118 + H LYS 65 OK 27 68 - 41 - 6875=7, 1.8/1776=6...(13) HB2 LEU 114 + H ARG 118 OK 15 98 - 15 - 3.0/2212=7, 6855/2.9=3...(4) HB2 LEU 114 - H LYS 65 poor 10 64 - 16 - ~8127=3, 3.0/2212=3...(6) HB2 LEU 68 - H LYS 65 poor 9 37 - 25 - ~8127=8, 8125/3.0=5...(7) HB3 LEU 90 - H LYS 65 lone 3 62 - 5 - HB3 LEU 90 - H ARG 118 lone 2 97 - 3 - HB3 LYS 94 - H LYS 65 lone 2 64 - 4 - HB3 LEU 82 - H ARG 118 lone 2 97 - 2 - HB2 LEU 68 - H ARG 118 lone 2 65 - 3 - HG12 ILE 15 - H ARG 118 lone 2 100 - 2 - HD3 LYS 123 - H LYS 65 lone 2 34 - 6 - 8125/3.0=2, 7129/4.0=1 HB2 LYS 106 - H ARG 118 lone 2 84 - 2 - HB3 LYS 106 - H ARG 118 lone 2 77 - 2 - HB3 LYS 94 - H ARG 118 lone 1 98 - 1 - HB3 LEU 82 - H LYS 65 lone 1 62 - 2 - HD3 LYS 123 - H ARG 118 lone 1 61 - 1 - HB2 LYS 106 - H LYS 65 lone 1 50 - 1 - HB3 LYS 106 - H LYS 65 lone 1 45 - 1 - HG12 ILE 15 - H LYS 65 lone 0 67 - 1 - Peak 1776 from nnoeabs.peaks (1.48, 8.03, 118.42 ppm; 3.80 A): 2 out of 16 assignments used, quality = 0.93: * HG3 ARG 118 + H ARG 118 OK 90 100 - 90 - 4.5=62, 6856/2.9=23...(10) HG3 ARG 118 + H LYS 65 OK 31 68 - 46 - 1.8/6875=10, 3.0/6899=6...(13) HG3 LYS 20 - H ARG 118 lone 6 97 - 6 - 6856/2.9=1 HB3 LEU 14 - H ARG 118 lone 4 77 - 5 - ~11516=1, 6856/2.9=1 HB3 LEU 45 - H ARG 118 lone 3 100 - 3 - HG3 LYS 73 - H ARG 118 lone 3 99 - 3 - HG3 LYS 20 - H LYS 65 lone 3 62 - 4 - 4.9/9206=1 HG3 LYS 73 - H LYS 65 lone 2 65 - 3 - HD2 LYS 53 - H ARG 118 lone 1 100 - 1 - HB2 LEU 74 - H ARG 118 lone 1 70 - 2 - HB3 LEU 45 - H LYS 65 lone 1 67 - 2 - HG2 ARG 30 - H ARG 118 lone 1 81 - 1 - HB2 LEU 74 - H LYS 65 lone 1 40 - 2 - HB3 LEU 14 - H LYS 65 lone 0 45 - 1 - HG2 ARG 30 - H LYS 65 lone 0 48 - 1 - HD2 LYS 53 - H LYS 65 lone 0 67 - 1 - Peak 1777 from nnoeabs.peaks (3.15, 8.03, 118.42 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 118 + H ARG 118 OK 100 100 - 100 - 6.1=100 Peak 1778 from nnoeabs.peaks (2.97, 8.03, 118.42 ppm; 5.60 A): 2 out of 32 assignments used, quality = 0.99: * HD3 ARG 118 + H ARG 118 OK 97 100 - 97 - 6.1=78, 3.0/1776=29...(10) HD3 ARG 118 + H LYS 65 OK 50 68 - 74 - 6899=17, 10540/3.0=16...(14) HB3 ASN 24 - H ARG 118 OK 20 99 - 20 - 10883=9, 1.8/10883=8 HB2 ASN 24 - H ARG 118 OK 20 99 - 20 - 10883=9, 1.8/10883=8 HE2 LYS 20 - H ARG 118 lone 6 97 - 7 - 3.9/1776=2 HE3 LYS 20 - H ARG 118 lone 6 97 - 7 - 3.9/1776=2 HE3 LYS 73 - H ARG 118 lone 4 98 - 4 - HE2 LYS 73 - H ARG 118 lone 3 90 - 4 - HE3 LYS 20 - H LYS 65 lone 3 62 - 5 - HE2 LYS 20 - H LYS 65 lone 3 62 - 5 - HE3 LYS 73 - H LYS 65 lone 3 64 - 4 - HE3 LYS 106 - H ARG 118 lone 2 65 - 3 - HE2 LYS 73 - H LYS 65 lone 2 55 - 4 - HE2 LYS 106 - H ARG 118 lone 2 61 - 3 - HE3 LYS 43 - H ARG 118 lone 2 99 - 2 - HE2 LYS 43 - H ARG 118 lone 2 94 - 2 - HE3 LYS 40 - H ARG 118 lone 2 99 - 2 - HE2 LYS 40 - H ARG 118 lone 2 100 - 2 - HE2 LYS 39 - H ARG 118 lone 2 96 - 2 - HE3 LYS 43 - H LYS 65 lone 2 66 - 2 - HE3 LYS 39 - H ARG 118 lone 1 92 - 2 - HB3 PHE 51 - H ARG 118 lone 1 99 - 1 - HB2 ASN 24 - H LYS 65 lone 1 66 - 2 - HB3 ASN 24 - H LYS 65 lone 1 66 - 2 - HE2 LYS 43 - H LYS 65 lone 1 59 - 2 - HE2 LYS 40 - H LYS 65 lone 1 67 - 2 - HE3 LYS 40 - H LYS 65 lone 1 65 - 2 - HE3 LYS 106 - H LYS 65 lone 1 37 - 3 - HE2 LYS 39 - H LYS 65 lone 1 61 - 2 - HE2 LYS 106 - H LYS 65 lone 1 34 - 3 - HE3 LYS 39 - H LYS 65 lone 1 57 - 2 - HB3 PHE 51 - H LYS 65 lone 1 66 - 2 - Peak 1779 from nnoeabs.peaks (7.92, 7.92, 122.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 119 + H GLU 119 OK 100 100 - 100 Peak 1780 from nnoeabs.peaks (4.03, 7.92, 122.42 ppm; 3.29 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 119 + H GLU 119 OK 100 100 - 100 - 3.0=100 Peak 1781 from nnoeabs.peaks (2.12, 7.92, 122.42 ppm; 2.86 A): 2 out of 14 assignments used, quality = 0.93: * HB2 GLU 119 + H GLU 119 OK 74 100 - 74 - 4.0=38, 3.0/1784=14...(18) HB3 GLU 119 + H GLU 119 OK 74 100 - 74 - 4.0=38, 3.0/1784=14...(18) HB3 GLU 92 - H GLU 119 lone 3 92 - 4 - HB VAL 107 - H GLU 119 lone 3 100 - 3 - 8269/2216=1 HB2 GLU 91 - H GLU 119 lone 2 96 - 2 - HB2 GLU 21 - H GLU 119 lone 1 100 - 1 - HB2 LEU 38 - H GLU 119 lone 1 100 - 1 - HG2 GLU 41 - H GLU 119 lone 1 73 - 1 - HG2 GLU 21 - H GLU 119 lone 1 90 - 1 - HG3 GLN 83 - H GLU 119 lone 0 100 - 0 - HG3 GLU 21 - H GLU 119 lone 0 84 - 1 - HB2 GLU 111 - H GLU 119 lone 0 65 - 1 - HB3 GLU 47 - H GLU 119 lone 0 97 - 0 - HG2 GLU 52 - H GLU 119 lone 0 70 - 0 - Peak 1782 from nnoeabs.peaks (2.11, 7.92, 122.42 ppm; 2.86 A): 2 out of 14 assignments used, quality = 0.93: * HB3 GLU 119 + H GLU 119 OK 74 100 - 74 - 4.0=38, 3.0/1784=14...(18) HB2 GLU 119 + H GLU 119 OK 74 100 - 74 - 4.0=38, 3.0/1784=14...(18) HB3 GLU 92 - H GLU 119 lone 4 97 - 4 - HB VAL 107 - H GLU 119 lone 3 100 - 3 - 8271/2216=1 HB2 GLU 91 - H GLU 119 lone 2 90 - 2 - HB2 GLU 21 - H GLU 119 lone 1 100 - 1 - HB2 LEU 38 - H GLU 119 lone 1 100 - 1 - HG2 GLU 21 - H GLU 119 lone 1 96 - 1 - HG2 GLU 41 - H GLU 119 lone 1 61 - 1 - HG3 GLU 21 - H GLU 119 lone 1 92 - 1 - HG3 GLN 83 - H GLU 119 lone 0 100 - 0 - HB2 GLU 111 - H GLU 119 lone 0 77 - 1 - HB3 GLU 47 - H GLU 119 lone 0 99 - 0 - HG2 GLU 52 - H GLU 119 lone 0 81 - 0 - Peak 1783 from nnoeabs.peaks (2.08, 7.92, 122.42 ppm; 3.23 A): 2 out of 13 assignments used, quality = 0.81: * HG2 GLU 119 + H GLU 119 OK 75 100 - 75 - 1.8/1784=24, 5.3=23...(15) HB3 MET 121 + H GLU 119 OK 24 100 - 24 - 8286/3.6=13, 4.0/2218=8...(4) HB3 GLU 112 - H GLU 119 lone 7 97 - 7 - 4.6/2215=3 HB2 GLU 112 - H GLU 119 lone 7 96 - 7 - 4.6/2215=3 HB3 PHE 79 - H GLU 119 lone 3 100 - 3 - 759/4.6=1 HB2 GLU 103 - H GLU 119 lone 3 90 - 3 - HB3 GLU 91 - H GLU 119 lone 2 97 - 2 - HB2 LYS 94 - H GLU 119 lone 2 98 - 2 - HB3 GLU 66 - H GLU 119 lone 2 70 - 2 - HB3 GLU 69 - H GLU 119 lone 1 84 - 2 - HB2 GLU 13 - H GLU 119 lone 1 87 - 1 - HB2 GLU 87 - H GLU 119 lone 1 65 - 1 - HB2 GLN 28 - H GLU 119 lone 1 81 - 1 - Peak 1784 from nnoeabs.peaks (2.46, 7.92, 122.42 ppm; 3.81 A): 1 out of 7 assignments used, quality = 0.86: * HG3 GLU 119 + H GLU 119 OK 86 100 - 86 - 6931=39, 1.8/6925=29...(15) HB2 ASP 31 - H GLU 119 lone 2 96 - 2 - HB3 ASP 31 - H GLU 119 lone 2 94 - 2 - HB2 TYR 102 - H GLU 119 lone 2 84 - 3 - 4.6/2218=1 HG3 GLU 41 - H GLU 119 lone 2 100 - 2 - HG2 GLU 37 - H GLU 119 lone 1 70 - 1 - HG2 GLN 100 - H GLU 119 lone 1 65 - 1 - Peak 1785 from nnoeabs.peaks (8.83, 8.83, 119.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H PHE 120 + H PHE 120 OK 100 100 - 100 Peak 1786 from nnoeabs.peaks (4.02, 8.83, 119.60 ppm; 3.70 A): 2 out of 2 assignments used, quality = 1.00: * HA PHE 120 + H PHE 120 OK 100 100 - 100 - 3.0=100 HA GLU 119 + H PHE 120 OK 99 99 - 100 - 3.6=100 Peak 1787 from nnoeabs.peaks (3.22, 8.83, 119.60 ppm; 3.76 A): 1 out of 4 assignments used, quality = 0.94: * HB2 PHE 120 + H PHE 120 OK 94 100 - 94 - 4.0=85, 2.4/4700=28...(7) HA ILE 15 - H PHE 120 OK 17 100 - 17 - 3.2/10551=3, ~8299=3...(7) HD2 ARG 95 - H PHE 120 lone 2 99 - 2 - HD3 ARG 95 - H PHE 120 lone 2 99 - 2 - Peak 1788 from nnoeabs.peaks (2.34, 8.83, 119.60 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 120 + H PHE 120 OK 100 100 - 100 - 4.0=100 Peak 1792 from nnoeabs.peaks (6.79, 8.83, 119.60 ppm; 4.10 A): 1 out of 2 assignments used, quality = 0.95: * QD PHE 120 + H PHE 120 OK 95 100 - 95 - 4.5=75, 6944/3.0=35...(10) QD TYR 27 - H PHE 120 OK 10 100 - 10 - 10528/2221=3, 6944/3.0=2 Peak 1793 from nnoeabs.peaks (8.32, 8.32, 116.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H MET 121 + H MET 121 OK 100 100 - 100 Peak 1794 from nnoeabs.peaks (3.93, 8.32, 116.60 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 121 + H MET 121 OK 100 100 - 100 - 2.9=100 Peak 1795 from nnoeabs.peaks (2.29, 8.32, 116.60 ppm; 3.68 A): 1 out of 8 assignments used, quality = 0.93: * HB2 MET 121 + H MET 121 OK 93 100 - 93 - 4.0=77, 3.0/1798=27...(8) HG3 GLU 91 - H MET 121 lone 3 100 - 3 - 771/4.6=1 HG3 GLU 87 - H MET 121 lone 3 99 - 3 - 771/4.6=1 HG2 GLU 87 - H MET 121 lone 3 99 - 3 - 771/4.6=1 HG2 GLU 47 - H MET 121 lone 1 99 - 1 - HG2 GLU 111 - H MET 121 lone 1 100 - 1 - HB3 ASN 8 - H MET 121 lone 1 70 - 1 - HG2 GLU 69 - H MET 121 lone 1 70 - 1 - Peak 1796 from nnoeabs.peaks (2.08, 8.32, 116.60 ppm; 3.92 A): 1 out of 13 assignments used, quality = 0.99: * HB3 MET 121 + H MET 121 OK 99 100 - 99 - 4.0=94, 1.8/1795=36...(12) HG2 GLU 119 - H MET 121 OK 32 100 - 32 - 7916/4.6=11, 5.3/2218=10...(6) HB3 PHE 79 - H MET 121 OK 18 100 - 18 - 11693/4.6=8, 10555/3.6=3...(4) HB3 GLU 66 - H MET 121 lone 7 73 - 9 - 4.1/2228=3, 772/4.6=2 HB3 GLU 112 - H MET 121 lone 6 98 - 6 - 3.0/764=1, 3.0/764=1 HB2 GLU 112 - H MET 121 lone 6 97 - 6 - 3.0/764=1, 3.0/764=1 HB3 GLU 91 - H MET 121 lone 5 96 - 5 - 772/4.6=1 HB2 GLU 103 - H MET 121 lone 5 92 - 5 - 4702/4.6=2 HB2 LYS 94 - H MET 121 lone 4 97 - 4 - 10555/3.6=1 HB2 GLU 13 - H MET 121 lone 3 84 - 4 - HB2 GLU 87 - H MET 121 lone 3 70 - 4 - HB3 GLU 69 - H MET 121 lone 2 87 - 3 - HB2 GLN 28 - H MET 121 lone 1 77 - 2 - Peak 1797 from nnoeabs.peaks (1.92, 8.32, 116.60 ppm; 3.93 A): 2 out of 20 assignments used, quality = 0.96: * HG2 MET 121 + H MET 121 OK 94 100 - 94 - 4.6=61, 1.8/1798=39...(12) HB3 LYS 123 + H MET 121 OK 36 100 - 36 - 3.7/2235=20, 8299/3.6=5...(7) HB2 LYS 123 - H MET 121 OK 24 70 - 35 - 3.7/2235=20, 8297/3.6=5...(7) HB ILE 15 - H MET 121 OK 19 100 - 19 - 8299/3.6=6, 3.0/763=4...(6) HB2 LEU 81 - H MET 121 lone 9 100 - 9 - 4703/4.6=5, 8299/3.6=2 HB2 LEU 45 - H MET 121 lone 4 84 - 5 - HB2 LYS 43 - H MET 121 lone 4 92 - 4 - HB3 LYS 17 - H MET 121 lone 3 99 - 3 - HB2 LYS 44 - H MET 121 lone 3 98 - 3 - HB3 LYS 65 - H MET 121 lone 3 73 - 4 - HB2 LYS 65 - H MET 121 lone 3 70 - 4 - HB3 LYS 43 - H MET 121 lone 3 73 - 3 - HB3 LYS 44 - H MET 121 lone 2 90 - 3 - HB2 LYS 115 - H MET 121 lone 2 90 - 2 - HB2 GLU 128 - H MET 121 lone 2 73 - 2 - HB3 LYS 115 - H MET 121 lone 1 70 - 2 - HB2 LEU 127 - H MET 121 lone 1 73 - 2 - HB2 LYS 39 - H MET 121 lone 1 70 - 2 - HB2 LYS 96 - H MET 121 lone 1 73 - 1 - HB2 LYS 49 - H MET 121 lone 1 65 - 1 - Peak 1798 from nnoeabs.peaks (2.63, 8.32, 116.60 ppm; 3.75 A): 1 out of 4 assignments used, quality = 0.86: * HG3 MET 121 + H MET 121 OK 86 100 - 86 - 4.6=53, 3.0/1795=26...(10) HE2 LYS 53 - H MET 121 lone 1 100 - 1 - HB2 ASP 12 - H MET 121 lone 0 70 - 1 - HB3 ASP 12 - H MET 121 lone 0 70 - 1 - Peak 1799 from nnoeabs.peaks (1.83, 8.32, 116.60 ppm; 4.32 A): 2 out of 10 assignments used, quality = 0.95: * QE MET 121 + H MET 121 OK 93 100 - 93 - 7020=40, 7021/2.9=37...(12) HD2 LYS 123 + H MET 121 OK 33 84 - 40 - 6.2/2235=13, 11470/3.6=8...(8) HB ILE 18 - H MET 121 OK 30 94 - 32 - 7985/4.6=8, 3.2/10590=8...(7) HB2 LEU 14 - H MET 121 OK 13 97 - 13 - 6991/2.9=2, 1.8/10587=2...(5) HB ILE 57 - H MET 121 lone 10 97 - 10 - 6998/4.0=2, 2.1/10588=2...(6) HB3 LYS 77 - H MET 121 lone 3 90 - 3 - HB3 LYS 19 - H MET 121 lone 3 99 - 3 - HB2 LYS 77 - H MET 121 lone 3 84 - 3 - HG LEU 70 - H MET 121 lone 3 65 - 4 - HB3 ARG 105 - H MET 121 lone 1 81 - 2 - Peak 1800 from nnoeabs.peaks (8.05, 8.05, 120.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLN 122 + H GLN 122 OK 100 100 - 100 Peak 1801 from nnoeabs.peaks (4.13, 8.05, 120.56 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 122 + H GLN 122 OK 100 100 - 100 - 3.0=100 Peak 1802 from nnoeabs.peaks (2.24, 8.05, 120.56 ppm; 3.00 A): 2 out of 4 assignments used, quality = 0.89: * HB2 GLN 122 + H GLN 122 OK 67 100 - 67 - 4.0=42, 3.0/1805=14...(8) HB3 GLN 122 + H GLN 122 OK 67 100 - 67 - 4.0=42, 3.0/1805=14...(8) HG2 GLU 103 - H GLN 122 lone 1 77 - 1 - HG2 GLN 28 - H GLN 122 lone 0 100 - 0 - Peak 1803 from nnoeabs.peaks (2.24, 8.05, 120.56 ppm; 3.00 A): 2 out of 4 assignments used, quality = 0.89: HB2 GLN 122 + H GLN 122 OK 67 100 - 67 - 4.0=42, 3.0/1805=14...(8) * HB3 GLN 122 + H GLN 122 OK 67 100 - 67 - 4.0=42, 3.0/1805=14...(8) HG2 GLU 103 - H GLN 122 lone 1 77 - 1 - HG2 GLN 28 - H GLN 122 lone 0 100 - 0 - Peak 1804 from nnoeabs.peaks (2.41, 8.05, 120.56 ppm; 3.96 A): 4 out of 9 assignments used, quality = 0.92: * HG2 GLN 122 + H GLN 122 OK 84 100 - 84 - 5.1=46, 1.8/1805=31...(7) HG3 GLN 85 + H GLN 122 OK 23 100 - 23 - 7051=5, 1.8/7051=4...(8) HG2 GLN 85 + H GLN 122 OK 23 100 - 23 - 7051=5, 1.8/7051=4...(8) HG2 GLU 66 + H GLN 122 OK 17 77 - 22 - 5.0/1965=4, 3.0/772=3...(9) HG2 GLU 91 - H GLN 122 lone 9 90 - 10 - 1.8/771=3, 5.2/566=3...(4) HG3 GLN 62 - H GLN 122 lone 7 98 - 7 - 7051=2, 1.8/7051=1, 7031/3.0=1 HG2 GLN 62 - H GLN 122 lone 7 97 - 7 - 7051=1, 1.8/7051=1, 7031/3.0=1 HG3 MET 67 - H GLN 122 lone 7 90 - 7 - 5.1/1965=4, 4941/4.6=2 HB2 ASP 110 - H GLN 122 lone 1 92 - 1 - Peak 1805 from nnoeabs.peaks (2.52, 8.05, 120.56 ppm; 3.99 A): 2 out of 2 assignments used, quality = 0.86: * HG3 GLN 122 + H GLN 122 OK 83 100 - 83 - 5.1=48, 3.0/1803=19...(10) HG3 GLN 25 + H GLN 122 OK 16 100 - 16 - 7059=7, 10597/7929=5...(5) Peak 1808 from nnoeabs.peaks (8.40, 8.40, 121.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LYS 123 + H LYS 123 OK 100 100 - 100 Peak 1809 from nnoeabs.peaks (4.03, 8.40, 121.61 ppm; 4.36 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 123 + H LYS 123 OK 100 100 - 100 - 3.0=100 Peak 1810 from nnoeabs.peaks (1.93, 8.40, 121.61 ppm; 3.50 A): 1 out of 20 assignments used, quality = 0.94: * HB2 LYS 123 + H LYS 123 OK 94 100 - 94 - 3.7=82, 2.9/7097=14...(15) HG2 MET 121 - H LYS 123 OK 15 70 - 22 - 4.6/2235=13, 3.4/1814=4 HB2 LYS 65 - H LYS 123 OK 15 100 - 15 - 4.0/2089=3, 4.7/1909=3 HB3 LYS 65 - H LYS 123 OK 15 100 - 15 - 4.0/2089=3, 4.7/1909=3 HB2 LYS 39 - H LYS 123 lone 8 100 - 8 - 2.9/1813=1 HB2 LEU 70 - H LYS 123 lone 8 96 - 8 - 4.5/1966=2, 1.8/1812=2 HB3 LYS 115 - H LYS 123 lone 7 100 - 7 - HB3 LYS 39 - H LYS 123 lone 6 81 - 8 - 2.9/1813=1 HB2 LYS 115 - H LYS 123 lone 6 98 - 6 - HB2 LEU 127 - H LYS 123 lone 6 100 - 6 - 786/4.6=3 HB3 LYS 17 - H LYS 123 lone 2 87 - 2 - HB3 LYS 40 - H LYS 123 lone 2 90 - 2 - HB ILE 15 - H LYS 123 lone 2 61 - 3 - HB2 LEU 81 - H LYS 123 lone 1 77 - 2 - HB VAL 104 - H LYS 123 lone 1 87 - 1 - HB3 MET 42 - H LYS 123 lone 1 73 - 1 - HB3 GLU 41 - H LYS 123 lone 1 77 - 1 - HB2 GLU 41 - H LYS 123 lone 1 73 - 1 - HB3 GLU 52 - H LYS 123 lone 1 65 - 1 - HB VAL 29 - H LYS 123 lone 0 61 - 1 - Peak 1811 from nnoeabs.peaks (1.91, 8.40, 121.61 ppm; 3.53 A): 1 out of 19 assignments used, quality = 0.95: * HB3 LYS 123 + H LYS 123 OK 95 100 - 95 - 3.7=84, 8300/3.0=15...(16) HG2 MET 121 - H LYS 123 OK 25 100 - 25 - 4.6/2235=13, 7927/4.6=6...(4) HB2 LYS 44 - H LYS 123 OK 15 100 - 16 - 2.9/1812=2, 8065/3.0=2...(7) HB3 LYS 44 - H LYS 123 OK 15 96 - 15 - 2.9/1812=2, 8065/3.0=2...(6) HB3 LYS 65 - H LYS 123 poor 8 61 - 13 - 4.0/2089=4, 4.7/1909=3 HB2 LYS 43 - H LYS 123 lone 6 97 - 6 - 3.0/10613=1 HB2 LYS 96 - H LYS 123 lone 5 84 - 6 - 2.9/1812=1 HB ILE 71 - H LYS 123 lone 5 65 - 7 - 3.9/1966=3, 5076/4.6=1 HB3 LYS 43 - H LYS 123 lone 5 84 - 5 - 3.0/10613=1 HB2 LYS 115 - H LYS 123 lone 4 81 - 5 - HB ILE 15 - H LYS 123 lone 4 100 - 4 - 8299/8296=1 HB2 LYS 49 - H LYS 123 lone 3 77 - 4 - 1.8/1815=1 HB2 LEU 45 - H LYS 123 lone 3 92 - 3 - HB3 LYS 17 - H LYS 123 lone 3 96 - 3 - HB2 ARG 95 - H LYS 123 lone 3 70 - 4 - HB2 LEU 127 - H LYS 123 lone 2 61 - 4 - 787/4.6=2 HB2 LEU 81 - H LYS 123 lone 2 99 - 2 - HB2 GLU 128 - H LYS 123 lone 2 84 - 2 - HB2 LYS 73 - H LYS 123 lone 2 61 - 3 - Peak 1812 from nnoeabs.peaks (1.57, 8.40, 121.61 ppm; 4.35 A): 1 out of 14 assignments used, quality = 0.96: * HG2 LYS 123 + H LYS 123 OK 96 100 - 96 - 5.0=66, 1.8/7107=23...(20) HG2 LYS 44 - H LYS 123 OK 18 97 - 19 - 2.9/1811=3, 2.9/1811=3...(5) HB3 LEU 70 - H LYS 123 OK 10 99 - 10 - 4.5/1966=4, 3.0/1814=2 HG3 LYS 96 - H LYS 123 lone 8 99 - 8 - HG LEU 68 - H LYS 123 lone 7 84 - 8 - 3.0/1815=3, 5.3/414=2 HG2 LYS 115 - H LYS 123 lone 6 81 - 8 - 3.0/1810=1, 3.0/1810=1 HG12 ILE 3 - H LYS 123 lone 4 81 - 5 - ~9015=3 HG LEU 55 - H LYS 123 lone 1 94 - 1 - HG12 ILE 116 - H LYS 123 lone 1 94 - 1 - HD3 LYS 106 - H LYS 123 lone 1 84 - 1 - HD2 LYS 106 - H LYS 123 lone 1 81 - 1 - HD2 LYS 19 - H LYS 123 lone 1 61 - 1 - HD3 LYS 19 - H LYS 123 lone 1 61 - 1 - HB VAL 78 - H LYS 123 lone 1 65 - 1 - Peak 1813 from nnoeabs.peaks (1.70, 8.40, 121.61 ppm; 3.78 A): 4 out of 24 assignments used, quality = 0.93: * HG3 LYS 123 + H LYS 123 OK 90 100 - 90 - 5.0=43, 1.8/7097=20...(22) HD2 LYS 44 + H LYS 123 OK 13 100 - 13 - 2.9/1812=3, 3.7/1811=2...(5) HD3 LYS 44 + H LYS 123 OK 13 99 - 13 - 2.9/1812=3, 3.7/1811=2...(5) HG3 LYS 39 + H LYS 123 OK 11 100 - 11 - 7107=2, 2.9/1810=1...(5) HD3 LYS 39 - H LYS 123 lone 9 98 - 9 - 3.0/7107=2, 3.5/1810=1 HD2 LYS 39 - H LYS 123 lone 9 97 - 9 - 3.0/7107=2, 3.5/1810=1 HG12 ILE 71 - H LYS 123 lone 8 99 - 8 - 4.6/1966=3 HD3 LYS 16 - H LYS 123 lone 5 92 - 5 - HD2 LYS 16 - H LYS 123 lone 4 84 - 5 - HD3 LYS 96 - H LYS 123 lone 4 73 - 5 - 3.0/1812=1 HD2 LYS 96 - H LYS 123 lone 4 65 - 5 - 3.0/1812=1 HD3 LYS 43 - H LYS 123 lone 3 77 - 4 - 2.9/10613=1 HD2 LYS 17 - H LYS 123 lone 2 65 - 3 - HD2 LYS 20 - H LYS 123 lone 2 90 - 2 - HD3 LYS 20 - H LYS 123 lone 2 87 - 2 - HD2 LYS 40 - H LYS 123 lone 2 70 - 2 - HD2 LYS 73 - H LYS 123 lone 2 81 - 2 - HG LEU 74 - H LYS 123 lone 2 99 - 2 - HD3 LYS 73 - H LYS 123 lone 1 77 - 2 - HD3 LYS 40 - H LYS 123 lone 1 65 - 2 - HB3 LYS 106 - H LYS 123 lone 1 73 - 1 - HB2 LYS 106 - H LYS 123 lone 1 65 - 1 - HB ILE 56 - H LYS 123 lone 1 92 - 1 - HB ILE 54 - H LYS 123 lone 0 70 - 1 - Peak 1814 from nnoeabs.peaks (1.84, 8.40, 121.61 ppm; 4.45 A): 2 out of 8 assignments used, quality = 0.95: * HD2 LYS 123 + H LYS 123 OK 92 100 - 92 - 6.2=37, 1.8/1815=28...(13) QE MET 121 + H LYS 123 OK 34 84 - 41 - 6.0/2235=15, 7929/4.6=13...(8) HG LEU 70 - H LYS 123 OK 11 99 - 11 - 3.0/1812=2, 7073/3.0=2...(5) HG LEU 127 - H LYS 123 lone 6 77 - 7 - 7656/4.6=3, 3.0/1810=1 HB3 LYS 77 - H LYS 123 lone 3 100 - 3 - HB2 LYS 77 - H LYS 123 lone 3 100 - 3 - HB2 ARG 105 - H LYS 123 lone 3 81 - 3 - 11470/8296=1 HB3 LYS 19 - H LYS 123 lone 2 94 - 2 - Peak 1815 from nnoeabs.peaks (1.75, 8.40, 121.61 ppm; 4.25 A): 2 out of 12 assignments used, quality = 0.87: * HD3 LYS 123 + H LYS 123 OK 85 100 - 85 - 6.2=32, 1.8/1814=22...(10) HB2 LEU 68 + H LYS 123 OK 12 100 - 12 - 4.0/414=3, 4.6/2106=3...(5) HB3 LYS 49 - H LYS 123 lone 7 97 - 7 - 4118/4.6=1 HG2 LYS 17 - H LYS 123 lone 4 97 - 4 - HB3 LYS 94 - H LYS 123 lone 4 84 - 5 - 3.9/1966=1 HB2 LEU 80 - H LYS 123 lone 3 99 - 3 - HG3 ARG 105 - H LYS 123 lone 2 99 - 2 - HB2 LEU 114 - H LYS 123 lone 2 84 - 3 - HG2 ARG 118 - H LYS 123 lone 2 61 - 3 - HB3 LEU 82 - H LYS 123 lone 1 87 - 1 - HB2 LEU 55 - H LYS 123 lone 1 84 - 1 - HG12 ILE 18 - H LYS 123 lone 1 70 - 1 - Peak 1818 from nnoeabs.peaks (8.60, 8.60, 121.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H ALA 124 + H ALA 124 OK 100 100 - 100 Peak 1819 from nnoeabs.peaks (4.14, 8.60, 121.87 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 124 + H ALA 124 OK 100 100 - 100 - 3.0=100 Peak 1820 from nnoeabs.peaks (1.50, 8.60, 121.87 ppm; 3.03 A): 1 out of 1 assignment used, quality = 1.00: * QB ALA 124 + H ALA 124 OK 100 100 - 100 - 2.9=100 Peak 1821 from nnoeabs.peaks (7.95, 7.95, 104.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLY 125 + H GLY 125 OK 100 100 - 100 Peak 1822 from nnoeabs.peaks (4.05, 7.95, 104.75 ppm; 3.08 A): 2 out of 2 assignments used, quality = 1.00: * HA2 GLY 125 + H GLY 125 OK 100 100 - 100 - 3.0=100 HA3 GLY 125 + H GLY 125 OK 90 90 - 100 - 3.0=100 Peak 1823 from nnoeabs.peaks (4.06, 7.95, 104.75 ppm; 3.08 A): 2 out of 2 assignments used, quality = 1.00: * HA3 GLY 125 + H GLY 125 OK 100 100 - 100 - 3.0=100 HA2 GLY 125 + H GLY 125 OK 90 90 - 100 - 3.0=100 Peak 1824 from nnoeabs.peaks (7.86, 7.86, 116.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H SER 126 + H SER 126 OK 100 100 - 100 Peak 1825 from nnoeabs.peaks (4.45, 7.86, 116.08 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 126 + H SER 126 OK 100 100 - 100 - 3.0=100 Peak 1826 from nnoeabs.peaks (4.02, 7.86, 116.08 ppm; 2.98 A): 3 out of 12 assignments used, quality = 0.88: * HB2 SER 126 + H SER 126 OK 64 100 - 64 - 4.0=41, 1.8/7177=14...(5) HB3 SER 126 + H SER 126 OK 62 97 - 64 - 4.0=41, 1.8/7173=14...(5) HA LYS 123 + H SER 126 OK 11 100 - 11 - 8311=4, 3.6/2250=4, 2.9/10639=2 HA GLU 92 - H SER 126 lone 6 94 - 7 - 8311=3, 3.0/2253=2, ~8331=1 HA GLU 66 - H SER 126 lone 1 100 - 1 - HA PHE 120 - H SER 126 lone 1 100 - 1 - HA LYS 40 - H SER 126 lone 1 100 - 1 - HA GLU 13 - H SER 126 lone 0 100 - 0 - HA GLU 119 - H SER 126 lone 0 99 - 0 - HA GLU 87 - H SER 126 lone 0 87 - 0 - HA3 GLY 101 - H SER 126 lone 0 81 - 0 - HA3 GLY 75 - H SER 126 lone 0 90 - 0 - Peak 1827 from nnoeabs.peaks (4.03, 7.86, 116.08 ppm; 2.98 A): 3 out of 12 assignments used, quality = 0.88: * HB3 SER 126 + H SER 126 OK 64 100 - 64 - 4.0=41, 1.8/7173=14...(5) HB2 SER 126 + H SER 126 OK 62 97 - 64 - 4.0=41, 1.8/7177=14...(5) HA LYS 123 + H SER 126 OK 11 99 - 11 - 8311=4, 3.6/2250=4, 2.9/10639=2 HA GLU 92 - H SER 126 lone 7 100 - 7 - 8311=3, 3.0/2253=2, ~8331=1 HA GLU 66 - H SER 126 lone 1 99 - 1 - HA PHE 120 - H SER 126 lone 1 96 - 1 - HA LYS 40 - H SER 126 lone 1 96 - 1 - HA GLU 119 - H SER 126 lone 0 100 - 0 - HA GLU 13 - H SER 126 lone 0 99 - 0 - HA GLU 87 - H SER 126 lone 0 99 - 0 - HA SER 35 - H SER 126 lone 0 73 - 0 - HA3 GLY 75 - H SER 126 lone 0 65 - 0 - Peak 1828 from nnoeabs.peaks (7.88, 7.88, 122.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H LEU 127 + H LEU 127 OK 100 100 - 100 Peak 1829 from nnoeabs.peaks (4.28, 7.88, 122.37 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 127 + H LEU 127 OK 100 100 - 100 - 2.9=100 Peak 1830 from nnoeabs.peaks (1.93, 7.88, 122.37 ppm; 3.28 A): 1 out of 20 assignments used, quality = 0.84: * HB2 LEU 127 + H LEU 127 OK 84 100 - 84 - 4.0=54, 1.8/7195=24...(8) HB2 LEU 70 - H LEU 127 lone 4 94 - 5 - 7188=1, 3.0/1832=1, 3.0/2257=1 HB2 LYS 123 - H LEU 127 lone 4 100 - 4 - 2.9/802=1, 8319/8318=1 HB3 LYS 123 - H LEU 127 lone 2 61 - 3 - 2.9/802=1 HB3 LYS 40 - H LEU 127 lone 2 87 - 2 - HB ILE 15 - H LEU 127 lone 1 65 - 1 - HB2 LYS 65 - H LEU 127 lone 1 100 - 1 - HB3 LYS 65 - H LEU 127 lone 1 100 - 1 - HB3 LYS 115 - H LEU 127 lone 1 100 - 1 - HB2 LYS 115 - H LEU 127 lone 1 99 - 1 - HB2 LYS 39 - H LEU 127 lone 1 100 - 1 - HB3 MET 42 - H LEU 127 lone 1 70 - 1 - HB3 GLU 41 - H LEU 127 lone 0 73 - 1 - HB VAL 104 - H LEU 127 lone 0 84 - 0 - HB2 GLU 41 - H LEU 127 lone 0 70 - 1 - HG2 MET 121 - H LEU 127 lone 0 73 - 1 - HB3 LYS 39 - H LEU 127 lone 0 77 - 0 - HB3 LYS 17 - H LEU 127 lone 0 90 - 0 - HB2 LEU 81 - H LEU 127 lone 0 81 - 0 - HB3 GLU 52 - H LEU 127 lone 0 61 - 0 - Peak 1831 from nnoeabs.peaks (1.61, 7.88, 122.37 ppm; 3.71 A): 1 out of 14 assignments used, quality = 0.95: * HB3 LEU 127 + H LEU 127 OK 95 100 - 95 - 4.0=78, 1.8/1830=34...(8) HD3 LYS 77 - H LEU 127 lone 8 92 - 9 - 11286/4.2=5, 807/4.6=1 HD2 LYS 77 - H LEU 127 lone 8 90 - 9 - 11286/4.2=5, 807/4.6=1 HG LEU 63 - H LEU 127 lone 3 97 - 3 - 3.7/2257=1 HG2 LYS 16 - H LEU 127 lone 3 81 - 4 - 11424/4.5=1, 11424/4.5=1 HG3 LYS 40 - H LEU 127 lone 2 97 - 2 - HG2 LYS 73 - H LEU 127 lone 1 73 - 1 - HB2 LEU 82 - H LEU 127 lone 1 96 - 1 - HB3 LEU 64 - H LEU 127 lone 1 73 - 1 - HB ILE 116 - H LEU 127 lone 1 70 - 1 - HG LEU 82 - H LEU 127 lone 0 77 - 1 - HG3 LYS 19 - H LEU 127 lone 0 70 - 0 - HD3 LYS 19 - H LEU 127 lone 0 61 - 0 - HD2 LYS 19 - H LEU 127 lone 0 61 - 0 - Peak 1832 from nnoeabs.peaks (1.86, 7.88, 122.37 ppm; 3.40 A): 1 out of 10 assignments used, quality = 0.79: * HG LEU 127 + H LEU 127 OK 79 100 - 79 - 5.0=31, 2.1/1834=24...(7) HG LEU 70 - H LEU 127 lone 5 92 - 5 - 7202=2, 3.0/1830=1, 3.6/2257=1 HB2 LYS 77 - H LEU 127 lone 4 77 - 5 - 3.6/1831=1, 3.6/1831=1 HB3 LYS 77 - H LEU 127 lone 3 70 - 5 - 3.6/1831=1, 3.6/1831=1 HB2 LEU 63 - H LEU 127 lone 2 84 - 3 - 3.0/2257=1 HD2 LYS 123 - H LEU 127 lone 2 77 - 3 - HG2 ARG 95 - H LEU 127 lone 2 65 - 3 - 4.1/2257=2 QE MET 42 - H LEU 127 lone 2 96 - 2 - HB2 ARG 105 - H LEU 127 lone 0 100 - 0 - HB3 ARG 118 - H LEU 127 lone 0 84 - 0 - Peak 1833 from nnoeabs.peaks (0.93, 7.88, 122.37 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 127 + H LEU 127 OK 100 100 - 100 - 4.2=100 Peak 1834 from nnoeabs.peaks (1.01, 7.88, 122.37 ppm; 4.07 A): 1 out of 4 assignments used, quality = 0.99: * QD1 LEU 127 + H LEU 127 OK 99 100 - 99 - 4.2=94, 2.1/7202=34...(8) HG12 ILE 97 - H LEU 127 lone 1 94 - 1 - HG13 ILE 71 - H LEU 127 lone 1 92 - 1 - HG2 LYS 61 - H LEU 127 lone 0 70 - 1 - Peak 1835 from nnoeabs.peaks (8.08, 8.08, 119.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H GLU 128 + H GLU 128 OK 100 100 - 100 Peak 1836 from nnoeabs.peaks (3.91, 8.08, 119.78 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 128 + H GLU 128 OK 100 100 - 100 - 2.9=100 Peak 1837 from nnoeabs.peaks (1.90, 8.08, 119.78 ppm; 3.02 A): 1 out of 20 assignments used, quality = 0.69: * HB2 GLU 128 + H GLU 128 OK 69 100 - 69 - 4.0=42, 1.8/1838=24...(8) HB2 ARG 95 - H GLU 128 lone 9 99 - 9 - 3.0/2264=2, 7229=2...(4) HB2 LYS 96 - H GLU 128 lone 4 100 - 4 - 3.0/2263=2 HB3 LYS 123 - H GLU 128 lone 2 84 - 2 - HB2 LEU 45 - H GLU 128 lone 2 100 - 2 - HB3 LYS 44 - H GLU 128 lone 1 99 - 1 - HB2 LYS 44 - H GLU 128 lone 1 92 - 1 - HB ILE 71 - H GLU 128 lone 1 99 - 1 - HB2 LYS 73 - H GLU 128 lone 1 98 - 1 - HB3 LYS 73 - H GLU 128 lone 1 97 - 1 - HG LEU 45 - H GLU 128 lone 1 61 - 1 - HB3 LYS 43 - H GLU 128 lone 1 100 - 1 - HB2 LYS 43 - H GLU 128 lone 1 98 - 1 - HB ILE 15 - H GLU 128 lone 1 81 - 1 - HG2 MET 121 - H GLU 128 lone 1 73 - 1 - HB2 LYS 20 - H GLU 128 lone 0 90 - 0 - HB3 LYS 20 - H GLU 128 lone 0 90 - 0 - HB2 LYS 49 - H GLU 128 lone 0 100 - 0 - HB ILE 7 - H GLU 128 lone 0 94 - 0 - HB2 LEU 81 - H GLU 128 lone 0 65 - 0 - Peak 1838 from nnoeabs.peaks (1.95, 8.08, 119.78 ppm; 3.23 A): 1 out of 13 assignments used, quality = 0.76: * HB3 GLU 128 + H GLU 128 OK 76 100 - 76 - 4.0=51, 1.8/1837=27...(8) HB3 ARG 95 - H GLU 128 lone 6 73 - 9 - 1.8/1837=4, 3.0/2264=3 HB3 LYS 96 - H GLU 128 lone 3 70 - 4 - 3.0/2263=2, 1.8/1837=2 HB2 GLU 41 - H GLU 128 lone 3 99 - 3 - HB3 GLU 41 - H GLU 128 lone 3 99 - 3 - HB2 LEU 70 - H GLU 128 lone 2 87 - 2 - HB3 LYS 40 - H GLU 128 lone 1 94 - 1 - HB3 MET 42 - H GLU 128 lone 1 99 - 1 - HB VAL 104 - H GLU 128 lone 1 96 - 1 - HB3 LYS 39 - H GLU 128 lone 1 98 - 1 - HB VAL 29 - H GLU 128 lone 0 100 - 0 - HB3 GLU 52 - H GLU 128 lone 0 100 - 0 - HB3 GLU 21 - H GLU 128 lone 0 61 - 0 - Peak 1839 from nnoeabs.peaks (2.01, 8.08, 119.78 ppm; 3.40 A): 2 out of 5 assignments used, quality = 0.94: HG3 GLU 128 + H GLU 128 OK 75 100 - 75 - 5.0=32, 3.0/1838=22...(9) * HG2 GLU 128 + H GLU 128 OK 75 100 - 75 - 5.0=32, 3.0/1838=22...(9) HB2 MET 1 - H GLU 128 lone 1 73 - 2 - HB2 GLN 25 - H GLU 128 lone 1 97 - 1 - HB3 GLU 111 - H GLU 128 lone 1 94 - 1 - Peak 1840 from nnoeabs.peaks (2.01, 8.08, 119.78 ppm; 3.40 A): 2 out of 5 assignments used, quality = 0.94: * HG3 GLU 128 + H GLU 128 OK 75 100 - 75 - 5.0=32, 3.0/1838=22...(9) HG2 GLU 128 + H GLU 128 OK 75 100 - 75 - 5.0=32, 3.0/1838=22...(9) HB2 MET 1 - H GLU 128 lone 1 73 - 2 - HB2 GLN 25 - H GLU 128 lone 1 97 - 1 - HB3 GLU 111 - H GLU 128 lone 1 94 - 1 - Peak 1847 from nnoeabs.peaks (8.06, 8.06, 125.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H HIS 131 + H HIS 131 OK 100 100 - 100 Peak 1855 from nnoeabs.peaks (8.93, 9.23, 129.32 ppm; 5.72 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 7 + H LEU 6 OK 100 100 - 100 - 4.7=100 Peak 1857 from nnoeabs.peaks (8.04, 8.63, 125.54 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H THR 9 + H ASN 8 OK 100 100 - 100 - 4.6=100 Peak 1858 from nnoeabs.peaks (8.44, 8.04, 118.49 ppm; 4.29 A): 2 out of 10 assignments used, quality = 0.98: * H ASN 10 + H THR 9 OK 94 100 - 94 - 4.6=79, 43/3.0=40...(8) H GLN 83 + H THR 9 OK 66 100 - 66 - 10691/3.0=26...(6) H GLN 62 - H LYS 65 OK 34 74 - 46 - 2.9/8103=23, 2082/4.6=10...(6) H GLN 83 - H LYS 65 OK 11 78 - 14 - 522/4.7=3, 2082/4.6=2...(5) H GLN 62 - H THR 9 lone 9 98 - 9 - 2.9/8103=3, 4.6/2080=2 H VAL 32 - H LYS 65 lone 7 79 - 9 - 2082/4.6=4, 4.0/1065=2 H VAL 32 - H THR 9 lone 6 100 - 6 - 9578/9579=1, 9090/4.6=1 H ILE 3 - H THR 9 lone 2 99 - 2 - H ASN 10 - H LYS 65 lone 2 79 - 2 - H ILE 3 - H LYS 65 lone 1 77 - 1 - Peak 1859 from nnoeabs.peaks (8.37, 8.44, 123.27 ppm; 3.37 A): 1 out of 3 assignments used, quality = 0.65: * H ASN 11 + H ASN 10 OK 65 100 - 66 - 46=43, 9126/4.0=14...(6) H ASP 31 - H ASN 10 lone 3 90 - 4 - 3.0/7442=1 H PHE 79 - H ASN 10 lone 1 96 - 1 - Peak 1860 from nnoeabs.peaks (8.59, 8.37, 120.92 ppm; 4.67 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 12 + H ASN 11 OK 100 100 - 100 - 4.6=100 Peak 1861 from nnoeabs.peaks (8.29, 8.59, 126.31 ppm; 3.40 A): 1 out of 2 assignments used, quality = 0.58: * H GLU 13 + H ASP 12 OK 58 100 - 58 - 4.5=43, 61/4.0=10...(5) H LYS 77 - H ASP 12 lone 1 100 - 1 - Peak 1862 from nnoeabs.peaks (7.58, 8.29, 119.33 ppm; 3.26 A): 2 out of 3 assignments used, quality = 0.80: * H LEU 14 + H GLU 13 OK 76 100 - 76 - 62=46, 4.4/1085=15...(11) H LYS 17 + H GLU 13 OK 17 98 - 17 - 1989/3.0=6, 7350/4.0=3...(6) HE21 GLN 25 - H GLU 13 lone 2 81 - 2 - Peak 1863 from nnoeabs.peaks (8.24, 7.58, 121.68 ppm; 3.30 A): 1 out of 3 assignments used, quality = 0.68: * H ILE 15 + H LEU 14 OK 68 100 - 68 - 4.6=37, 71/4.0=12...(12) H GLU 112 - H LEU 14 lone 10 99 - 10 - 7357/4.3=4, 7358/4.3=3 H GLU 89 - H LEU 14 lone 1 70 - 2 - Peak 1864 from nnoeabs.peaks (7.60, 8.24, 119.48 ppm; 3.34 A): 3 out of 7 assignments used, quality = 0.75: * H LYS 16 + H ILE 15 OK 64 100 - 64 - 4.6=38, 4.5/1097=11...(10) H LEU 74 + H ILE 15 OK 23 99 - 24 - 75=9, 7360/3.8=4...(7) H LYS 115 + H ILE 15 OK 10 84 - 12 - 4.6/2190=3, 4.3/1099=2, 4.3/72=1 H ASP 34 - H ILE 15 lone 3 87 - 3 - HE ARG 105 - H ILE 15 lone 1 99 - 1 - H GLN 100 - H ILE 15 lone 1 61 - 1 - HE21 GLN 85 - H ILE 15 lone 0 57 - 1 - Peak 1865 from nnoeabs.peaks (7.58, 7.60, 117.60 ppm; 2.40 A): 3 out of 6 assignments used, quality = 0.59: * H LYS 17 + H LYS 16 OK 45 100 - 46 - 82=33, 7368/5.0=3...(9) H LEU 14 + H LYS 16 OK 17 98 - 17 - 1863/4.6=6, 7369/5.0=2...(6) H LYS 17 + H LEU 74 OK 10 97 - 11 - 82=8 H LEU 14 - H LEU 74 lone 3 94 - 4 - 4.6/1864=2 HE ARG 105 - H LYS 16 lone 0 73 - 0 - HE ARG 105 - H LEU 74 lone 0 68 - 0 - Peak 1866 from nnoeabs.peaks (8.79, 7.58, 118.83 ppm; 3.53 A): 1 out of 6 assignments used, quality = 0.68: * H ILE 18 + H LYS 17 OK 68 100 - 68 - 4.6=44, 4.6/1114=13...(8) H MET 42 - H LYS 17 poor 10 98 - 10 - 2050/3.6=4, 1985/4.6=2 H ILE 5 - H LYS 17 lone 2 57 - 3 - H ASN 59 - H LYS 17 lone 1 94 - 2 - H VAL 29 - H LYS 17 lone 1 94 - 2 - H ILE 54 - H LYS 17 lone 1 61 - 1 - Peak 1867 from nnoeabs.peaks (8.53, 8.79, 120.96 ppm; 3.62 A): 2 out of 3 assignments used, quality = 0.77: * H LYS 19 + H ILE 18 OK 73 100 - 73 - 4.6=48, 7384/3.9=15...(9) H ILE 57 + H ILE 18 OK 16 94 - 17 - 7384/3.9=3, 4.0/1124=2...(9) H ASN 88 - H ILE 18 lone 2 99 - 2 - Peak 1868 from nnoeabs.peaks (7.30, 8.53, 118.32 ppm; 3.74 A): 1 out of 2 assignments used, quality = 0.85: * H LYS 20 + H LYS 19 OK 85 100 - 85 - 4.5=57, 111/4.0=20...(11) HE21 GLN 100 - H LYS 19 lone 1 70 - 1 - Peak 1869 from nnoeabs.peaks (7.67, 7.30, 116.28 ppm; 3.22 A): 1 out of 3 assignments used, quality = 0.66: * H GLU 21 + H LYS 20 OK 66 100 - 66 - 119=33, 120/3.0=19...(10) H LEU 63 - H LYS 20 lone 7 98 - 7 - 377/3.0=1, 7401/4.9=1 HE ARG 118 - H LYS 20 lone 5 100 - 5 - Peak 1873 from nnoeabs.peaks (8.78, 8.34, 120.36 ppm; 5.30 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 29 + H GLN 28 OK 100 100 - 100 - 4.6=100 Peak 1874 from nnoeabs.peaks (9.13, 8.78, 123.48 ppm; 5.14 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 30 + H VAL 29 OK 100 100 - 100 - 4.6=100 Peak 1875 from nnoeabs.peaks (8.38, 9.13, 127.79 ppm; 5.54 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 31 + H ARG 30 OK 100 100 - 100 - 4.6=100 Peak 1877 from nnoeabs.peaks (9.55, 8.44, 120.43 ppm; 4.97 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 33 + H VAL 32 OK 100 100 - 100 - 4.7=100 Peak 1878 from nnoeabs.peaks (7.62, 9.55, 122.70 ppm; 3.08 A): 1 out of 10 assignments used, quality = 0.74: * H ASP 34 + H ASN 33 OK 74 100 - 74 - 187=50, 9322/3.6=15...(10) H LEU 64 - H ASN 33 lone 8 92 - 9 - 9278/4.4=3, 1417/4.4=2...(5) H GLU 69 - H ASN 33 lone 3 90 - 3 - H LEU 74 - H ASN 33 lone 2 97 - 2 - H LYS 115 - H ASN 33 lone 2 100 - 2 - H LYS 16 - H ASN 33 lone 2 87 - 2 - H GLN 100 - H ASN 33 lone 2 97 - 2 - HE21 GLN 85 - H ASN 33 lone 1 96 - 1 - HD21 ASN 50 - H ASN 33 lone 1 70 - 1 - HE ARG 105 - H ASN 33 lone 0 70 - 0 - Peak 1879 from nnoeabs.peaks (8.87, 7.62, 114.89 ppm; 5.97 A): 1 out of 1 assignment used, quality = 1.00: * H SER 35 + H ASP 34 OK 100 100 - 100 - 4.5=100 Peak 1880 from nnoeabs.peaks (8.39, 8.87, 114.38 ppm; 3.72 A): 2 out of 5 assignments used, quality = 0.83: * H ASP 36 + H SER 35 OK 81 100 - 81 - 4.6=51, 4.4/1221=19...(8) H MET 67 + H SER 35 OK 10 98 - 10 - 9329/4.5=2, 2097/4.0=2...(4) H PHE 79 - H SER 35 lone 3 81 - 4 - 4.1/9334=2 H LYS 123 - H SER 35 lone 1 87 - 1 - H ASP 31 - H SER 35 lone 1 90 - 1 - Peak 1881 from nnoeabs.peaks (9.01, 8.39, 124.69 ppm; 3.09 A): 1 out of 1 assignment used, quality = 0.69: * H GLU 37 + H ASP 36 OK 69 100 - 69 - 201=40, 203/4.0=14...(9) Peak 1882 from nnoeabs.peaks (8.20, 9.01, 122.45 ppm; 3.44 A): 2 out of 4 assignments used, quality = 0.78: * H LEU 38 + H GLU 37 OK 75 100 - 75 - 205=46, 4.7/1229=13...(12) H GLU 111 + H GLU 37 OK 11 92 - 11 - 7463/3.8=2, 7465/4.9=2...(5) H ASP 84 - H GLU 37 lone 9 100 - 9 - 8034/3.6=2, 2025/4.5=2 H GLU 89 - H GLU 37 lone 4 65 - 7 - Peak 1883 from nnoeabs.peaks (7.83, 8.20, 119.58 ppm; 3.59 A): 2 out of 5 assignments used, quality = 0.86: * H LYS 39 + H LEU 38 OK 80 100 - 80 - 4.5=50, 213/3.8=14...(16) H ILE 97 + H LEU 38 OK 30 100 - 31 - 211=10, 7470/4.4=4...(8) H VAL 78 - H LEU 38 lone 9 100 - 9 - 2028/4.6=2, 7470/4.4=1 H TYR 27 - H LEU 38 lone 3 73 - 4 - 11346/3.6=2 HE21 GLN 62 - H LEU 38 lone 2 65 - 2 - Peak 1884 from nnoeabs.peaks (7.78, 7.83, 118.40 ppm; 2.68 A): 4 out of 4 assignments used, quality = 0.86: * H LYS 40 + H LYS 39 OK 52 100 - 52 - 218=29, 7474/4.0=5...(10) H LYS 96 + H ILE 97 OK 37 86 - 43 - 4.5=21, 2.9/7795=8...(7) H LYS 40 + H ILE 97 OK 33 92 - 36 - 218=19, 2040/3.6=7...(9) H LYS 96 + H LYS 39 OK 31 97 - 32 - 1939=13, 4.1/7797=4...(11) Peak 1885 from nnoeabs.peaks (8.72, 7.78, 119.27 ppm; 3.36 A): 1 out of 3 assignments used, quality = 0.70: * H GLU 41 + H LYS 40 OK 70 100 - 70 - 4.6=38, 230/4.0=16...(15) H ARG 105 - H LYS 40 lone 3 73 - 4 - 4.2/9392=1 H ASN 50 - H LYS 40 lone 2 100 - 2 - Peak 1886 from nnoeabs.peaks (8.78, 8.72, 119.65 ppm; 3.50 A): 1 out of 5 assignments used, quality = 0.70: * H MET 42 + H GLU 41 OK 70 100 - 70 - 4.6=43, 4.7/2047=10...(12) H ILE 18 - H GLU 41 lone 8 98 - 8 - 8062/3.6=3, 94/4.6=2 H VAL 29 - H GLU 41 lone 5 100 - 5 - H ILE 5 - H GLU 41 lone 1 81 - 1 - H ASN 59 - H GLU 41 lone 1 77 - 1 - Peak 1887 from nnoeabs.peaks (7.50, 8.78, 118.11 ppm; 3.43 A): 1 out of 1 assignment used, quality = 0.75: * H LYS 43 + H MET 42 OK 75 100 - 75 - 244=43, 246/3.9=15...(13) Peak 1888 from nnoeabs.peaks (7.45, 7.50, 120.74 ppm; 2.84 A): 1 out of 1 assignment used, quality = 0.64: * H LYS 44 + H LYS 43 OK 64 100 - 64 - 251=39, 252/3.0=17...(11) Peak 1889 from nnoeabs.peaks (8.16, 7.45, 118.27 ppm; 3.30 A): 2 out of 2 assignments used, quality = 0.73: * H LEU 45 + H LYS 44 OK 69 100 - 69 - 261=48, 11317/4.6=8...(15) H ARG 95 + H LYS 44 OK 13 100 - 13 - 2057/4.6=3, 8197/3.6=1 Peak 1890 from nnoeabs.peaks (7.64, 8.16, 117.78 ppm; 3.35 A): 2 out of 8 assignments used, quality = 0.77: * H ALA 46 + H LEU 45 OK 74 100 - 74 - 4.6=39, 4.3/1295=12...(13) H GLU 69 + H LEU 45 OK 13 92 - 14 - 271=5, 2062/4.6=2...(5) H LEU 64 - H LEU 45 lone 7 90 - 8 - 4.8/1297=1, 4.6/266=1...(4) H GLN 100 - H LEU 45 lone 2 81 - 2 - 3.6/8205=1 HD21 ASN 50 - H LEU 45 lone 1 99 - 1 - HD21 ASN 10 - H LEU 45 lone 1 99 - 1 - HE21 GLN 85 - H LEU 45 lone 1 84 - 1 - H LYS 115 - H LEU 45 lone 1 57 - 1 - Peak 1891 from nnoeabs.peaks (7.71, 7.64, 118.54 ppm; 2.96 A): 4 out of 6 assignments used, quality = 0.75: * H GLU 47 + H ALA 46 OK 47 100 - 47 - 4.6=26, 280/2.9=19...(5) H LEU 70 + H GLU 69 OK 35 70 - 50 - 4.6=26, 431/4.0=8...(8) H GLU 47 + H GLU 69 OK 17 72 - 23 - 278=10, 2074/2.9=4...(7) H LYS 73 + H GLU 69 OK 11 61 - 19 - 2127/2.9=5, 7649/4.0=2...(9) H LYS 73 - H ALA 46 lone 7 92 - 8 - 2126/3.6=2, 1481/4.3=1 H LEU 70 - H ALA 46 lone 7 99 - 7 - 428=3, 7526/2.9=1 Peak 1892 from nnoeabs.peaks (7.75, 7.71, 115.49 ppm; 2.61 A): 1 out of 2 assignments used, quality = 0.56: * H GLU 48 + H GLU 47 OK 56 100 - 56 - 281=47, 7529/4.0=8...(5) H LEU 114 - H GLU 47 lone 2 99 - 2 - Peak 1894 from nnoeabs.peaks (8.72, 8.61, 124.42 ppm; 6.16 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 50 + H LYS 49 OK 100 100 - 100 - 4.6=100 Peak 1895 from nnoeabs.peaks (8.34, 8.72, 117.99 ppm; 5.41 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 51 + H ASN 50 OK 100 100 - 100 - 4.6=100 Peak 1896 from nnoeabs.peaks (8.80, 7.96, 119.96 ppm; 5.02 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 54 + H LYS 53 OK 100 100 - 100 - 4.6=100 Peak 1897 from nnoeabs.peaks (9.10, 8.80, 124.73 ppm; 5.33 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 55 + H ILE 54 OK 100 100 - 100 - 4.4=100 Peak 1898 from nnoeabs.peaks (9.18, 9.10, 130.09 ppm; 4.43 A): 1 out of 1 assignment used, quality = 0.99: * H ILE 56 + H LEU 55 OK 99 100 - 99 - 4.5=94, 332/3.0=43...(11) Peak 1899 from nnoeabs.peaks (8.54, 9.18, 125.98 ppm; 4.93 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 57 + H ILE 56 OK 100 100 - 100 - 4.6=100 Peak 1900 from nnoeabs.peaks (8.81, 8.54, 127.24 ppm; 5.35 A): 1 out of 1 assignment used, quality = 1.00: * H SER 58 + H ILE 57 OK 100 100 - 100 - 4.7=100 Peak 1902 from nnoeabs.peaks (7.86, 8.79, 122.38 ppm; 3.33 A): 1 out of 4 assignments used, quality = 0.71: * H ASP 60 + H ASN 59 OK 71 100 - 71 - 4.6=37, 9629/3.6=16...(9) H SER 126 - H ASN 59 lone 1 99 - 1 - HE21 GLN 62 - H ASN 59 lone 1 92 - 1 - H TYR 27 - H ASN 59 lone 0 87 - 1 - Peak 1903 from nnoeabs.peaks (8.90, 7.86, 119.74 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 61 + H ASP 60 OK 100 100 - 100 - 4.6=100 Peak 1904 from nnoeabs.peaks (8.43, 8.90, 125.82 ppm; 3.80 A): 1 out of 5 assignments used, quality = 0.76: * H GLN 62 + H LYS 61 OK 76 100 - 76 - 4.6=57, 368/3.7=17...(6) H GLN 83 - H LYS 61 lone 1 100 - 1 - H ILE 3 - H LYS 61 lone 1 92 - 1 - H ASN 10 - H LYS 61 lone 1 98 - 1 - H VAL 32 - H LYS 61 lone 1 97 - 1 - Peak 1905 from nnoeabs.peaks (7.67, 8.43, 118.92 ppm; 2.99 A): 1 out of 3 assignments used, quality = 0.67: * H LEU 63 + H GLN 62 OK 67 100 - 67 - 376=35, 377/2.9=18...(14) H GLU 21 - H GLN 62 lone 6 98 - 6 - 8095/3.6=1 HE ARG 118 - H GLN 62 lone 4 99 - 4 - 8095/3.6=1 Peak 1906 from nnoeabs.peaks (7.63, 7.67, 120.07 ppm; 3.29 A): 3 out of 10 assignments used, quality = 0.76: * H LEU 64 + H LEU 63 OK 70 100 - 70 - 384=38, 2081/3.6=12...(11) H ASP 34 + H LEU 63 OK 11 92 - 12 - 9320/4.7=5, 7614/4.7=3 HE21 GLN 85 + H LEU 63 OK 11 100 - 11 - 8102/3.6=2, 3.5/7609=2...(4) HD21 ASN 50 - H LEU 63 lone 8 97 - 8 - 3.5/9673=2, ~11047=2...(4) H GLU 69 - H LEU 63 lone 6 100 - 6 - 7614/4.7=2, 7612/4.0=1 H LYS 115 - H LEU 63 lone 4 94 - 5 - 3.6/2078=1, 8102/3.6=1 H ALA 46 - H LEU 63 lone 3 90 - 4 - H GLN 100 - H LEU 63 lone 1 100 - 1 - HD21 ASN 10 - H LEU 63 lone 1 77 - 1 - H LEU 74 - H LEU 63 lone 1 70 - 1 - Peak 1907 from nnoeabs.peaks (8.04, 7.63, 117.70 ppm; 3.88 A): 3 out of 9 assignments used, quality = 0.92: * H LYS 65 + H LEU 64 OK 88 100 - 88 - 4.6=61, 4.2/1417=15...(17) H ARG 118 + H LEU 64 OK 21 87 - 24 - 391=3, 4.3/389=2...(10) H THR 9 + H LEU 64 OK 14 98 - 15 - 391=2, 396/4.7=2...(6) H LEU 90 - H LEU 64 poor 9 94 - 10 - 8109/3.6=2, 1592/3.6=2 H SER 72 - H LEU 64 lone 7 77 - 9 - 3.6/2083=2, 4.1/1420=1, 9802=1 H VAL 22 - H LEU 64 lone 6 100 - 6 - 4.6/384=3, 2080/4.6=1 H ASP 109 - H LEU 64 lone 4 100 - 4 - H GLN 122 - H LEU 64 lone 2 73 - 3 - H GLY 26 - H LEU 64 lone 1 65 - 1 - Peak 1908 from nnoeabs.peaks (7.80, 8.04, 118.31 ppm; 3.48 A): 1 out of 6 assignments used, quality = 0.74: * H GLU 66 + H LYS 65 OK 74 100 - 74 - 4.6=42, 2084/4.6=12...(12) H GLU 66 - H ARG 118 poor 7 68 - 10 - 398=3 H GLU 66 - H THR 9 lone 5 79 - 6 - 398=2 H LYS 96 - H LYS 65 lone 2 70 - 3 - H LYS 96 - H ARG 118 lone 0 40 - 1 - H LYS 96 - H THR 9 lone 0 48 - 1 - Peak 1909 from nnoeabs.peaks (8.39, 7.80, 119.36 ppm; 3.60 A): 2 out of 5 assignments used, quality = 0.85: * H MET 67 + H GLU 66 OK 81 100 - 81 - 408=47, 411/3.7=15...(15) H LYS 123 + H GLU 66 OK 21 98 - 21 - 2089/4.6=3, 3.6/2092=3...(10) H ASP 36 - H GLU 66 lone 6 98 - 6 - H PHE 79 - H GLU 66 lone 1 57 - 3 - H ASP 31 - H GLU 66 lone 1 70 - 2 - Peak 1910 from nnoeabs.peaks (8.47, 8.39, 118.40 ppm; 3.43 A): 1 out of 1 assignment used, quality = 0.75: * H LEU 68 + H MET 67 OK 75 100 - 75 - 4.6=42, 2094/4.7=10...(15) Peak 1911 from nnoeabs.peaks (7.63, 8.47, 118.27 ppm; 3.52 A): 5 out of 10 assignments used, quality = 0.91: * H GLU 69 + H LEU 68 OK 81 100 - 81 - 421=45, 4.6/4962=15...(14) H LEU 64 + H LEU 68 OK 31 100 - 31 - 2.9/8122=6, 2084/2094=5...(11) H GLN 100 + H LEU 68 OK 15 99 - 15 - 11179/3.6=8, 4.0/416=1...(4) H ALA 46 + H LEU 68 OK 14 92 - 15 - 421=5, 4.6/2104=2...(4) H LYS 115 + H LEU 68 OK 12 92 - 13 - 7644/4.0=3, 8129/8124=2...(7) HE21 GLN 85 - H LEU 68 lone 6 100 - 6 - H LEU 74 - H LEU 68 lone 3 65 - 5 - 4.6/2104=2 H ASP 34 - H LEU 68 lone 3 90 - 4 - HD21 ASN 50 - H LEU 68 lone 1 98 - 1 - HD21 ASN 10 - H LEU 68 lone 1 81 - 1 - Peak 1912 from nnoeabs.peaks (7.72, 7.63, 118.68 ppm; 3.16 A): 4 out of 6 assignments used, quality = 0.86: * H LEU 70 + H GLU 69 OK 59 100 - 59 - 4.6=32, 431/4.0=9...(10) H GLU 47 + H ALA 46 OK 38 70 - 54 - 4.6=32, 280/2.9=21...(5) H GLU 47 + H GLU 69 OK 25 99 - 26 - 278=10, 2074/2.9=5...(8) H LYS 73 + H GLU 69 OK 25 98 - 25 - 2127/2.9=7, 1916=4...(10) H LYS 73 - H ALA 46 lone 7 68 - 10 - 2126/3.6=3, 1481/4.3=1 H LEU 70 - H ALA 46 lone 7 72 - 9 - 428=4, 7526/2.9=2 Peak 1913 from nnoeabs.peaks (8.60, 7.72, 119.50 ppm; 3.55 A): 2 out of 8 assignments used, quality = 0.79: * H ILE 71 + H LEU 70 OK 76 100 - 76 - 4.6=45, 4.5/1461=13...(12) H LYS 94 + H LEU 70 OK 13 96 - 14 - 7657/4.8=3, 10098/3.8=2...(5) H ALA 124 - H LEU 70 poor 10 100 - 10 - 2109/4.6=2, 4.7/1461=1...(5) H LEU 80 - H LEU 70 lone 3 100 - 3 - H LYS 49 - H LEU 70 lone 2 94 - 2 - H THR 108 - H LEU 70 lone 2 98 - 2 - H ASP 12 - H LEU 70 lone 1 87 - 1 - H GLN 85 - H LEU 70 lone 1 61 - 1 - Peak 1914 from nnoeabs.peaks (8.02, 8.60, 116.79 ppm; 3.81 A): 2 out of 7 assignments used, quality = 0.82: * H SER 72 + H ILE 71 OK 79 100 - 79 - 4.7=55, 4.1/5083=13...(9) H LYS 65 + H ILE 71 OK 14 77 - 19 - 3.0/2117=5, 2114/4.6=3...(9) H ARG 118 - H ILE 71 lone 3 100 - 3 - H ASP 109 - H ILE 71 lone 3 84 - 3 - H VAL 22 - H ILE 71 lone 2 81 - 3 - H ILE 116 - H ILE 71 lone 2 61 - 3 - H GLY 26 - H ILE 71 lone 1 100 - 1 - Peak 1915 from nnoeabs.peaks (7.72, 8.02, 116.52 ppm; 3.78 A): 3 out of 3 assignments used, quality = 0.89: * H LYS 73 + H SER 72 OK 78 100 - 78 - 4.6=55, 2124/3.6=13...(11) H LEU 70 + H SER 72 OK 45 98 - 46 - 4.6/1914=14, 2114=13...(8) H GLU 47 + H SER 72 OK 10 92 - 11 - 9795/4.1=3, 434/4.7=2...(5) Peak 1916 from nnoeabs.peaks (7.61, 7.72, 120.73 ppm; 3.49 A): 3 out of 9 assignments used, quality = 0.75: * H LEU 74 + H LYS 73 OK 61 100 - 61 - 4.6=43, 7671/4.9=5...(10) H LYS 16 + H LYS 73 OK 21 99 - 22 - 452=10, 7671/4.9=3...(6) H GLU 69 + H LYS 73 OK 21 65 - 32 - 2.9/2127=9, 1912=4...(11) H LYS 115 - H LYS 73 lone 4 96 - 4 - 9802/4.6=1 H LEU 64 - H LYS 73 lone 3 70 - 4 - H GLN 100 - H LYS 73 lone 2 81 - 2 - H ASP 34 - H LYS 73 lone 2 97 - 2 - HE ARG 105 - H LYS 73 lone 1 92 - 1 - HE21 GLN 85 - H LYS 73 lone 1 77 - 1 - Peak 1917 from nnoeabs.peaks (7.92, 7.61, 117.57 ppm; 3.48 A): 2 out of 8 assignments used, quality = 0.69: * H GLY 75 + H LEU 74 OK 62 100 - 62 - 4.6=42, 4.8/5248=9...(7) H GLY 75 + H LYS 16 OK 20 97 - 21 - 462=11, 4.8/5241=3...(6) H GLU 119 - H LYS 16 lone 3 92 - 4 - 3.0/1983=1 H GLU 119 - H LEU 74 lone 1 97 - 1 - H GLU 91 - H LYS 16 lone 1 71 - 1 - HD21 ASN 33 - H LEU 74 lone 1 84 - 1 - H GLU 91 - H LEU 74 lone 0 77 - 1 - HD21 ASN 33 - H LYS 16 lone 0 78 - 1 - Peak 1918 from nnoeabs.peaks (7.37, 7.92, 105.99 ppm; 3.62 A): 1 out of 2 assignments used, quality = 0.65: * H TYR 76 + H GLY 75 OK 65 100 - 65 - 469=49, 9832/4.6=12...(5) HD21 ASN 8 - H GLY 75 lone 4 100 - 4 - 9822/3.6=1, 9106/4.8=1 Peak 1919 from nnoeabs.peaks (8.29, 7.37, 118.45 ppm; 5.56 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 77 + H TYR 76 OK 100 100 - 100 - 4.6=100 Peak 1920 from nnoeabs.peaks (7.83, 8.29, 122.87 ppm; 5.95 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 78 + H LYS 77 OK 100 100 - 100 - 4.7=100 Peak 1921 from nnoeabs.peaks (8.37, 7.83, 124.07 ppm; 6.18 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 79 + H VAL 78 OK 100 100 - 100 - 4.6=100 Peak 1922 from nnoeabs.peaks (8.60, 8.37, 126.17 ppm; 5.47 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 80 + H PHE 79 OK 100 100 - 100 - 4.7=100 Peak 1924 from nnoeabs.peaks (8.86, 9.06, 126.69 ppm; 5.28 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 82 + H LEU 81 OK 100 100 - 100 - 4.6=100 Peak 1925 from nnoeabs.peaks (8.44, 8.86, 124.89 ppm; 5.56 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 83 + H LEU 82 OK 100 100 - 100 - 4.6=100 Peak 1926 from nnoeabs.peaks (8.21, 8.44, 122.15 ppm; 5.02 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 84 + H GLN 83 OK 100 100 - 100 - 4.5=100 Peak 1928 from nnoeabs.peaks (8.69, 8.62, 120.20 ppm; 3.35 A): 2 out of 3 assignments used, quality = 0.79: * H ASP 86 + H GLN 85 OK 75 100 - 75 - 536=42, 537/3.0=23...(9) H ASP 110 + H GLN 85 OK 18 99 - 18 - 4.4/10344=2, 1953/4.6=2...(10) H ARG 105 - H GLN 85 lone 7 81 - 8 - 4.2/10029=3, 7737/4.0=1...(4) Peak 1930 from nnoeabs.peaks (8.53, 8.64, 123.60 ppm; 3.96 A): 1 out of 3 assignments used, quality = 0.85: * H ASN 88 + H GLU 87 OK 85 100 - 85 - 4.6=62, 10058/3.6=21...(7) H LYS 19 - H GLU 87 lone 4 99 - 4 - 7745/4.0=1, 7746/4.0=1 H ILE 57 - H GLU 87 lone 2 81 - 2 - Peak 1931 from nnoeabs.peaks (8.22, 8.53, 118.84 ppm; 3.44 A): 1 out of 6 assignments used, quality = 0.71: * H GLU 89 + H ASN 88 OK 71 100 - 72 - 4.6=41, 4.2/1580=18...(13) H GLU 111 - H ASN 88 lone 8 96 - 9 - 3.9/550=2, 1729/4.6=1...(7) H GLU 112 - H ASN 88 lone 6 84 - 7 - 4.6/550=1 H ASP 84 - H ASN 88 lone 1 73 - 1 - H ILE 15 - H ASN 88 lone 1 70 - 1 - H LEU 38 - H ASN 88 lone 1 65 - 1 - Peak 1932 from nnoeabs.peaks (8.05, 8.22, 120.95 ppm; 3.66 A): 2 out of 7 assignments used, quality = 0.80: * H LEU 90 + H GLU 89 OK 77 100 - 77 - 4.6=49, 7752/3.0=24...(11) H ASP 109 + H GLU 89 OK 13 90 - 15 - 4.0/10343=2, 4.0/10342=2...(8) H THR 9 - H GLU 89 lone 9 100 - 9 - 4.6/2131=2, 7752/3.0=1 H LYS 65 - H GLU 89 lone 8 94 - 8 - 7752/3.0=2, 4.2/10069=1 H GLN 122 - H GLU 89 lone 7 97 - 7 - 2129/4.6=2, 7752/3.0=1 H VAL 22 - H GLU 89 lone 2 92 - 3 - H HIS 131 - H GLU 89 lone 1 87 - 1 - Peak 1933 from nnoeabs.peaks (7.94, 8.05, 119.58 ppm; 4.08 A): 1 out of 5 assignments used, quality = 0.91: * H GLU 91 + H LEU 90 OK 91 100 - 91 - 4.6=68, 568/4.0=22...(10) H GLY 125 - H LEU 90 lone 7 94 - 8 - 8177/3.6=2, 4.6/2240=2 H GLY 101 - H LEU 90 lone 4 99 - 4 - 8177/3.6=1 HD21 ASN 33 - H LEU 90 lone 3 100 - 3 - 8177/3.6=1 H GLY 75 - H LEU 90 lone 1 77 - 1 - Peak 1934 from nnoeabs.peaks (8.09, 7.94, 119.03 ppm; 3.16 A): 3 out of 4 assignments used, quality = 0.74: * H GLU 92 + H GLU 91 OK 63 100 - 63 - 4.6=32, 574/2.9=18...(11) H PHE 93 + H GLU 91 OK 21 77 - 27 - 4.6/573=10, 2149/3.6=7...(9) H SER 99 + H GLU 91 OK 10 90 - 12 - 2178/2.9=3, 3.6/10159=2...(5) H GLU 128 - H GLU 91 lone 8 99 - 8 - 2263/2.9=3, 7765/4.0=1...(4) Peak 1935 from nnoeabs.peaks (8.10, 8.09, 118.67 ppm; diagonal): 1 out of 1 assignment used, quality = 0.77: H GLU 92 + H GLU 92 OK 77 77 - 100 Reference assignment not found: H PHE 93 - H GLU 92 Peak 1936 from nnoeabs.peaks (8.61, 8.10, 120.12 ppm; 3.35 A): 2 out of 8 assignments used, quality = 0.74: * H LYS 94 + H PHE 93 OK 68 100 - 68 - 4.6=38, 4.3/1611=18...(8) H THR 108 + H PHE 93 OK 20 100 - 20 - 4.2/10296=9, 4.0/2149=4...(5) H ALA 124 - H PHE 93 lone 3 99 - 3 - 2146/4.6=2 H GLN 85 - H PHE 93 lone 2 90 - 2 - H LEU 80 - H PHE 93 lone 2 99 - 2 - H LYS 49 - H PHE 93 lone 1 100 - 1 - H ILE 71 - H PHE 93 lone 1 96 - 1 - H ASP 12 - H PHE 93 lone 0 57 - 1 - Peak 1937 from nnoeabs.peaks (8.16, 8.61, 118.94 ppm; 3.52 A): 1 out of 2 assignments used, quality = 0.75: * H ARG 95 + H LYS 94 OK 75 100 - 76 - 4.5=48, 596/3.9=15...(10) H LEU 45 - H LYS 94 lone 9 100 - 9 - 5.0/10097=2, 8205/3.6=1 Peak 1938 from nnoeabs.peaks (7.79, 8.16, 117.19 ppm; 3.37 A): 3 out of 3 assignments used, quality = 0.79: * H LYS 96 + H ARG 95 OK 69 100 - 69 - 4.6=38, 4.6/1630=11...(15) H LYS 40 + H ARG 95 OK 24 97 - 24 - 7790/3.9=4, 7789/3.9=3...(9) H GLU 66 + H ARG 95 OK 11 70 - 16 - 2.9/8199=5, 7790/3.9=2...(6) Peak 1939 from nnoeabs.peaks (7.83, 7.79, 119.58 ppm; 2.92 A): 2 out of 5 assignments used, quality = 0.68: * H ILE 97 + H LYS 96 OK 52 100 - 52 - 4.5=27, 7795/2.9=10...(7) H LYS 39 + H LYS 96 OK 34 100 - 34 - 611=10, 7797/4.1=5...(11) H VAL 78 - H LYS 96 lone 6 100 - 6 - 7797/4.1=1, 7795/2.9=1 H TYR 27 - H LYS 96 lone 5 81 - 6 - 11346/2.9=3 HE21 GLN 62 - H LYS 96 lone 1 73 - 1 - Peak 1940 from nnoeabs.peaks (8.67, 7.83, 118.55 ppm; 3.64 A): 3 out of 4 assignments used, quality = 0.83: * H GLU 98 + H ILE 97 OK 74 100 - 74 - 4.7=48, 623/3.9=17...(12) H GLU 98 + H LYS 39 OK 25 92 - 27 - 621=12, 2173/4.7=4...(6) H VAL 104 + H ILE 97 OK 11 61 - 17 - 3.9/1650=6, 7809/4.7=3...(7) H VAL 104 - H LYS 39 lone 4 51 - 7 - 3.6/2035=2, 3.9/1650=1 Peak 1941 from nnoeabs.peaks (8.10, 8.67, 121.98 ppm; 4.00 A): 1 out of 5 assignments used, quality = 0.85: * H SER 99 + H GLU 98 OK 85 100 - 85 - 4.6=64, 4.3/1654=17...(8) H PHE 93 - H GLU 98 lone 5 99 - 5 - 8223/2174=2, 2171/4.7=1 H GLU 92 - H GLU 98 lone 5 90 - 6 - 8223/2174=2 H GLU 128 - H GLU 98 lone 3 77 - 4 - H ALA 113 - H GLU 98 lone 1 61 - 1 - Peak 1942 from nnoeabs.peaks (7.62, 8.10, 115.50 ppm; 4.15 A): 1 out of 11 assignments used, quality = 0.80: * H GLN 100 + H SER 99 OK 80 100 - 80 - 4.6=71, 4.5/1660=12...(7) H ASP 34 - H SER 99 lone 7 97 - 8 - 9318/4.3=2, 9316/4.9=2 H LYS 115 - H SER 99 lone 6 98 - 6 - 634=2 H GLU 69 - H SER 99 lone 4 99 - 4 - 2.9/2178=1 HE21 GLN 85 - H SER 99 lone 3 100 - 3 - 4.4/630=1 H LEU 64 - H SER 99 lone 2 100 - 2 - H ALA 46 - H SER 99 lone 2 81 - 2 - 3.6/2179=1 HD21 ASN 50 - H SER 99 lone 1 92 - 1 - H LEU 74 - H SER 99 lone 1 81 - 1 - HD21 ASN 10 - H SER 99 lone 0 65 - 1 - H LYS 16 - H SER 99 lone 0 61 - 1 - Peak 1943 from nnoeabs.peaks (7.95, 7.62, 119.30 ppm; 4.26 A): 1 out of 10 assignments used, quality = 0.91: * H GLY 101 + H GLN 100 OK 91 100 - 91 - 4.7=77, 639/3.0=36...(7) H GLU 91 - H GLN 100 lone 5 99 - 5 - 1934/4.6=3 H GLY 101 - H LYS 115 lone 2 67 - 3 - 638=1 H GLY 125 - H GLN 100 lone 2 99 - 2 - H GLU 91 - H LYS 115 lone 1 64 - 2 - HD21 ASN 33 - H GLN 100 lone 1 97 - 1 - HD21 ASN 33 - H LYS 115 lone 1 62 - 1 - H GLY 125 - H LYS 115 lone 1 65 - 1 - H LYS 53 - H GLN 100 lone 1 70 - 1 - H LYS 53 - H LYS 115 lone 0 39 - 1 - Peak 1944 from nnoeabs.peaks (6.89, 7.95, 105.77 ppm; 3.86 A): 1 out of 5 assignments used, quality = 0.59: * H TYR 102 + H GLY 101 OK 59 100 - 59 - 4.6=57, 10166/10159=3 HE22 GLN 85 - H GLY 101 lone 2 99 - 2 - HE22 GLN 25 - H GLY 101 lone 1 81 - 2 - 11168/10159=1 HD22 ASN 50 - H GLY 101 lone 1 87 - 1 - HE22 GLN 62 - H GLY 101 lone 1 100 - 1 - Peak 1945 from nnoeabs.peaks (8.32, 6.89, 117.99 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 103 + H TYR 102 OK 100 100 - 100 - 4.7=100 Peak 1946 from nnoeabs.peaks (8.65, 8.32, 122.86 ppm; 5.03 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 104 + H GLU 103 OK 100 100 - 100 - 4.7=100 Peak 1948 from nnoeabs.peaks (8.81, 8.71, 124.86 ppm; 4.46 A): 1 out of 5 assignments used, quality = 0.98: * H LYS 106 + H ARG 105 OK 98 100 - 98 - 4.6=92, 7840/3.0=33...(9) H ILE 54 - H ARG 105 OK 20 100 - 20 - 7840/3.0=4, 10802/4.1=3...(8) H SER 58 - H ARG 105 lone 9 100 - 9 - 346/3.0=3, 7844/4.9=1...(5) H PHE 120 - H ARG 105 poor 9 61 - 14 - 8.2/4701=8, 7844/4.9=2...(5) H ASN 59 - H ARG 105 lone 2 84 - 2 - Peak 1949 from nnoeabs.peaks (8.55, 8.81, 121.50 ppm; 5.77 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 107 + H LYS 106 OK 100 100 - 100 - 4.6=100 Peak 1951 from nnoeabs.peaks (8.04, 8.60, 114.07 ppm; 3.28 A): 1 out of 9 assignments used, quality = 0.79: * H ASP 109 + H THR 108 OK 79 100 - 79 - 691=38, 692/2.9=25...(9) H LEU 90 - H THR 108 lone 6 90 - 7 - 3.0/1717=2, 4.4/689=2 H LYS 65 - H THR 108 lone 5 100 - 5 - 10297/4.2=3 H SER 72 - H THR 108 lone 2 84 - 3 - H THR 9 - H THR 108 lone 2 96 - 2 - H ARG 118 - H THR 108 lone 2 92 - 2 - H GLN 122 - H THR 108 lone 2 65 - 2 - H VAL 22 - H THR 108 lone 2 100 - 2 - H GLY 26 - H THR 108 lone 0 73 - 0 - Peak 1952 from nnoeabs.peaks (8.70, 8.04, 122.57 ppm; 4.71 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 110 + H ASP 109 OK 100 100 - 100 - 4.6=100 Peak 1953 from nnoeabs.peaks (8.21, 8.70, 122.85 ppm; 3.25 A): 2 out of 4 assignments used, quality = 0.66: * H GLU 111 + H ASP 110 OK 61 100 - 61 - 4.6=34, 4.4/1726=14...(7) H ASP 84 + H ASP 110 OK 13 96 - 14 - 4.6/1928=3, 4.1/11298=2...(6) H GLU 89 - H ASP 110 lone 8 96 - 8 - 10343/4.4=2, 1932/4.6=1 H LEU 38 - H ASP 110 lone 4 92 - 4 - Peak 1955 from nnoeabs.peaks (8.12, 8.23, 121.40 ppm; 3.28 A): 2 out of 4 assignments used, quality = 0.72: * H ALA 113 + H GLU 112 OK 61 100 - 61 - 4.6=36, 2.9/10398=13...(9) H VAL 117 + H GLU 112 OK 27 100 - 28 - 709=13, 4.0/10399=3...(7) H PHE 93 - H GLU 112 lone 2 77 - 3 - H SER 99 - H GLU 112 lone 1 61 - 2 - Peak 1956 from nnoeabs.peaks (7.74, 8.12, 120.32 ppm; 3.39 A): 2 out of 4 assignments used, quality = 0.89: * H LEU 114 + H ALA 113 OK 78 100 - 78 - 4.6=39, 7880/2.9=24...(16) H LEU 114 + H VAL 117 OK 50 97 - 52 - 715=19, 3.0/2206=10...(12) H GLU 48 - H ALA 113 lone 5 99 - 5 - 2184/4.6=2, 7880/2.9=1 H GLU 48 - H VAL 117 lone 2 95 - 3 - Peak 1957 from nnoeabs.peaks (7.62, 7.74, 116.90 ppm; 3.41 A): 3 out of 11 assignments used, quality = 0.84: * H LYS 115 + H LEU 114 OK 77 100 - 77 - 718=41, 4.3/6664=14...(14) H LEU 64 + H LEU 114 OK 21 94 - 22 - 2083/3.0=5, 1420/4.5=3...(10) H GLN 100 + H LEU 114 OK 14 98 - 14 - 718=5, 7883/3.9=1 H LYS 16 - H LEU 114 poor 10 84 - 11 - 4.6/2190=3, 7883/3.9=2...(4) H GLU 69 - H LEU 114 lone 6 92 - 6 - 423/3.9=1 H LEU 74 - H LEU 114 lone 5 96 - 5 - H ASP 34 - H LEU 114 lone 4 100 - 4 - HE ARG 105 - H LEU 114 lone 2 65 - 4 - HE21 GLN 85 - H LEU 114 lone 1 97 - 1 - H ALA 46 - H LEU 114 lone 1 57 - 2 - HD21 ASN 50 - H LEU 114 lone 1 73 - 1 - Peak 1958 from nnoeabs.peaks (8.00, 7.62, 119.07 ppm; 3.35 A): 1 out of 6 assignments used, quality = 0.68: * H ILE 116 + H LYS 115 OK 68 100 - 68 - 4.6=38, 2193/4.6=9...(15) H ILE 116 - H GLN 100 lone 6 67 - 9 - 725=4 H SER 72 - H LYS 115 lone 4 61 - 7 - H GLY 26 - H LYS 115 lone 2 73 - 3 - H SER 72 - H GLN 100 lone 0 34 - 1 - H GLY 26 - H GLN 100 lone 0 42 - 0 - Peak 1959 from nnoeabs.peaks (8.12, 8.00, 120.61 ppm; 3.45 A): 2 out of 3 assignments used, quality = 0.91: H ALA 113 + H ILE 116 OK 71 100 - 72 - 735=25, 3.6/8249=13...(15) * H VAL 117 + H ILE 116 OK 68 100 - 68 - 4.7=41, 4.3/1762=15...(10) H PHE 93 - H ILE 116 lone 1 65 - 2 - Peak 1960 from nnoeabs.peaks (8.03, 8.12, 120.23 ppm; 3.07 A): 4 out of 14 assignments used, quality = 0.76: * H ARG 118 + H VAL 117 OK 53 100 - 53 - 4.7=29, 7903/4.0=9...(7) H ARG 118 + H ALA 113 OK 31 97 - 32 - 742=10, 4.3/6841=6...(7) H LYS 65 + H VAL 117 OK 15 87 - 17 - 742=4, 7905/4.0=3...(5) H ASP 109 + H ALA 113 OK 12 87 - 13 - 4.0/11123=4, 4.6/10411=3...(5) H LYS 65 - H ALA 113 poor 9 81 - 11 - 742=2, 11125/2.9=1 H ASP 109 - H VAL 117 lone 7 92 - 7 - 7904/4.0=1, 4.0/11123=1 H SER 72 - H VAL 117 lone 2 100 - 2 - H VAL 22 - H VAL 117 lone 2 90 - 2 - H GLY 26 - H VAL 117 lone 2 98 - 2 - H SER 72 - H ALA 113 lone 2 96 - 2 - H VAL 22 - H ALA 113 lone 2 84 - 2 - H GLY 26 - H ALA 113 lone 1 94 - 1 - H THR 9 - H ALA 113 lone 1 60 - 2 - H THR 9 - H VAL 117 lone 1 65 - 1 - Peak 1961 from nnoeabs.peaks (7.92, 8.03, 118.42 ppm; 3.72 A): 2 out of 6 assignments used, quality = 0.86: * H GLU 119 + H ARG 118 OK 83 100 - 83 - 4.6=51, 750/4.1=16...(11) H GLU 119 + H LYS 65 OK 18 68 - 27 - 747=9, 4.2/1774=3...(10) H GLY 75 - H ARG 118 lone 3 97 - 3 - H GLY 75 - H LYS 65 lone 2 62 - 3 - HD21 ASN 33 - H ARG 118 lone 0 57 - 1 - HD21 ASN 33 - H LYS 65 lone 0 32 - 0 - Peak 1962 from nnoeabs.peaks (8.83, 7.92, 122.42 ppm; 3.48 A): 1 out of 3 assignments used, quality = 0.70: * H PHE 120 + H GLU 119 OK 70 100 - 70 - 4.6=42, 2213/4.6=9...(10) H LYS 106 - H GLU 119 lone 3 61 - 6 - 4.2/750=1 H SER 58 - H GLU 119 lone 2 73 - 3 - Peak 1963 from nnoeabs.peaks (8.32, 8.83, 119.60 ppm; 4.02 A): 1 out of 2 assignments used, quality = 0.89: * H MET 121 + H PHE 120 OK 89 100 - 89 - 4.6=66, 764/4.0=21...(9) H GLU 103 - H PHE 120 lone 4 100 - 4 - 2218/4.6=1 Peak 1964 from nnoeabs.peaks (8.05, 8.32, 116.60 ppm; 3.56 A): 1 out of 7 assignments used, quality = 0.73: * H GLN 122 + H MET 121 OK 73 100 - 73 - 4.6=45, 771/4.0=17...(8) H VAL 22 - H MET 121 lone 6 70 - 9 - 4.0/10590=2, 7929/6.0=2...(4) H LEU 90 - H MET 121 lone 5 97 - 5 - 2223/4.6=3, 2135/3.6=1 H LYS 65 - H MET 121 lone 3 73 - 4 - 776/2235=1 H THR 9 - H MET 121 lone 2 92 - 2 - H HIS 131 - H MET 121 lone 1 99 - 1 - H ASP 109 - H MET 121 lone 1 65 - 1 - Peak 1965 from nnoeabs.peaks (8.40, 8.05, 120.56 ppm; 3.44 A): 2 out of 3 assignments used, quality = 0.76: * H LYS 123 + H GLN 122 OK 71 100 - 71 - 4.6=42, 2235/4.6=12...(12) H MET 67 + H GLN 122 OK 17 98 - 18 - 3.6/2231=2, 4.1/772=2...(10) H ASP 36 - H GLN 122 lone 2 87 - 2 - Peak 1966 from nnoeabs.peaks (8.60, 8.40, 121.61 ppm; 3.74 A): 2 out of 8 assignments used, quality = 0.84: * H ALA 124 + H LYS 123 OK 80 100 - 80 - 4.6=53, 2.9/10613=13...(9) H ILE 71 + H LYS 123 OK 17 100 - 17 - 436/3.7=3, 437/5.0=2...(8) H GLN 85 - H LYS 123 lone 5 73 - 7 - 8307/3.6=2, 5.0/780=1...(4) H LYS 94 - H LYS 123 lone 4 99 - 4 - 8307/3.6=1 H LYS 49 - H LYS 123 lone 3 98 - 3 - 4.0/1815=1 H LEU 80 - H LYS 123 lone 3 100 - 3 - H THR 108 - H LYS 123 lone 2 100 - 2 - H ASP 12 - H LYS 123 lone 1 77 - 1 - Peak 1967 from nnoeabs.peaks (7.95, 8.60, 121.87 ppm; 3.74 A): 2 out of 5 assignments used, quality = 0.67: * H GLY 125 + H ALA 124 OK 62 100 - 62 - 4.6=54, 2245/4.6=8...(4) H GLU 91 + H ALA 124 OK 12 94 - 13 - 2238/4.6=3, 4.6/2146=2...(7) H GLY 101 - H ALA 124 lone 1 99 - 1 - H LYS 53 - H ALA 124 lone 1 84 - 1 - HD21 ASN 33 - H ALA 124 lone 1 90 - 1 - Peak 1968 from nnoeabs.peaks (7.86, 7.95, 104.75 ppm; 3.97 A): 1 out of 4 assignments used, quality = 0.84: * H SER 126 + H GLY 125 OK 84 100 - 84 - 4.6=63, 798/3.0=19...(7) H TYR 27 - H GLY 125 lone 2 73 - 3 - H ASP 60 - H GLY 125 lone 1 99 - 1 - HE21 GLN 62 - H GLY 125 lone 1 81 - 1 - Peak 1969 from nnoeabs.peaks (7.88, 7.86, 116.08 ppm; 2.60 A): 1 out of 2 assignments used, quality = 0.60: * H LEU 127 + H SER 126 OK 60 100 - 60 - 800=49, 7949/4.0=5...(7) HD21 ASN 88 - H SER 126 lone 0 96 - 0 - Peak 1970 from nnoeabs.peaks (8.08, 7.88, 122.37 ppm; 3.60 A): 2 out of 4 assignments used, quality = 0.86: * H GLU 128 + H LEU 127 OK 84 100 - 84 - 804=49, 806/4.0=19...(14) H GLU 92 + H LEU 127 OK 14 99 - 14 - 8331/3.6=3, 2253/4.6=3...(6) H PHE 93 - H LEU 127 lone 3 61 - 6 - 3.6/803=1, 10638/4.5=1 H SER 99 - H LEU 127 lone 2 77 - 2 - Peak 1972 from nnoeabs.peaks (7.58, 8.59, 126.31 ppm; 5.07 A): 2 out of 3 assignments used, quality = 0.88: * H LEU 14 + H ASP 12 OK 87 100 - 87 - 1975=37, 62/4.5=35...(9) H LYS 17 + H ASP 12 OK 14 98 - 14 - 1862/4.5=7, 9136/4.4=4 HE21 GLN 25 - H ASP 12 lone 2 81 - 3 - Peak 1974 from nnoeabs.peaks (4.27, 7.58, 121.68 ppm; 5.82 A): 1 out of 5 assignments used, quality = 0.88: * HA ASP 12 + H LEU 14 OK 88 100 - 88 - 3.6/62=45, 3.0/1972=35...(10) HA GLU 41 - H LEU 14 lone 8 92 - 9 - 1979/4.6=3, 9398/4.3=1 HA LYS 73 - H LEU 14 lone 5 65 - 8 - 1979/4.6=3, 3.6/1865=2 HA GLU 52 - H LEU 14 lone 4 77 - 6 - 1979/4.6=3 HA LEU 127 - H LEU 14 lone 4 94 - 4 - 1979/4.6=1 Peak 1975 from nnoeabs.peaks (8.59, 7.58, 121.68 ppm; 5.25 A): 1 out of 6 assignments used, quality = 0.89: * H ASP 12 + H LEU 14 OK 89 100 - 89 - 1972=42, 4.5/62=36...(9) H ALA 124 - H LEU 14 lone 4 77 - 5 - 2.9/1091=1, 4.4/9162=1 H LYS 94 - H LEU 14 lone 4 57 - 7 - 4.3/9159=1, 3.9/64=1 H THR 108 - H LEU 14 lone 4 65 - 6 - 690/4.3=2, 689/4.3=1, 4.2/1094=1 H ILE 71 - H LEU 14 lone 4 87 - 4 - H LEU 80 - H LEU 14 lone 3 77 - 4 - Peak 1979 from nnoeabs.peaks (4.27, 8.24, 119.48 ppm; 3.94 A): 1 out of 5 assignments used, quality = 0.76: * HA ASP 12 + H ILE 15 OK 76 100 - 76 - 7964=31, 7965/3.8=24...(8) HA GLU 41 - H ILE 15 lone 7 92 - 8 - 7966/3.8=2, 9178/4.1=2...(4) HA LYS 73 - H ILE 15 poor 7 65 - 10 - 3.6/1864=7, 7966/3.8=1 HA GLU 52 - H ILE 15 lone 6 77 - 8 - 9178/4.1=2, 7966/3.8=2...(4) HA LEU 127 - H ILE 15 lone 3 94 - 3 - Peak 1983 from nnoeabs.peaks (4.03, 7.60, 117.60 ppm; 3.75 A): 5 out of 24 assignments used, quality = 0.67: HA LYS 40 + H LYS 16 OK 29 99 - 30 - 1989/4.6=5, 11424/5.0=5...(11) * HA GLU 13 + H LYS 16 OK 23 100 - 23 - 3.6/1865=8, 1989/4.6=5...(7) HA3 GLY 75 + H LEU 74 OK 22 75 - 30 - 3.0/462=21, 3.6/9827=10 HA PHE 120 + H LYS 16 OK 12 99 - 12 - 8299/4.5=4, 10984/4.1=3 HA3 GLY 75 + H LYS 16 OK 11 81 - 13 - 3.0/462=7, 3.6/9827=2 HB2 SER 126 - H LYS 16 lone 9 100 - 9 - 11425/5.0=2, 10641/4.0=2...(5) HA LYS 123 - H LYS 16 lone 8 100 - 8 - 1989/4.6=2, 11425/5.0=1 HB3 SER 126 - H LYS 16 lone 8 99 - 8 - 11425/5.0=2, 11424/5.0=2...(5) HA GLU 119 - H LYS 16 lone 7 100 - 7 - 3.0/1917=1 HA GLU 66 - H LYS 16 lone 5 100 - 5 - 3.0/11374=1 HA LYS 40 - H LEU 74 lone 5 96 - 5 - HA GLU 13 - H LEU 74 lone 4 97 - 4 - 3.6/1865=1 HA GLU 92 - H LYS 16 lone 3 98 - 3 - HA PHE 120 - H LEU 74 lone 3 96 - 3 - HA GLU 87 - H LYS 16 lone 3 94 - 3 - HA GLU 66 - H LEU 74 lone 2 97 - 2 - HA LYS 123 - H LEU 74 lone 2 97 - 2 - HA GLU 119 - H LEU 74 lone 2 97 - 2 - HB2 SER 126 - H LEU 74 lone 1 96 - 1 - HB3 SER 126 - H LEU 74 lone 1 96 - 1 - HA GLU 87 - H LEU 74 lone 1 89 - 1 - HA GLU 92 - H LEU 74 lone 1 94 - 1 - HA3 GLY 101 - H LYS 16 lone 1 70 - 1 - HA3 GLY 101 - H LEU 74 lone 0 64 - 1 - Peak 1985 from nnoeabs.peaks (8.79, 7.60, 117.60 ppm; 5.80 A): 4 out of 12 assignments used, quality = 0.81: * H ILE 18 + H LYS 16 OK 67 100 - 67 - 4.6/82=35, 7983/3.6=30...(7) H MET 42 + H LYS 16 OK 25 98 - 26 - 2050/3.0=11, 1866/4.6=5...(6) H ILE 18 + H LEU 74 OK 14 97 - 14 - 4.6/82=8, 4.6/77=1 H ASN 59 + H LYS 16 OK 10 94 - 11 - 9612/4.1=5, 7983/3.6=4 H ILE 5 - H LYS 16 poor 7 57 - 11 - 5.0/80=2, 7983/3.6=2...(4) H VAL 29 - H LYS 16 lone 4 94 - 5 - 7983/3.6=2 H MET 42 - H LEU 74 lone 4 94 - 4 - H ILE 54 - H LYS 16 lone 4 61 - 6 - 4.8/80=2, 7983/3.6=1 H ASN 59 - H LEU 74 lone 3 89 - 3 - H VAL 29 - H LEU 74 lone 2 89 - 2 - H ILE 5 - H LEU 74 lone 2 53 - 4 - H ILE 54 - H LEU 74 lone 1 56 - 3 - Peak 1987 from nnoeabs.peaks (8.24, 7.58, 118.83 ppm; 6.15 A): 2 out of 3 assignments used, quality = 0.65: * H ILE 15 + H LYS 17 OK 60 100 - 60 - 4.6/82=36, 68=12...(9) H GLU 112 + H LYS 17 OK 12 99 - 12 - 10398/4.9=4, 75/4.6=4 H GLU 89 - H LYS 17 lone 5 70 - 8 - 4.6/1990=3 Peak 1988 from nnoeabs.peaks (3.98, 7.58, 118.83 ppm; 3.34 A): 1 out of 1 assignment used, quality = 0.97: HA LYS 17 + H LYS 17 OK 97 97 - 100 - 3.0=100 Reference assignment not found: HA LEU 14 - H LYS 17 Peak 1989 from nnoeabs.peaks (4.03, 7.58, 118.83 ppm; 3.80 A): 2 out of 12 assignments used, quality = 0.51: * HA GLU 13 + H LYS 17 OK 31 100 - 31 - 3.0/7350=6, 3.0/1862=6...(10) HA LYS 40 + H LYS 17 OK 30 99 - 30 - 3.0/1114=6, 4.0/86=5...(12) HA LYS 123 - H LYS 17 lone 9 100 - 9 - 2.9/1115=1, 2.9/1115=1 HB2 SER 126 - H LYS 17 lone 6 100 - 7 - 10641/4.7=2, 10641/4.7=2 HB3 SER 126 - H LYS 17 lone 6 99 - 6 - 10641/4.7=1, 10641/4.7=1 HA PHE 120 - H LYS 17 lone 5 99 - 5 - 1983/4.6=1 HA GLU 119 - H LYS 17 lone 5 100 - 5 - HA GLU 92 - H LYS 17 lone 4 98 - 4 - HA GLU 66 - H LYS 17 lone 3 100 - 3 - HA3 GLY 75 - H LYS 17 lone 3 81 - 4 - 1983/4.6=1 HA GLU 87 - H LYS 17 lone 2 94 - 3 - 3.6/1990=1 HA3 GLY 101 - H LYS 17 lone 0 70 - 1 - Peak 1990 from nnoeabs.peaks (8.53, 7.58, 118.83 ppm; 5.47 A): 2 out of 3 assignments used, quality = 0.75: * H LYS 19 + H LYS 17 OK 72 100 - 72 - 1997=38, 7988/3.6=33 H ILE 57 + H LYS 17 OK 12 94 - 12 - 1867/4.6=7, 7988/3.6=4 H ASN 88 - H LYS 17 lone 7 99 - 7 - 4.6/1987=2, 7988/3.6=1 Peak 1993 from nnoeabs.peaks (3.22, 8.79, 120.96 ppm; 4.34 A): 2 out of 4 assignments used, quality = 0.75: * HA ILE 15 + H ILE 18 OK 65 100 - 65 - 7983=31, 7985/3.9=12...(9) HB2 PHE 120 + H ILE 18 OK 28 100 - 28 - 7985/3.9=10, 9190/4.0=8...(5) HD2 ARG 95 - H ILE 18 lone 9 100 - 8 - 7985/3.9=2, 9190/4.0=2...(4) HD3 ARG 95 - H ILE 18 lone 8 99 - 8 - 7985/3.9=2, 9190/4.0=2...(4) Peak 1995 from nnoeabs.peaks (7.30, 8.79, 120.96 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.89: * H LYS 20 + H ILE 18 OK 89 100 - 89 - 1868/4.6=43, 7995/3.6=42...(7) HE21 GLN 100 - H ILE 18 lone 3 70 - 4 - 8001/3.0=1 Peak 1997 from nnoeabs.peaks (7.58, 8.53, 118.32 ppm; 5.47 A): 2 out of 3 assignments used, quality = 0.78: * H LYS 17 + H LYS 19 OK 72 100 - 73 - 1990=39, 3.6/7988=33 H LEU 14 + H LYS 19 OK 20 98 - 21 - 92/4.6=11, 1090/4.5=5...(4) HE ARG 105 - H LYS 19 lone 1 73 - 2 - Peak 1998 from nnoeabs.peaks (3.84, 8.53, 118.32 ppm; 4.32 A): 2 out of 3 assignments used, quality = 0.82: * HA LYS 16 + H LYS 19 OK 78 100 - 78 - 7988=35, 7989/4.0=25...(9) HA LYS 39 + H LYS 19 OK 19 100 - 19 - 7990/4.0=5, 7992/4.0=4...(7) HA2 GLY 75 - H LYS 19 lone 6 97 - 6 - 7990/4.0=2, 2004/4.5=1 Peak 1999 from nnoeabs.peaks (3.22, 8.53, 118.32 ppm; 5.67 A): 4 out of 4 assignments used, quality = 0.85: * HA ILE 15 + H LYS 19 OK 70 100 - 70 - 7986=30, 7983/4.6=24...(8) HB2 PHE 120 + H LYS 19 OK 38 100 - 39 - 7985/4.5=14, 9190/3.7=14...(6) HD2 ARG 95 + H LYS 19 OK 12 100 - 11 - 9190/3.7=3, 7985/4.5=3 HD3 ARG 95 + H LYS 19 OK 12 99 - 11 - 9190/3.7=3, 7985/4.5=3 Peak 2001 from nnoeabs.peaks (3.37, 7.30, 116.28 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.92: * HA ILE 18 + H LYS 20 OK 92 100 - 92 - 8001=48, 3.6/1868=48...(9) Peak 2002 from nnoeabs.peaks (8.79, 7.30, 116.28 ppm; 5.23 A): 3 out of 6 assignments used, quality = 0.85: * H ILE 18 + H LYS 20 OK 81 100 - 81 - 4.6/1868=34, 3.6/7995=33...(7) H VAL 29 + H LYS 20 OK 14 94 - 15 - 160/4.4=7, 102/4.5=4 H MET 42 + H LYS 20 OK 10 98 - 10 - 2050/7993=3, 8056/2004=2...(4) H ILE 5 - H LYS 20 lone 5 57 - 9 - 4.0/9202=3, 102/4.5=2...(4) H ASN 59 - H LYS 20 lone 4 94 - 4 - 9612/9202=1, 102/4.5=1 H ILE 54 - H LYS 20 lone 2 61 - 3 - Peak 2003 from nnoeabs.peaks (3.99, 7.30, 116.28 ppm; 4.00 A): 2 out of 8 assignments used, quality = 0.63: * HA LYS 17 + H LYS 20 OK 56 100 - 56 - 7995=27, 3.6/2002=13...(9) HA LEU 14 + H LYS 20 OK 17 97 - 17 - 7981/1995=3, 3.0/1143=3...(6) HB3 SER 99 - H LYS 20 lone 10 99 - 10 - 11543/4.9=3, 11542/4.9=3...(4) HB2 SER 99 - H LYS 20 lone 10 99 - 10 - 11543/4.9=3, 11542/4.9=3...(4) HA GLU 111 - H LYS 20 lone 2 99 - 2 - HA GLU 112 - H LYS 20 lone 2 99 - 2 - HA3 GLY 75 - H LYS 20 lone 2 57 - 3 - 1.8/2004=2 HA3 GLY 101 - H LYS 20 lone 1 70 - 1 - Peak 2004 from nnoeabs.peaks (3.84, 7.30, 116.28 ppm; 4.98 A): 2 out of 3 assignments used, quality = 0.82: * HA LYS 16 + H LYS 20 OK 77 100 - 77 - 7989/4.4=28, 7993=25...(13) HA LYS 39 + H LYS 20 OK 22 100 - 22 - 7990/4.4=6, 1998/4.5=5 HA2 GLY 75 - H LYS 20 lone 8 97 - 8 - 7990/4.4=2, 1998/4.5=2 Peak 2008 from nnoeabs.peaks (3.37, 7.67, 118.49 ppm; 4.56 A): 1 out of 1 assignment used, quality = 0.83: * HA ILE 18 + H GLU 21 OK 83 100 - 83 - 8002=40, 8006/4.1=26...(10) Peak 2024 from nnoeabs.peaks (9.01, 8.87, 114.38 ppm; 5.24 A): 1 out of 1 assignment used, quality = 0.88: * H GLU 37 + H SER 35 OK 88 100 - 88 - 11684/3.6=41...(7) Peak 2025 from nnoeabs.peaks (8.20, 8.39, 124.69 ppm; 5.22 A): 3 out of 4 assignments used, quality = 0.93: * H LEU 38 + H ASP 36 OK 89 100 - 89 - 4.6/1881=39, 2030=29...(11) H ASP 84 + H ASP 36 OK 18 100 - 18 - 8028/3.6=5, 8034/3.0=4...(6) H GLU 111 + H ASP 36 OK 15 92 - 16 - 1882/4.5=4, 8034/3.0=4...(5) H GLU 89 - H ASP 36 poor 8 65 - 12 - 9330/4.6=3, 8028/3.6=2...(5) Peak 2028 from nnoeabs.peaks (7.83, 9.01, 122.45 ppm; 5.20 A): 3 out of 5 assignments used, quality = 0.81: * H LYS 39 + H GLU 37 OK 67 100 - 67 - 4.5/205=36, 2035/3.6=20...(9) H ILE 97 + H GLU 37 OK 27 100 - 27 - 1883/4.6=9, 8035/3.6=8...(7) H VAL 78 + H GLU 37 OK 20 100 - 20 - 8035/3.6=5, 4.0/9360=4...(6) H TYR 27 - H GLU 37 lone 6 73 - 8 - 11346/2.9=4 HE21 GLN 62 - H GLU 37 lone 3 65 - 5 - Peak 2030 from nnoeabs.peaks (8.39, 8.20, 119.58 ppm; 4.64 A): 2 out of 5 assignments used, quality = 0.90: * H ASP 36 + H LEU 38 OK 83 100 - 83 - 1881/4.6=32, 2025=24...(11) H MET 67 + H LEU 38 OK 40 98 - 41 - 9699/4.4=15, 9386/4.4=12...(7) H PHE 79 - H LEU 38 lone 7 81 - 8 - 4.6/1883=2, 4.1/10986=2...(4) H ASP 31 - H LEU 38 lone 7 90 - 7 - 9273/9283=3 H LYS 123 - H LEU 38 lone 5 87 - 5 - 10998/4.4=2, 9386/4.4=2 Peak 2031 from nnoeabs.peaks (4.05, 8.20, 119.58 ppm; 3.86 A): 1 out of 1 assignment used, quality = 0.84: HA GLU 37 + H LEU 38 OK 84 84 - 100 - 3.6=100 Reference assignment not found: HA SER 35 - H LEU 38 Peak 2035 from nnoeabs.peaks (4.52, 7.83, 118.40 ppm; 4.39 A): 4 out of 6 assignments used, quality = 0.89: * HA ASP 36 + H LYS 39 OK 79 100 - 79 - 8035=19, 8039/4.0=15...(14) HA ASP 36 + H ILE 97 OK 29 92 - 32 - 8035=9, 3.6/2028=5...(11) HA GLU 103 + H LYS 39 OK 18 87 - 20 - 10934/4.9=3, 2041/4.7=3...(8) HA GLU 103 + H ILE 97 OK 11 75 - 14 - 10216/4.8=7, 3.6/1940=3 HA ASP 84 - H LYS 39 poor 7 70 - 11 - 2.9/211=3, 10026/4.8=3 HA ASP 84 - H ILE 97 lone 2 58 - 3 - Peak 2036 from nnoeabs.peaks (4.05, 7.83, 118.40 ppm; 4.34 A): 1 out of 1 assignment used, quality = 0.51: HA LYS 96 + H ILE 97 OK 51 51 - 100 - 3.6=100 Reference assignment not found: HA SER 35 - H LYS 39 Peak 2039 from nnoeabs.peaks (8.20, 7.78, 119.27 ppm; 5.13 A): 2 out of 4 assignments used, quality = 0.68: * H LEU 38 + H LYS 40 OK 64 100 - 64 - 4.5/218=24, 3.0/8048=23...(10) H ASP 84 + H LYS 40 OK 11 100 - 11 - 211/4.7=3, 2.9/2041=3...(5) H GLU 111 - H LYS 40 lone 3 92 - 3 - H GLU 89 - H LYS 40 lone 1 65 - 2 - Peak 2040 from nnoeabs.peaks (4.06, 7.78, 119.27 ppm; 3.19 A): 4 out of 8 assignments used, quality = 0.66: HA LYS 96 + H LYS 40 OK 46 98 - 47 - 3.6/218=9, 3.0/6091=9...(15) HA LYS 44 + H LYS 40 OK 18 100 - 18 - 2046/4.6=4, 8044/4.0=3...(5) * HA GLU 37 + H LYS 40 OK 15 100 - 15 - 3.6/2039=9, 8047/4.6=2...(5) HA SER 35 + H LYS 40 OK 10 84 - 12 - 8033/4.7=5, 8028/2039=2 HA GLU 69 - H LYS 40 lone 4 99 - 4 - 8044/4.0=1 HA2 GLY 125 - H LYS 40 lone 2 97 - 2 - HA3 GLY 125 - H LYS 40 lone 2 99 - 2 - HA GLU 91 - H LYS 40 lone 2 81 - 2 - Peak 2041 from nnoeabs.peaks (4.52, 7.78, 119.27 ppm; 5.05 A): 2 out of 3 assignments used, quality = 0.76: * HA ASP 36 + H LYS 40 OK 72 100 - 72 - 8040=37, 8039/4.3=18...(11) HA GLU 103 + H LYS 40 OK 14 87 - 15 - 2035/4.7=4, 8039/4.3=3...(4) HA ASP 84 - H LYS 40 poor 7 70 - 10 - 2.9/2039=5, 2035/4.7=1 Peak 2043 from nnoeabs.peaks (3.84, 8.72, 119.65 ppm; 6.20 A): 2 out of 3 assignments used, quality = 0.91: * HA LYS 39 + H GLU 41 OK 85 100 - 85 - 3.6/1885=46, 8055=43...(10) HA LYS 16 + H GLU 41 OK 40 100 - 40 - 2050/4.6=10, 2724/5.0=9...(7) HA2 GLY 75 - H GLU 41 poor 10 99 - 10 - 2050/4.6=6, 2056/2047=2 Peak 2045 from nnoeabs.peaks (3.91, 8.72, 119.65 ppm; 4.51 A): 2 out of 5 assignments used, quality = 0.65: * HA LEU 38 + H GLU 41 OK 59 100 - 59 - 8049=25, 8048/4.6=14...(8) HB2 SER 35 + H GLU 41 OK 16 96 - 17 - 9404/4.9=6, 8053/4.0=3...(5) HA GLU 128 - H GLU 41 lone 7 100 - 7 - 2051/4.6=2, 9404/4.9=1...(4) HA LEU 64 - H GLU 41 lone 7 99 - 7 - 2051/4.6=2, 9404/4.9=1 HA ARG 118 - H GLU 41 lone 1 65 - 1 - Peak 2046 from nnoeabs.peaks (4.06, 8.72, 119.65 ppm; 4.52 A): 4 out of 8 assignments used, quality = 0.84: HA LYS 96 + H GLU 41 OK 54 98 - 55 - 8044/4.6=14, 2040/4.6=14...(10) HA LYS 44 + H GLU 41 OK 52 100 - 53 - ~8070=17, 8047=11...(12) * HA GLU 37 + H GLU 41 OK 18 100 - 18 - 8047=6, 2040/4.6=4...(5) HA SER 35 + H GLU 41 OK 12 84 - 14 - 3.0/2045=6, 2040/4.6=3...(4) HA GLU 69 - H GLU 41 lone 8 99 - 8 - 8047=2, 8044/4.6=2...(4) HA2 GLY 125 - H GLU 41 lone 4 97 - 4 - 8044/4.6=1, 8328/4.6=1 HA3 GLY 125 - H GLU 41 lone 4 99 - 4 - 8044/4.6=1 HA GLU 91 - H GLU 41 lone 3 81 - 3 - Peak 2047 from nnoeabs.peaks (7.50, 8.72, 119.65 ppm; 5.47 A): 1 out of 1 assignment used, quality = 0.89: * H LYS 43 + H GLU 41 OK 89 100 - 89 - 2054=46, 1887/4.6=39...(12) Peak 2048 from nnoeabs.peaks (4.02, 8.78, 118.11 ppm; 6.20 A): 3 out of 12 assignments used, quality = 0.92: * HA LYS 40 + H MET 42 OK 87 100 - 87 - 3.6/238=46, 8063/4.7=35...(9) HA GLU 119 + H MET 42 OK 22 99 - 22 - 8063/4.7=6, 8062=6...(5) HA GLU 66 + H MET 42 OK 18 99 - 18 - 2.9/11316=8, 3.7/1267=3...(5) HA3 GLY 75 - H MET 42 poor 10 92 - 11 - 1.8/2050=7, 2055/4.7=2 HA GLU 13 - H MET 42 lone 8 99 - 8 - 4.8/7981=4 HA LYS 123 - H MET 42 lone 7 100 - 7 - 2055/4.7=2 HA PHE 120 - H MET 42 lone 6 100 - 6 - 2055/4.7=2 HB2 SER 126 - H MET 42 lone 5 100 - 5 - 10644/9412=2 HB3 SER 126 - H MET 42 lone 4 96 - 4 - 10644/9412=1 HA GLU 92 - H MET 42 lone 4 92 - 4 - HA GLU 87 - H MET 42 lone 3 84 - 4 - HA3 GLY 101 - H MET 42 lone 2 84 - 2 - Peak 2050 from nnoeabs.peaks (3.84, 8.78, 118.11 ppm; 4.36 A): 3 out of 3 assignments used, quality = 0.89: * HA LYS 39 + H MET 42 OK 80 100 - 80 - 8056=39, 8057/3.9=18...(13) HA LYS 16 + H MET 42 OK 32 100 - 32 - 8060/3.9=4, 8058/3.9=4...(11) HA2 GLY 75 + H MET 42 OK 18 99 - 18 - 8058/3.9=3, 8060/3.9=3...(7) Peak 2051 from nnoeabs.peaks (3.91, 8.78, 118.11 ppm; 5.94 A): 4 out of 5 assignments used, quality = 0.89: * HA LEU 38 + H MET 42 OK 81 100 - 81 - 8054=37, 3.8/9412=29...(10) HB2 SER 35 + H MET 42 OK 22 96 - 23 - 2045/4.6=7, 8053/4.7=5...(5) HA LEU 64 + H MET 42 OK 16 99 - 16 - ~8082=3, 2045/4.6=3...(7) HA GLU 128 + H MET 42 OK 12 100 - 12 - 2045/4.6=3, 8051/4.7=2...(4) HA ARG 118 - H MET 42 lone 3 65 - 4 - Peak 2052 from nnoeabs.peaks (7.45, 8.78, 118.11 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.70: * H LYS 44 + H MET 42 OK 70 100 - 70 - 2059=32, 1888/4.7=31...(4) Peak 2053 from nnoeabs.peaks (4.26, 7.50, 120.74 ppm; 5.56 A): 2 out of 7 assignments used, quality = 0.95: * HA GLU 41 + H LYS 43 OK 84 100 - 84 - 3.6/1887=46, 3.0/2047=36...(10) HA ALA 46 + H LYS 43 OK 66 90 - 74 - ~8086=30, ~8084=23...(8) HA GLU 47 - H LYS 43 poor 9 84 - 11 - 2060/4.6=6, 2066/2057=2 HA ASP 12 - H LYS 43 lone 5 92 - 5 - HA GLU 52 - H LYS 43 lone 2 99 - 2 - HA VAL 32 - H LYS 43 lone 2 77 - 2 - HA LEU 127 - H LYS 43 lone 1 61 - 2 - Peak 2054 from nnoeabs.peaks (8.72, 7.50, 120.74 ppm; 5.52 A): 1 out of 3 assignments used, quality = 0.90: * H GLU 41 + H LYS 43 OK 90 100 - 90 - 2047=50, 4.6/1887=39...(12) H ARG 105 - H LYS 43 lone 3 73 - 5 - 238/4.7=1 H ASN 50 - H LYS 43 lone 3 100 - 3 - Peak 2055 from nnoeabs.peaks (4.02, 7.50, 120.74 ppm; 3.81 A): 1 out of 12 assignments used, quality = 0.62: * HA LYS 40 + H LYS 43 OK 62 100 - 62 - 8063=31, 3.6/2047=15...(11) HA GLU 119 - H LYS 43 lone 10 99 - 10 - 8063=5, 8062/4.7=2 HA LYS 123 - H LYS 43 lone 5 100 - 5 - HA GLU 66 - H LYS 43 lone 5 99 - 5 - 2048/4.7=1 HA PHE 120 - H LYS 43 lone 4 100 - 4 - 10557/4.9=1 HA3 GLY 75 - H LYS 43 lone 4 92 - 4 - 1.8/2056=3 HA GLU 92 - H LYS 43 lone 2 92 - 2 - HA GLU 13 - H LYS 43 lone 2 99 - 2 - HB2 SER 126 - H LYS 43 lone 1 100 - 1 - HB3 SER 126 - H LYS 43 lone 1 96 - 1 - HA GLU 87 - H LYS 43 lone 1 84 - 1 - HA3 GLY 101 - H LYS 43 lone 1 84 - 1 - Peak 2056 from nnoeabs.peaks (3.84, 7.50, 120.74 ppm; 5.27 A): 3 out of 3 assignments used, quality = 0.88: * HA LYS 39 + H LYS 43 OK 81 100 - 81 - 8061=47, 8056/4.7=24...(12) HA LYS 16 + H LYS 43 OK 26 100 - 26 - 2050/4.7=8, 8060/4.6=6...(6) HA2 GLY 75 + H LYS 43 OK 19 99 - 19 - 8060/4.6=5, 8058/4.6=5...(6) Peak 2057 from nnoeabs.peaks (8.16, 7.50, 120.74 ppm; 5.52 A): 2 out of 2 assignments used, quality = 0.87: * H LEU 45 + H LYS 43 OK 81 100 - 81 - 4.6/1888=43, 2065/3.6=29...(12) H ARG 95 + H LYS 43 OK 34 100 - 34 - 8077/3.6=8, 1889/4.6=6...(10) Peak 2058 from nnoeabs.peaks (4.38, 7.45, 118.27 ppm; 6.20 A): 3 out of 3 assignments used, quality = 0.91: * HA MET 42 + H LYS 44 OK 86 100 - 86 - 3.6/1888=50, 3.0/2052=48...(9) HA SER 72 + H LYS 44 OK 24 65 - 36 - ~2122=9, ~8150=7...(7) HA GLU 48 + H LYS 44 OK 13 92 - 14 - 2065/4.6=9, 2071/2062=3 Peak 2059 from nnoeabs.peaks (8.78, 7.45, 118.27 ppm; 4.95 A): 1 out of 5 assignments used, quality = 0.82: * H MET 42 + H LYS 44 OK 82 100 - 82 - 2052=50, 4.7/1888=37...(4) H ILE 18 - H LYS 44 lone 4 98 - 4 - 244/4.6=1 H VAL 29 - H LYS 44 lone 4 100 - 4 - 244/4.6=3 H ILE 5 - H LYS 44 lone 2 81 - 2 - H ASN 59 - H LYS 44 lone 1 77 - 1 - Peak 2060 from nnoeabs.peaks (4.26, 7.45, 118.27 ppm; 3.92 A): 3 out of 7 assignments used, quality = 0.81: * HA GLU 41 + H LYS 44 OK 67 100 - 67 - 8070=31, 3.6/2052=22...(13) HA ALA 46 + H LYS 44 OK 29 90 - 32 - 3.0/2062=17, 2066/4.6=7...(7) HA GLU 47 + H LYS 44 OK 20 84 - 24 - ~2074=4, ~8093=4...(8) HA ASP 12 - H LYS 44 lone 3 92 - 3 - HA VAL 32 - H LYS 44 lone 1 77 - 2 - HA GLU 52 - H LYS 44 lone 1 99 - 1 - HA LEU 127 - H LYS 44 lone 1 61 - 1 - Peak 2062 from nnoeabs.peaks (7.64, 7.45, 118.27 ppm; 4.62 A): 2 out of 8 assignments used, quality = 0.76: * H ALA 46 + H LYS 44 OK 71 100 - 71 - 4.6/261=31, 2070/3.6=28...(11) H GLU 69 + H LYS 44 OK 16 92 - 18 - 8084/3.6=4, 2069=4...(5) H LEU 64 - H LYS 44 lone 5 90 - 5 - 1890/4.6=2 H GLN 100 - H LYS 44 lone 2 81 - 2 - HD21 ASN 50 - H LYS 44 lone 1 99 - 1 - HD21 ASN 10 - H LYS 44 lone 1 99 - 1 - HE21 GLN 85 - H LYS 44 lone 1 84 - 1 - H LYS 115 - H LYS 44 lone 1 57 - 2 - Peak 2065 from nnoeabs.peaks (4.38, 8.16, 117.78 ppm; 4.09 A): 2 out of 3 assignments used, quality = 0.78: * HA MET 42 + H LEU 45 OK 71 100 - 71 - 3.6/11317=16...(11) HA GLU 48 + H LEU 45 OK 23 92 - 25 - 8079/4.0=5, 8081/4.0=5...(8) HA SER 72 - H LEU 45 poor 9 65 - 14 - 3.6/11318=5, 2058/4.6=2...(7) Peak 2066 from nnoeabs.peaks (4.26, 8.16, 117.78 ppm; 4.54 A): 3 out of 7 assignments used, quality = 0.82: HA ALA 46 + H LEU 45 OK 56 90 - 63 - 3.0/1890=32, 2.1/9453=22...(9) * HA GLU 41 + H LEU 45 OK 41 100 - 42 - 8070/4.6=23, 8071/4.7=6...(7) HA GLU 47 + H LEU 45 OK 29 84 - 35 - 3.0/2073=18, ~2072=8...(6) HA ASP 12 - H LEU 45 lone 3 92 - 4 - HA VAL 32 - H LEU 45 lone 2 77 - 3 - 3.2/1297=1 HA LEU 127 - H LEU 45 lone 2 61 - 3 - HA GLU 52 - H LEU 45 lone 1 99 - 1 - Peak 2069 from nnoeabs.peaks (7.45, 7.64, 118.54 ppm; 5.98 A): 2 out of 2 assignments used, quality = 0.88: * H LYS 44 + H ALA 46 OK 86 100 - 86 - 261/4.6=44, 3.6/8084=37...(12) H LYS 44 + H GLU 69 OK 19 72 - 26 - 2062=8, 4.6/1890=6...(4) Peak 2070 from nnoeabs.peaks (4.09, 7.64, 118.54 ppm; 3.22 A): 1 out of 10 assignments used, quality = 0.53: * HA LYS 43 + H ALA 46 OK 53 100 - 53 - 8084=25, 8086/2.9=20...(8) HA LYS 20 - H ALA 46 lone 6 100 - 6 - 8086/2.9=2, 3.8/274=1 HA LYS 43 - H GLU 69 lone 6 72 - 8 - 8084=4, 3.6/2062=2 HA GLU 91 - H ALA 46 lone 3 77 - 4 - 8086/2.9=2 HA GLN 62 - H ALA 46 lone 1 70 - 2 - HA GLN 62 - H GLU 69 lone 1 43 - 2 - HA ASP 110 - H ALA 46 lone 1 97 - 1 - HA LYS 20 - H GLU 69 lone 1 72 - 1 - HA GLU 91 - H GLU 69 lone 1 48 - 1 - HA ASP 110 - H GLU 69 lone 0 66 - 1 - Peak 2071 from nnoeabs.peaks (4.38, 7.64, 118.54 ppm; 4.72 A): 3 out of 6 assignments used, quality = 0.79: * HA MET 42 + H ALA 46 OK 67 100 - 67 - 8080/4.3=19, 2065/4.6=19...(8) HA GLU 48 + H ALA 46 OK 23 92 - 25 - 8079/4.3=6, 2065/4.6=6...(6) HA SER 72 + H GLU 69 OK 17 40 - 43 - ~2122=11, ~8150=8...(8) HA SER 72 - H ALA 46 poor 9 65 - 13 - 3.6/1891=2, 2065/4.6=2...(6) HA MET 42 - H GLU 69 lone 7 72 - 10 - 8082=3, 2065/1890=2 HA GLU 48 - H GLU 69 lone 2 61 - 3 - Peak 2072 from nnoeabs.peaks (4.15, 7.71, 115.49 ppm; 5.35 A): 3 out of 8 assignments used, quality = 0.69: * HA LEU 45 + H GLU 47 OK 56 100 - 56 - 3.6/278=31, 3.0/2073=25...(4) HA LEU 70 + H GLU 47 OK 17 84 - 20 - 3.6/434=5, 3.8/5055=4...(5) HA ARG 95 + H GLU 47 OK 15 100 - 14 - 3.0/2073=9, 3.0/9462=3 HA GLU 89 - H GLU 47 lone 6 100 - 6 - HA LEU 63 - H GLU 47 lone 2 81 - 3 - HA ALA 124 - H GLU 47 lone 2 99 - 2 - HA GLN 122 - H GLU 47 lone 1 84 - 1 - HA VAL 22 - H GLU 47 lone 1 73 - 1 - Peak 2073 from nnoeabs.peaks (8.16, 7.71, 115.49 ppm; 5.37 A): 2 out of 2 assignments used, quality = 0.85: * H LEU 45 + H GLU 47 OK 79 100 - 79 - 1890/4.6=29, 9453/3.7=23...(11) H ARG 95 + H GLU 47 OK 29 100 - 29 - 9453/3.7=11, 271/4.6=8...(7) Peak 2074 from nnoeabs.peaks (4.06, 7.71, 115.49 ppm; 4.15 A): 4 out of 8 assignments used, quality = 0.72: * HA LYS 44 + H GLU 47 OK 41 100 - 41 - 3.6/2073=14, 8093/4.0=7...(9) HA GLU 69 + H GLU 47 OK 36 98 - 37 - 2.9/278=10, 2.9/7649=6...(8) HA GLU 37 + H GLU 47 OK 16 100 - 16 - 8093/4.0=4, 8091/4.0=4...(6) HA GLU 91 + H GLU 47 OK 11 87 - 12 - 8093/4.0=3, 8091/4.0=3...(5) HA LYS 96 - H GLU 47 lone 8 99 - 8 - 8093/4.0=1, 8091/4.0=1 HA3 GLY 125 - H GLU 47 lone 6 100 - 6 - 8093/4.0=2, 8091/4.0=2 HA2 GLY 125 - H GLU 47 lone 5 94 - 5 - 8093/4.0=2, 8091/4.0=2 HA SER 35 - H GLU 47 lone 1 77 - 2 - Peak 2078 from nnoeabs.peaks (3.72, 7.67, 120.07 ppm; 6.20 A): 2 out of 4 assignments used, quality = 0.85: * HA LYS 61 + H LEU 63 OK 81 100 - 81 - 3.6/1905=44, 8095=39...(7) HA LEU 114 + H LEU 63 OK 20 94 - 22 - 2083/4.6=11, 3.6/1906=2...(6) HA ILE 71 - H LEU 63 lone 6 77 - 8 - 2083/4.6=4, 3.6/2080=1 HA2 GLY 101 - H LEU 63 lone 6 100 - 6 - 2083/4.6=3 Peak 2080 from nnoeabs.peaks (8.04, 7.67, 120.07 ppm; 5.62 A): 6 out of 9 assignments used, quality = 0.91: * H LYS 65 + H LEU 63 OK 77 100 - 77 - 4.6/384=34, 8103/3.6=30...(10) H ARG 118 + H LEU 63 OK 26 87 - 31 - 8109/2.9=6, 1907/4.6=5...(10) H THR 9 + H LEU 63 OK 20 98 - 21 - 8103/3.6=4, 1907/4.6=4...(8) H VAL 22 + H LEU 63 OK 15 100 - 15 - 4.0/11314=3, 4.7/3128=3...(6) H LEU 90 + H LEU 63 OK 13 94 - 14 - 8109/2.9=4, 4.4/9671=2...(4) H ASP 109 + H LEU 63 OK 10 100 - 10 - 4.0/9673=2, 8109/2.9=2 H SER 72 - H LEU 63 lone 6 77 - 8 - 1907/4.6=2, 3.6/2078=2 H GLN 122 - H LEU 63 lone 5 73 - 6 - 8109/2.9=2, 8103/3.6=1 H GLY 26 - H LEU 63 lone 2 65 - 3 - Peak 2081 from nnoeabs.peaks (4.11, 7.63, 117.70 ppm; 4.21 A): 1 out of 7 assignments used, quality = 0.62: * HA GLN 62 + H LEU 64 OK 62 100 - 62 - 3.6/384=29, 8102=18...(5) HA ASP 110 - H LEU 64 lone 6 92 - 7 - 2087/4.6=1, 8235/1957=1 HA LYS 20 - H LEU 64 lone 6 65 - 10 - 3.6/384=5, 377/4.6=1 HA LYS 43 - H LEU 64 lone 3 70 - 4 - 3.6/2062=1 HB3 SER 72 - H LEU 64 lone 2 70 - 3 - 4.0/9802=1 HB2 SER 72 - H LEU 64 lone 2 70 - 3 - 4.0/9802=1 HA MET 1 - H LEU 64 lone 2 84 - 2 - Peak 2082 from nnoeabs.peaks (8.43, 7.63, 117.70 ppm; 5.15 A): 3 out of 5 assignments used, quality = 0.90: * H GLN 62 + H LEU 64 OK 82 100 - 82 - 1905/4.6=34, 2.9/2081=31...(11) H VAL 32 + H LEU 64 OK 30 97 - 31 - 4.0/9278=8, 3.9/1417=6...(8) H GLN 83 + H LEU 64 OK 19 100 - 19 - 522/4.7=4, 519/3.6=3...(8) H ASN 10 - H LEU 64 lone 6 98 - 6 - 4.6/1907=3, 376/4.6=1 H ILE 3 - H LEU 64 lone 2 92 - 2 - Peak 2083 from nnoeabs.peaks (3.72, 7.63, 117.70 ppm; 4.46 A): 4 out of 4 assignments used, quality = 0.92: * HA LYS 61 + H LEU 64 OK 81 100 - 81 - 8096=28, 8097/3.6=24...(11) HA LEU 114 + H LEU 64 OK 41 94 - 44 - 8098/3.6=7, 8100/3.6=7...(11) HA ILE 71 + H LEU 64 OK 13 77 - 17 - 9694/4.7=4, 8100/3.6=2...(7) HA2 GLY 101 + H LEU 64 OK 11 100 - 11 - 8100/3.6=3, 8098/3.6=2...(5) Peak 2084 from nnoeabs.peaks (7.80, 7.63, 117.70 ppm; 4.68 A): 1 out of 2 assignments used, quality = 0.76: * H GLU 66 + H LEU 64 OK 76 100 - 76 - 8110/3.6=30, 1908/4.6=25...(15) H LYS 96 - H LEU 64 lone 5 70 - 7 - 8110/3.6=2 Peak 2086 from nnoeabs.peaks (7.67, 8.04, 118.31 ppm; 3.81 A): 5 out of 9 assignments used, quality = 0.79: * H LEU 63 + H LYS 65 OK 48 100 - 48 - 384/4.6=18, 3.6/8103=16...(8) HE ARG 118 + H ARG 118 OK 30 65 - 46 - 7.0=16, 3.9/6875=10...(7) HE ARG 118 + H LYS 65 OK 29 99 - 29 - 2.9/6899=5, 2.9/6891=5...(9) H GLU 21 + H LYS 65 OK 12 98 - 12 - 9206=3, 384/4.6=3...(4) H LEU 63 + H ARG 118 OK 11 68 - 16 - 2.9/8109=3, 4.6/1907=2...(6) H LEU 63 - H THR 9 poor 8 79 - 10 - 3.6/8103=2, 2080=2...(5) H GLU 21 - H ARG 118 lone 3 64 - 5 - 9206=1 H GLU 21 - H THR 9 lone 3 74 - 5 - 9206=1 HE ARG 118 - H THR 9 lone 1 76 - 1 - Peak 2087 from nnoeabs.peaks (4.11, 8.04, 118.31 ppm; 3.96 A): 1 out of 21 assignments used, quality = 0.67: * HA GLN 62 + H LYS 65 OK 67 100 - 67 - 8103=33, 8108/4.6=20...(7) HA ASP 110 - H LYS 65 lone 7 92 - 8 - 2081/4.6=1, 3.0/695=1 HA GLN 62 - H THR 9 lone 7 79 - 9 - 8103=4, 3.6/2080=2 HA ASP 110 - H ARG 118 poor 7 57 - 12 - 8232/4.7=4, 3.0/695=2...(5) HA GLN 62 - H ARG 118 lone 6 68 - 9 - 8103=4, 3.6/2080=2...(4) HA ASP 110 - H THR 9 lone 4 67 - 6 - 10391/3.0=2, 3.0/695=2 HA LYS 20 - H LYS 65 lone 4 65 - 6 - 3.6/9206=3, 2081/4.6=1 HA LYS 43 - H LYS 65 lone 2 70 - 3 - HB2 SER 72 - H LYS 65 lone 2 70 - 3 - HB3 SER 72 - H LYS 65 lone 2 70 - 3 - HA MET 1 - H LYS 65 lone 2 84 - 2 - HA LYS 20 - H ARG 118 lone 1 37 - 4 - 3.6/9206=1 HA LYS 20 - H THR 9 lone 1 44 - 2 - HA LYS 43 - H ARG 118 lone 0 40 - 1 - HB2 SER 72 - H ARG 118 lone 0 40 - 1 - HB3 SER 72 - H ARG 118 lone 0 40 - 1 - HA MET 1 - H THR 9 lone 0 59 - 1 - HA MET 1 - H ARG 118 lone 0 50 - 1 - HA LYS 43 - H THR 9 lone 0 48 - 1 - HB2 SER 72 - H THR 9 lone 0 48 - 1 - HB3 SER 72 - H THR 9 lone 0 48 - 1 - Peak 2088 from nnoeabs.peaks (3.72, 8.04, 118.31 ppm; 4.59 A): 5 out of 12 assignments used, quality = 0.92: * HA LYS 61 + H LYS 65 OK 69 100 - 69 - 8097/4.2=22, 8096/4.6=16...(10) HA LEU 114 + H LYS 65 OK 41 94 - 44 - 8098/4.2=7, 2083/4.6=7...(15) HA LEU 114 + H ARG 118 OK 38 59 - 64 - 8258/4.4=23...(12) HA ILE 71 + H LYS 65 OK 20 77 - 26 - 9694/4.7=4, 3.0/1914=4...(10) HA LYS 61 + H ARG 118 OK 12 68 - 17 - 10515/4.3=3, 8101=3...(8) HA2 GLY 101 - H LYS 65 lone 10 100 - 9 - 8100/4.2=2, 8098/4.2=2...(4) HA LYS 61 - H THR 9 poor 8 79 - 10 - 8101=2, 9657/10747=2, 9694/396=1 HA LEU 114 - H THR 9 lone 5 69 - 7 - 3.9/396=2, 10445/3.9=1 HA ILE 71 - H THR 9 lone 2 54 - 4 - 10753/10747=1, 10752/9093=1 HA2 GLY 101 - H ARG 118 lone 2 68 - 3 - HA ILE 71 - H ARG 118 lone 2 45 - 4 - HA2 GLY 101 - H THR 9 lone 1 79 - 1 - Peak 2089 from nnoeabs.peaks (8.39, 8.04, 118.31 ppm; 4.31 A): 2 out of 15 assignments used, quality = 0.61: * H MET 67 + H LYS 65 OK 50 100 - 50 - 408/4.6=25, 2097/3.6=12...(8) H LYS 123 + H LYS 65 OK 21 98 - 22 - 1909/4.6=5, 8123/3.0=4...(6) H MET 67 - H ARG 118 lone 6 68 - 9 - 4.7/1908=2, 2097/2.9=2 H ASP 36 - H LYS 65 lone 5 98 - 5 - 1909/4.6=1, 8117/3.6=1 H PHE 79 - H LYS 65 lone 4 57 - 8 - 6.5/11668=4, 8123/3.0=1 H MET 67 - H THR 9 lone 3 79 - 3 - 4.7/1908=1 H LYS 123 - H THR 9 lone 2 74 - 2 - H ASP 31 - H LYS 65 lone 2 70 - 3 - H LYS 123 - H ARG 118 lone 1 64 - 2 - H ASP 36 - H ARG 118 lone 1 64 - 2 - H ASP 31 - H THR 9 lone 1 48 - 1 - H ASP 36 - H THR 9 lone 1 74 - 1 - H PHE 79 - H THR 9 lone 0 38 - 1 - H PHE 79 - H ARG 118 lone 0 32 - 1 - H ASP 31 - H ARG 118 lone 0 40 - 1 - Peak 2090 from nnoeabs.peaks (3.91, 7.80, 119.36 ppm; 5.93 A): 4 out of 5 assignments used, quality = 0.95: * HA LEU 64 + H GLU 66 OK 87 100 - 87 - 2.9/2084=42, 3.6/1908=40...(12) HA LEU 38 + H GLU 66 OK 37 99 - 37 - 3.8/9696=17, 2097/4.7=11...(6) HA GLU 128 + H GLU 66 OK 30 100 - 30 - 8116=9, 8117/4.7=8...(7) HB2 SER 35 + H GLU 66 OK 11 87 - 13 - 2097/4.7=3, 10798/9696=3...(4) HA ARG 118 - H GLU 66 poor 8 81 - 10 - 2.9/1908=4, 2097/4.7=2 Peak 2091 from nnoeabs.peaks (7.63, 7.80, 119.36 ppm; 6.20 A): 3 out of 10 assignments used, quality = 0.99: * H LEU 64 + H GLU 66 OK 94 100 - 94 - 2084=47, 3.6/8110=43...(15) H GLU 69 + H GLU 66 OK 76 100 - 77 - 4.6/2094=36, 2107/2.9=18...(14) H LYS 115 + H GLU 66 OK 46 94 - 49 - 8129/3.6=13, 5.0/7625=9...(12) HE21 GLN 85 - H GLU 66 OK 32 100 - 32 - 4.4/4889=4, 3.5/1436=4...(15) H ALA 46 - H GLU 66 OK 19 90 - 21 - 2106/4.7=4, 2.9/402=3...(8) H GLN 100 - H GLU 66 OK 17 100 - 17 - 2099/4.7=3, 1911/2094=2...(6) H ASP 34 - H GLU 66 OK 14 92 - 15 - 2099/4.7=2, 9318/4.9=2...(5) HD21 ASN 50 - H GLU 66 lone 5 97 - 5 - H LEU 74 - H GLU 66 lone 4 70 - 6 - 11374/3.7=1 HD21 ASN 10 - H GLU 66 lone 2 77 - 3 - Peak 2092 from nnoeabs.peaks (4.13, 7.80, 119.36 ppm; 3.84 A): 4 out of 11 assignments used, quality = 0.84: * HA LEU 63 + H GLU 66 OK 69 100 - 69 - 8110=34, 3.6/2084=18...(12) HA ARG 95 + H GLU 66 OK 23 73 - 31 - ~8202=3, ~8199=3...(14) HA GLN 122 + H GLU 66 OK 21 100 - 21 - 3.6/1909=5, 3.0/398=3...(9) HA GLU 89 + H GLU 66 OK 15 84 - 18 - 3.0/4889=3, 3.0/4889=3...(6) HA VAL 22 - H GLU 66 lone 7 100 - 7 - 11450/3.7=1, 8114/3.7=1 HA ALA 124 - H GLU 66 lone 5 92 - 6 - 2098/4.7=1 HB3 SER 72 - H GLU 66 lone 4 87 - 5 - 1.8/2093=1 HB2 SER 72 - H GLU 66 lone 4 87 - 5 - 1.8/2093=1 HA LEU 45 - H GLU 66 lone 4 81 - 5 - HA MET 1 - H GLU 66 lone 2 73 - 3 - HA3 GLY 26 - H GLU 66 lone 1 96 - 1 - Peak 2093 from nnoeabs.peaks (4.11, 7.80, 119.36 ppm; 3.55 A): 1 out of 7 assignments used, quality = 0.55: * HA GLN 62 + H GLU 66 OK 55 100 - 55 - 8108=39, 8103/4.6=10...(5) HA ASP 110 - H GLU 66 lone 2 92 - 2 - HA LYS 43 - H GLU 66 lone 2 70 - 3 - HA MET 1 - H GLU 66 lone 2 84 - 2 - HB3 SER 72 - H GLU 66 lone 2 70 - 2 - HB2 SER 72 - H GLU 66 lone 2 70 - 2 - HA LYS 20 - H GLU 66 lone 1 65 - 2 - Peak 2094 from nnoeabs.peaks (8.47, 7.80, 119.36 ppm; 5.15 A): 1 out of 1 assignment used, quality = 0.87: * H LEU 68 + H GLU 66 OK 87 100 - 87 - 1910/4.7=36, 8124/3.6=33...(13) Peak 2095 from nnoeabs.peaks (3.79, 8.39, 118.40 ppm; 5.13 A): 3 out of 5 assignments used, quality = 0.90: * HA LYS 65 + H MET 67 OK 75 100 - 75 - 3.6/408=42, 8124/4.6=27...(8) HA LEU 68 + H MET 67 OK 54 77 - 70 - 3.0/1910=47, 3.6/2106=13...(9) HB2 SER 58 + H MET 67 OK 15 81 - 19 - 9728/6.2=10, 9730/5.1=6 HA LYS 115 - H MET 67 poor 10 98 - 10 - 8261/2089=3, 3.0/2099=2...(5) HA ALA 113 - H MET 67 lone 4 98 - 4 - Peak 2097 from nnoeabs.peaks (3.91, 8.39, 118.40 ppm; 4.07 A): 4 out of 5 assignments used, quality = 0.85: * HA LEU 64 + H MET 67 OK 60 100 - 60 - 8117=13, 3.6/2089=13...(13) HA LEU 38 + H MET 67 OK 43 99 - 43 - 3.8/9699=14, 3.8/9386=9...(8) HA GLU 128 + H MET 67 OK 27 100 - 27 - 8117=6, 8121/4.0=5...(9) HB2 SER 35 + H MET 67 OK 12 87 - 14 - 4.0/1880=3, 3552/9699=2...(7) HA ARG 118 - H MET 67 lone 7 81 - 9 - 2.9/2089=2, 8121/4.0=1 Peak 2098 from nnoeabs.peaks (4.13, 8.39, 118.40 ppm; 5.68 A): 3 out of 11 assignments used, quality = 0.94: * HA LEU 63 + H MET 67 OK 85 100 - 85 - 8110/4.7=34, 8113/4.1=25...(15) HA GLN 122 + H MET 67 OK 42 100 - 43 - 3.0/1965=9, 3.9/7934=6...(13) HA ALA 124 + H MET 67 OK 30 92 - 32 - 3.0/784=8, ~8143=6...(9) HA ARG 95 - H MET 67 OK 20 73 - 27 - 2092/4.7=6, 8219/5.0=4...(8) HA GLU 89 - H MET 67 OK 17 84 - 20 - 11069/5.0=4, 11070/5.0=4...(7) HA VAL 22 - H MET 67 OK 17 100 - 16 - ~9703=3, ~10855=3...(7) HA LEU 45 - H MET 67 OK 12 81 - 14 - 3.6/2106=4, 4.0/9701=2...(6) HB2 SER 72 - H MET 67 lone 6 87 - 7 - 2092/4.7=1 HB3 SER 72 - H MET 67 lone 6 87 - 7 - 2092/4.7=1 HA MET 1 - H MET 67 lone 5 73 - 7 - 10997/9699=2 HA3 GLY 26 - H MET 67 lone 3 96 - 3 - Peak 2099 from nnoeabs.peaks (7.63, 8.39, 118.40 ppm; 6.08 A): 2 out of 10 assignments used, quality = 0.98: * H GLU 69 + H MET 67 OK 89 100 - 89 - 4.6/1910=44, 2106=25...(18) H LEU 64 + H MET 67 OK 84 100 - 84 - 2084/4.7=35, 2.9/8117=22...(16) H GLN 100 - H MET 67 OK 36 99 - 36 - 11179/2.9=17, 4.0/1440=4...(9) H ALA 46 - H MET 67 OK 27 92 - 29 - 2106=6, 2105/2.9=5...(10) HE21 GLN 85 - H MET 67 OK 25 100 - 25 - 3.5/7933=4, 3.5/7933=4...(11) H ASP 34 - H MET 67 OK 24 90 - 27 - 4.0/9329=5, 4.0/9328=4...(9) H LYS 115 - H MET 67 OK 20 92 - 22 - 2091/4.7=4, 1911/4.6=3...(7) H LEU 74 - H MET 67 lone 6 65 - 8 - 8137/2.9=1, 11374/4.1=1 HD21 ASN 50 - H MET 67 lone 5 98 - 5 - HD21 ASN 10 - H MET 67 lone 3 81 - 3 - Peak 2100 from nnoeabs.peaks (4.03, 8.47, 118.27 ppm; 4.90 A): 2 out of 12 assignments used, quality = 0.84: * HA GLU 66 + H LEU 68 OK 79 100 - 79 - 3.6/1910=41, 2.9/2094=31...(13) HA LYS 123 + H LEU 68 OK 21 100 - 21 - 3.0/414=5, 2107/4.6=5...(5) HA GLU 92 - H LEU 68 lone 9 98 - 10 - 2107/4.6=5 HA PHE 120 - H LEU 68 lone 8 99 - 8 - 8296/4.6=4, 8296/414=1 HA LYS 40 - H LEU 68 lone 4 99 - 4 - 2107/4.6=1 HA GLU 13 - H LEU 68 lone 3 100 - 3 - HA GLU 87 - H LEU 68 lone 3 94 - 3 - HA GLU 119 - H LEU 68 lone 2 100 - 2 - HB2 SER 126 - H LEU 68 lone 2 100 - 2 - HB3 SER 126 - H LEU 68 lone 2 99 - 2 - HA3 GLY 101 - H LEU 68 lone 1 70 - 2 - HA3 GLY 75 - H LEU 68 lone 1 81 - 1 - Peak 2101 from nnoeabs.peaks (7.80, 8.47, 118.27 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.95: * H GLU 66 + H LEU 68 OK 95 100 - 95 - 2094=50, 4.7/1910=45...(13) H LYS 96 - H LEU 68 lone 6 70 - 8 - 408/4.6=2 Peak 2102 from nnoeabs.peaks (3.79, 8.47, 118.27 ppm; 3.39 A): 1 out of 1 assignment used, quality = 0.77: HA LEU 68 + H LEU 68 OK 77 77 - 100 - 3.0=100 Reference assignment not found: HA LYS 65 - H LEU 68 Peak 2103 from nnoeabs.peaks (3.91, 8.47, 118.27 ppm; 5.39 A): 5 out of 5 assignments used, quality = 0.93: * HA LEU 64 + H LEU 68 OK 77 100 - 77 - 8122=22, 11053/4.8=18...(14) HA GLU 128 + H LEU 68 OK 38 100 - 38 - 8122=11, 8121/4.6=7...(10) HA LEU 38 + H LEU 68 OK 37 99 - 37 - 2097/4.6=10, 8121/4.6=8...(8) HB2 SER 35 + H LEU 68 OK 15 87 - 18 - 2097/4.6=3, 8121/4.6=3...(7) HA ARG 118 + H LEU 68 OK 11 81 - 14 - 2097/4.6=2, ~8148=2...(6) Peak 2104 from nnoeabs.peaks (7.72, 8.47, 118.27 ppm; 5.91 A): 3 out of 3 assignments used, quality = 0.94: * H LEU 70 + H LEU 68 OK 89 100 - 89 - 2111=50, 4.6/421=38...(9) H LYS 73 + H LEU 68 OK 32 98 - 33 - 8144/3.0=10, 1916/4.6=7...(7) H GLU 47 + H LEU 68 OK 28 99 - 28 - 278/4.6=11, 8144/3.0=5...(5) Peak 2105 from nnoeabs.peaks (3.95, 7.63, 118.68 ppm; 4.92 A): 4 out of 10 assignments used, quality = 0.84: * HA MET 67 + H GLU 69 OK 73 100 - 73 - 3.6/421=36, 8138/4.6=18...(10) HA ILE 97 + H GLU 69 OK 18 92 - 20 - 9753/4.9=6, 2112/4.6=5, 11311=4 HB3 SER 35 + H GLU 69 OK 15 100 - 15 - 2112/4.6=5, 4.4/2106=2...(5) HA MET 67 + H ALA 46 OK 14 72 - 20 - 3.6/421=4, 8137=4...(6) HA GLU 21 - H GLU 69 lone 4 77 - 4 - 2112/4.6=2 HA MET 121 - H GLU 69 lone 2 70 - 4 - HB3 SER 35 - H ALA 46 lone 2 72 - 2 - HA MET 121 - H ALA 46 lone 1 43 - 3 - HA ILE 97 - H ALA 46 lone 1 61 - 2 - HA GLU 21 - H ALA 46 lone 1 48 - 1 - Peak 2106 from nnoeabs.peaks (8.39, 7.63, 118.68 ppm; 5.96 A): 4 out of 10 assignments used, quality = 0.94: * H MET 67 + H GLU 69 OK 86 100 - 86 - 1910/4.6=43, 2.9/2105=24...(17) H LYS 123 + H GLU 69 OK 32 98 - 33 - 3.0/2107=8, 4.6/2109=5...(8) H MET 67 + H ALA 46 OK 20 72 - 27 - 2.9/2105=5, 4.6/421=5...(10) H ASP 36 + H GLU 69 OK 16 98 - 16 - 4.4/2105=4, 414/4.6=3...(5) H LYS 123 - H ALA 46 lone 7 68 - 10 - 10613/4.3=2, 3.0/2107=1 H PHE 79 - H GLU 69 lone 4 57 - 7 - 4.7/2109=3 H ASP 36 - H ALA 46 lone 3 68 - 4 - H ASP 31 - H GLU 69 lone 2 70 - 3 - H PHE 79 - H ALA 46 lone 1 34 - 3 - H ASP 31 - H ALA 46 lone 1 43 - 2 - Peak 2107 from nnoeabs.peaks (4.03, 7.63, 118.68 ppm; 3.39 A): 3 out of 24 assignments used, quality = 0.58: * HA GLU 66 + H GLU 69 OK 39 100 - 40 - 8131=9, 8133/4.0=7...(15) HA LYS 123 + H GLU 69 OK 17 100 - 17 - 8131=4, 3.6/2109=2...(7) HA GLU 92 + H GLU 69 OK 16 98 - 16 - 8133/4.0=3, 8131=3...(5) HA GLU 66 - H ALA 46 lone 6 72 - 8 - 8131=2, 3.6/2106=1 HA GLU 87 - H ALA 46 lone 6 63 - 9 - ~11299=3, ~11300=3...(4) HA LYS 40 - H GLU 69 lone 4 99 - 4 - HA LYS 123 - H ALA 46 lone 3 72 - 4 - HA PHE 120 - H GLU 69 lone 3 99 - 3 - HA GLU 13 - H GLU 69 lone 2 100 - 2 - HA GLU 87 - H GLU 69 lone 2 94 - 2 - HA GLU 92 - H ALA 46 lone 2 68 - 3 - HA GLU 119 - H GLU 69 lone 2 100 - 2 - HA3 GLY 101 - H GLU 69 lone 1 70 - 2 - 2.9/638=1 HA LYS 40 - H ALA 46 lone 1 70 - 2 - HA PHE 120 - H ALA 46 lone 1 70 - 1 - HB3 SER 126 - H GLU 69 lone 1 99 - 1 - HB2 SER 126 - H GLU 69 lone 1 100 - 1 - HA GLU 13 - H ALA 46 lone 1 72 - 1 - HA3 GLY 75 - H GLU 69 lone 1 81 - 1 - HA GLU 119 - H ALA 46 lone 1 72 - 1 - HB2 SER 126 - H ALA 46 lone 0 71 - 1 - HB3 SER 126 - H ALA 46 lone 0 70 - 1 - HA3 GLY 101 - H ALA 46 lone 0 43 - 1 - HA3 GLY 75 - H ALA 46 lone 0 51 - 0 - Peak 2108 from nnoeabs.peaks (3.79, 7.63, 118.68 ppm; 3.85 A): 1 out of 1 assignment used, quality = 0.77: HA LEU 68 + H GLU 69 OK 77 77 - 100 - 3.6=100 Reference assignment not found: HA LYS 65 - H GLU 69 Peak 2109 from nnoeabs.peaks (8.60, 7.63, 118.68 ppm; 5.05 A): 5 out of 16 assignments used, quality = 0.76: * H ILE 71 + H GLU 69 OK 52 100 - 52 - 1913/4.6=24, 2117/3.6=21...(6) H ALA 124 + H GLU 69 OK 23 100 - 23 - 3.6/2107=7, 4.6/2106=4...(6) H LYS 94 + H GLU 69 OK 19 96 - 20 - 1913/4.6=4, 8145/3.6=3...(7) H LYS 94 + H ALA 46 OK 12 65 - 18 - 4.5/271=4, 10097/4.9=3...(7) H LEU 80 + H GLU 69 OK 11 100 - 11 - 8145/3.6=6, 3.8/423=2 H ILE 71 - H ALA 46 poor 9 72 - 12 - 434/4.6=4, 4.6/428=3 H ALA 124 - H ALA 46 lone 4 71 - 6 - 3.6/2107=1 H LYS 49 - H GLU 69 lone 4 94 - 4 - 8145/3.6=1 H THR 108 - H GLU 69 lone 3 98 - 3 - H LYS 49 - H ALA 46 lone 3 63 - 4 - 3.6/2071=3 H ASP 12 - H GLU 69 lone 2 87 - 2 - H GLN 85 - H GLU 69 lone 1 61 - 2 - H LEU 80 - H ALA 46 lone 1 71 - 2 - H THR 108 - H ALA 46 lone 1 68 - 1 - H ASP 12 - H ALA 46 lone 1 56 - 1 - H GLN 85 - H ALA 46 lone 0 37 - 1 - Peak 2110 from nnoeabs.peaks (3.78, 7.72, 119.50 ppm; 5.24 A): 3 out of 3 assignments used, quality = 0.81: * HA LEU 68 + H LEU 70 OK 71 100 - 71 - 3.0/2111=34, 3.6/428=28...(6) HA LYS 65 + H LEU 70 OK 25 77 - 32 - 8124/2111=9, 8129/4.6=7...(7) HB2 SER 58 + H LEU 70 OK 13 100 - 13 - 2117/4.6=8, 2123/2114=2 Peak 2111 from nnoeabs.peaks (8.47, 7.72, 119.50 ppm; 5.29 A): 1 out of 1 assignment used, quality = 0.77: * H LEU 68 + H LEU 70 OK 77 100 - 77 - 421/4.6=33, 3.6/8138=25...(9) Peak 2112 from nnoeabs.peaks (3.95, 7.72, 119.50 ppm; 4.21 A): 3 out of 5 assignments used, quality = 0.87: * HA MET 67 + H LEU 70 OK 77 100 - 77 - 8138=24, 3.6/2111=20...(12) HA ILE 97 + H LEU 70 OK 24 92 - 27 - 8142/3.8=5, 8140/3.8=5...(7) HB3 SER 35 + H LEU 70 OK 24 100 - 24 - 8142/3.8=4, 8140/3.8=4...(8) HA GLU 21 - H LEU 70 lone 7 77 - 9 - 8142/3.8=1, 8140/3.8=1...(4) HA MET 121 - H LEU 70 lone 3 70 - 5 - Peak 2114 from nnoeabs.peaks (8.02, 7.72, 119.50 ppm; 4.94 A): 2 out of 7 assignments used, quality = 0.71: * H SER 72 + H LEU 70 OK 64 100 - 64 - 1914/4.6=24, 2122/3.6=20...(8) H LYS 65 + H LEU 70 OK 20 77 - 26 - 3.0/2110=7, 1914/4.6=4...(9) H ILE 116 - H LEU 70 lone 5 61 - 8 - 4.6/428=2 H ARG 118 - H LEU 70 lone 4 100 - 4 - H VAL 22 - H LEU 70 lone 4 81 - 5 - 3.6/2112=2 H ASP 109 - H LEU 70 lone 3 84 - 4 - H GLY 26 - H LEU 70 lone 3 100 - 3 - Peak 2117 from nnoeabs.peaks (3.78, 8.60, 116.79 ppm; 4.18 A): 3 out of 3 assignments used, quality = 0.81: * HA LEU 68 + H ILE 71 OK 66 100 - 66 - 8145=20, 8147/3.9=14...(10) HB2 SER 58 + H ILE 71 OK 31 100 - 31 - 8147/3.9=7, 9785/4.6=6...(7) HA LYS 65 + H ILE 71 OK 21 77 - 27 - 3.0/1914=5, 8147/3.9=4...(10) Peak 2118 from nnoeabs.peaks (3.95, 8.60, 116.79 ppm; 5.70 A): 4 out of 5 assignments used, quality = 0.94: * HA MET 67 + H ILE 71 OK 84 100 - 85 - 8143=29, 8138/4.6=24...(13) HA ILE 97 + H ILE 71 OK 38 92 - 41 - 8142/4.5=8, 8140/4.5=8...(8) HB3 SER 35 + H ILE 71 OK 32 100 - 32 - 8142/4.5=7, 9769/4.7=7...(7) HA GLU 21 + H ILE 71 OK 11 77 - 14 - 2112/4.6=2, 9769/4.7=2...(7) HA MET 121 - H ILE 71 poor 8 70 - 11 - 3.6/2233=4, 8303=2 Peak 2122 from nnoeabs.peaks (4.05, 8.02, 116.52 ppm; 3.94 A): 2 out of 9 assignments used, quality = 0.60: * HA GLU 69 + H SER 72 OK 48 100 - 49 - 8150=16, 3.6/2114=12...(8) HA LYS 44 + H SER 72 OK 23 98 - 24 - 8150=8, 2127/4.6=4...(7) HA GLU 37 - H SER 72 lone 7 99 - 7 - 8150=2, 8154/4.0=1...(4) HA LYS 96 - H SER 72 lone 5 92 - 5 - 2127/4.6=1 HA2 GLY 125 - H SER 72 lone 2 100 - 2 - HA3 GLY 125 - H SER 72 lone 2 96 - 2 - HA SER 35 - H SER 72 lone 1 94 - 2 - HA GLU 91 - H SER 72 lone 1 65 - 1 - HA GLU 87 - H SER 72 lone 0 57 - 1 - Peak 2123 from nnoeabs.peaks (3.78, 8.02, 116.52 ppm; 4.92 A): 3 out of 3 assignments used, quality = 0.76: * HA LEU 68 + H SER 72 OK 60 100 - 60 - 8147/4.5=17, 2117/4.7=16...(10) HB2 SER 58 + H SER 72 OK 28 100 - 28 - 8147/4.5=9, 2117/4.7=8...(5) HA LYS 65 + H SER 72 OK 15 77 - 19 - 2117/4.7=5, 8147/4.5=5...(5) Peak 2124 from nnoeabs.peaks (3.74, 7.72, 120.73 ppm; 5.55 A): 1 out of 3 assignments used, quality = 0.84: * HA ILE 71 + H LYS 73 OK 84 100 - 84 - 3.6/448=39, 3.0/2125=26...(14) HA LYS 61 - H LYS 73 lone 3 77 - 3 - HA2 GLY 101 - H LYS 73 lone 1 77 - 2 - Peak 2125 from nnoeabs.peaks (8.60, 7.72, 120.73 ppm; 5.38 A): 2 out of 8 assignments used, quality = 0.89: * H ILE 71 + H LYS 73 OK 88 100 - 88 - 3.0/2124=32, 4.7/448=32...(18) H ALA 124 + H LYS 73 OK 12 100 - 12 - 441/4.6=4, 3.0/2126=2 H LYS 94 - H LYS 73 lone 8 96 - 9 - 441/4.6=2, 7657/5055=1 H LEU 80 - H LYS 73 lone 5 100 - 5 - 441/4.6=2 H LYS 49 - H LYS 73 lone 3 94 - 4 - H THR 108 - H LYS 73 lone 3 98 - 3 - 441/4.6=1 H ASP 12 - H LYS 73 lone 2 87 - 2 - H GLN 85 - H LYS 73 lone 1 61 - 2 - Peak 2126 from nnoeabs.peaks (4.16, 7.72, 120.73 ppm; 4.09 A): 2 out of 5 assignments used, quality = 0.68: * HA LEU 70 + H LYS 73 OK 62 100 - 62 - 11081/4.9=15...(11) HA LEU 45 + H LYS 73 OK 16 84 - 19 - 3.0/11318=4, 3.0/1481=3...(8) HA ARG 95 - H LYS 73 lone 5 90 - 5 - 11080/4.9=1 HA ALA 124 - H LYS 73 lone 4 70 - 6 - 3.0/2125=2 HA GLU 89 - H LYS 73 lone 1 81 - 1 - Peak 2127 from nnoeabs.peaks (4.05, 7.72, 120.73 ppm; 4.58 A): 2 out of 9 assignments used, quality = 0.65: * HA GLU 69 + H LYS 73 OK 51 100 - 51 - 2122/4.6=14, 8151/4.6=9...(9) HA LYS 44 + H LYS 73 OK 28 98 - 29 - 2122/4.6=7, 3.6/11318=5...(8) HA LYS 96 - H LYS 73 lone 9 92 - 10 - 2122/4.6=1 HA GLU 37 - H LYS 73 lone 7 99 - 7 - 2122/4.6=2, 8152/4.6=2 HA SER 35 - H LYS 73 lone 3 94 - 3 - HA2 GLY 125 - H LYS 73 lone 3 100 - 3 - HA3 GLY 125 - H LYS 73 lone 3 96 - 3 - HA GLU 91 - H LYS 73 lone 1 65 - 2 - HA GLU 87 - H LYS 73 lone 1 57 - 1 - Peak 2129 from nnoeabs.peaks (8.05, 8.53, 118.84 ppm; 5.35 A): 4 out of 7 assignments used, quality = 0.75: * H LEU 90 + H ASN 88 OK 62 100 - 62 - 4.6/554=34, 8164/3.6=23...(7) H GLN 122 + H ASN 88 OK 15 97 - 15 - 8164/3.6=5, 771/5.0=2...(5) H THR 9 + H ASN 88 OK 12 100 - 12 - 4.6/548=4, 1932/4.6=3...(5) H ASP 109 + H ASN 88 OK 11 90 - 12 - 8164/3.6=6, 1932/4.6=4 H LYS 65 - H ASN 88 lone 6 94 - 7 - 1932/4.6=2, 8164/3.6=2 H VAL 22 - H ASN 88 lone 2 92 - 3 - H HIS 131 - H ASN 88 lone 2 87 - 2 - Peak 2130 from nnoeabs.peaks (4.04, 8.22, 120.95 ppm; 5.66 A): 2 out of 13 assignments used, quality = 0.95: * HA GLU 87 + H GLU 89 OK 79 100 - 79 - 3.6/554=43, 3.0/2131=29...(13) HA GLU 92 + H GLU 89 OK 77 100 - 77 - ~8178=18, ~8180=15...(15) HA GLU 66 - H GLU 89 OK 23 94 - 25 - 2135/4.6=3, ~2092=3...(15) HA SER 35 - H GLU 89 poor 10 90 - 11 - 2.9/9330=4, 2135/4.6=1...(4) HA GLU 119 - H GLU 89 lone 8 96 - 9 - 8289/4.6=3, ~8182=1, ~8181=1 HA GLU 13 - H GLU 89 lone 7 94 - 7 - HA2 GLY 125 - H GLU 89 lone 6 70 - 8 - 3.0/2132=3, ~8177=3 HA PHE 120 - H GLU 89 lone 5 84 - 6 - 2135/4.6=3 HA LYS 123 - H GLU 89 lone 4 92 - 4 - 2135/4.6=1 HA GLU 69 - H GLU 89 lone 3 57 - 5 - HB3 SER 126 - H GLU 89 lone 3 99 - 3 - HA LYS 40 - H GLU 89 lone 3 84 - 3 - HB2 SER 126 - H GLU 89 lone 2 87 - 2 - Peak 2131 from nnoeabs.peaks (8.64, 8.22, 120.95 ppm; 5.41 A): 2 out of 3 assignments used, quality = 0.75: * H GLU 87 + H GLU 89 OK 71 100 - 72 - 4.6/554=34, 3.6/10071=27...(11) H ASN 8 + H GLU 89 OK 13 96 - 14 - 548/4.6=4, 4.6/1932=3...(5) H VAL 104 - H GLU 89 lone 9 94 - 9 - 548/4.6=3, 661/5.2=2, 662/5.2=1 Peak 2132 from nnoeabs.peaks (7.94, 8.22, 120.95 ppm; 6.20 A): 3 out of 5 assignments used, quality = 0.92: * H GLU 91 + H GLU 89 OK 90 100 - 90 - 8171/3.6=39, 8177/3.0=36...(8) H GLY 125 + H GLU 89 OK 14 94 - 14 - 8177/3.0=5, 1933/4.6=3...(4) HD21 ASN 33 + H GLU 89 OK 10 100 - 10 - 8177/3.0=2, 8171/3.6=2...(4) H GLY 101 - H GLU 89 lone 10 99 - 10 - 8177/3.0=3, 8171/3.6=2 H GLY 75 - H GLU 89 lone 3 77 - 4 - Peak 2135 from nnoeabs.peaks (4.04, 8.05, 119.58 ppm; 5.47 A): 2 out of 13 assignments used, quality = 0.93: * HA GLU 87 + H LEU 90 OK 88 100 - 88 - 8165/4.0=35, 8167/4.0=33...(10) HA GLU 92 + H LEU 90 OK 45 100 - 45 - 2130/4.6=9, ~8185=7...(14) HA GLU 66 - H LEU 90 OK 26 94 - 27 - 11573/4.4=5, 2.9/398=5...(10) HA PHE 120 - H LEU 90 OK 23 84 - 27 - 3.0/2223=9, 10556/4.0=8...(5) HA GLU 119 - H LEU 90 OK 22 96 - 23 - 3.6/2223=8, 11573/4.4=4...(6) HA LYS 123 - H LEU 90 OK 13 92 - 14 - 3.6/2240=4, 3.0/776=3, 8289=1 HA SER 35 - H LEU 90 OK 12 90 - 14 - 9337/4.4=4, 11493/4.4=3...(5) HA GLU 13 - H LEU 90 lone 6 94 - 6 - HA LYS 40 - H LEU 90 lone 5 84 - 6 - HB3 SER 126 - H LEU 90 lone 5 99 - 5 - HA2 GLY 125 - H LEU 90 lone 5 70 - 6 - 3.0/1933=3 HB2 SER 126 - H LEU 90 lone 3 87 - 3 - HA GLU 69 - H LEU 90 lone 3 57 - 5 - Peak 2137 from nnoeabs.peaks (4.15, 7.94, 119.03 ppm; 4.97 A): 4 out of 8 assignments used, quality = 0.89: * HA GLU 89 + H GLU 91 OK 78 100 - 78 - 8177=38, 3.6/1933=31...(8) HA GLN 122 + H GLU 91 OK 27 87 - 31 - 8308=14, 3.0/566=7...(7) HA ARG 95 + H GLU 91 OK 19 100 - 19 - 8223/4.6=9, ~8197=5, 8221/4.0=2 HA ALA 124 + H GLU 91 OK 13 100 - 13 - 3.0/1967=6, 2144/4.6=3, ~8192=2 HA LEU 63 - H GLU 91 lone 7 84 - 8 - 11252/4.6=2, 8109/4.6=2 HA LEU 70 - H GLU 91 lone 3 81 - 4 - 3.8/571=1, 3.8/571=1 HA LEU 45 - H GLU 91 lone 3 100 - 3 - HA VAL 22 - H GLU 91 lone 2 77 - 2 - Peak 2138 from nnoeabs.peaks (8.22, 7.94, 119.03 ppm; 5.06 A): 2 out of 6 assignments used, quality = 0.83: * H GLU 89 + H GLU 91 OK 79 100 - 79 - 3.6/8171=31, 3.0/8177=29...(8) H ASP 84 + H GLU 91 OK 19 73 - 26 - 11577/4.6=14...(3) H GLU 111 - H GLU 91 lone 8 96 - 9 - 560/4.6=2, 11577/4.6=1 H LEU 38 - H GLU 91 poor 8 65 - 13 - 11577/4.6=5, 1237/4.6=2...(4) H GLU 112 - H GLU 91 lone 6 84 - 7 - 560/4.6=2, 10399/4.6=1 H ILE 15 - H GLU 91 lone 1 70 - 2 - Peak 2139 from nnoeabs.peaks (4.56, 7.94, 119.03 ppm; 4.97 A): 2 out of 3 assignments used, quality = 0.83: * HA ASN 88 + H GLU 91 OK 79 100 - 79 - 8171=42, 8172/4.0=24...(6) HA PHE 79 + H GLU 91 OK 21 98 - 21 - 8175/4.0=5, 2145/4.6=5...(5) HA LYS 77 - H GLU 91 lone 5 84 - 6 - 8175/4.0=1, 2145/4.6=1 Peak 2144 from nnoeabs.peaks (4.15, 8.09, 118.67 ppm; 4.53 A): 4 out of 8 assignments used, quality = 0.93: * HA GLU 89 + H GLU 92 OK 78 100 - 79 - 8178=28, 8177/4.6=17...(15) HA ARG 95 + H GLU 92 OK 56 100 - 56 - 8223=13, 8180/4.0=10...(15) HA ALA 124 + H GLU 92 OK 17 100 - 17 - 3.6/573=5, 3.0/2146=4...(6) HA GLN 122 + H GLU 92 OK 13 87 - 15 - 8308/4.6=7, 8180/4.0=1 HA LEU 63 - H GLU 92 lone 4 84 - 5 - HA LEU 45 - H GLU 92 lone 4 100 - 4 - HA LEU 70 - H GLU 92 lone 3 81 - 4 - HA VAL 22 - H GLU 92 lone 2 77 - 2 - Peak 2145 from nnoeabs.peaks (4.56, 8.09, 118.67 ppm; 5.82 A): 2 out of 3 assignments used, quality = 0.76: * HA ASN 88 + H GLU 92 OK 68 100 - 68 - 8171/4.6=32, 8172/4.6=27...(6) HA PHE 79 + H GLU 92 OK 24 98 - 24 - 2139/4.6=7, 8175/4.6=6...(6) HA LYS 77 - H GLU 92 lone 6 84 - 7 - 2139/4.6=2, 8175/4.6=2 Peak 2146 from nnoeabs.peaks (8.61, 8.09, 118.67 ppm; 5.39 A): 4 out of 8 assignments used, quality = 0.80: * H LYS 94 + H GLU 92 OK 63 100 - 63 - 585/4.6=27, 4.3/10079=22...(8) H ALA 124 + H GLU 92 OK 22 99 - 22 - 1967/4.6=6, 4.6/573=5...(7) H THR 108 + H GLU 92 OK 21 100 - 21 - 1936/4.6=8, 4.2/10296=7...(5) H LEU 80 + H GLU 92 OK 11 99 - 11 - 3.6/2145=7, 8192/3.6=1 H GLN 85 - H GLU 92 lone 4 90 - 4 - H ILE 71 - H GLU 92 lone 4 96 - 4 - H LYS 49 - H GLU 92 lone 3 100 - 3 - H ASP 12 - H GLU 92 lone 1 57 - 3 - Peak 2149 from nnoeabs.peaks (4.21, 8.10, 120.12 ppm; 4.30 A): 2 out of 2 assignments used, quality = 0.75: * HA LEU 90 + H PHE 93 OK 66 100 - 66 - 8185=32, 8188/3.6=20...(6) HB THR 108 + H PHE 93 OK 25 84 - 30 - 4.0/1936=6, 8187/3.6=6...(7) Peak 2154 from nnoeabs.peaks (4.07, 8.61, 118.94 ppm; 4.09 A): 3 out of 8 assignments used, quality = 0.73: * HA GLU 91 + H LYS 94 OK 51 100 - 51 - 8192=18, 8194/3.9=9...(11) HA LYS 96 + H LYS 94 OK 34 96 - 36 - 8192=10, 2.9/2156=9...(7) HA LYS 43 + H LYS 94 OK 17 77 - 22 - 8194/3.9=4, 8196/3.9=4...(9) HA LYS 44 - H LYS 94 lone 8 87 - 10 - 3.6/1937=3, 8194/3.9=2...(4) HA GLU 69 - H LYS 94 lone 6 65 - 10 - 3.6/1913=4, 2.9/2109=3 HA3 GLY 125 - H LYS 94 lone 5 92 - 5 - 3.0/794=1, 3.6/2250=1 HA GLU 37 - H LYS 94 lone 3 81 - 4 - HA LYS 20 - H LYS 94 lone 3 81 - 4 - Peak 2155 from nnoeabs.peaks (4.21, 8.61, 118.94 ppm; 5.43 A): 2 out of 2 assignments used, quality = 0.86: * HA LEU 90 + H LYS 94 OK 79 100 - 79 - 8186/4.3=28, 8188/4.3=28...(10) HB THR 108 + H LYS 94 OK 34 84 - 40 - 2149/4.6=9, 8187/4.3=9...(7) Peak 2156 from nnoeabs.peaks (7.79, 8.61, 118.94 ppm; 6.20 A): 3 out of 3 assignments used, quality = 0.82: * H LYS 96 + H LYS 94 OK 72 100 - 72 - 4.6/1937=40, 2163=31...(6) H LYS 40 + H LYS 94 OK 27 97 - 28 - 1938/4.5=10, 8206/3.6=4...(9) H GLU 66 + H LYS 94 OK 12 70 - 18 - 1938/4.5=5, 4.7/10098=3...(4) Peak 2157 from nnoeabs.peaks (4.34, 8.16, 117.19 ppm; 6.20 A): 3 out of 5 assignments used, quality = 0.97: HA GLU 98 + H ARG 95 OK 73 99 - 74 - ~11702=27, ~2174=24...(9) * HA PHE 93 + H ARG 95 OK 71 100 - 71 - 3.6/1937=44, 8205=23...(9) HA SER 99 + H ARG 95 OK 63 100 - 64 - ~2179=19, 8205=18...(9) HA GLN 85 - H ARG 95 OK 10 98 - 10 - ~8219=2, ~8220=2, 2164/4.6=2 HB THR 9 - H ARG 95 lone 2 61 - 2 - Peak 2159 from nnoeabs.peaks (4.03, 8.16, 117.19 ppm; 3.99 A): 4 out of 12 assignments used, quality = 0.74: * HA GLU 92 + H ARG 95 OK 46 100 - 46 - 8199=17, 8202/3.9=9...(12) HA GLU 66 + H ARG 95 OK 31 98 - 32 - 8199=10, 8202/3.9=6...(10) HA LYS 40 + H ARG 95 OK 22 92 - 24 - 3.0/1938=8, 8203/3.9=4...(7) HA LYS 123 + H ARG 95 OK 11 97 - 11 - 8199=4, 3.6/593=2, 8202/3.9=2 HA GLU 13 - H ARG 95 lone 8 98 - 8 - 8199=2 HA PHE 120 - H ARG 95 lone 6 92 - 7 - 10556/4.4=2, 10555/4.4=1 HA GLU 119 - H ARG 95 lone 6 99 - 6 - 8199=2 HA GLU 87 - H ARG 95 lone 4 100 - 4 - HB3 SER 126 - H ARG 95 lone 3 100 - 3 - HB2 SER 126 - H ARG 95 lone 3 94 - 3 - HA SER 35 - H ARG 95 lone 2 81 - 3 - HA2 GLY 125 - H ARG 95 lone 2 57 - 3 - Peak 2163 from nnoeabs.peaks (8.61, 7.79, 119.58 ppm; 6.20 A): 3 out of 8 assignments used, quality = 0.80: * H LYS 94 + H LYS 96 OK 73 100 - 73 - 1937/4.6=40, 2156=32...(6) H ALA 124 + H LYS 96 OK 15 99 - 15 - 4.7/1640=3, 4.7/7476=2...(8) H ILE 71 + H LYS 96 OK 12 96 - 13 - 437/5.1=2, 593/4.6=2...(4) H GLN 85 - H LYS 96 lone 5 90 - 5 - 3.0/2164=2 H LEU 80 - H LYS 96 lone 5 99 - 5 - 593/4.6=1 H LYS 49 - H LYS 96 lone 4 100 - 4 - H THR 108 - H LYS 96 lone 3 100 - 3 - H ASP 12 - H LYS 96 lone 1 57 - 2 - Peak 2164 from nnoeabs.peaks (4.34, 7.79, 119.58 ppm; 5.29 A): 3 out of 5 assignments used, quality = 0.97: HA SER 99 + H LYS 96 OK 87 100 - 87 - 8206=23, 8210/4.1=21...(17) * HA PHE 93 + H LYS 96 OK 65 100 - 65 - 3.6/2156=16, 8206=16...(13) HA GLU 98 + H LYS 96 OK 44 99 - 44 - 3.0/2173=25, 2157/4.6=7...(8) HA GLN 85 - H LYS 96 lone 9 98 - 9 - 8210/4.1=1, 3.0/2163=1 HB THR 9 - H LYS 96 lone 2 61 - 3 - Peak 2169 from nnoeabs.peaks (3.62, 7.83, 118.55 ppm; 5.08 A): 2 out of 2 assignments used, quality = 0.92: * HA LYS 94 + H ILE 97 OK 89 100 - 89 - 8213=34, 8215/3.9=29...(11) HA LYS 94 + H LYS 39 OK 25 92 - 27 - 8213=11, 10104/1651=4...(7) Peak 2170 from nnoeabs.peaks (4.34, 7.83, 118.55 ppm; 6.20 A): 3 out of 10 assignments used, quality = 0.99: HA SER 99 + H ILE 97 OK 85 100 - 86 - 8210/4.6=24, 2.9/2177=23...(12) HA GLU 98 + H ILE 97 OK 81 99 - 82 - 10162/4.0=34, 3.0/621=34...(13) * HA PHE 93 + H ILE 97 OK 60 100 - 60 - 8211=13, 8206/4.5=13...(9) HA SER 99 - H LYS 39 OK 32 91 - 36 - 2.9/2177=10, 8211=7...(9) HA GLU 98 - H LYS 39 OK 29 90 - 33 - 3.0/621=12, 3.6/2177=9...(7) HA PHE 93 - H LYS 39 OK 18 92 - 20 - 8211=4, 8206/4.7=4...(6) HA GLN 85 - H ILE 97 OK 13 98 - 13 - 10135/4.0=2, 8210/4.6=2...(5) HA GLN 85 - H LYS 39 lone 4 88 - 4 - HB THR 9 - H ILE 97 lone 3 61 - 5 - HB THR 9 - H LYS 39 lone 2 51 - 3 - Peak 2171 from nnoeabs.peaks (8.10, 7.83, 118.55 ppm; 6.20 A): 4 out of 10 assignments used, quality = 0.94: * H SER 99 + H ILE 97 OK 88 100 - 88 - 628/4.7=40, 2177=31...(9) H SER 99 + H LYS 39 OK 35 92 - 38 - 2177=13, 4.6/621=11...(8) H PHE 93 + H ILE 97 OK 20 99 - 20 - 3.0/8211=12, 8225/3.6=5 H GLU 128 + H ILE 97 OK 11 77 - 15 - 2263/3.6=3, 4.8/1649=2...(6) H GLU 92 - H ILE 97 lone 7 90 - 8 - 1941/4.7=2, 574/3.6=2 H PHE 93 - H LYS 39 lone 7 90 - 7 - 3.0/8211=4 H GLU 128 - H LYS 39 lone 4 65 - 6 - H GLU 92 - H LYS 39 lone 3 77 - 4 - H ALA 113 - H ILE 97 lone 2 61 - 3 - H ALA 113 - H LYS 39 lone 1 51 - 2 - Peak 2173 from nnoeabs.peaks (7.79, 8.67, 121.98 ppm; 4.55 A): 2 out of 3 assignments used, quality = 0.53: * H LYS 96 + H GLU 98 OK 43 100 - 43 - 3.6/2174=22, 4.5/621=20...(4) H LYS 40 + H GLU 98 OK 19 97 - 19 - 218/4.7=12, 4.7/621=7 H GLU 66 - H GLU 98 poor 7 70 - 10 - 4.9/1654=2, 3.7/1655=2 Peak 2174 from nnoeabs.peaks (4.15, 8.67, 121.98 ppm; 4.41 A): 2 out of 8 assignments used, quality = 0.73: * HA ARG 95 + H GLU 98 OK 69 100 - 69 - 11702=31, 8219/4.0=19...(7) HA GLU 89 + H GLU 98 OK 11 100 - 11 - 2179/4.6=3, 8220/4.0=2...(4) HA LEU 63 - H GLU 98 lone 4 73 - 5 - HA LEU 70 - H GLU 98 lone 2 90 - 3 - HA LEU 45 - H GLU 98 lone 2 100 - 2 - HA ALA 124 - H GLU 98 lone 2 98 - 2 - HA GLN 122 - H GLU 98 lone 2 77 - 2 - HA VAL 22 - H GLU 98 lone 1 65 - 2 - Peak 2175 from nnoeabs.peaks (3.62, 8.67, 121.98 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.92: * HA LYS 94 + H GLU 98 OK 92 100 - 92 - 10119/4.1=38...(11) Peak 2176 from nnoeabs.peaks (3.94, 8.10, 115.50 ppm; 6.20 A): 2 out of 5 assignments used, quality = 0.80: * HA ILE 97 + H SER 99 OK 77 100 - 77 - 3.6/628=45, 3.0/2177=23...(8) HA MET 67 + H SER 99 OK 12 92 - 13 - 8137/4.6=7, 3.0/631=2, 3.7/632=1 HB3 SER 35 - H SER 99 lone 7 90 - 7 - 11311/4.6=3, 3.0/2178=1 HA MET 121 - H SER 99 lone 2 97 - 2 - HB2 SER 35 - H SER 99 lone 2 61 - 3 - 3.0/2178=1 Peak 2177 from nnoeabs.peaks (7.83, 8.10, 115.50 ppm; 6.20 A): 2 out of 5 assignments used, quality = 0.92: * H ILE 97 + H SER 99 OK 87 100 - 87 - 4.7/628=40, 3.0/2176=29...(9) H LYS 39 + H SER 99 OK 37 100 - 37 - 621/4.6=11, 2171=10...(8) H VAL 78 - H SER 99 lone 9 100 - 9 - 621/4.6=2, 8211/2.9=2...(4) H TYR 27 - H SER 99 lone 6 81 - 8 - 11346/2178=3, 3.9/632=1 HE21 GLN 62 - H SER 99 lone 3 73 - 4 - Peak 2178 from nnoeabs.peaks (4.07, 8.10, 115.50 ppm; 4.05 A): 3 out of 8 assignments used, quality = 0.70: * HA LYS 96 + H SER 99 OK 59 100 - 60 - 8225=14, 8228/4.0=14...(12) HA GLU 91 + H SER 99 OK 18 96 - 19 - 8225=3, 2.9/1934=3...(8) HA GLU 37 + H SER 99 OK 10 98 - 10 - 3505/4.9=2, 3.0/630=2...(4) HA GLU 69 - H SER 99 lone 4 92 - 5 - 2.9/1942=1 HA LYS 44 - H SER 99 lone 3 99 - 3 - HA SER 35 - H SER 99 lone 2 61 - 4 - HA3 GLY 125 - H SER 99 lone 2 100 - 2 - HA2 GLY 125 - H SER 99 lone 2 84 - 2 - Peak 2179 from nnoeabs.peaks (4.15, 8.10, 115.50 ppm; 5.06 A): 2 out of 8 assignments used, quality = 0.72: * HA ARG 95 + H SER 99 OK 65 100 - 65 - 11702/4.6=24...(9) HA GLU 89 + H SER 99 OK 18 100 - 18 - 8178=4, 2174/4.6=3...(7) HA LEU 45 - H SER 99 lone 5 100 - 5 - ~8205=2 HA LEU 63 - H SER 99 lone 4 73 - 6 - 2174/4.6=1 HA ALA 124 - H SER 99 lone 3 98 - 3 - HA LEU 70 - H SER 99 lone 3 90 - 3 - HA GLN 122 - H SER 99 lone 2 77 - 3 - HA VAL 22 - H SER 99 lone 2 65 - 2 - Peak 2180 from nnoeabs.peaks (8.23, 8.70, 122.85 ppm; 3.60 A): 1 out of 3 assignments used, quality = 0.57: * H GLU 112 + H ASP 110 OK 57 100 - 57 - 2183=16, 4.5/699=14...(9) H ILE 15 - H ASP 110 lone 8 99 - 8 - 7357/10368=2...(3) H GLU 89 - H ASP 110 lone 7 84 - 9 - 10342/4.4=1, 1932/4.6=1 Peak 2183 from nnoeabs.peaks (8.70, 8.23, 121.40 ppm; 4.98 A): 2 out of 3 assignments used, quality = 0.87: * H ASP 110 + H GLU 112 OK 85 100 - 85 - 2180=39, 699/4.5=27...(11) H ASP 86 + H GLU 112 OK 10 99 - 10 - 699/4.5=4, 539/4.6=1...(4) H ARG 105 - H GLU 112 lone 6 94 - 6 - Peak 2184 from nnoeabs.peaks (7.74, 8.23, 121.40 ppm; 4.96 A): 2 out of 2 assignments used, quality = 0.87: * H LEU 114 + H GLU 112 OK 85 100 - 85 - 2190=37, 8237/3.6=33...(11) H GLU 48 + H GLU 112 OK 14 99 - 14 - 8237/3.6=5, 284/4.6=2 Peak 2187 from nnoeabs.peaks (4.09, 8.12, 120.32 ppm; 4.12 A): 2 out of 8 assignments used, quality = 0.81: * HA ASP 110 + H ALA 113 OK 76 100 - 76 - 8234/2.9=34, 8232=32...(9) HA ASP 110 + H VAL 117 OK 21 97 - 22 - 8232=9, 8235/715=3...(6) HA GLN 62 - H ALA 113 lone 3 92 - 3 - 8234/2.9=1 HA GLN 62 - H VAL 117 lone 3 87 - 4 - 8103/4.7=1 HA LYS 43 - H ALA 113 lone 2 97 - 2 - HA LYS 20 - H ALA 113 lone 1 96 - 1 - HA LYS 43 - H VAL 117 lone 1 92 - 1 - HA LYS 20 - H VAL 117 lone 1 91 - 1 - Peak 2188 from nnoeabs.peaks (7.62, 8.12, 120.32 ppm; 4.36 A): 2 out of 22 assignments used, quality = 0.92: * H LYS 115 + H ALA 113 OK 78 100 - 78 - 2198=25, 718/4.6=22...(15) H LYS 115 + H VAL 117 OK 64 97 - 66 - 1958/4.7=22, 2198=20...(13) H LEU 64 - H ALA 113 OK 21 94 - 23 - 1957/4.6=4, 10408/2.9=4...(7) H LEU 64 - H VAL 117 OK 19 89 - 22 - 389/4.0=3, 4.6/742=3...(7) H GLN 100 - H ALA 113 OK 13 98 - 13 - 2198=3, 718/4.6=3...(4) H LYS 16 - H ALA 113 OK 13 84 - 15 - 10408/2.9=3, 4.6/709=3...(6) H GLU 69 - H ALA 113 lone 8 92 - 9 - 8244/3.6=2, 1455/4.6=1...(4) H GLN 100 - H VAL 117 lone 7 94 - 7 - 725/4.7=2, 2198=1 H LEU 74 - H ALA 113 lone 7 96 - 7 - 10408/2.9=1, 1957/4.6=1 H ASP 34 - H ALA 113 lone 6 100 - 6 - 10408/2.9=1 H LYS 16 - H VAL 117 lone 6 78 - 8 - 4.6/709=1, 4.5/10431=1 H LEU 74 - H VAL 117 lone 4 91 - 4 - H GLU 69 - H VAL 117 lone 4 87 - 4 - H ASP 34 - H VAL 117 lone 3 97 - 3 - 9319/4.0=1 HE21 GLN 85 - H ALA 113 lone 2 97 - 2 - HE ARG 105 - H ALA 113 lone 2 65 - 4 - HE ARG 105 - H VAL 117 lone 2 60 - 3 - 3.8/10430=2 HE21 GLN 85 - H VAL 117 lone 1 92 - 2 - H ALA 46 - H ALA 113 lone 1 57 - 2 - HD21 ASN 50 - H ALA 113 lone 1 73 - 1 - H ALA 46 - H VAL 117 lone 1 53 - 2 - HD21 ASN 50 - H VAL 117 lone 1 68 - 1 - Peak 2190 from nnoeabs.peaks (8.23, 7.74, 116.90 ppm; 4.64 A): 2 out of 3 assignments used, quality = 0.86: * H GLU 112 + H LEU 114 OK 82 100 - 82 - 2184=35, 3.6/8237=30...(11) H ILE 15 + H LEU 114 OK 25 99 - 25 - 10406/3.7=5, 1099/3.9=4...(9) H GLU 89 - H LEU 114 lone 3 84 - 3 - 10406/3.7=1 Peak 2191 from nnoeabs.peaks (3.99, 7.74, 116.90 ppm; 3.79 A): 4 out of 6 assignments used, quality = 0.94: * HA GLU 111 + H LEU 114 OK 79 100 - 79 - 8237=38, 8238/3.9=20...(9) HA GLU 112 + H LEU 114 OK 55 94 - 58 - 3.0/2184=17, 3.6/715=16...(10) HA LYS 17 + H LEU 114 OK 22 99 - 22 - 8241/3.9=4, 10440/4.5=4...(9) HA LEU 14 + H LEU 114 OK 20 100 - 20 - 3.6/2190=4, 10428/3.7=4...(6) HB2 SER 99 - H LEU 114 lone 7 96 - 8 - 4.5/718=2 HB3 SER 99 - H LEU 114 lone 7 96 - 8 - 4.5/718=2 Peak 2193 from nnoeabs.peaks (8.00, 7.74, 116.90 ppm; 5.03 A): 1 out of 3 assignments used, quality = 0.86: * H ILE 116 + H LEU 114 OK 86 100 - 86 - 2200=31, 1958/4.6=29...(12) H SER 72 - H LEU 114 lone 5 61 - 8 - 1958/4.6=2 H GLY 26 - H LEU 114 lone 3 73 - 5 - 8251/3.6=1, 1958/4.6=1 Peak 2195 from nnoeabs.peaks (8.12, 7.62, 119.07 ppm; 4.17 A): 3 out of 8 assignments used, quality = 0.92: * H ALA 113 + H LYS 115 OK 72 100 - 72 - 4.6/718=20, 3.6/8244=18...(14) H VAL 117 + H LYS 115 OK 59 100 - 59 - 4.7/1958=20, 2206/3.6=13...(12) H SER 99 + H GLN 100 OK 26 34 - 77 - 4.6=73, 6241/4.5=7...(6) H ALA 113 - H GLN 100 poor 8 67 - 12 - 4.6/718=2, 3.6/8244=2...(4) H VAL 117 - H GLN 100 lone 4 66 - 6 - 4.7/725=2, 2188=1 H SER 99 - H LYS 115 lone 3 61 - 5 - 1942=1 H PHE 93 - H LYS 115 lone 2 77 - 3 - H PHE 93 - H GLN 100 lone 1 44 - 2 - Peak 2196 from nnoeabs.peaks (4.00, 7.62, 119.07 ppm; 3.44 A): 7 out of 16 assignments used, quality = 0.95: * HA GLU 112 + H LYS 115 OK 59 100 - 59 - 8244=20, 8249/4.6=11...(15) HA GLU 111 + H LYS 115 OK 45 94 - 48 - 8238/4.3=13, 8237/4.6=11...(7) HB2 SER 99 + H GLN 100 OK 38 67 - 57 - 4.5=45, 6236/3.6=12, 4.0/1942=12 HB3 SER 99 + H GLN 100 OK 38 67 - 57 - 4.5=45, 6236/3.6=12, 4.0/1942=12 HA LYS 17 + H LYS 115 OK 17 99 - 18 - 8241/4.3=3, 10441/4.9=2...(7) HA3 GLY 101 + H GLN 100 OK 15 52 - 30 - 2.9/638=22, ~639=9 HA LEU 14 + H LYS 115 OK 10 87 - 12 - 9163/4.3=2, 3.6/1864=2...(5) HB3 SER 99 - H LYS 115 lone 8 100 - 8 - 10460/5.0=1 HB2 SER 99 - H LYS 115 lone 8 100 - 8 - 10460/5.0=1 HA GLU 112 - H GLN 100 lone 5 67 - 8 - 8244=3 HA3 GLY 75 - H LYS 115 lone 4 77 - 5 - 3.6/9827=2, 3.0/462=1 HA GLU 111 - H GLN 100 lone 2 58 - 4 - HA3 GLY 101 - H LYS 115 lone 1 87 - 2 - HA LYS 17 - H GLN 100 lone 1 64 - 2 - HA LEU 14 - H GLN 100 lone 1 52 - 1 - HA3 GLY 75 - H GLN 100 lone 0 44 - 1 - Peak 2198 from nnoeabs.peaks (8.12, 7.62, 119.07 ppm; 4.16 A): 2 out of 6 assignments used, quality = 0.88: H ALA 113 + H LYS 115 OK 72 100 - 72 - 4.6/718=20, 3.6/8244=18...(14) * H VAL 117 + H LYS 115 OK 59 100 - 59 - 4.7/1958=20, 2206/3.6=13...(12) H ALA 113 - H GLN 100 poor 8 66 - 11 - 4.6/718=2, 3.6/8244=2...(4) H VAL 117 - H GLN 100 lone 4 67 - 6 - 4.7/725=2, 2188=1 H PHE 93 - H LYS 115 lone 2 65 - 3 - H PHE 93 - H GLN 100 lone 1 37 - 2 - Peak 2200 from nnoeabs.peaks (7.74, 8.00, 120.61 ppm; 5.77 A): 1 out of 2 assignments used, quality = 0.93: * H LEU 114 + H ILE 116 OK 93 100 - 93 - 2193=45, 4.6/1958=35...(12) H GLU 48 - H ILE 116 lone 7 99 - 7 - 718/4.6=3 Peak 2201 from nnoeabs.peaks (3.80, 8.00, 120.61 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: HA LYS 115 + H ILE 116 OK 100 100 - 100 - 3.6=100 Reference assignment not found: HA ALA 113 - H ILE 116 Peak 2202 from nnoeabs.peaks (4.00, 8.00, 120.61 ppm; 5.25 A): 5 out of 8 assignments used, quality = 0.93: * HA GLU 112 + H ILE 116 OK 85 100 - 85 - 8249=47, 3.6/735=22...(13) HA GLU 111 + H ILE 116 OK 31 94 - 33 - 8237/2193=11, 2196/4.6=7...(9) HA LYS 17 + H ILE 116 OK 16 99 - 16 - 3.9/10479=3, 10476/4.7=3...(7) HB3 SER 99 + H ILE 116 OK 12 100 - 12 - 4.5/725=3, 8246/4.4=1...(5) HB2 SER 99 + H ILE 116 OK 12 100 - 12 - 4.5/725=3, 8246/4.4=1...(5) HA LEU 14 - H ILE 116 lone 8 87 - 9 - 2196/4.6=1, 2191/2193=1...(4) HA3 GLY 75 - H ILE 116 lone 3 77 - 4 - ~8268=1 HA3 GLY 101 - H ILE 116 lone 2 87 - 2 - Peak 2205 from nnoeabs.peaks (7.62, 8.12, 120.23 ppm; 4.62 A): 2 out of 22 assignments used, quality = 0.94: H LYS 115 + H ALA 113 OK 79 97 - 82 - 718/4.6=25, 2198=25...(15) * H LYS 115 + H VAL 117 OK 70 100 - 70 - 1958/4.7=25, 2198=20...(13) H LEU 64 - H ALA 113 OK 22 89 - 25 - 1957/4.6=4, 10408/2.9=4...(9) H LEU 64 - H VAL 117 OK 22 94 - 24 - 389/4.0=3, 4.6/1960=3...(9) H GLN 100 - H ALA 113 OK 13 94 - 14 - 718/4.6=3, 8244/3.6=3...(4) H LYS 16 - H ALA 113 OK 13 78 - 16 - 10408/2.9=4, 4.6/709=3...(6) H GLU 69 - H ALA 113 lone 8 87 - 10 - 8244/3.6=2, 1455/4.6=1...(4) H GLN 100 - H VAL 117 lone 8 98 - 8 - 725/4.7=3, 2198=1 H LYS 16 - H VAL 117 lone 7 84 - 8 - 4.5/10431=1, 4.6/709=1 H LEU 74 - H ALA 113 lone 7 91 - 8 - 10408/2.9=1, 1957/4.6=1...(4) H ASP 34 - H ALA 113 lone 7 97 - 7 - 10408/2.9=1 H LEU 74 - H VAL 117 lone 5 96 - 5 - 4.6/2208=1 H GLU 69 - H VAL 117 lone 4 92 - 5 - 725/4.7=1 H ASP 34 - H VAL 117 lone 4 100 - 4 - 9319/4.0=1 HE ARG 105 - H VAL 117 lone 3 65 - 4 - 3.8/10430=2 HE21 GLN 85 - H ALA 113 lone 2 92 - 3 - HE ARG 105 - H ALA 113 lone 2 60 - 4 - HE21 GLN 85 - H VAL 117 lone 2 97 - 2 - H ALA 46 - H ALA 113 lone 1 53 - 2 - HD21 ASN 50 - H ALA 113 lone 1 68 - 2 - H ALA 46 - H VAL 117 lone 1 57 - 2 - HD21 ASN 50 - H VAL 117 lone 1 73 - 1 - Peak 2206 from nnoeabs.peaks (3.71, 8.12, 120.23 ppm; 3.80 A): 2 out of 6 assignments used, quality = 0.92: HA LEU 114 + H ALA 113 OK 71 97 - 73 - 3.0/715=19, 10427/2.9=17...(15) * HA LEU 114 + H VAL 117 OK 71 100 - 71 - 8258/4.0=19...(12) HA LYS 61 - H VAL 117 lone 8 94 - 9 - 10515/4.0=3, 8258/4.0=2 HA LYS 61 - H ALA 113 lone 5 89 - 5 - 10427/2.9=1 HA2 GLY 101 - H VAL 117 lone 2 94 - 2 - HA2 GLY 101 - H ALA 113 lone 1 89 - 1 - Peak 2207 from nnoeabs.peaks (3.80, 8.12, 120.23 ppm; 3.78 A): 1 out of 1 assignment used, quality = 0.97: HA ALA 113 + H ALA 113 OK 97 97 - 100 - 3.0=100 Reference assignment not found: HA ALA 113 - H VAL 117 Peak 2208 from nnoeabs.peaks (7.92, 8.12, 120.23 ppm; 5.94 A): 2 out of 6 assignments used, quality = 0.95: * H GLU 119 + H VAL 117 OK 92 100 - 92 - 2216/3.6=47, 2215=36...(10) H GLU 119 + H ALA 113 OK 41 97 - 42 - 2215=13, 4.6/742=13...(7) H GLY 75 - H VAL 117 lone 9 97 - 9 - 8274/3.0=2, 8268/3.6=2 H GLY 75 - H ALA 113 lone 4 92 - 4 - HD21 ASN 33 - H VAL 117 lone 2 57 - 3 - HD21 ASN 33 - H ALA 113 lone 1 53 - 2 - Peak 2209 from nnoeabs.peaks (3.46, 8.03, 118.42 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.73: * HA ILE 116 + H ARG 118 OK 65 100 - 65 - 2216/4.6=44, 3.6/742=25...(5) HA ILE 116 + H LYS 65 OK 21 68 - 31 - 10469/3.0=7, 3.6/742=6...(9) Peak 2211 from nnoeabs.peaks (3.80, 8.03, 118.42 ppm; 3.63 A): 1 out of 1 assignment used, quality = 0.64: HA LYS 65 + H LYS 65 OK 64 64 - 100 - 3.0=100 Reference assignment not found: HA LYS 115 - H ARG 118 Peak 2212 from nnoeabs.peaks (3.71, 8.03, 118.42 ppm; 4.59 A): 4 out of 6 assignments used, quality = 0.89: * HA LEU 114 + H ARG 118 OK 71 100 - 71 - 10515/4.3=26...(11) HA LYS 61 + H LYS 65 OK 35 59 - 60 - 8097/4.2=21, 8096/4.6=15...(8) HA LEU 114 + H LYS 65 OK 29 68 - 43 - 8098/4.2=6, 8259=6...(15) HA LYS 61 + H ARG 118 OK 15 94 - 16 - 10515/4.3=4, 8258/4.4=3...(6) HA2 GLY 101 - H LYS 65 lone 5 59 - 8 - 8100/4.2=2, 8098/4.2=2...(4) HA2 GLY 101 - H ARG 118 lone 3 94 - 3 - Peak 2213 from nnoeabs.peaks (8.83, 8.03, 118.42 ppm; 4.62 A): 1 out of 6 assignments used, quality = 0.72: * H PHE 120 + H ARG 118 OK 72 100 - 72 - 2221/3.6=34, 2220=31...(6) H PHE 120 - H LYS 65 poor 9 68 - 14 - 4.6/747=6, 2220=5, 2222/2209=2 H SER 58 - H ARG 118 lone 5 73 - 7 - 4.4/9579=2, 9585=1 H LYS 106 - H ARG 118 lone 4 61 - 7 - 1962/4.6=1 H SER 58 - H LYS 65 lone 4 42 - 8 - 9585=3, 4.4/9579=2...(4) H LYS 106 - H LYS 65 lone 1 34 - 3 - Peak 2214 from nnoeabs.peaks (3.26, 7.92, 122.42 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.93: * HA VAL 117 + H GLU 119 OK 93 100 - 93 - 8274=46, 2221/4.6=42...(8) Peak 2215 from nnoeabs.peaks (8.12, 7.92, 122.42 ppm; 4.45 A): 2 out of 3 assignments used, quality = 0.81: * H VAL 117 + H GLU 119 OK 74 100 - 74 - 3.6/2216=34, 4.7/747=21...(9) H ALA 113 + H GLU 119 OK 26 100 - 26 - 742/4.6=8, 2208=6...(7) H PHE 93 - H GLU 119 lone 2 65 - 4 - 582/4.0=1 Peak 2216 from nnoeabs.peaks (3.46, 7.92, 122.42 ppm; 3.69 A): 1 out of 1 assignment used, quality = 0.70: * HA ILE 116 + H GLU 119 OK 70 100 - 70 - 8268=23, 3.2/10545=15...(11) Peak 2217 from nnoeabs.peaks (3.80, 7.92, 122.42 ppm; 6.15 A): 3 out of 4 assignments used, quality = 0.94: * HA LYS 115 + H GLU 119 OK 84 100 - 84 - 8266=46, 8264/4.2=33...(9) HA LYS 65 + H GLU 119 OK 40 98 - 41 - 8265/4.2=13, 8263/4.2=13...(8) HA ALA 113 + H GLU 119 OK 39 100 - 39 - 10417/10545=14...(7) HA2 GLY 26 - H GLU 119 lone 3 77 - 4 - Peak 2218 from nnoeabs.peaks (8.32, 7.92, 122.42 ppm; 5.70 A): 1 out of 2 assignments used, quality = 0.82: * H MET 121 + H GLU 119 OK 82 100 - 82 - 2226/3.6=39, 4.6/755=38...(6) H GLU 103 - H GLU 119 lone 8 100 - 8 - 8282/3.6=2, 1963/4.6=2 Peak 2220 from nnoeabs.peaks (8.03, 8.83, 119.60 ppm; 4.84 A): 2 out of 7 assignments used, quality = 0.80: * H ARG 118 + H PHE 120 OK 77 100 - 77 - 2213=38, 3.6/2221=36...(6) H LYS 65 + H PHE 120 OK 13 87 - 15 - 747/4.6=6, 2213=5, 2209/2222=2 H VAL 22 - H PHE 120 lone 8 90 - 9 - 4.0/10551=5, 4.0/10553=3 H ASP 109 - H PHE 120 lone 5 92 - 5 - 10354/11579=1 H THR 9 - H PHE 120 lone 2 65 - 3 - H SER 72 - H PHE 120 lone 2 100 - 2 - H GLY 26 - H PHE 120 lone 1 98 - 1 - Peak 2221 from nnoeabs.peaks (3.26, 8.83, 119.60 ppm; 4.01 A): 1 out of 1 assignment used, quality = 0.85: * HA VAL 117 + H PHE 120 OK 85 100 - 85 - 8275=30, 8276/4.0=25...(11) Peak 2222 from nnoeabs.peaks (3.46, 8.83, 119.60 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.92: * HA ILE 116 + H PHE 120 OK 92 100 - 92 - 8273=44, 2216/4.6=44...(8) Peak 2223 from nnoeabs.peaks (8.05, 8.83, 119.60 ppm; 5.35 A): 2 out of 7 assignments used, quality = 0.77: * H GLN 122 + H PHE 120 OK 66 100 - 66 - 769/4.6=35, 2230=28...(7) H LEU 90 + H PHE 120 OK 32 97 - 33 - 4.4/11579=26, 8289/3.6=4...(4) H VAL 22 - H PHE 120 poor 9 70 - 13 - 4.0/10551=5, 4.0/10553=3 H LYS 65 - H PHE 120 lone 6 73 - 8 - 9127=2, 8289/3.6=2...(4) H THR 9 - H PHE 120 lone 5 92 - 5 - 9127=1 H ASP 109 - H PHE 120 lone 3 65 - 5 - 5810/11579=2 H HIS 131 - H PHE 120 lone 2 99 - 2 - Peak 2225 from nnoeabs.peaks (7.92, 8.32, 116.60 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.87: * H GLU 119 + H MET 121 OK 87 100 - 87 - 2218=45, 3.6/8282=42...(6) H GLY 75 - H MET 121 lone 5 97 - 5 - 755/4.6=2, 8274/2227=1 HD21 ASN 33 - H MET 121 lone 1 57 - 2 - Peak 2226 from nnoeabs.peaks (3.89, 8.32, 116.60 ppm; 4.33 A): 1 out of 4 assignments used, quality = 0.76: * HA ARG 118 + H MET 121 OK 76 100 - 77 - 8282=39, 8286/4.0=23...(6) HA LEU 64 - H MET 121 lone 4 81 - 5 - 3.6/1964=1 HA GLU 128 - H MET 121 lone 2 77 - 3 - HA LEU 38 - H MET 121 lone 2 65 - 2 - Peak 2227 from nnoeabs.peaks (3.26, 8.32, 116.60 ppm; 4.57 A): 1 out of 1 assignment used, quality = 0.79: * HA VAL 117 + H MET 121 OK 79 100 - 79 - 4720/4.6=29, 8276/4.6=27...(9) Peak 2228 from nnoeabs.peaks (8.40, 8.32, 116.60 ppm; 5.25 A): 2 out of 3 assignments used, quality = 0.84: * H LYS 123 + H MET 121 OK 81 100 - 81 - 2235=48, 4.6/769=34...(9) H MET 67 + H MET 121 OK 18 98 - 18 - 1965/4.6=7, 8296/3.6=6...(4) H ASP 36 - H MET 121 lone 3 87 - 4 - 8296/3.6=1 Peak 2230 from nnoeabs.peaks (8.83, 8.05, 120.56 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.71: * H PHE 120 + H GLN 122 OK 71 100 - 71 - 4.6/769=42, 2223=27...(7) H SER 58 - H GLN 122 poor 8 73 - 11 - 4.4/9579=3, 4.4/775=2...(4) H LYS 106 - H GLN 122 lone 2 61 - 3 - Peak 2231 from nnoeabs.peaks (4.03, 8.05, 120.56 ppm; 3.93 A): 5 out of 13 assignments used, quality = 0.91: HA LYS 123 + H GLN 122 OK 65 100 - 65 - 3.0/1965=27, 8289=16...(10) HA PHE 120 + H GLN 122 OK 48 99 - 49 - 3.6/769=26, 3.0/2230=11...(8) * HA GLU 119 + H GLN 122 OK 28 100 - 28 - 3.6/2230=11, 8289=10...(7) HA GLU 66 + H GLN 122 OK 23 100 - 23 - 3.6/1965=6, 3.0/772=3...(10) HA GLU 87 + H GLN 122 OK 14 96 - 15 - 8164=4, 3.6/2129=2...(5) HA GLU 92 - H GLN 122 lone 8 99 - 8 - 8289=2 HA LYS 40 - H GLN 122 lone 4 99 - 4 - 8289=1 HA GLU 13 - H GLN 122 lone 2 100 - 2 - HB3 SER 126 - H GLN 122 lone 1 100 - 1 - HB2 SER 126 - H GLN 122 lone 1 99 - 1 - HA SER 35 - H GLN 122 lone 1 61 - 1 - HA3 GLY 101 - H GLN 122 lone 1 65 - 1 - HA3 GLY 75 - H GLN 122 lone 0 77 - 1 - Peak 2233 from nnoeabs.peaks (8.60, 8.05, 120.56 ppm; 5.13 A): 3 out of 8 assignments used, quality = 0.80: * H ALA 124 + H GLN 122 OK 74 100 - 74 - 4.6/1965=28, 8307/3.0=23...(7) H ILE 71 + H GLN 122 OK 13 100 - 13 - 1966/4.6=5, 8307/3.0=4 H GLN 85 + H GLN 122 OK 12 73 - 16 - 8307/3.0=4, 5.0/1804=4...(5) H LYS 94 - H GLN 122 lone 8 99 - 8 - 8307/3.0=2, 1966/4.6=1 H THR 108 - H GLN 122 lone 6 100 - 6 - 8307/3.0=2 H LEU 80 - H GLN 122 lone 5 100 - 5 - 8307/3.0=1 H LYS 49 - H GLN 122 lone 4 98 - 4 - 8307/3.0=1 H ASP 12 - H GLN 122 lone 2 77 - 2 - Peak 2235 from nnoeabs.peaks (8.32, 8.40, 121.61 ppm; 4.52 A): 1 out of 2 assignments used, quality = 0.64: * H MET 121 + H LYS 123 OK 64 100 - 64 - 769/4.6=26, 2228=25...(9) H GLU 103 - H LYS 123 lone 2 100 - 2 - Peak 2236 from nnoeabs.peaks (4.02, 8.40, 121.61 ppm; 4.36 A): 1 out of 1 assignment used, quality = 1.00: HA LYS 123 + H LYS 123 OK 100 100 - 100 - 3.0=100 Reference assignment not found: HA PHE 120 - H LYS 123 Peak 2238 from nnoeabs.peaks (7.95, 8.40, 121.61 ppm; 5.91 A): 2 out of 5 assignments used, quality = 0.84: * H GLY 125 + H LYS 123 OK 77 100 - 77 - 794/4.6=35, 2245=35...(4) H GLU 91 + H LYS 123 OK 29 94 - 31 - 8308/3.6=16, 1967/4.6=7...(5) H GLY 101 - H LYS 123 lone 4 99 - 4 - 8308/3.6=1 H LYS 53 - H LYS 123 lone 3 84 - 4 - HD21 ASN 33 - H LYS 123 lone 3 90 - 3 - Peak 2240 from nnoeabs.peaks (8.05, 8.60, 121.87 ppm; 6.09 A): 3 out of 7 assignments used, quality = 0.88: * H GLN 122 + H ALA 124 OK 83 100 - 83 - 1965/4.6=35, 2233=30...(8) H LEU 90 + H ALA 124 OK 19 97 - 19 - 4.6/1967=7, 3.0/8190=4...(5) H LYS 65 + H ALA 124 OK 12 73 - 16 - 2089/4.6=6, 4.0/786=2...(5) H ASP 109 - H ALA 124 lone 3 65 - 5 - H THR 9 - H ALA 124 lone 3 92 - 3 - H HIS 131 - H ALA 124 lone 3 99 - 3 - H VAL 22 - H ALA 124 lone 2 70 - 3 - Peak 2241 from nnoeabs.peaks (3.93, 8.60, 121.87 ppm; 5.25 A): 2 out of 5 assignments used, quality = 0.74: * HA MET 121 + H ALA 124 OK 67 100 - 67 - 8305/2.9=34, 8303=24...(8) HA MET 67 + H ALA 124 OK 20 70 - 29 - 2.9/784=8, 8143=7...(7) HA ILE 97 - H ALA 124 lone 6 97 - 6 - 8305/2.9=2 HB2 SER 35 - H ALA 124 lone 5 87 - 5 - 8305/2.9=2, 4.4/784=1 HB3 SER 35 - H ALA 124 lone 4 65 - 6 - 4.4/784=1, ~8305=1, 8305/2.9=1 Peak 2245 from nnoeabs.peaks (8.40, 7.95, 104.75 ppm; 6.20 A): 2 out of 3 assignments used, quality = 0.81: * H LYS 123 + H GLY 125 OK 78 100 - 78 - 4.6/794=37, 2238=33...(4) H MET 67 + H GLY 125 OK 15 98 - 15 - 784/4.6=7, 2098/3.6=5 H ASP 36 - H GLY 125 lone 3 87 - 4 - 784/4.6=2 Peak 2246 from nnoeabs.peaks (4.13, 7.95, 104.75 ppm; 3.84 A): 1 out of 1 assignment used, quality = 0.94: HA ALA 124 + H GLY 125 OK 94 94 - 100 - 3.6=100 Reference assignment not found: HA GLN 122 - H GLY 125 Peak 2250 from nnoeabs.peaks (8.60, 7.86, 116.08 ppm; 6.20 A): 2 out of 8 assignments used, quality = 0.84: * H ALA 124 + H SER 126 OK 82 100 - 82 - 4.6/1968=41, 3.0/8317=40...(7) H LYS 94 + H SER 126 OK 10 99 - 10 - 4.6/2253=3, 2146/2253=2...(4) H ILE 71 - H SER 126 lone 8 100 - 8 - 3.9/10639=2, 3.6/10635=2 H THR 108 - H SER 126 lone 4 100 - 4 - H LYS 49 - H SER 126 lone 3 98 - 4 - H LEU 80 - H SER 126 lone 3 100 - 3 - H GLN 85 - H SER 126 lone 2 73 - 3 - H ASP 12 - H SER 126 lone 2 77 - 2 - Peak 2251 from nnoeabs.peaks (4.03, 7.86, 116.08 ppm; 2.98 A): 3 out of 12 assignments used, quality = 0.88: HB2 SER 126 + H SER 126 OK 64 100 - 64 - 4.0=41, 1.8/7177=14...(5) HB3 SER 126 + H SER 126 OK 63 99 - 64 - 4.0=41, 1.8/7173=14...(5) * HA LYS 123 + H SER 126 OK 11 100 - 11 - 8311=4, 3.6/2250=4, 2.9/10639=2 HA GLU 92 - H SER 126 lone 7 97 - 7 - 8311=3, 3.0/2253=2, ~8331=1 HA GLU 66 - H SER 126 lone 1 100 - 1 - HA PHE 120 - H SER 126 lone 1 100 - 1 - HA LYS 40 - H SER 126 lone 1 100 - 1 - HA GLU 119 - H SER 126 lone 0 100 - 0 - HA GLU 13 - H SER 126 lone 0 100 - 0 - HA GLU 87 - H SER 126 lone 0 92 - 0 - HA3 GLY 101 - H SER 126 lone 0 73 - 0 - HA3 GLY 75 - H SER 126 lone 0 84 - 0 - Peak 2252 from nnoeabs.peaks (4.13, 7.86, 116.08 ppm; 4.10 A): 2 out of 11 assignments used, quality = 0.64: HA ALA 124 + H SER 126 OK 58 94 - 62 - 3.6/1968=26, 8317=21...(7) * HA GLN 122 + H SER 126 OK 14 100 - 14 - 8308/4.6=10, 8307/2250=3 HA GLU 89 - H SER 126 lone 5 87 - 5 - 8177/4.6=2, 2257/4.6=1 HA ARG 95 - H SER 126 lone 4 77 - 5 - 3.0/10639=2, 2257/4.6=2 HA LEU 45 - H SER 126 lone 2 84 - 2 - HA LEU 63 - H SER 126 lone 2 100 - 2 - HA VAL 22 - H SER 126 lone 1 100 - 1 - HB2 SER 72 - H SER 126 lone 1 84 - 1 - HB3 SER 72 - H SER 126 lone 1 84 - 1 - HA3 GLY 26 - H SER 126 lone 1 94 - 1 - HA MET 1 - H SER 126 lone 0 70 - 1 - Peak 2253 from nnoeabs.peaks (8.08, 7.86, 116.08 ppm; 6.20 A): 3 out of 4 assignments used, quality = 0.94: * H GLU 128 + H SER 126 OK 86 100 - 86 - 4.6/1969=48, 2260/3.0=39...(9) H GLU 92 + H SER 126 OK 47 99 - 48 - 3.0/8311=11, 8331/3.0=11...(12) H PHE 93 + H SER 126 OK 15 61 - 25 - 3.6/8311=11, 10638/4.0=3...(6) H SER 99 - H SER 126 lone 6 77 - 8 - 8331/3.0=1 Peak 2255 from nnoeabs.peaks (4.06, 7.88, 122.37 ppm; 3.95 A): 2 out of 8 assignments used, quality = 0.66: * HA3 GLY 125 + H LEU 127 OK 45 100 - 45 - 3.6/800=36, 10634/3.6=8 HA2 GLY 125 + H LEU 127 OK 39 90 - 43 - 3.6/800=36, 2263/4.6=6 HA GLU 91 - H LEU 127 lone 7 92 - 8 - 3.6/1970=4, 2263/4.6=3 HA LYS 96 - H LEU 127 lone 3 100 - 3 - 2263/4.6=2 HA LYS 44 - H LEU 127 lone 2 100 - 2 - HA GLU 69 - H LEU 127 lone 1 96 - 1 - HA GLU 37 - H LEU 127 lone 1 99 - 1 - HA SER 35 - H LEU 127 lone 1 70 - 1 - Peak 2257 from nnoeabs.peaks (4.14, 7.88, 122.37 ppm; 4.34 A): 2 out of 9 assignments used, quality = 0.73: * HA ALA 124 + H LEU 127 OK 69 100 - 69 - 8318=35, 8317/4.6=16...(7) HA ARG 95 + H LEU 127 OK 13 98 - 13 - 2264/4.6=4, 10653/4.2=3...(4) HA GLU 89 - H LEU 127 lone 10 100 - 9 - 2264/4.6=3, 10653/4.2=2...(5) HA LEU 70 - H LEU 127 poor 8 70 - 11 - 10653/4.2=3, 8322/4.0=2...(5) HA LEU 63 - H LEU 127 lone 7 92 - 7 - 2264/4.6=1, 8322/4.0=1 HA GLN 122 - H LEU 127 lone 6 94 - 7 - 2252/4.6=3 HA LEU 45 - H LEU 127 lone 6 99 - 6 - 10653/4.2=2, 8322/4.0=1 HA VAL 22 - H LEU 127 lone 3 87 - 3 - HA3 GLY 26 - H LEU 127 lone 1 65 - 1 - Peak 2260 from nnoeabs.peaks (4.45, 8.08, 119.78 ppm; 5.87 A): 1 out of 2 assignments used, quality = 0.78: * HA SER 126 + H GLU 128 OK 78 100 - 78 - 3.6/804=47, 8331=33...(7) HA TYR 27 - H GLU 128 lone 1 81 - 2 - Peak 2262 from nnoeabs.peaks (4.05, 8.08, 119.78 ppm; 4.19 A): 2 out of 9 assignments used, quality = 0.55: * HA2 GLY 125 + H GLU 128 OK 35 100 - 35 - 8329/4.0=9, 3.6/2253=8...(7) HA3 GLY 125 + H GLU 128 OK 31 90 - 35 - 8329/4.0=9, 3.6/2253=8...(7) HA LYS 96 - H GLU 128 lone 8 84 - 10 - 8329/4.0=2, 3.0/1837=2 HA GLU 92 - H GLU 128 lone 5 57 - 9 - 8329/4.0=2, 3.0/5853=1...(4) HA LYS 44 - H GLU 128 lone 4 94 - 4 - HA GLU 69 - H GLU 128 lone 3 100 - 3 - HA SER 35 - H GLU 128 lone 2 98 - 2 - HA GLU 37 - H GLU 128 lone 2 97 - 2 - HA GLU 87 - H GLU 128 lone 1 70 - 1 - Peak 2263 from nnoeabs.peaks (4.06, 8.08, 119.78 ppm; 4.19 A): 4 out of 8 assignments used, quality = 0.66: * HA3 GLY 125 + H GLU 128 OK 35 100 - 36 - 2255/4.6=10, 3.6/2253=8...(7) HA2 GLY 125 + H GLU 128 OK 31 90 - 35 - 2255/4.6=9, 8329/4.0=8...(7) HA GLU 91 + H GLU 128 OK 15 92 - 17 - 2.9/1934=3, 3.0/7765=3...(7) HA LYS 96 + H GLU 128 OK 10 100 - 10 - 8329/4.0=2, 3.0/1837=2...(4) HA LYS 44 - H GLU 128 lone 4 100 - 4 - HA GLU 69 - H GLU 128 lone 3 96 - 3 - HA GLU 37 - H GLU 128 lone 2 99 - 2 - HA SER 35 - H GLU 128 lone 1 70 - 2 - Peak 2264 from nnoeabs.peaks (4.14, 8.08, 119.78 ppm; 4.34 A): 3 out of 9 assignments used, quality = 0.66: * HA ALA 124 + H GLU 128 OK 51 100 - 51 - 8318/4.6=19, 8321/4.2=14...(7) HA ARG 95 + H GLU 128 OK 19 98 - 20 - 3.0/1837=4, 8223=3...(7) HA GLU 89 + H GLU 128 OK 13 100 - 13 - 8178=4, 2257/4.6=2...(4) HA LEU 63 - H GLU 128 lone 7 92 - 8 - 3.0/808=1, 8322/4.2=1...(5) HA LEU 70 - H GLU 128 lone 6 70 - 9 - 10653/4.8=2, 8322/4.2=2...(5) HA LEU 45 - H GLU 128 lone 6 99 - 6 - 10653/4.8=2, 8322/4.2=1 HA GLN 122 - H GLU 128 lone 4 94 - 5 - 2257/4.6=1 HA VAL 22 - H GLU 128 lone 3 87 - 3 - HA3 GLY 26 - H GLU 128 lone 1 65 - 1 - Peak 9033 from nnoeabs.peaks (8.38, 9.08, 127.78 ppm; 4.71 A): 1 out of 6 assignments used, quality = 0.65: H PHE 79 + H LEU 4 OK 65 90 - 73 - 3.6/9041=32, 9891=26...(10) H ASP 36 - H LEU 4 lone 5 100 - 5 - 9341/9884=2, 7700/9041=1 H MET 67 - H LEU 4 lone 5 94 - 5 - 9699/7308=1 H ASP 31 - H LEU 4 lone 4 96 - 5 - 10690/2=1 H ASN 11 - H LEU 4 lone 2 61 - 4 - 9142/4.4=2 H LYS 123 - H LEU 4 lone 2 77 - 2 - Peak 9034 from nnoeabs.peaks (8.30, 9.08, 127.78 ppm; 5.61 A): 0 out of 4 assignments used, low quality = 0.37: H LYS 77 - H LEU 4 OK 37 81 - 46 - 9846=33, 9856/4.4=19 H GLU 103 - H LEU 4 lone 4 81 - 5 - 10215/4.4=3 H MET 121 - H LEU 4 lone 3 84 - 4 - H GLU 13 - H LEU 4 lone 1 77 - 1 - Peak 9041 from nnoeabs.peaks (5.17, 9.08, 127.78 ppm; 3.96 A): 1 out of 2 assignments used, quality = 0.69: * HA VAL 78 + H LEU 4 OK 69 100 - 69 - 9889=29, 3.6/9033=16...(10) HA ILE 7 - H LEU 4 lone 7 81 - 9 - 4.1/9087=3, 3.2/10665=2...(5) Peak 9057 from nnoeabs.peaks (5.64, 8.77, 123.01 ppm; 4.69 A): 1 out of 1 assignment used, quality = 0.75: * HA LEU 55 + H ILE 5 OK 75 100 - 75 - 9525=31, 9058/3.9=28...(8) Peak 9065 from nnoeabs.peaks (5.55, 9.23, 129.32 ppm; 3.98 A): 1 out of 1 assignment used, quality = 0.72: * HA LEU 80 + H LEU 6 OK 72 100 - 72 - 9939=35, 3.6/9071=18...(8) Peak 9066 from nnoeabs.peaks (2.06, 9.23, 129.32 ppm; 5.45 A): 3 out of 14 assignments used, quality = 0.62: HB3 PHE 79 + H LEU 6 OK 44 81 - 55 - 4.0/9892=36, 9896/3.6=15...(7) HB3 MET 67 + H LEU 6 OK 23 87 - 27 - 11564/4.8=9, 11610/4.8=7...(5) HB VAL 117 + H LEU 6 OK 12 81 - 15 - 10943/4.4=5, 2.1/1048=2 HB2 GLN 28 - H LEU 6 lone 5 100 - 5 - 10943/4.4=2 HB2 GLU 13 - H LEU 6 lone 5 100 - 5 - 10909/4.8=2 HB2 LYS 94 - H LEU 6 lone 3 94 - 4 - 10978/9940=1 HB2 GLU 92 - H LEU 6 lone 3 96 - 3 - HB3 MET 121 - H LEU 6 lone 2 73 - 3 - 11610/4.8=1 HB3 GLU 91 - H LEU 6 lone 2 96 - 2 - HB3 GLN 100 - H LEU 6 lone 2 84 - 3 - HB3 GLU 98 - H LEU 6 lone 2 96 - 2 - HG3 GLU 52 - H LEU 6 lone 2 70 - 3 - 10943/4.4=1 HB2 GLU 47 - H LEU 6 lone 2 99 - 2 - HG2 GLU 119 - H LEU 6 lone 1 77 - 2 - Peak 9070 from nnoeabs.peaks (8.37, 9.23, 129.32 ppm; 4.54 A): 2 out of 4 assignments used, quality = 0.81: H PHE 79 + H LEU 6 OK 78 100 - 78 - 9892=48, 9894/3.6=17...(11) H ASP 31 + H LEU 6 OK 14 99 - 14 - 10690/3.6=6, 172/4.5=2...(5) H ASP 36 - H LEU 6 poor 8 77 - 10 - 10690/3.6=5, 9341/4.8=2 H ASN 11 - H LEU 6 lone 2 97 - 2 - Peak 9071 from nnoeabs.peaks (9.06, 9.23, 129.32 ppm; 4.71 A): 2 out of 2 assignments used, quality = 0.74: H LEU 81 + H LEU 6 OK 70 100 - 70 - 3.6/9065=35, 9941=32...(9) H LEU 4 + H LEU 6 OK 13 61 - 21 - 9033/9892=4, 2/3.6=4...(8) Peak 9078 from nnoeabs.peaks (4.91, 8.93, 120.75 ppm; 4.91 A): 2 out of 3 assignments used, quality = 0.76: HA ILE 57 + H ILE 7 OK 61 100 - 61 - 4.2/9581=23, 9080/3.9=12...(10) HA LEU 82 + H ILE 7 OK 39 100 - 39 - 10673/4.7=21...(6) HA ARG 105 - H ILE 7 lone 9 100 - 9 - 9080/3.9=4, 9094/4.7=2 Peak 9086 from nnoeabs.peaks (9.20, 8.93, 120.75 ppm; 4.65 A): 1 out of 1 assignment used, quality = 0.48: H ILE 56 + H ILE 7 OK 48 73 - 66 - 9530=33, 9072/3.6=22...(6) Peak 9090 from nnoeabs.peaks (8.45, 8.63, 125.54 ppm; 5.90 A): 3 out of 5 assignments used, quality = 0.79: H GLN 83 + H ASN 8 OK 69 87 - 80 - 9989=37, 3.6/10673=33...(6) H ASN 10 + H ASN 8 OK 23 94 - 24 - 1858/4.6=13, 9092/4.0=6...(4) H VAL 32 + H ASN 8 OK 10 96 - 11 - 1207/7332=2, 1207/3.8=2...(4) H ILE 3 - H ASN 8 lone 6 99 - 6 - 4.6/10746=3 H GLN 62 - H ASN 8 lone 5 77 - 6 - 9092/4.0=1, 1858/4.6=1 Peak 9093 from nnoeabs.peaks (8.05, 7.37, 107.51 ppm; 4.45 A): 2 out of 7 assignments used, quality = 0.79: H THR 9 + HD21 ASN 8 OK 69 96 - 72 - 3.6/823=32, 40=28...(5) H LYS 65 + HD21 ASN 8 OK 32 81 - 40 - 40=12, 41/1.7=10...(6) H LEU 90 - HD21 ASN 8 lone 2 99 - 2 - H GLN 122 - HD21 ASN 8 lone 2 100 - 2 - H HIS 131 - HD21 ASN 8 lone 1 97 - 1 - H VAL 22 - HD21 ASN 8 lone 1 77 - 1 - H ASP 109 - HD21 ASN 8 lone 1 73 - 1 - Peak 9094 from nnoeabs.peaks (4.91, 8.63, 125.54 ppm; 4.29 A): 2 out of 3 assignments used, quality = 0.81: * HA LEU 82 + H ASN 8 OK 71 100 - 71 - 10673=28, 3.6/9989=23...(8) HA ILE 57 + H ASN 8 OK 35 100 - 35 - 9078/4.7=10, 9080/4.5=9...(8) HA ARG 105 - H ASN 8 lone 9 99 - 9 - 9080/4.5=2, 9078/4.7=2...(5) Peak 9096 from nnoeabs.peaks (4.71, 7.37, 107.51 ppm; 4.72 A): 1 out of 5 assignments used, quality = 0.49: HA ASN 59 + HD21 ASN 8 OK 49 99 - 50 - 9097/1.7=33...(3) HA ASN 24 - HD21 ASN 8 lone 4 92 - 4 - 9097/1.7=3 HA ASP 34 - HD21 ASN 8 lone 2 99 - 2 - 9097/1.7=2 HA ASN 11 - HD21 ASN 8 lone 1 81 - 1 - HA LYS 53 - HD21 ASN 8 lone 1 65 - 1 - Peak 9097 from nnoeabs.peaks (4.71, 6.25, 107.51 ppm; 4.78 A): 1 out of 4 assignments used, quality = 0.50: HA ASN 59 + HD22 ASN 8 OK 50 100 - 50 - 9096/1.7=34, 3.6/9634=20 HA ASN 24 - HD22 ASN 8 lone 5 99 - 5 - 9096/1.7=3 HA ASP 34 - HD22 ASN 8 lone 2 94 - 3 - 9096/1.7=2 HA ASN 11 - HD22 ASN 8 lone 1 61 - 2 - Peak 9098 from nnoeabs.peaks (0.82, 8.63, 125.54 ppm; 3.95 A): 3 out of 8 assignments used, quality = 0.75: QD2 LEU 82 + H ASN 8 OK 59 100 - 59 - 9970/4.0=21, 9971/4.0=21...(6) QD1 LEU 64 + H ASN 8 OK 29 90 - 33 - 11688/3.0=16, 9104/4.0=6...(7) QG2 ILE 57 + H ASN 8 OK 16 77 - 20 - 3.2/9094=8, 9567/3.6=4...(5) QG2 ILE 71 - H ASN 8 poor 10 96 - 10 - 9797/5.5=5, 9099/3.0=2...(4) QD1 LEU 114 - H ASN 8 poor 9 57 - 16 - 11688/3.0=5, 10448/4.0=4...(5) QD1 LEU 74 - H ASN 8 lone 4 96 - 4 - QD2 LEU 74 - H ASN 8 lone 4 98 - 4 - QG2 ILE 5 - H ASN 8 lone 3 73 - 5 - 10745/3.6=2, 10672/4.7=1 Peak 9106 from nnoeabs.peaks (0.81, 7.37, 107.51 ppm; 4.19 A): 6 out of 8 assignments used, quality = 0.89: QD1 LEU 64 + HD21 ASN 8 OK 53 97 - 55 - 9104/3.5=17...(8) QG2 ILE 71 + HD21 ASN 8 OK 40 92 - 44 - 3.2/10752=15, ~10753=13...(6) QD1 LEU 114 + HD21 ASN 8 OK 33 100 - 33 - 10448/3.5=12...(5) QD2 LEU 82 + HD21 ASN 8 OK 25 65 - 39 - 9970/3.5=15, 9971/3.5=15...(5) QD1 LEU 74 + HD21 ASN 8 OK 13 92 - 15 - 9819/10752=5, 9107/1.7=2...(6) QD2 LEU 74 + HD21 ASN 8 OK 12 87 - 14 - 11347/10752=5...(5) QD1 LEU 81 - HD21 ASN 8 lone 2 65 - 2 - QG1 VAL 29 - HD21 ASN 8 lone 1 97 - 1 - Peak 9107 from nnoeabs.peaks (0.81, 6.25, 107.51 ppm; 4.59 A): 6 out of 8 assignments used, quality = 0.91: QD1 LEU 64 + HD22 ASN 8 OK 57 97 - 58 - 9104/3.5=19...(8) QG2 ILE 71 + HD22 ASN 8 OK 42 92 - 46 - 3.2/10753=20, ~10752=15...(5) QD1 LEU 114 + HD22 ASN 8 OK 36 100 - 36 - 10448/3.5=14...(4) QD2 LEU 82 + HD22 ASN 8 OK 29 65 - 44 - 9970/3.5=17, 9971/3.5=17...(5) QD1 LEU 74 + HD22 ASN 8 OK 14 92 - 15 - 9819/10753=7, 9106/1.7=3...(4) QD2 LEU 74 + HD22 ASN 8 OK 12 87 - 14 - 11347/10753=7...(4) QD1 LEU 81 - HD22 ASN 8 lone 2 65 - 3 - QG1 VAL 29 - HD22 ASN 8 lone 2 97 - 2 - Peak 9127 from nnoeabs.peaks (8.81, 8.04, 118.49 ppm; 4.15 A): 2 out of 10 assignments used, quality = 0.51: H SER 58 + H THR 9 OK 44 100 - 45 - 9589/3.6=26, 9585=19, 4.4/9579=7 H ASN 59 + H THR 9 OK 12 61 - 19 - 4.6/9585=10, 9091/3.6=8 H SER 58 - H LYS 65 poor 10 78 - 13 - 9585=5, 9589/7333=3...(4) H PHE 120 - H LYS 65 lone 4 59 - 7 - 4.6/747=3, 2220=2 H LYS 106 - H THR 9 lone 3 98 - 3 - H ASN 59 - H LYS 65 lone 3 41 - 7 - 4.6/9585=3, 10437/4.7=2 H PHE 120 - H THR 9 lone 3 84 - 3 - H LYS 106 - H LYS 65 lone 3 74 - 3 - H ILE 54 - H THR 9 lone 1 94 - 1 - H ILE 54 - H LYS 65 lone 1 69 - 1 - Peak 9128 from nnoeabs.peaks (6.19, 8.44, 123.27 ppm; 3.77 A): 1 out of 1 assignment used, quality = 0.50: HG1 THR 9 + H ASN 10 OK 50 81 - 63 - 4.1/43=24, 2.8/44=22...(8) Peak 9129 from nnoeabs.peaks (0.76, 8.44, 123.27 ppm; 4.57 A): 4 out of 11 assignments used, quality = 0.71: QD1 ILE 15 + H ASN 10 OK 51 100 - 51 - 9175/3.0=35, 9171/4.6=18...(4) QD2 LEU 14 + H ASN 10 OK 26 100 - 26 - 11006/9128=11...(4) QD1 ILE 7 + H ASN 10 OK 11 99 - 12 - 11584/4.0=8, 9144/4.6=1 QG2 ILE 7 + H ASN 10 OK 11 61 - 19 - 9082/4.7=9, 11583/4.0=5 QG2 VAL 32 - H ASN 10 lone 9 100 - 8 - 3427=3, ~11485=2...(4) QD1 LEU 45 - H ASN 10 lone 4 94 - 5 - 9144/4.6=2, 9140/9131=1 QD1 LEU 82 - H ASN 10 lone 4 77 - 6 - 2.1/7726=3, 2.1/7725=2 QG2 ILE 54 - H ASN 10 lone 4 70 - 6 - 9488/3.6=2, 9108/4.7=1 QG1 VAL 107 - H ASN 10 lone 3 100 - 3 - 10009/9130=2 QD1 LEU 80 - H ASN 10 lone 1 87 - 1 - QD2 LEU 80 - H ASN 10 lone 1 84 - 1 - Peak 9130 from nnoeabs.peaks (2.21, 8.44, 123.27 ppm; 6.15 A): 1 out of 7 assignments used, quality = 0.74: HB2 GLN 83 + H ASN 10 OK 74 100 - 74 - 9995/4.7=35, 9991/3.6=32...(5) HB2 GLN 100 - H ASN 10 lone 8 100 - 8 - 10757/4.0=3, 9110/4.7=2 HB2 MET 67 - H ASN 10 lone 6 92 - 7 - 10757/4.0=4, 9110/4.7=2 HG3 GLN 28 - H ASN 10 lone 3 90 - 3 - HB2 GLU 69 - H ASN 10 lone 2 87 - 3 - HG2 GLU 48 - H ASN 10 lone 2 90 - 3 - HB3 MET 1 - H ASN 10 lone 2 77 - 2 - Peak 9131 from nnoeabs.peaks (3.02, 8.44, 123.27 ppm; 5.00 A): 1 out of 9 assignments used, quality = 0.54: HB2 ASN 11 + H ASN 10 OK 54 99 - 55 - 4.1/1859=36...(5) HE2 LYS 94 - H ASN 10 lone 3 100 - 3 - 11098/4.0=1 HE3 LYS 49 - H ASN 10 lone 3 97 - 3 - HE2 LYS 49 - H ASN 10 lone 3 97 - 3 - HB2 PHE 51 - H ASN 10 lone 2 99 - 2 - HB3 PHE 93 - H ASN 10 lone 2 81 - 2 - HE2 LYS 123 - H ASN 10 lone 2 94 - 2 - HE3 LYS 123 - H ASN 10 lone 1 84 - 2 - HB2 ASN 59 - H ASN 10 lone 1 77 - 1 - Peak 9132 from nnoeabs.peaks (6.19, 8.37, 120.92 ppm; 3.49 A): 1 out of 1 assignment used, quality = 0.55: HG1 THR 9 + H ASN 11 OK 55 96 - 58 - 3.0/9126=20, 2.8/9141=19...(6) Peak 9141 from nnoeabs.peaks (4.32, 8.37, 120.92 ppm; 4.38 A): 1 out of 4 assignments used, quality = 0.70: HB THR 9 + H ASN 11 OK 70 98 - 72 - 2.8/9132=40, 2.1/9126=36 HA LYS 49 - H ASN 11 lone 1 100 - 1 - HA GLN 100 - H ASN 11 lone 1 99 - 1 - HA GLN 85 - H ASN 11 lone 1 61 - 1 - Peak 9142 from nnoeabs.peaks (1.81, 8.37, 120.92 ppm; 5.11 A): 2 out of 10 assignments used, quality = 0.59: HB2 LEU 14 + H ASN 11 OK 49 87 - 57 - 9137/4.1=17, 9145/4.1=16...(7) HB ILE 3 + H ASN 11 OK 20 99 - 20 - 9001/3.0=6, 9145/4.1=4...(5) HB ILE 57 - H ASN 11 poor 9 87 - 11 - 9137/4.1=2, 9577/4.6=2...(4) HG12 ILE 5 - H ASN 11 lone 9 99 - 9 - 9145/4.1=2, 9137/4.1=2 HB ILE 18 - H ASN 11 lone 7 92 - 8 - 10975/9126=3, 9137/4.1=2 HB3 ARG 105 - H ASN 11 lone 4 99 - 4 - HB ILE 97 - H ASN 11 lone 3 100 - 3 - HG2 ARG 105 - H ASN 11 lone 3 98 - 3 - HB2 ARG 118 - H ASN 11 lone 3 87 - 3 - QE MET 121 - H ASN 11 lone 2 61 - 4 - Peak 9143 from nnoeabs.peaks (0.86, 8.37, 120.92 ppm; 3.32 A): 3 out of 11 assignments used, quality = 0.79: QG2 THR 9 + H ASN 11 OK 67 97 - 69 - 3.0/9132=24, 9126=23...(9) QD1 LEU 14 + H ASN 11 OK 26 100 - 26 - 2.1/9144=10, 3.1/9142=6...(6) QG2 ILE 15 + H ASN 11 OK 15 94 - 16 - 3.0/9171=12, 9139/4.1=2 QG1 VAL 32 - H ASN 11 lone 4 90 - 4 - 2.1/9144=1 HG13 ILE 57 - H ASN 11 lone 3 100 - 3 - 2.9/9142=1 HG13 ILE 5 - H ASN 11 lone 2 92 - 3 - 1.8/9142=1 QG2 VAL 107 - H ASN 11 lone 2 87 - 3 - QG2 ILE 57 - H ASN 11 lone 2 73 - 2 - 2.1/9142=1 QG2 ILE 5 - H ASN 11 lone 2 77 - 2 - 3.2/9142=1 QG2 VAL 22 - H ASN 11 lone 1 100 - 1 - QG2 VAL 117 - H ASN 11 lone 1 94 - 1 - Peak 9144 from nnoeabs.peaks (0.76, 8.37, 120.92 ppm; 3.72 A): 2 out of 11 assignments used, quality = 0.74: QD1 ILE 15 + H ASN 11 OK 51 100 - 51 - 9175/3.6=21, 9171=18...(8) QD2 LEU 14 + H ASN 11 OK 46 100 - 46 - 9170/4.1=10...(9) QD1 LEU 45 - H ASN 11 lone 8 94 - 9 - 9439/4.1=4, 9140/4.1=3 QD1 ILE 7 - H ASN 11 lone 7 99 - 7 - 11584/9126=2, 9129/4.6=1 QG2 VAL 32 - H ASN 11 lone 5 100 - 5 - 2.1/9143=1, 9129/4.6=1 QG2 ILE 7 - H ASN 11 lone 4 61 - 7 - 9082/9141=3...(3) QG1 VAL 107 - H ASN 11 lone 4 100 - 4 - QG2 ILE 54 - H ASN 11 lone 2 70 - 2 - QD1 LEU 80 - H ASN 11 lone 1 87 - 2 - QD1 LEU 82 - H ASN 11 lone 1 77 - 1 - QD2 LEU 80 - H ASN 11 lone 1 84 - 1 - Peak 9149 from nnoeabs.peaks (1.82, 7.33, 114.07 ppm; 5.56 A): 2 out of 22 assignments used, quality = 1.00: HB2 LEU 14 + HD21 ASN 11 OK 96 100 - 96 - 9137/3.5=22...(23) HB2 LEU 14 + HD22 ASN 11 OK 96 100 - 96 - 9137/3.5=22...(23) HB ILE 3 - HD21 ASN 11 OK 12 73 - 16 - 9145/3.5=4, 9137/3.5=4...(4) HB ILE 3 - HD22 ASN 11 OK 12 73 - 16 - 9145/3.5=4, 9137/3.5=4...(4) HB ILE 57 - HD22 ASN 11 OK 11 100 - 11 - 9137/3.5=3, 9145/3.5=2 HB ILE 57 - HD21 ASN 11 OK 11 100 - 11 - 9137/3.5=3, 9145/3.5=2 HG12 ILE 5 - HD21 ASN 11 poor 9 77 - 11 - 9137/3.5=2, 9145/3.5=2 HG12 ILE 5 - HD22 ASN 11 poor 9 77 - 11 - 9137/3.5=2, 9145/3.5=2 HB ILE 18 - HD22 ASN 11 lone 7 100 - 7 - 9137/3.5=2, 9145/3.5=2...(4) HB ILE 18 - HD21 ASN 11 lone 7 100 - 7 - 9137/3.5=2, 9145/3.5=2 HB3 ARG 105 - HD21 ASN 11 lone 5 98 - 5 - 9137/3.5=1, 9145/3.5=1 HB3 ARG 105 - HD22 ASN 11 lone 5 98 - 5 - 9137/3.5=1, 9145/3.5=1 QE MET 121 - HD22 ASN 11 lone 5 95 - 5 - 9137/3.5=1, 1090/10765=1 QE MET 121 - HD21 ASN 11 lone 5 96 - 5 - 9137/3.5=1, 1090/10765=1 HB ILE 97 - HD21 ASN 11 lone 4 81 - 5 - 9145/3.5=1, 9137/3.5=1 HB ILE 97 - HD22 ASN 11 lone 4 80 - 5 - 9145/3.5=1, 9137/3.5=1 HG2 ARG 105 - HD21 ASN 11 lone 4 70 - 5 - HG2 ARG 105 - HD22 ASN 11 lone 4 69 - 5 - HB3 LYS 19 - HD22 ASN 11 lone 2 87 - 2 - HB3 LYS 19 - HD21 ASN 11 lone 2 87 - 2 - HB3 LYS 77 - HD21 ASN 11 lone 1 61 - 1 - HB3 LYS 77 - HD22 ASN 11 lone 1 61 - 1 - Peak 9150 from nnoeabs.peaks (1.49, 7.33, 114.07 ppm; 4.76 A): 3 out of 18 assignments used, quality = 0.95: HB3 LEU 14 + HD21 ASN 11 OK 74 84 - 88 - 9138/3.5=15...(22) HB3 LEU 14 + HD22 ASN 11 OK 74 84 - 88 - 3.1/11004=15...(22) HB3 LEU 45 + HD21 ASN 11 OK 31 100 - 32 - 9138/3.5=8, 9146/3.5=8...(8) HB3 LEU 45 - HD22 ASN 11 OK 31 100 - 32 - 9138/3.5=8, 9146/3.5=8...(8) HG3 ARG 118 - HD21 ASN 11 lone 4 100 - 4 - 9146/3.5=1, 9138/3.5=1 HG3 ARG 118 - HD22 ASN 11 lone 4 100 - 4 - 9146/3.5=1, 9138/3.5=1 HG3 LYS 73 - HD21 ASN 11 lone 2 97 - 2 - HD2 LYS 53 - HD21 ASN 11 lone 2 99 - 2 - HD2 LYS 53 - HD22 ASN 11 lone 2 99 - 2 - HG3 LYS 73 - HD22 ASN 11 lone 2 97 - 2 - HG3 LYS 20 - HD21 ASN 11 lone 2 94 - 2 - HG3 LYS 20 - HD22 ASN 11 lone 2 94 - 2 - HG2 ARG 30 - HD21 ASN 11 lone 1 87 - 2 - HG2 ARG 30 - HD22 ASN 11 lone 1 87 - 2 - QB ALA 124 - HD21 ASN 11 lone 1 61 - 1 - QB ALA 124 - HD22 ASN 11 lone 1 61 - 1 - HB2 LEU 74 - HD21 ASN 11 lone 1 61 - 1 - HB2 LEU 74 - HD22 ASN 11 lone 1 61 - 1 - Peak 9151 from nnoeabs.peaks (0.86, 7.33, 114.07 ppm; 5.30 A): 4 out of 18 assignments used, quality = 1.00: QD1 LEU 14 + HD21 ASN 11 OK 94 100 - 95 - 2.1/11004=20, ~11004=18...(24) QD1 LEU 14 + HD22 ASN 11 OK 94 100 - 95 - 2.1/11004=20, ~11004=18...(24) QG2 THR 9 + HD21 ASN 11 OK 65 100 - 65 - 9126/5.6=25...(7) QG2 THR 9 + HD22 ASN 11 OK 65 100 - 65 - 9126/5.6=25...(7) QG2 ILE 15 - HD21 ASN 11 OK 21 81 - 26 - 9139/3.5=5, ~9140=5...(8) QG2 ILE 15 - HD22 ASN 11 OK 21 80 - 26 - 9139/3.5=5, ~9140=5...(8) HG13 ILE 57 - HD22 ASN 11 lone 9 100 - 9 - ~9137=1, 9147/3.5=1...(5) HG13 ILE 57 - HD21 ASN 11 lone 9 100 - 9 - ~9137=1, 9147/3.5=1...(5) QG2 VAL 107 - HD21 ASN 11 lone 9 97 - 9 - 9147/3.5=2, 9139/3.5=1, ~9148=1 QG2 VAL 107 - HD22 ASN 11 lone 9 97 - 9 - 9147/3.5=2, 9139/3.5=1, ~9148=1 QG1 VAL 32 - HD21 ASN 11 lone 8 98 - 7 - 9147/3.5=1, 9139/3.5=1 QG1 VAL 32 - HD22 ASN 11 lone 8 98 - 7 - 9147/3.5=1, 9139/3.5=1 HG13 ILE 5 - HD21 ASN 11 lone 7 77 - 9 - ~9145=2, ~9137=2...(5) HG13 ILE 5 - HD22 ASN 11 lone 7 77 - 10 - ~9145=2, ~9137=2...(5) QG2 VAL 22 - HD22 ASN 11 lone 3 97 - 3 - QG2 VAL 22 - HD21 ASN 11 lone 3 97 - 3 - QG2 VAL 117 - HD22 ASN 11 lone 2 99 - 2 - QG2 VAL 117 - HD21 ASN 11 lone 2 99 - 2 - Peak 9152 from nnoeabs.peaks (0.77, 7.33, 114.07 ppm; 4.75 A): 2 out of 20 assignments used, quality = 0.99: QD2 LEU 14 + HD21 ASN 11 OK 89 98 - 91 - 11004/1.7=21, 11004=21...(24) QD2 LEU 14 + HD22 ASN 11 OK 89 98 - 91 - 11004=21, 11004/1.7=21...(24) QD1 ILE 15 - HD22 ASN 11 OK 29 99 - 30 - 9171/5.6=16, 9140/3.5=5...(8) QD1 ILE 15 - HD21 ASN 11 OK 29 99 - 30 - 9171/5.6=16, 9140/3.5=5...(8) QD1 LEU 45 - HD21 ASN 11 OK 23 77 - 30 - ~9438=8, 9439/3.5=5...(8) QD1 LEU 45 - HD22 ASN 11 OK 23 77 - 30 - ~9438=8, 9439/3.5=5...(8) QG1 VAL 107 - HD21 ASN 11 lone 7 98 - 7 - QG1 VAL 107 - HD22 ASN 11 lone 7 98 - 7 - QG2 VAL 32 - HD21 ASN 11 lone 6 98 - 6 - QG2 VAL 32 - HD22 ASN 11 lone 6 98 - 6 - QD1 ILE 7 - HD22 ASN 11 lone 5 100 - 5 - 9144/5.6=1 QD1 ILE 7 - HD21 ASN 11 lone 5 100 - 5 - 9144/5.6=1 QD2 LEU 80 - HD21 ASN 11 lone 2 97 - 2 - QD2 LEU 80 - HD22 ASN 11 lone 2 97 - 2 - QD1 LEU 80 - HD21 ASN 11 lone 2 98 - 2 - QD1 LEU 80 - HD22 ASN 11 lone 2 98 - 2 - QD1 LEU 82 - HD21 ASN 11 lone 2 94 - 2 - QD1 LEU 82 - HD22 ASN 11 lone 2 94 - 2 - QD2 LEU 64 - HD21 ASN 11 lone 1 81 - 1 - QD2 LEU 64 - HD22 ASN 11 lone 1 80 - 1 - Peak 9153 from nnoeabs.peaks (0.77, 8.59, 126.31 ppm; 4.64 A): 2 out of 10 assignments used, quality = 0.87: QD1 ILE 15 + H ASP 12 OK 79 92 - 86 - 9174/3.0=30, 9172=20...(15) QD2 LEU 14 + H ASP 12 OK 39 90 - 44 - 4.3/1972=19, 9170/4.4=12...(6) QG1 VAL 107 - H ASP 12 lone 5 90 - 5 - QD1 ILE 7 - H ASP 12 lone 5 97 - 5 - 9144/4.6=1 QG2 VAL 32 - H ASP 12 lone 3 90 - 3 - QD1 LEU 80 - H ASP 12 lone 3 100 - 3 - QD2 LEU 80 - H ASP 12 lone 2 100 - 2 - QD1 LEU 82 - H ASP 12 lone 2 99 - 2 - QD1 LEU 81 - H ASP 12 lone 1 77 - 1 - QD2 LEU 64 - H ASP 12 lone 1 94 - 1 - Peak 9157 from nnoeabs.peaks (2.64, 7.58, 121.68 ppm; 5.15 A): 3 out of 5 assignments used, quality = 0.92: HB3 ASP 12 + H LEU 14 OK 68 100 - 68 - 4.6/62=35, 4.0/1972=25...(5) HB2 ASP 12 + H LEU 14 OK 68 100 - 68 - 4.6/62=35, 4.0/1972=25...(5) HG3 MET 121 + H LEU 14 OK 19 70 - 28 - ~10585=12, 1.8/9162=6...(5) HG2 MET 42 - H LEU 14 lone 2 81 - 2 - HE2 LYS 53 - H LEU 14 lone 2 81 - 2 - Peak 9158 from nnoeabs.peaks (2.73, 7.58, 121.68 ppm; 5.48 A): 3 out of 6 assignments used, quality = 0.89: HB3 ASN 11 + H LEU 14 OK 83 92 - 90 - 1.8/9159=39, 9135=37...(9) HG3 GLU 37 + H LEU 14 OK 19 98 - 19 - 10771/4.0=5, 9368/4.3=5...(5) HB3 ASP 109 + H LEU 14 OK 17 99 - 18 - 10364/4.3=6, 10771/4.0=4...(5) HB3 TYR 102 - H LEU 14 lone 3 70 - 4 - HB2 ASP 60 - H LEU 14 lone 3 100 - 3 - HE3 LYS 53 - H LEU 14 lone 1 70 - 2 - Peak 9159 from nnoeabs.peaks (3.04, 7.58, 121.68 ppm; 5.09 A): 1 out of 4 assignments used, quality = 0.80: HB2 ASN 11 + H LEU 14 OK 80 90 - 90 - 9136=36, 1.8/9135=30...(11) HB3 PHE 93 - H LEU 14 lone 4 100 - 4 - 4.3/1975=1 HE2 LYS 94 - H LEU 14 lone 4 61 - 6 - 3.8/1092=1 HB2 PHE 51 - H LEU 14 lone 3 90 - 3 - 9167/4.0=1 Peak 9160 from nnoeabs.peaks (0.64, 7.58, 121.68 ppm; 5.41 A): 3 out of 6 assignments used, quality = 0.83: HG13 ILE 15 + H LEU 14 OK 71 96 - 75 - 5.0/1863=31, ~9163=19...(13) QG1 VAL 22 + H LEU 14 OK 25 98 - 25 - ~7977=5, 9165/4.0=4...(7) QD1 ILE 54 + H LEU 14 OK 22 94 - 23 - 11330/4.0=4, 9165/4.0=4...(9) QD1 LEU 4 - H LEU 14 lone 7 100 - 7 - 1100/4.6=1, 9165/4.0=1 QD1 ILE 71 - H LEU 14 lone 6 92 - 6 - 2.1/9161=1 QD1 ILE 56 - H LEU 14 lone 4 70 - 6 - 10920/2870=1, 10918/2850=1 Peak 9161 from nnoeabs.peaks (1.70, 7.58, 121.68 ppm; 4.65 A): 2 out of 17 assignments used, quality = 0.48: HD3 LYS 16 + H LEU 14 OK 30 77 - 39 - 2.9/7369=12, 2.9/7368=11...(8) HD2 LYS 16 + H LEU 14 OK 26 65 - 39 - 2.9/7369=12, 2.9/7368=11...(8) HD2 LYS 20 - H LEU 14 poor 8 73 - 11 - 3.0/1091=2, ~11542=2, ~11543=2 HD3 LYS 20 - H LEU 14 poor 8 70 - 11 - 3.0/1091=2, ~11542=2, ~11543=2 HG3 LYS 39 - H LEU 14 lone 6 99 - 6 - 2.9/9162=2, 2.9/9162=2 HD3 LYS 39 - H LEU 14 lone 5 100 - 5 - 3.5/9162=2, 3.5/9162=1 HD2 LYS 39 - H LEU 14 lone 5 100 - 5 - 3.5/9162=2, 3.5/9162=1 HG3 LYS 123 - H LEU 14 lone 4 99 - 4 - 2.9/9162=1 HG LEU 74 - H LEU 14 lone 3 100 - 3 - 4.9/1865=1 HB3 LYS 106 - H LEU 14 lone 3 90 - 3 - HB2 LYS 106 - H LEU 14 lone 3 84 - 4 - HG12 ILE 71 - H LEU 14 lone 3 92 - 3 - 2.1/9160=1 HD3 LYS 44 - H LEU 14 lone 2 100 - 2 - HD2 LYS 44 - H LEU 14 lone 2 100 - 2 - HB ILE 56 - H LEU 14 lone 2 77 - 2 - HD2 LYS 73 - H LEU 14 lone 2 61 - 3 - HB3 LEU 90 - H LEU 14 lone 1 61 - 2 - Peak 9162 from nnoeabs.peaks (1.94, 7.58, 121.68 ppm; 4.60 A): 2 out of 20 assignments used, quality = 0.61: HB3 LYS 17 + H LEU 14 OK 55 81 - 68 - ~7977=19, 3.0/2850=14...(10) HG2 MET 121 + H LEU 14 OK 15 61 - 24 - ~10585=9, 3.4/1090=5...(5) HB2 LYS 39 - H LEU 14 lone 6 100 - 6 - 2.9/9161=2, 3.5/9161=1 HB3 LYS 39 - H LEU 14 lone 6 87 - 7 - 2.9/9161=2, 3.5/9161=1 HB3 LYS 40 - H LEU 14 lone 5 94 - 5 - 2.7/1092=1, ~7977=1 HB3 LYS 115 - H LEU 14 lone 5 100 - 5 - HB2 LYS 115 - H LEU 14 lone 4 96 - 5 - 7979/3.0=1 HB2 LYS 123 - H LEU 14 lone 4 100 - 4 - 2.9/9161=1 HB3 GLU 41 - H LEU 14 lone 2 84 - 3 - 3.0/1974=2 HB2 LYS 65 - H LEU 14 lone 2 100 - 2 - HB3 LYS 65 - H LEU 14 lone 2 100 - 2 - HB3 GLU 52 - H LEU 14 lone 2 73 - 3 - HB2 GLU 41 - H LEU 14 lone 2 81 - 3 - 3.0/1974=2 HB2 LEU 127 - H LEU 14 lone 2 100 - 2 - HB2 LEU 70 - H LEU 14 lone 2 98 - 2 - HB3 MET 42 - H LEU 14 lone 2 81 - 2 - HB2 LEU 81 - H LEU 14 lone 1 70 - 2 - HB VAL 104 - H LEU 14 lone 1 92 - 1 - HB VAL 29 - H LEU 14 lone 1 70 - 1 - HB3 GLU 128 - H LEU 14 lone 1 65 - 1 - Peak 9184 from nnoeabs.peaks (1.98, 8.79, 120.96 ppm; 3.88 A): 4 out of 7 assignments used, quality = 0.89: HB2 LYS 17 + H ILE 18 OK 67 84 - 80 - 4.6=58, 1.8/95=20...(7) HB3 GLU 21 + H ILE 18 OK 45 97 - 47 - 8006/3.0=23, ~8004=13...(7) HB VAL 22 + H ILE 18 OK 30 99 - 30 - ~10857=10, 8005/3.0=9...(5) HB2 LYS 40 + H ILE 18 OK 11 92 - 12 - 3.0/8062=4, 1114/4.6=3...(4) HB3 ARG 95 - H ILE 18 lone 4 92 - 4 - 3.9/1993=2, 3.9/1993=2 HB3 LYS 96 - H ILE 18 lone 2 94 - 2 - HB3 GLU 103 - H ILE 18 lone 1 97 - 1 - Peak 9185 from nnoeabs.peaks (0.85, 8.79, 120.96 ppm; 3.89 A): 6 out of 11 assignments used, quality = 0.95: QD1 LEU 14 + H ILE 18 OK 47 94 - 50 - 4.0/7981=10, 2665/3.6=8...(15) QG2 VAL 22 + H ILE 18 OK 46 99 - 47 - ~10857=10, 2.1/94=7...(12) QG2 ILE 15 + H ILE 18 OK 42 100 - 42 - 3.2/7983=16, 2.1/95=7...(10) QG2 VAL 117 + H ILE 18 OK 36 77 - 46 - 10514/3.0=16, ~10517=13...(8) HG13 ILE 5 + H ILE 18 OK 35 99 - 35 - 2.1/1128=9, 1.8/1124=5...(11) QG2 ILE 5 + H ILE 18 OK 31 94 - 33 - 3.0/1128=8, 9186/3.0=4...(12) QG2 ILE 57 - H ILE 18 OK 21 92 - 23 - 4.0/1867=4, 2.1/1124=4...(9) HG13 ILE 57 - H ILE 18 OK 17 94 - 18 - 4.6/1867=4, 2.9/1124=3...(6) QG2 THR 9 - H ILE 18 OK 16 84 - 19 - 11097/7983=3...(6) QG2 VAL 107 - H ILE 18 lone 3 65 - 5 - 11417/10434=1 QG1 VAL 32 - H ILE 18 lone 2 70 - 3 - Peak 9201 from nnoeabs.peaks (2.10, 7.30, 116.28 ppm; 4.81 A): 3 out of 16 assignments used, quality = 0.70: HB2 GLU 21 + H LYS 20 OK 35 90 - 39 - 4.1/119=34, 8004/2001=7 HG2 GLU 21 + H LYS 20 OK 33 100 - 33 - 5.0/119=27, 10788/2001=4 HG3 GLU 21 + H LYS 20 OK 32 100 - 33 - 5.0/119=27, 10788/2001=4 HB VAL 107 - H LYS 20 lone 7 90 - 8 - 10897/4.4=5, 11456/5.0=1 HB2 LEU 38 - H LYS 20 lone 4 94 - 4 - HB2 GLU 87 - H LYS 20 lone 3 90 - 3 - 7745/4.5=1 HB2 GLU 111 - H LYS 20 lone 2 98 - 2 - HG3 GLN 83 - H LYS 20 lone 1 87 - 2 - HB3 GLU 119 - H LYS 20 lone 1 94 - 1 - HB2 GLU 119 - H LYS 20 lone 1 87 - 1 - HB3 GLU 92 - H LYS 20 lone 1 100 - 1 - HG2 GLU 52 - H LYS 20 lone 1 99 - 1 - HB3 GLU 47 - H LYS 20 lone 1 99 - 1 - HB3 GLU 66 - H LYS 20 lone 1 87 - 1 - HB3 GLU 69 - H LYS 20 lone 1 73 - 1 - HB2 GLU 103 - H LYS 20 lone 1 65 - 1 - Peak 9202 from nnoeabs.peaks (0.84, 7.30, 116.28 ppm; 5.36 A): 7 out of 8 assignments used, quality = 0.93: QG2 VAL 22 + H LYS 20 OK 55 94 - 59 - 10859/3.6=41...(6) QG2 ILE 57 + H LYS 20 OK 45 99 - 45 - 3.0/9203=17, 9204/4.6=9...(8) HG13 ILE 57 + H LYS 20 OK 34 81 - 42 - 2.1/9203=19, 4.6/109=7...(7) QD1 LEU 14 + H LYS 20 OK 22 81 - 27 - 4.0/2003=7, 3.1/1143=4...(9) QG2 ILE 5 + H LYS 20 OK 20 99 - 20 - 9204/4.6=5, 10913/5.0=4...(7) QG2 ILE 15 + H LYS 20 OK 17 100 - 18 - 10913/5.0=5, 9204/4.6=3...(5) HG13 ILE 5 + H LYS 20 OK 15 100 - 15 - 9204/4.6=5, 10781/4.5=2...(6) QG2 THR 9 - H LYS 20 lone 4 65 - 6 - 10781/4.5=1 Peak 9203 from nnoeabs.peaks (0.69, 7.30, 116.28 ppm; 5.05 A): 2 out of 8 assignments used, quality = 0.51: QD1 ILE 57 + H LYS 20 OK 40 81 - 50 - 9560/3.6=17, 4530/4.5=8...(9) QG2 ILE 56 + H LYS 20 OK 19 100 - 19 - 4.4/109=7, 7577/4.5=5...(5) QD2 LEU 4 - H LYS 20 lone 7 77 - 9 - 10737/3.9=2, 10737/3.9=2 QD2 LEU 63 - H LYS 20 lone 7 73 - 9 - 4737/4.6=3, 4.7/1869=3 QD1 LEU 55 - H LYS 20 lone 6 94 - 6 - 9205/4.6=1 QD2 LEU 81 - H LYS 20 lone 5 84 - 6 - 11634/4.4=2 QD1 ILE 116 - H LYS 20 lone 4 84 - 4 - 10476/7995=1 QG2 ILE 97 - H LYS 20 lone 3 90 - 3 - 10114/4.4=1 Peak 9204 from nnoeabs.peaks (0.83, 7.67, 118.49 ppm; 4.02 A): 0 out of 8 assignments used, low quality = 0.00: QG2 ILE 57 - H GLU 21 lone 9 98 - 9 - 9579/4.6=3, 9202/4.6=2 QG2 ILE 5 - H GLU 21 lone 5 97 - 5 - 9186/2008=2, 9202/4.6=1, ~9196=1 HG13 ILE 5 - H GLU 21 lone 5 87 - 5 - 9186/2008=2, ~9196=1 QG2 ILE 15 - H GLU 21 lone 3 84 - 4 - 9186/2008=2 QG2 ILE 71 - H GLU 21 lone 2 70 - 3 - QD1 LEU 74 - H GLU 21 lone 1 70 - 2 - QD2 LEU 74 - H GLU 21 lone 1 77 - 1 - QD2 LEU 82 - H GLU 21 lone 1 94 - 1 - Peak 9205 from nnoeabs.peaks (0.68, 7.67, 118.49 ppm; 4.34 A): 0 out of 7 assignments used, low quality = 0.42: QD2 LEU 114 - H GLU 21 OK 42 97 - 44 - 10446/4.1=14...(7) QD2 LEU 4 - H GLU 21 lone 7 100 - 7 - 10737/4.6=2, 10737/4.6=2 QD1 LEU 55 - H GLU 21 lone 6 97 - 7 - 11246/1152=2 QD1 ILE 56 - H GLU 21 lone 6 73 - 8 - 11249/4.1=2, 9548/4.1=1...(4) QD1 ILE 116 - H GLU 21 lone 4 100 - 4 - 10498/5.0=1 QG2 ILE 56 - H GLU 21 lone 3 70 - 5 - 9203/4.6=2 QG2 ILE 97 - H GLU 21 lone 1 99 - 1 - Peak 9206 from nnoeabs.peaks (8.04, 7.67, 118.49 ppm; 4.43 A): 1 out of 9 assignments used, quality = 0.94: * H VAL 22 + H GLU 21 OK 94 100 - 94 - 4.6=87, 4.7/3128=23...(7) H LYS 65 - H GLU 21 OK 16 100 - 16 - 2086=4, 4.6/384=4...(5) H ASP 109 - H GLU 21 lone 10 100 - 10 - 11655/4.1=4, 11654/4.1=2...(4) H ARG 118 - H GLU 21 lone 7 90 - 7 - 2086=1 H THR 9 - H GLU 21 lone 6 97 - 6 - 9579/9204=1, 2086=1 H SER 72 - H GLU 21 lone 4 81 - 5 - 4.1/9204=2 H LEU 90 - H GLU 21 lone 3 92 - 3 - H GLN 122 - H GLU 21 lone 2 70 - 3 - H GLY 26 - H GLU 21 lone 1 70 - 1 - Peak 9207 from nnoeabs.peaks (8.04, 8.04, 109.03 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * H VAL 22 + H VAL 22 OK 100 100 - 100 Peak 9210 from nnoeabs.peaks (7.57, 8.02, 106.37 ppm; 5.02 A): 0 out of 3 assignments used, low quality = 0.42: HE21 GLN 25 - H GLY 26 OK 42 99 - 43 - 918/3.6=24, 9211/3.0=21...(4) H LEU 14 - H GLY 26 lone 3 94 - 3 - 9211/3.0=2 H LYS 17 - H GLY 26 lone 1 77 - 1 - Peak 9230 from nnoeabs.peaks (9.11, 8.34, 120.36 ppm; 4.60 A): 1 out of 1 assignment used, quality = 0.73: H LEU 55 + H GLN 28 OK 73 98 - 75 - 9524=36, 3.6/9232=28...(8) Peak 9232 from nnoeabs.peaks (4.84, 8.34, 120.36 ppm; 3.88 A): 0 out of 3 assignments used, low quality = 0.41: HA ILE 54 - H GLN 28 OK 41 99 - 41 - 3.6/9230=21, 3.2/9494=11...(4) HA ILE 5 - H GLN 28 lone 9 94 - 10 - 4.2/11356=3, 9233/4.0=3 HA ILE 3 - H GLN 28 lone 1 73 - 1 - Peak 9234 from nnoeabs.peaks (1.11, 8.34, 120.36 ppm; 5.59 A): 0 out of 3 assignments used, low quality = 0.26: HB3 LYS 53 - H GLN 28 OK 26 73 - 35 - 11226/3.6=34 HG2 LYS 19 - H GLN 28 lone 5 73 - 7 - 3.0/1181=3, 4584/4.5=3 HD3 LYS 61 - H GLN 28 lone 2 65 - 3 - 4584/4.5=1 Peak 9235 from nnoeabs.peaks (0.88, 8.34, 120.36 ppm; 5.42 A): 5 out of 8 assignments used, quality = 0.77: QG2 VAL 29 + H GLN 28 OK 42 70 - 61 - ~9239=23, ~10675=23...(5) QG1 VAL 32 + H GLN 28 OK 35 87 - 41 - 9240/3.0=17, 9299/5.2=17...(5) QG2 VAL 104 + H GLN 28 OK 24 99 - 24 - 9240/3.0=11...(4) QG2 VAL 117 + H GLN 28 OK 12 81 - 14 - 10530/4.5=7, 9240/3.0=3...(4) QG2 VAL 107 + H GLN 28 OK 10 90 - 12 - 9240/3.0=4, 11460/4.0=3 QD2 LEU 90 - H GLN 28 lone 8 100 - 8 - 9240/3.0=4, 3.1/1181=1 QD2 LEU 38 - H GLN 28 lone 6 92 - 6 - 9240/3.0=1, 1189/4.6=1 QG2 THR 9 - H GLN 28 lone 3 73 - 4 - Peak 9236 from nnoeabs.peaks (0.75, 8.34, 120.36 ppm; 5.32 A): 3 out of 12 assignments used, quality = 0.90: QG2 ILE 54 + H GLN 28 OK 79 100 - 79 - 3.2/9232=35, 9494=33...(5) QD2 LEU 55 + H GLN 28 OK 40 87 - 46 - 4.7/9230=30, 9522/4.5=12...(4) QG2 VAL 32 + H GLN 28 OK 24 77 - 32 - ~9240=12, 2.1/9235=9...(5) QG1 VAL 107 - H GLN 28 lone 7 77 - 9 - ~9240=3, 2.1/9235=3, 11484/4.0=2 QG2 ILE 7 - H GLN 28 lone 7 99 - 7 - 11484/4.0=2 QD1 ILE 7 - H GLN 28 lone 5 61 - 8 - 9083/4.5=3, 11484/4.0=1 QD1 ILE 15 - H GLN 28 lone 4 73 - 6 - 2.1/9237=3, 11484/4.0=1 QD1 LEU 63 - H GLN 28 lone 4 97 - 4 - QD2 LEU 6 - H GLN 28 lone 4 84 - 5 - 327/9230=1 HG13 ILE 18 - H GLN 28 lone 4 61 - 6 - 4587/4.5=2 QD1 LEU 45 - H GLN 28 lone 2 98 - 2 - QD2 LEU 14 - H GLN 28 lone 2 77 - 3 - Peak 9237 from nnoeabs.peaks (0.64, 8.34, 120.36 ppm; 4.83 A): 5 out of 6 assignments used, quality = 0.92: QD1 ILE 54 + H GLN 28 OK 69 99 - 70 - 4.2/9232=26, 3.1/9494=19...(12) QG1 VAL 22 + H GLN 28 OK 47 100 - 47 - 10858/4.2=21...(6) QD1 ILE 5 + H GLN 28 OK 29 77 - 38 - 4588/4.5=9, 11356=6...(9) QD1 LEU 4 + H GLN 28 OK 23 100 - 23 - 10732/4.2=4, 11481/4.0=3...(9) HG13 ILE 15 + H GLN 28 OK 14 100 - 14 - 10839/4.5=3, 9214/4.2=3...(5) QD1 ILE 71 - H GLN 28 lone 4 77 - 5 - 11483/5.2=1 Peak 9242 from nnoeabs.peaks (0.70, 8.78, 123.48 ppm; 5.67 A): 3 out of 9 assignments used, quality = 0.83: QD1 ILE 57 + H VAL 29 OK 55 94 - 59 - 11362/4.6=26...(5) QD1 LEU 55 + H VAL 29 OK 49 81 - 61 - ~9513=25, 2.1/9527=14...(8) QG2 ILE 56 + H VAL 29 OK 24 99 - 24 - 9254/4.6=14, 4.0/9529=9 QD2 LEU 4 - H VAL 29 poor 8 57 - 14 - 9254/4.6=5, 2.1/7313=4...(4) QD2 LEU 63 - H VAL 29 lone 4 90 - 4 - 10987/10999=1 QD2 LEU 81 - H VAL 29 lone 3 96 - 3 - QG2 ILE 97 - H VAL 29 lone 2 73 - 3 - QD1 LEU 6 - H VAL 29 lone 1 70 - 2 - QD1 ILE 116 - H VAL 29 lone 1 65 - 2 - Peak 9250 from nnoeabs.peaks (8.54, 9.13, 127.79 ppm; 4.71 A): 2 out of 4 assignments used, quality = 0.80: H ILE 57 + H ARG 30 OK 75 100 - 75 - 11361=35, 3.6/10680=32...(8) H LYS 19 + H ARG 30 OK 22 94 - 23 - 4.0/9255=14, 102/4.6=3...(6) H VAL 107 - H ARG 30 lone 3 81 - 4 - 7580/11360=1 H ASN 88 - H ARG 30 lone 2 81 - 2 - Peak 9254 from nnoeabs.peaks (0.69, 9.13, 127.79 ppm; 3.86 A): 3 out of 8 assignments used, quality = 0.64: QG2 ILE 56 + H ARG 30 OK 47 97 - 48 - 3.2/10680=24...(5) QD1 ILE 57 + H ARG 30 OK 17 57 - 30 - 4.9/11361=11, 2.1/1196=8...(6) QD2 LEU 4 + H ARG 30 OK 17 94 - 18 - 11554/2.9=8, 2.1/1196=3...(6) QD1 LEU 55 - H ARG 30 lone 7 100 - 7 - 9242/4.6=3, 11554/2.9=1 QD2 LEU 114 - H ARG 30 lone 4 70 - 6 - 2.1/169=2, 9257/4.0=1 QG2 ILE 97 - H ARG 30 lone 3 99 - 3 - QD2 LEU 81 - H ARG 30 lone 2 61 - 3 - 2.1/169=1 QD1 ILE 116 - H ARG 30 lone 2 97 - 2 - Peak 9255 from nnoeabs.peaks (1.79, 9.13, 127.79 ppm; 4.91 A): 2 out of 10 assignments used, quality = 0.49: HB2 LYS 19 + H ARG 30 OK 39 100 - 39 - 11029/4.3=17...(4) HB3 GLN 28 + H ARG 30 OK 17 97 - 18 - 160/4.6=17 HB VAL 32 - H ARG 30 lone 4 81 - 5 - 10791/9254=2, 10791/11362=1 HB2 LEU 64 - H ARG 30 lone 3 100 - 3 - HG12 ILE 5 - H ARG 30 lone 2 70 - 3 - ~10741=1 HB2 LEU 90 - H ARG 30 lone 2 81 - 3 - HG2 ARG 105 - H ARG 30 lone 2 77 - 3 - HB ILE 97 - H ARG 30 lone 2 65 - 3 - 2.1/9254=1 HB2 ARG 118 - H ARG 30 lone 1 94 - 1 - HB ILE 3 - H ARG 30 lone 1 73 - 1 - Peak 9273 from nnoeabs.peaks (0.76, 8.38, 121.89 ppm; 4.34 A): 2 out of 11 assignments used, quality = 0.46: QG2 VAL 32 + H ASP 31 OK 36 100 - 36 - 3427/4.6=19, ~11682=16...(4) QG2 ILE 54 + H ASP 31 OK 16 73 - 22 - 9260/4.6=9, 9488/3.6=7...(4) QD1 ILE 7 - H ASP 31 lone 8 99 - 8 - 1207/4.6=4, 2.1/175=1 QD1 ILE 15 - H ASP 31 lone 4 100 - 4 - 9171=2 QD2 LEU 14 - H ASP 31 lone 3 100 - 3 - QD1 LEU 45 - H ASP 31 lone 3 96 - 3 - QD1 LEU 80 - H ASP 31 lone 2 84 - 3 - QG2 ILE 7 - H ASP 31 lone 2 65 - 4 - 1207/4.6=1, 3.2/175=1 QG1 VAL 107 - H ASP 31 lone 2 100 - 2 - QD2 LEU 80 - H ASP 31 lone 2 81 - 2 - QD1 LEU 82 - H ASP 31 lone 1 73 - 1 - Peak 9285 from nnoeabs.peaks (5.01, 8.44, 120.43 ppm; 4.25 A): 0 out of 1 assignment used, low quality = 0.29: ! HA SER 58 - H VAL 32 OK 29 100 - 29 - 9584=15, 11680/3.9=9...(6) Peak 9305 from nnoeabs.peaks (2.17, 9.55, 122.70 ppm; 3.88 A): 2 out of 8 assignments used, quality = 0.73: HB3 GLU 37 + H ASN 33 OK 70 100 - 70 - 1.8/9306=26, 9352=19...(8) HB2 GLU 98 + H ASN 33 OK 11 99 - 11 - 9291/3.6=3, 9352=2...(4) HG3 GLU 66 - H ASN 33 lone 3 87 - 3 - 11067/4.4=2, 9318/4.6=1 HB3 GLN 62 - H ASN 33 lone 2 96 - 2 - HB2 GLN 62 - H ASN 33 lone 2 96 - 2 - HB2 GLN 85 - H ASN 33 lone 2 100 - 2 - HB2 MET 42 - H ASN 33 lone 1 73 - 1 - HB3 GLU 13 - H ASN 33 lone 0 77 - 1 - Peak 9306 from nnoeabs.peaks (2.28, 9.55, 122.70 ppm; 3.98 A): 1 out of 11 assignments used, quality = 0.53: HB2 GLU 37 + H ASN 33 OK 53 77 - 68 - 1.8/9305=30, 9292/3.6=17...(8) HG2 GLU 69 - H ASN 33 lone 5 90 - 6 - 9292/3.6=2, 9317/4.6=2 HG3 GLU 91 - H ASN 33 lone 3 100 - 3 - HB3 ASN 8 - H ASN 33 lone 2 90 - 2 - HG2 GLU 111 - H ASN 33 lone 2 100 - 2 - HG3 GLU 111 - H ASN 33 lone 2 77 - 2 - HG2 GLU 47 - H ASN 33 lone 2 90 - 2 - HG2 GLU 87 - H ASN 33 lone 1 90 - 1 - HG3 GLU 87 - H ASN 33 lone 1 90 - 1 - HB2 MET 121 - H ASN 33 lone 1 98 - 1 - HG3 GLU 92 - H ASN 33 lone 1 61 - 1 - Peak 9307 from nnoeabs.peaks (2.46, 9.55, 122.70 ppm; 4.84 A): 3 out of 5 assignments used, quality = 0.59: HB2 ASP 31 + H ASN 33 OK 31 99 - 31 - 180/4.7=14, 9266/5.4=10...(4) HB3 ASP 31 + H ASN 33 OK 30 99 - 31 - 180/4.7=14, 9266/5.4=10...(4) HG3 GLU 41 + H ASN 33 OK 16 99 - 16 - 9293/3.6=6, 9301/4.4=4...(5) HG3 GLU 119 - H ASN 33 lone 2 99 - 2 - HB2 TYR 102 - H ASN 33 lone 2 94 - 2 - Peak 9314 from nnoeabs.peaks (2.48, 7.94, 114.61 ppm; 4.24 A): 2 out of 4 assignments used, quality = 0.55: HB3 ASP 31 + HD21 ASN 33 OK 34 70 - 49 - 9315/1.7=19, ~9315=14...(6) HB2 ASP 31 + HD21 ASN 33 OK 32 65 - 49 - 9315/1.7=19, ~9315=14...(6) HB2 TYR 102 - HD21 ASN 33 lone 2 84 - 2 - HG3 GLU 47 - HD21 ASN 33 lone 0 77 - 1 - Peak 9315 from nnoeabs.peaks (2.48, 7.02, 114.61 ppm; 4.04 A): 2 out of 6 assignments used, quality = 0.69: HB3 ASP 31 + HD22 ASN 33 OK 45 90 - 50 - 9314/1.7=17, 1.8/9266=13...(6) HB2 ASP 31 + HD22 ASN 33 OK 43 87 - 50 - 9314/1.7=16, 1.8/9266=13...(6) HB2 TYR 102 - HD22 ASN 33 lone 2 97 - 2 - HB3 ASP 31 - HD22 ASN 88 lone 0 38 - 1 - HB2 ASP 31 - HD22 ASN 88 lone 0 36 - 1 - HB2 TYR 102 - HD22 ASN 88 lone 0 44 - 1 - Peak 9316 from nnoeabs.peaks (2.44, 7.62, 114.89 ppm; 4.63 A): 3 out of 7 assignments used, quality = 0.87: HG2 GLU 37 + H ASP 34 OK 82 100 - 82 - 3.0/9318=34, 3.0/9317=29...(10) HG3 GLU 98 + H ASP 34 OK 19 99 - 19 - 3.0/9318=4, 9353/4.6=4...(7) HG3 GLU 69 + H ASP 34 OK 13 99 - 13 - 1.8/9317=4, 5021=3, 1230/9327=2 HG3 GLU 41 - H ASP 34 poor 7 65 - 11 - 9293/9322=3, 9298/9319=3...(4) HG2 GLN 100 - H ASP 34 lone 5 100 - 5 - 6269=2 HG2 MET 1 - H ASP 34 lone 1 87 - 2 - HG3 GLU 119 - H ASP 34 lone 1 65 - 1 - Peak 9317 from nnoeabs.peaks (2.28, 7.62, 114.89 ppm; 3.65 A): 1 out of 12 assignments used, quality = 0.72: HB2 GLU 37 + H ASP 34 OK 72 94 - 77 - 1.8/9318=32, 3.8/9327=19...(10) HG2 GLU 69 - H ASP 34 lone 9 99 - 9 - 1.8/9316=2, 5015=1, 9306/4.6=1 HG3 GLU 111 - H ASP 34 lone 5 94 - 5 - 5.2/9325=2 HG2 GLU 111 - H ASP 34 lone 4 94 - 5 - 5.2/9325=2 HG2 GLU 89 - H ASP 34 lone 3 77 - 4 - 5.2/9325=2 HG3 GLU 91 - H ASP 34 lone 2 94 - 2 - HB3 ASN 8 - H ASP 34 lone 2 99 - 2 - HG3 GLU 92 - H ASP 34 lone 2 84 - 2 - HG2 GLU 47 - H ASP 34 lone 1 70 - 2 - 3.9/9322=1 HB2 MET 121 - H ASP 34 lone 1 87 - 1 - HG2 GLU 87 - H ASP 34 lone 1 70 - 1 - HG3 GLU 87 - H ASP 34 lone 1 70 - 1 - Peak 9318 from nnoeabs.peaks (2.18, 7.62, 114.89 ppm; 3.20 A): 1 out of 8 assignments used, quality = 0.57: HB3 GLU 37 + H ASP 34 OK 57 98 - 58 - 1.8/9317=20, 3.8/9327=15...(9) HB2 GLU 98 - H ASP 34 lone 7 100 - 7 - 3.0/9316=2, 9305/4.6=1 HG3 GLU 66 - H ASP 34 lone 4 98 - 4 - HB3 GLN 62 - H ASP 34 lone 2 81 - 3 - 4.6/1906=1 HB2 GLN 62 - H ASP 34 lone 2 81 - 3 - 4.6/1906=1 HB2 GLN 85 - H ASP 34 lone 1 96 - 1 - HB2 MET 42 - H ASP 34 lone 1 92 - 1 - HB3 MET 1 - H ASP 34 lone 0 70 - 0 - Peak 9319 from nnoeabs.peaks (0.86, 7.62, 114.89 ppm; 3.37 A): 1 out of 9 assignments used, quality = 0.62: QG1 VAL 32 + H ASP 34 OK 62 98 - 64 - 3.2/9322=20, 4.4/187=18...(10) QD1 LEU 14 - H ASP 34 lone 8 100 - 8 - 10911/4.6=1, 10794/4.6=1 QG2 VAL 107 - H ASP 34 lone 5 97 - 5 - QG2 THR 9 - H ASP 34 lone 4 100 - 4 - QG2 ILE 15 - H ASP 34 lone 3 81 - 4 - QG2 VAL 117 - H ASP 34 lone 3 99 - 3 - HG13 ILE 57 - H ASP 34 lone 2 100 - 2 - QG2 VAL 22 - H ASP 34 lone 1 97 - 1 - HG13 ILE 5 - H ASP 34 lone 1 77 - 1 - Peak 9320 from nnoeabs.peaks (0.75, 7.62, 114.89 ppm; 3.36 A): 3 out of 11 assignments used, quality = 0.74: QD1 LEU 63 + H ASP 34 OK 48 98 - 49 - 9308/3.6=12...(14) QG2 VAL 32 + H ASP 34 OK 41 73 - 55 - 2.1/9319=23, 3.2/9322=20...(9) QD2 LEU 6 + H ASP 34 OK 15 87 - 17 - 11263/3.0=4, 11349/4.0=3...(6) QG2 ILE 7 - H ASP 34 lone 9 100 - 9 - 11583/9319=3, 9308/3.6=2 QD1 LEU 45 - H ASP 34 lone 5 97 - 5 - QD2 LEU 14 - H ASP 34 lone 4 73 - 5 - 2.1/9319=3 QG2 ILE 54 - H ASP 34 lone 4 100 - 3 - QG1 VAL 107 - H ASP 34 lone 3 73 - 3 - 2.1/9319=2 QD1 ILE 15 - H ASP 34 lone 3 70 - 4 - QD2 LEU 55 - H ASP 34 lone 2 90 - 3 - HG13 ILE 18 - H ASP 34 lone 2 65 - 3 - Peak 9321 from nnoeabs.peaks (4.08, 7.62, 114.89 ppm; 5.04 A): 1 out of 8 assignments used, quality = 0.62: HA GLU 37 + H ASP 34 OK 62 70 - 89 - 2.9/9327=41, 3.0/9318=36...(7) HA ASP 110 - H ASP 34 poor 7 61 - 12 - 3.6/9325=5, 3.0/190=4 HA LYS 96 - H ASP 34 lone 2 90 - 2 - HA GLU 91 - H ASP 34 lone 2 100 - 2 - HA LYS 20 - H ASP 34 lone 1 90 - 2 - HA LYS 43 - H ASP 34 lone 1 87 - 1 - HA LYS 44 - H ASP 34 lone 1 77 - 2 - HA3 GLY 125 - H ASP 34 lone 1 84 - 1 - Peak 9322 from nnoeabs.peaks (4.25, 7.62, 114.89 ppm; 3.62 A): 1 out of 6 assignments used, quality = 0.65: HA VAL 32 + H ASP 34 OK 65 97 - 67 - 3.6/187=28, 3.2/9319=20...(12) HA GLU 47 - H ASP 34 lone 4 99 - 4 - 11322/9327=1 HA GLU 41 - H ASP 34 lone 3 96 - 3 - HA ALA 46 - H ASP 34 lone 1 100 - 1 - HA ASP 12 - H ASP 34 lone 1 65 - 1 - HA GLU 52 - H ASP 34 lone 1 100 - 1 - Peak 9325 from nnoeabs.peaks (8.21, 7.62, 114.89 ppm; 4.46 A): 3 out of 5 assignments used, quality = 0.75: H LEU 38 + H ASP 34 OK 66 87 - 76 - 4.6/9327=24, 4.7/9318=22...(13) H GLU 111 + H ASP 34 OK 15 100 - 15 - 4.4/190=2, 3.6/9321=2...(6) H GLU 89 + H ASP 34 OK 15 98 - 15 - 10071/3.0=6, 557/4.0=2 H ASP 84 - H ASP 34 lone 6 92 - 7 - 9330/4.5=2, 9282/9319=1 H GLU 112 - H ASP 34 lone 3 61 - 5 - 3.0/8244=1 Peak 9327 from nnoeabs.peaks (9.01, 7.62, 114.89 ppm; 4.13 A): 1 out of 1 assignment used, quality = 0.88: H GLU 37 + H ASP 34 OK 88 100 - 88 - 11684/3.0=33, 9350=25...(13) Peak 9330 from nnoeabs.peaks (8.21, 8.87, 114.38 ppm; 6.19 A): 4 out of 4 assignments used, quality = 0.87: H LEU 38 + H SER 35 OK 78 97 - 80 - 4.6/2024=35, 8028/2.9=35...(7) H GLU 89 + H SER 35 OK 20 90 - 22 - 10071/3.6=7, 9325/4.5=6...(6) H GLU 111 + H SER 35 OK 16 100 - 16 - 9325/4.5=6, 2025/4.6=4...(4) H ASP 84 + H SER 35 OK 16 99 - 16 - 8028/2.9=6, 2025/4.6=5...(4) Peak 9334 from nnoeabs.peaks (0.72, 8.87, 114.38 ppm; 3.73 A): 5 out of 13 assignments used, quality = 0.71: QD1 LEU 63 + H SER 35 OK 30 73 - 41 - 9324/3.6=12, ~11048=8...(9) QD2 LEU 63 + H SER 35 OK 30 73 - 41 - 9338/2.9=11, 11262/3.6=8...(10) QD1 LEU 6 + H SER 35 OK 18 92 - 20 - 9338/2.9=5, 10797/4.0=3...(8) QD2 LEU 6 + H SER 35 OK 18 92 - 19 - 9324/3.6=5, 11349/4.5=3...(9) QG2 VAL 78 + H SER 35 OK 11 100 - 11 - 9341/4.6=3, 9338/2.9=2...(4) QG1 VAL 117 - H SER 35 lone 6 99 - 6 - 9338/2.9=2, 10797/4.0=1, ~9337=1 QD2 LEU 45 - H SER 35 lone 6 100 - 6 - 9324/3.6=1 QD2 LEU 81 - H SER 35 lone 5 61 - 8 - 2.1/7720=2, 2.1/7719=2 HG13 ILE 18 - H SER 35 lone 5 99 - 4 - QD1 ILE 57 - H SER 35 lone 4 65 - 6 - 9338/2.9=2, 10797/4.0=1...(4) QG2 ILE 18 - H SER 35 lone 4 97 - 4 - QD2 LEU 55 - H SER 35 lone 2 90 - 2 - QG2 ILE 7 - H SER 35 lone 2 61 - 3 - Peak 9339 from nnoeabs.peaks (2.16, 8.39, 124.69 ppm; 5.50 A): 1 out of 6 assignments used, quality = 0.52: HB3 GLU 37 + H ASP 36 OK 52 90 - 58 - 3.8/1881=46, 4.7/2025=20 HB2 GLU 98 - H ASP 36 lone 4 77 - 5 - 1229/4.5=3 HB2 GLN 85 - H ASP 36 lone 4 94 - 4 - HB3 GLN 62 - H ASP 36 lone 4 100 - 4 - HB2 GLN 62 - H ASP 36 lone 4 100 - 4 - HB3 GLU 13 - H ASP 36 lone 1 99 - 1 - Peak 9341 from nnoeabs.peaks (0.72, 8.39, 124.69 ppm; 5.75 A): 5 out of 11 assignments used, quality = 0.89: QG2 VAL 78 + H ASP 36 OK 55 99 - 56 - 9862/3.0=19, 9860/4.0=13...(11) QD2 LEU 63 + H ASP 36 OK 49 90 - 55 - 9338/3.6=20...(10) QD1 LEU 6 + H ASP 36 OK 34 99 - 35 - 11560=9, 9338/3.6=8...(9) QD2 LEU 6 + H ASP 36 OK 21 77 - 27 - 2.1/11560=7, 9334/4.6=5...(9) QG1 VAL 117 + H ASP 36 OK 11 100 - 11 - 9338/3.6=3, 10797/4.4=3 QD2 LEU 45 - H ASP 36 lone 9 99 - 9 - 9334/4.6=2, 9338/3.6=2 QD2 LEU 81 - H ASP 36 poor 8 81 - 10 - 9338/3.6=3, 10797/4.4=2...(4) QD1 ILE 57 - H ASP 36 lone 8 84 - 9 - 9338/3.6=3, 10797/4.4=3 QG2 ILE 18 - H ASP 36 lone 7 100 - 7 - 9338/3.6=2, 10797/4.4=2 HG13 ILE 18 - H ASP 36 lone 7 94 - 7 - 9334/4.6=1, 10797/4.4=1 QD2 LEU 55 - H ASP 36 lone 3 73 - 4 - Peak 9343 from nnoeabs.peaks (3.10, 8.39, 124.69 ppm; 4.77 A): 1 out of 1 assignment used, quality = 0.60: HB3 ASP 34 + H ASP 36 OK 60 87 - 69 - 4.5/197=28, 3.0/9344=25...(4) Peak 9344 from nnoeabs.peaks (4.70, 8.39, 124.69 ppm; 5.36 A): 1 out of 5 assignments used, quality = 0.79: HA ASP 34 + H ASP 36 OK 79 96 - 82 - 3.6/197=40, 3.0/9343=39...(5) HA ASP 86 - H ASP 36 lone 2 92 - 2 - HA ASN 59 - H ASP 36 lone 2 73 - 2 - HA ASN 11 - H ASP 36 lone 1 100 - 1 - HA LYS 53 - H ASP 36 lone 1 98 - 1 - Peak 9348 from nnoeabs.peaks (7.83, 8.39, 124.69 ppm; 6.20 A): 3 out of 5 assignments used, quality = 0.91: H LYS 39 + H ASP 36 OK 80 100 - 80 - 8033/3.6=27, 2035/3.0=26...(9) H ILE 97 + H ASP 36 OK 34 100 - 35 - 8035/3.0=11, 8033/3.6=8...(6) H VAL 78 + H ASP 36 OK 32 100 - 32 - 4.0/9341=9, 8035/3.0=7...(7) H TYR 27 - H ASP 36 lone 7 77 - 9 - 11346/3.6=3, 2028/4.5=2 HE21 GLN 62 - H ASP 36 lone 6 70 - 9 - 4.4/9339=2, 4.4/9339=2 Peak 9350 from nnoeabs.peaks (7.61, 9.01, 122.45 ppm; 4.51 A): 1 out of 10 assignments used, quality = 0.94: H ASP 34 + H GLU 37 OK 94 100 - 95 - 9327=50, 3.0/11684=38...(14) H LEU 64 - H GLU 37 OK 12 84 - 15 - 4.8/9360=6, 11315/4.6=4 H GLU 69 - H GLU 37 poor 10 81 - 12 - 5.1/1228=3, 5.1/1230=2...(6) H LEU 74 - H GLU 37 lone 8 99 - 8 - 9357/3.8=4, 9355/4.9=3 H GLN 100 - H GLU 37 lone 6 92 - 7 - 11178/2.9=2 H LYS 115 - H GLU 37 lone 5 99 - 5 - 9357/3.8=1 H LYS 16 - H GLU 37 lone 4 94 - 4 - 9357/3.8=1, 9355/4.9=1 HE21 GLN 85 - H GLU 37 lone 3 90 - 3 - HE ARG 105 - H GLU 37 lone 1 81 - 1 - HD21 ASN 50 - H GLU 37 lone 1 57 - 1 - Peak 9359 from nnoeabs.peaks (0.88, 9.01, 122.45 ppm; 5.27 A): 3 out of 7 assignments used, quality = 0.83: QD2 LEU 38 + H GLU 37 OK 68 98 - 69 - 4.4/205=38, 4.8/2028=14...(12) QG1 VAL 32 + H GLU 37 OK 40 73 - 54 - 9282/4.6=17...(8) QD2 LEU 90 + H GLU 37 OK 15 100 - 15 - 10976/4.6=7, 11099/3.6=2...(5) QG2 VAL 107 - H GLU 37 poor 8 77 - 11 - 11672/4.9=3, 10295/4.6=2 QG2 VAL 104 - H GLU 37 lone 7 100 - 7 - 1237/4.6=1 QG2 VAL 117 - H GLU 37 lone 3 65 - 4 - QG2 VAL 29 - H GLU 37 lone 2 84 - 2 - Peak 9360 from nnoeabs.peaks (0.74, 9.01, 122.45 ppm; 5.54 A): 4 out of 9 assignments used, quality = 0.78: QD1 LEU 63 + H GLU 37 OK 55 100 - 56 - 10986/4.6=14...(11) QD2 LEU 6 + H GLU 37 OK 25 97 - 26 - 10986/4.6=8...(8) QG2 VAL 78 + H GLU 37 OK 24 70 - 35 - 9862/3.6=10, 9860/4.3=7...(8) QG2 ILE 7 + H GLU 37 OK 14 100 - 15 - 10986/4.6=4, 9364/3.8=2...(5) QD1 LEU 45 - H GLU 37 poor 10 87 - 11 - 10986/4.6=2, 9364/3.8=2...(4) QG2 ILE 54 - H GLU 37 lone 8 99 - 8 - 10986/4.6=2, 9364/3.8=1 QD2 LEU 55 - H GLU 37 lone 6 98 - 6 - 10986/4.6=1 QD2 LEU 45 - H GLU 37 lone 5 70 - 7 - 9438/4.9=2, 10986/4.6=1 HG13 ILE 18 - H GLU 37 lone 4 84 - 5 - Peak 9391 from nnoeabs.peaks (2.44, 7.83, 118.40 ppm; 6.20 A): 6 out of 12 assignments used, quality = 0.94: HG3 GLU 98 + H ILE 97 OK 64 92 - 70 - 1657/4.7=32, 4.9/2177=17...(10) HG2 GLU 37 + H LYS 39 OK 43 98 - 44 - 4.9/2028=18, 209/4.5=15...(7) HG2 GLN 100 + H ILE 97 OK 35 89 - 40 - 10112/3.0=12, ~10894=7...(7) HG3 GLU 98 + H LYS 39 OK 32 100 - 32 - 5.1/621=10, 4.9/2177=7...(9) HG2 GLU 37 + H ILE 97 OK 20 88 - 23 - 4.9/2028=7, 1657/4.7=5...(6) HG2 MET 1 + H LYS 39 OK 18 97 - 19 - 10877/4.8=13, 209/4.5=2, ~8057=1 HG3 GLU 69 - H LYS 39 lone 8 100 - 8 - 209/4.5=3 HG3 GLU 69 - H ILE 97 lone 8 92 - 8 - 10112/3.0=2, ~11120=1 HG2 MET 1 - H ILE 97 lone 5 86 - 6 - 10877/217=1 HG2 GLN 100 - H LYS 39 lone 5 99 - 5 - 209/4.5=1 HG2 GLU 91 - H ILE 97 lone 2 51 - 5 - HG2 GLU 91 - H LYS 39 lone 2 61 - 4 - Peak 9392 from nnoeabs.peaks (0.88, 7.78, 119.27 ppm; 4.61 A): 4 out of 7 assignments used, quality = 0.80: QD2 LEU 38 + H LYS 40 OK 68 98 - 69 - 9380/3.6=28, 4.8/218=19...(10) QG1 VAL 32 + H LYS 40 OK 18 73 - 24 - 9279/4.7=8, 9390/3.6=6...(5) QD2 LEU 90 + H LYS 40 OK 14 100 - 14 - 9390/3.6=3, 10976/2039=2...(4) QG2 VAL 104 + H LYS 40 OK 13 100 - 13 - 9390/3.6=3, 11510/2173=2...(5) QG2 VAL 29 - H LYS 40 lone 4 84 - 5 - 9390/3.6=1 QG2 VAL 107 - H LYS 40 lone 3 77 - 4 - QG2 VAL 117 - H LYS 40 lone 1 65 - 2 - Peak 9394 from nnoeabs.peaks (0.75, 8.72, 119.65 ppm; 4.59 A): 5 out of 11 assignments used, quality = 0.69: QD1 LEU 45 + H GLU 41 OK 28 97 - 29 - 9414/4.6=8, 9398/3.0=7...(8) QD1 LEU 63 + H GLU 41 OK 21 98 - 21 - 9401/4.9=5, 9399/4.9=2...(8) QG2 VAL 32 + H GLU 41 OK 20 73 - 27 - 9399/4.9=13, 9398/3.0=6...(5) QG2 ILE 54 + H GLU 41 OK 19 100 - 19 - 9401/4.9=4, 9398/3.0=3...(6) QG2 ILE 7 + H GLU 41 OK 16 100 - 16 - 9401/4.9=4, 9399/4.9=3...(6) QD1 ILE 15 - H GLU 41 poor 8 70 - 12 - 9398/3.0=3, ~10912=2...(4) QD2 LEU 55 - H GLU 41 lone 8 90 - 9 - 9401/4.9=2, 9527/4.6=1...(4) QD2 LEU 6 - H GLU 41 lone 5 87 - 6 - 9401/4.9=1, 10743/8049=1 QD2 LEU 14 - H GLU 41 lone 3 73 - 4 - 9414/4.6=1, 9398/3.0=1 HG13 ILE 18 - H GLU 41 lone 3 65 - 5 - 4.6/1886=3 QG1 VAL 107 - H GLU 41 lone 3 73 - 3 - Peak 9411 from nnoeabs.peaks (1.50, 8.78, 118.11 ppm; 5.00 A): 3 out of 11 assignments used, quality = 0.81: HB3 LEU 45 + H MET 42 OK 70 92 - 77 - 8080/3.0=24, ~8079=19...(10) HG2 LYS 43 + H MET 42 OK 25 70 - 36 - 4.9/1887=32, ~8078=2, 9420/5.0=2 HB3 LEU 14 + H MET 42 OK 14 100 - 13 - 3.0/7981=3, 8080/3.0=3...(5) HG2 LYS 20 - H MET 42 lone 8 92 - 8 - 1276/4.7=3, 4.9/2002=2, ~8080=1 QB ALA 124 - H MET 42 lone 5 96 - 5 - HB2 LEU 6 - H MET 42 lone 3 87 - 3 - HG3 ARG 118 - H MET 42 lone 2 84 - 3 - HG3 LYS 73 - H MET 42 lone 2 65 - 3 - 8080/3.0=2 HG2 ARG 30 - H MET 42 lone 2 100 - 2 - HB3 ARG 30 - H MET 42 lone 1 65 - 2 - HD2 LYS 53 - H MET 42 lone 1 73 - 1 - Peak 9412 from nnoeabs.peaks (0.96, 8.78, 118.11 ppm; 4.89 A): 2 out of 5 assignments used, quality = 0.68: QD1 LEU 38 + H MET 42 OK 64 100 - 64 - 10993/5.0=19...(7) HG13 ILE 56 + H MET 42 OK 12 100 - 12 - 11531/5.0=4, 10949/6.1=3...(4) QD1 ILE 3 - H MET 42 lone 7 92 - 7 - 11532/6.1=2, 3.0/9029=2 HD3 LYS 2 - H MET 42 lone 4 100 - 4 - 3.0/1270=2 HG13 ILE 116 - H MET 42 lone 1 90 - 1 - Peak 9413 from nnoeabs.peaks (0.91, 8.78, 118.11 ppm; 4.77 A): 2 out of 7 assignments used, quality = 0.75: QD1 LEU 70 + H MET 42 OK 58 99 - 59 - 11368/5.0=26...(7) QD2 LEU 70 + H MET 42 OK 41 97 - 42 - 11367/5.0=18...(7) QD1 LEU 90 - H MET 42 lone 9 97 - 10 - 11570/5.0=3, ~9415=2, 9423/5.0=1 HG13 ILE 54 - H MET 42 lone 7 100 - 7 - 3.2/9414=3 QG2 VAL 29 - H MET 42 lone 5 81 - 6 - 3334=2, 2.1/3329=1 QG1 VAL 104 - H MET 42 lone 3 61 - 5 - ~9415=1, 2.1/3334=1, 4.2/238=1 HG13 ILE 97 - H MET 42 lone 1 77 - 1 - Peak 9414 from nnoeabs.peaks (0.75, 8.78, 118.11 ppm; 5.00 A): 3 out of 11 assignments used, quality = 0.93: QD1 LEU 45 + H MET 42 OK 88 100 - 89 - 9435/3.0=32, 3.1/9411=17...(19) QG2 ILE 54 + H MET 42 OK 26 98 - 26 - 9394/4.6=4, 9398/3.6=4...(10) QG2 VAL 32 + H MET 42 OK 24 90 - 27 - 9398/3.6=6, 9289/8054=5...(9) QD1 LEU 63 - H MET 42 OK 22 90 - 25 - 9394/4.6=4, 9416/3.0=3...(10) QD2 LEU 14 - H MET 42 OK 15 90 - 17 - 3.1/9411=3, 4.0/7981=3...(7) QG2 ILE 7 - H MET 42 OK 15 96 - 16 - 9394/4.6=3, 9398/3.6=3...(7) QD2 LEU 55 - H MET 42 poor 9 73 - 13 - 4.6/9529=2, 9527=2...(5) QD1 ILE 15 - H MET 42 poor 9 87 - 10 - 9398/3.6=4, 4.2/7983=2 QG1 VAL 107 - H MET 42 lone 6 90 - 7 - ~9415=1, 9431/6.1=1 QD2 LEU 6 - H MET 42 lone 5 70 - 7 - 9394/4.6=1 QD1 ILE 7 - H MET 42 lone 4 77 - 5 - 9398/3.6=2 Peak 9462 from nnoeabs.peaks (1.90, 7.71, 115.49 ppm; 4.51 A): 7 out of 20 assignments used, quality = 0.89: HB2 LEU 45 + H GLU 47 OK 46 100 - 46 - 4.3/278=22, 4.0/2073=15...(4) HB3 LYS 44 + H GLU 47 OK 40 100 - 40 - 4.7/2073=14, 3.0/2074=11...(11) HB2 LYS 44 + H GLU 47 OK 39 97 - 40 - 4.7/2073=14, 3.0/2074=11...(11) HB ILE 71 + H GLU 47 OK 17 96 - 18 - 2.1/9795=6, 3.9/434=3...(6) HB2 ARG 95 + H GLU 47 OK 15 97 - 15 - 3.9/2073=6, 3.0/2072=4...(4) HB2 LYS 43 + H GLU 47 OK 12 100 - 12 - 8072/3.6=4, 273/4.6=3 HB3 LYS 43 + H GLU 47 OK 11 100 - 11 - 273/4.6=3, 8074/3.6=3 HB2 LYS 73 - H GLU 47 lone 9 94 - 10 - 2.9/5163=2, 2.9/5153=1 HB3 LYS 73 - H GLU 47 lone 9 92 - 10 - 2.9/5163=2, 2.9/5153=1 HB2 LYS 96 - H GLU 47 lone 7 100 - 7 - 3.0/2074=2 HB3 LYS 20 - H GLU 47 lone 2 81 - 3 - HB2 LYS 20 - H GLU 47 lone 2 81 - 3 - HB3 LYS 123 - H GLU 47 lone 2 92 - 2 - HB2 GLU 128 - H GLU 47 lone 2 100 - 2 - HB ILE 15 - H GLU 47 lone 2 90 - 2 - HG2 MET 121 - H GLU 47 lone 1 84 - 1 - HB ILE 7 - H GLU 47 lone 1 87 - 1 - HB2 LYS 49 - H GLU 47 lone 1 99 - 1 - HB2 LEU 81 - H GLU 47 lone 1 77 - 1 - HB3 LYS 17 - H GLU 47 lone 1 65 - 1 - Peak 9464 from nnoeabs.peaks (1.79, 7.96, 119.96 ppm; 5.07 A): 2 out of 10 assignments used, quality = 0.55: HB ILE 3 + H LYS 53 OK 47 90 - 53 - 9001/2.9=19, 9003/4.6=16...(5) HG12 ILE 5 + H LYS 53 OK 14 87 - 16 - 2.1/10800=6, 11243/4.7=4...(5) HG2 ARG 105 - H LYS 53 lone 4 92 - 5 - 10802/4.6=2, 11243/4.7=2 HB3 GLN 28 - H LYS 53 lone 4 87 - 4 - 11481/10800=2 HB ILE 97 - H LYS 53 lone 3 84 - 3 - HB2 LEU 64 - H LYS 53 lone 2 98 - 2 - HB2 LYS 19 - H LYS 53 lone 2 97 - 2 - HB2 ARG 118 - H LYS 53 lone 2 99 - 2 - HB2 LEU 90 - H LYS 53 lone 1 61 - 1 - HB VAL 32 - H LYS 53 lone 1 61 - 1 - Peak 9480 from nnoeabs.peaks (6.80, 8.80, 124.73 ppm; 5.05 A): 2 out of 2 assignments used, quality = 0.53: QD TYR 27 + H ILE 54 OK 47 70 - 68 - 2.2/9481=26, 9508/4.4=18...(10) QD PHE 120 + H ILE 54 OK 10 77 - 13 - 9508/4.4=7, 4709/4.8=1 Peak 9481 from nnoeabs.peaks (6.60, 8.80, 124.73 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.74: QE TYR 27 + H ILE 54 OK 74 90 - 82 - 2.2/9480=40, 4719/4.4=31...(11) Peak 9485 from nnoeabs.peaks (5.46, 8.80, 124.73 ppm; 4.32 A): 1 out of 1 assignment used, quality = 0.78: * HA LEU 4 + H ILE 54 OK 78 100 - 78 - 10681=37, 9486/3.9=22...(12) Peak 9506 from nnoeabs.peaks (5.06, 9.10, 130.09 ppm; 4.29 A): 2 out of 2 assignments used, quality = 0.82: HA ILE 56 + H LEU 55 OK 75 100 - 75 - 3.0/1898=30, ~332=18...(9) HA VAL 29 + H LEU 55 OK 28 70 - 40 - 3.2/11140=14, 9516/3.9=7...(7) Peak 9508 from nnoeabs.peaks (6.80, 9.10, 130.09 ppm; 4.92 A): 2 out of 2 assignments used, quality = 0.81: QD TYR 27 + H LEU 55 OK 73 92 - 79 - 4583/3.9=29, 4.5/9230=27...(9) QD PHE 120 + H LEU 55 OK 30 96 - 31 - 9515/3.9=7, 9523/4.7=7...(7) Peak 9524 from nnoeabs.peaks (8.35, 9.10, 130.09 ppm; 4.86 A): 1 out of 3 assignments used, quality = 0.77: H GLN 28 + H LEU 55 OK 77 96 - 80 - 9230=46, 9232/3.6=28...(8) H PHE 51 - H LEU 55 lone 4 99 - 4 - 9494/4.4=3 H ASN 11 - H LEU 55 lone 1 57 - 2 - 9494/4.4=1 Peak 9529 from nnoeabs.peaks (8.78, 9.18, 125.98 ppm; 5.01 A): 3 out of 5 assignments used, quality = 0.69: H ILE 5 + H ILE 56 OK 48 92 - 52 - 9057/3.6=29, 14/4.6=9...(10) H VAL 29 + H ILE 56 OK 27 100 - 27 - 9525/3.6=9, 9527/4.6=8...(4) H ILE 18 + H ILE 56 OK 18 92 - 20 - 1867/4.6=5, 9527/4.6=5...(7) H MET 42 - H ILE 56 lone 9 99 - 9 - 9412/4.6=4, 9527/4.6=2 H ASN 59 - H ILE 56 lone 3 61 - 5 - Peak 9530 from nnoeabs.peaks (8.93, 9.18, 125.98 ppm; 4.64 A): 1 out of 1 assignment used, quality = 0.71: H ILE 7 + H ILE 56 OK 71 100 - 71 - 3.6/9535=33, 9086=32...(7) Peak 9535 from nnoeabs.peaks (5.34, 9.18, 125.98 ppm; 4.04 A): 1 out of 1 assignment used, quality = 0.59: * HA LEU 6 + H ILE 56 OK 59 92 - 64 - 9072=31, 3.6/9530=22...(5) Peak 9570 from nnoeabs.peaks (5.21, 8.54, 127.24 ppm; 3.59 A): 1 out of 2 assignments used, quality = 0.59: HA ASP 31 + H ILE 57 OK 59 100 - 59 - 10683=26, 9569/4.0=17...(6) HA VAL 104 - H ILE 57 lone 2 70 - 2 - Peak 9576 from nnoeabs.peaks (8.44, 8.54, 127.24 ppm; 4.46 A): 2 out of 5 assignments used, quality = 0.80: H VAL 32 + H ILE 57 OK 76 100 - 76 - 11348=34, 3.6/9570=34...(8) H GLN 83 + H ILE 57 OK 18 98 - 19 - 518/3.0=4, 9577/4.0=3...(6) H ASN 10 - H ILE 57 lone 7 100 - 7 - 9578/4.0=2, 9577/4.0=2 H GLN 62 - H ILE 57 lone 5 94 - 6 - 9534/4.4=3 H ILE 3 - H ILE 57 lone 4 100 - 4 - Peak 9585 from nnoeabs.peaks (8.04, 8.81, 119.27 ppm; 4.74 A): 2 out of 9 assignments used, quality = 0.65: H THR 9 + H SER 58 OK 58 100 - 58 - 3.6/9589=33, 9127=27...(4) H LYS 65 + H SER 58 OK 16 99 - 17 - 9127=6, 7333/9589=4...(4) H VAL 22 - H SER 58 lone 6 99 - 6 - 9579/4.4=5 H GLN 122 - H SER 58 lone 6 87 - 7 - 9579/4.4=2, 2230=1, 775/4.4=1 H ARG 118 - H SER 58 lone 6 73 - 8 - 9579/4.4=3, 2213=1 H SER 72 - H SER 58 lone 6 61 - 9 - 4.5/9594=4, 2123/4.0=4 H ASP 109 - H SER 58 lone 2 98 - 2 - 9579/4.4=1 H LEU 90 - H SER 58 lone 2 99 - 2 - H HIS 131 - H SER 58 lone 1 70 - 1 - Peak 9586 from nnoeabs.peaks (8.91, 8.81, 119.27 ppm; 4.63 A): 0 out of 1 assignment used, low quality = 0.00: H LYS 61 - H SER 58 lone 7 98 - 8 - 4.6/356=7 Peak 9589 from nnoeabs.peaks (5.91, 8.81, 119.27 ppm; 4.22 A): 1 out of 1 assignment used, quality = 0.48: HA ASN 8 + H SER 58 OK 48 99 - 49 - 9091=23, 3.6/9127=15...(5) Peak 9594 from nnoeabs.peaks (1.90, 8.81, 119.27 ppm; 4.43 A): 0 out of 20 assignments used, low quality = 0.22: HB ILE 7 - H SER 58 OK 22 87 - 26 - 9080/3.6=9, 2.1/9088=7...(5) HB ILE 71 - H SER 58 lone 9 96 - 9 - 8147/4.0=8, 4.5/9585=1 HB2 LEU 81 - H SER 58 poor 8 77 - 11 - 3.1/351=5, 9556/7586=2...(4) HB ILE 15 - H SER 58 lone 4 90 - 5 - 2.1/348=2, 9556/7586=1 HG2 MET 121 - H SER 58 lone 4 84 - 4 - 9556/7586=1 HB2 LYS 49 - H SER 58 lone 1 99 - 2 - HB3 LYS 17 - H SER 58 lone 1 65 - 2 - HB2 LEU 45 - H SER 58 lone 1 100 - 1 - HB2 LYS 73 - H SER 58 lone 1 94 - 1 - HB3 LYS 73 - H SER 58 lone 1 92 - 1 - HB3 LYS 20 - H SER 58 lone 1 81 - 1 - HB2 LYS 20 - H SER 58 lone 1 81 - 1 - HB3 LYS 123 - H SER 58 lone 1 92 - 1 - HB3 LYS 44 - H SER 58 lone 1 100 - 1 - HB2 LYS 44 - H SER 58 lone 1 97 - 1 - HB2 LYS 43 - H SER 58 lone 1 100 - 1 - HB2 LYS 96 - H SER 58 lone 1 100 - 1 - HB3 LYS 43 - H SER 58 lone 1 100 - 1 - HB2 GLU 128 - H SER 58 lone 1 100 - 1 - HB2 ARG 95 - H SER 58 lone 1 97 - 1 - Peak 9609 from nnoeabs.peaks (2.72, 8.79, 122.38 ppm; 5.16 A): 0 out of 6 assignments used, low quality = 0.38: HB2 ASP 60 - H ASN 59 OK 38 90 - 43 - 4.0/1902=40, 9641/9613=3 HG3 GLU 37 - H ASN 59 lone 3 99 - 4 - 9685/9613=1 HB3 ASP 109 - H ASN 59 lone 2 99 - 2 - HE3 LYS 53 - H ASN 59 lone 2 97 - 2 - HB3 ASN 50 - H ASN 59 lone 1 70 - 2 - HB2 ASN 50 - H ASN 59 lone 1 65 - 2 - Peak 9612 from nnoeabs.peaks (0.83, 8.79, 122.38 ppm; 4.91 A): 2 out of 8 assignments used, quality = 0.61: QG2 ILE 57 + H ASN 59 OK 56 98 - 57 - 11686/4.5=22, 348/4.6=20...(8) QG2 ILE 15 + H ASN 59 OK 12 84 - 14 - 9619/5.4=5, 3.2/7983=3...(6) QG2 ILE 5 - H ASN 59 lone 6 97 - 6 - 9607/3.6=1 HG13 ILE 5 - H ASN 59 lone 5 87 - 6 - 9607/3.6=1 QD2 LEU 82 - H ASN 59 lone 5 94 - 5 - 9980/9091=2 QD2 LEU 74 - H ASN 59 lone 1 77 - 1 - QD1 LEU 74 - H ASN 59 lone 1 70 - 2 - QG2 ILE 71 - H ASN 59 lone 1 70 - 1 - Peak 9613 from nnoeabs.peaks (0.74, 8.79, 122.38 ppm; 4.59 A): 4 out of 10 assignments used, quality = 0.71: QD1 LEU 63 + H ASN 59 OK 50 100 - 50 - 9649/4.6=13, 11263/3.0=9...(9) QD2 LEU 6 + H ASN 59 OK 18 99 - 18 - 11558/9624=4, 9649/4.6=3...(6) QG2 ILE 54 + H ASN 59 OK 17 97 - 17 - 9488/3.0=7, ~9495=3...(5) QG2 ILE 7 + H ASN 59 OK 15 99 - 15 - 9088/4.6=6, 9088=4...(5) HG13 ILE 18 - H ASN 59 lone 9 92 - 10 - 1.8/2921=3, 2.9/2907=2 QD2 LEU 55 - H ASN 59 lone 8 100 - 8 - 2.1/11358=2, 9649/4.6=1 QD2 LEU 45 - H ASN 59 lone 4 81 - 5 - 9649/4.6=1, 9437/4.0=1 QD1 LEU 45 - H ASN 59 lone 4 77 - 5 - 9621/4.0=1 QG2 VAL 78 - H ASN 59 lone 2 81 - 3 - QG1 VAL 117 - H ASN 59 lone 1 65 - 2 - Peak 9617 from nnoeabs.peaks (0.78, 7.52, 109.57 ppm; 5.05 A): 0 out of 10 assignments used, low quality = 0.26: QD1 ILE 15 - HD21 ASN 59 OK 26 73 - 36 - 9176/1.7=17, 3.0/9620=10...(5) QD2 LEU 14 - HD21 ASN 59 poor 10 70 - 14 - 9618/1.7=5, 2.1/9620=4...(4) QD2 LEU 80 - HD21 ASN 59 lone 4 99 - 4 - 9618/1.7=1, ~9618=1 QD1 LEU 80 - HD21 ASN 59 lone 4 99 - 4 - 9618/1.7=1, ~9618=1 QG2 VAL 32 - HD21 ASN 59 lone 3 70 - 5 - 2.1/9620=2, 9618/1.7=1 QD1 ILE 7 - HD21 ASN 59 lone 2 84 - 3 - QG1 VAL 107 - HD21 ASN 59 lone 2 70 - 3 - QD1 LEU 82 - HD21 ASN 59 lone 2 100 - 2 - QD2 LEU 64 - HD21 ASN 59 lone 1 100 - 1 - QD1 LEU 81 - HD21 ASN 59 lone 1 94 - 1 - Peak 9618 from nnoeabs.peaks (0.77, 6.75, 109.57 ppm; 5.64 A): 2 out of 10 assignments used, quality = 0.67: QD1 ILE 15 + HD22 ASN 59 OK 58 99 - 59 - 9176=29, 9617/1.7=17...(6) QD2 LEU 14 + HD22 ASN 59 OK 20 98 - 21 - 9617/1.7=7, 2.1/9619=5...(5) QG2 VAL 32 - HD22 ASN 59 lone 6 98 - 6 - 9617/1.7=2, ~9620=2 QD1 LEU 80 - HD22 ASN 59 lone 6 98 - 6 - 9617/1.7=3, ~9617=2 QD2 LEU 80 - HD22 ASN 59 lone 6 97 - 6 - 9617/1.7=3, ~9617=2 QG1 VAL 107 - HD22 ASN 59 lone 4 98 - 4 - 9617/1.7=1 QD1 ILE 7 - HD22 ASN 59 lone 4 100 - 4 - 9617/1.7=1 QD1 LEU 45 - HD22 ASN 59 lone 3 77 - 4 - 9440/3.5=2 QD1 LEU 82 - HD22 ASN 59 lone 2 94 - 2 - 9617/1.7=1 QD2 LEU 64 - HD22 ASN 59 lone 2 81 - 2 - Peak 9619 from nnoeabs.peaks (0.84, 6.75, 109.57 ppm; 6.20 A): 4 out of 8 assignments used, quality = 0.72: QG2 ILE 15 + HD22 ASN 59 OK 52 100 - 52 - 3.0/9176=29, ~9617=17...(4) QG2 ILE 57 + HD22 ASN 59 OK 22 99 - 22 - 9612/5.4=16, 9620/1.7=2, ~9620=2 QD1 LEU 14 + HD22 ASN 59 OK 17 81 - 22 - 2.1/9618=8, ~9617=7...(4) QG2 VAL 22 + HD22 ASN 59 OK 11 94 - 12 - 3.2/10968=7, 9620/1.7=3 HG13 ILE 57 - HD22 ASN 59 lone 7 81 - 9 - 7585/5.4=3, 9620/1.7=3, ~9620=2 QG2 ILE 5 - HD22 ASN 59 lone 7 99 - 7 - 9612/5.4=2, 9620/1.7=1, ~9620=1 HG13 ILE 5 - HD22 ASN 59 lone 7 100 - 7 - 9612/5.4=2, 9620/1.7=1, ~9620=1 QG2 THR 9 - HD22 ASN 59 lone 6 65 - 10 - 9122/9623=3, 9620/1.7=3 Peak 9620 from nnoeabs.peaks (0.86, 7.52, 109.57 ppm; 5.83 A): 6 out of 11 assignments used, quality = 0.76: QG2 ILE 15 + HD21 ASN 59 OK 53 94 - 56 - ~9176=25, 3.0/9617=20...(4) QD1 LEU 14 + HD21 ASN 59 OK 19 100 - 19 - 2.1/9617=8, ~9618=6, 9619/1.7=4 QG2 VAL 22 + HD21 ASN 59 OK 11 100 - 11 - ~10968=8, 9619/1.7=3 QG2 THR 9 + HD21 ASN 59 OK 11 97 - 11 - 9122/9622=7, 9619/1.7=1 HG13 ILE 57 + HD21 ASN 59 OK 10 100 - 11 - ~9619=4, 7585/5.4=3, 9619/1.7=2 QG1 VAL 32 + HD21 ASN 59 OK 10 90 - 11 - 11485/9622=5, 2.1/9617=3 QG2 ILE 57 - HD21 ASN 59 poor 9 73 - 12 - 9619/1.7=5, 7583/5.4=5, ~9619=1 HG13 ILE 5 - HD21 ASN 59 lone 5 92 - 6 - 9619/1.7=2, ~9619=1 QG2 ILE 5 - HD21 ASN 59 lone 5 77 - 6 - 9619/1.7=2, ~9619=1 QG2 VAL 107 - HD21 ASN 59 lone 4 87 - 5 - 2.1/9617=2, ~9618=1 QG2 VAL 117 - HD21 ASN 59 lone 2 94 - 2 - Peak 9622 from nnoeabs.peaks (4.97, 7.52, 109.57 ppm; 4.73 A): 0 out of 2 assignments used, low quality = 0.32: HA ASN 10 - HD21 ASN 59 OK 20 98 - 21 - 9623/1.7=17, 9175/9617=3 HA ASN 33 - HD21 ASN 59 OK 14 99 - 14 - 9623/1.7=13 Peak 9623 from nnoeabs.peaks (4.98, 6.75, 109.57 ppm; 5.41 A): 0 out of 2 assignments used, low quality = 0.42: HA ASN 10 - HD22 ASN 59 OK 27 90 - 31 - 9622/1.7=26, 9175/9176=5 HA ASN 33 - HD22 ASN 59 OK 20 100 - 20 - 9622/1.7=19 Peak 9624 from nnoeabs.peaks (5.11, 8.79, 122.38 ppm; 4.01 A): 0 out of 1 assignment used, low quality = 0.41: HG SER 58 - H ASN 59 OK 41 70 - 60 - 4.0/353=29, 2.8/354=27...(4) Peak 9629 from nnoeabs.peaks (4.99, 7.86, 119.74 ppm; 4.16 A): 1 out of 2 assignments used, quality = 0.49: HA SER 58 + H ASP 60 OK 49 65 - 75 - 3.6/1902=32, 4.0/9630=26...(5) HA ASN 33 - H ASP 60 lone 4 87 - 4 - 11256/9649=4 Peak 9630 from nnoeabs.peaks (5.10, 7.86, 119.74 ppm; 3.86 A): 1 out of 1 assignment used, quality = 0.57: HG SER 58 + H ASP 60 OK 57 90 - 64 - 2.8/9632=23, 4.0/9629=19...(7) Peak 9632 from nnoeabs.peaks (3.78, 7.86, 119.74 ppm; 4.50 A): 1 out of 3 assignments used, quality = 0.88: HB2 SER 58 + H ASP 60 OK 88 100 - 88 - 2.8/9630=38, 3.0/9629=32...(9) HA LEU 68 - H ASP 60 lone 4 100 - 4 - 9728/9646=1 HA LYS 65 - H ASP 60 lone 2 73 - 2 - Peak 9633 from nnoeabs.peaks (3.42, 7.86, 119.74 ppm; 5.15 A): 1 out of 1 assignment used, quality = 0.93: HB3 SER 58 + H ASP 60 OK 93 100 - 93 - 2.8/9630=45, 1.8/9632=44...(9) Peak 9634 from nnoeabs.peaks (6.24, 7.86, 119.74 ppm; 5.43 A): 1 out of 1 assignment used, quality = 0.59: HD22 ASN 8 + H ASP 60 OK 59 84 - 70 - 1.7/10748=37...(4) Peak 9635 from nnoeabs.peaks (7.37, 7.86, 119.74 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.85: HD21 ASN 8 + H ASP 60 OK 85 100 - 85 - 1.7/9634=48, 10748=46...(4) H TYR 76 - H ASP 60 lone 2 100 - 2 - Peak 9646 from nnoeabs.peaks (1.88, 7.86, 119.74 ppm; 4.37 A): 2 out of 19 assignments used, quality = 0.63: HB2 LEU 63 + H ASP 60 OK 43 90 - 48 - 3.1/9649=17, 1.8/9648=11...(7) QE MET 67 + H ASP 60 OK 36 100 - 36 - 9735/9630=13...(6) HB ILE 7 - H ASP 60 lone 5 92 - 5 - 2.1/9649=2, 9089/4.6=2 HG LEU 45 - H ASP 60 lone 4 100 - 4 - 2.1/9649=2, 2.1/9649=1 HB ILE 71 - H ASP 60 lone 3 81 - 4 - 8147/9632=2 QE MET 42 - H ASP 60 lone 2 73 - 3 - HB2 LYS 16 - H ASP 60 lone 2 100 - 2 - HB3 LYS 16 - H ASP 60 lone 2 100 - 2 - HB3 ARG 118 - H ASP 60 lone 1 90 - 2 - HG2 ARG 95 - H ASP 60 lone 1 98 - 1 - HB3 LYS 73 - H ASP 60 lone 1 87 - 1 - HB2 LYS 73 - H ASP 60 lone 1 84 - 1 - HB3 LYS 20 - H ASP 60 lone 1 96 - 1 - HB2 LYS 20 - H ASP 60 lone 1 96 - 1 - HB2 ARG 95 - H ASP 60 lone 1 77 - 1 - HB2 GLU 128 - H ASP 60 lone 0 61 - 1 - HB2 LYS 49 - H ASP 60 lone 0 70 - 1 - HB2 LYS 96 - H ASP 60 lone 0 61 - 1 - HB3 LYS 43 - H ASP 60 lone 0 61 - 1 - Peak 9647 from nnoeabs.peaks (1.61, 7.86, 119.74 ppm; 6.20 A): 1 out of 14 assignments used, quality = 0.71: HG LEU 63 + H ASP 60 OK 71 92 - 77 - 9639/4.0=27, 2.1/9649=26...(7) HB3 LEU 127 - H ASP 60 lone 9 100 - 9 - 9639/4.0=4, 9643/4.0=3 HB3 LEU 64 - H ASP 60 poor 6 61 - 10 - 9603/9633=4, 9598/9632=2...(4) HD3 LYS 77 - H ASP 60 lone 5 84 - 6 - 9639/4.0=2, 9643/4.0=2 HD2 LYS 77 - H ASP 60 lone 5 81 - 6 - 9639/4.0=2, 9643/4.0=2 HB2 LEU 82 - H ASP 60 lone 5 90 - 5 - 9643/4.0=1, 9639/4.0=1 HG2 LYS 16 - H ASP 60 lone 4 70 - 6 - 9643/4.0=1, 9639/4.0=1 HG3 LYS 40 - H ASP 60 lone 3 92 - 3 - HG2 LYS 73 - H ASP 60 lone 3 84 - 3 - HB ILE 116 - H ASP 60 lone 2 57 - 4 - HG LEU 82 - H ASP 60 lone 2 87 - 2 - HG3 LYS 19 - H ASP 60 lone 2 81 - 2 - HD2 LYS 19 - H ASP 60 lone 2 73 - 2 - HD3 LYS 19 - H ASP 60 lone 2 73 - 2 - Peak 9648 from nnoeabs.peaks (1.42, 7.86, 119.74 ppm; 6.20 A): 2 out of 10 assignments used, quality = 0.76: HB3 LEU 63 + H ASP 60 OK 73 98 - 74 - 9644/4.0=26, 3.1/9649=25...(6) HG12 ILE 56 + H ASP 60 OK 11 97 - 12 - 11706/9649=3, 9644/4.0=2...(4) HB3 LYS 61 - H ASP 60 lone 8 87 - 9 - 9640/4.0=5, 9644/4.0=2 HB3 GLN 83 - H ASP 60 lone 5 100 - 5 - 9640/4.0=1 HG3 LYS 17 - H ASP 60 lone 5 94 - 5 - 7378/4.6=1 QB ALA 113 - H ASP 60 lone 3 92 - 3 - 9640/4.0=1 HB2 LEU 4 - H ASP 60 lone 2 70 - 3 - HB3 LEU 4 - H ASP 60 lone 2 70 - 3 - HG3 LYS 106 - H ASP 60 lone 2 65 - 3 - HG3 LYS 44 - H ASP 60 lone 2 65 - 2 - Peak 9649 from nnoeabs.peaks (0.74, 7.86, 119.74 ppm; 4.08 A): 3 out of 11 assignments used, quality = 0.70: QD1 LEU 63 + H ASP 60 OK 61 99 - 62 - 9645/4.0=14, 9641/4.0=14...(12) QD2 LEU 6 + H ASP 60 OK 15 100 - 15 - 11558/9630=4, 9613/4.6=2...(5) QG2 ILE 54 + H ASP 60 OK 10 92 - 11 - 9488/3.6=5, 9613/4.6=2 QG2 ILE 7 - H ASP 60 lone 6 96 - 7 - 9613/4.6=2, 2.1/9646=1 QD2 LEU 45 - H ASP 60 lone 6 90 - 7 - 9438/4.0=2, 2.1/9646=1 QD2 LEU 55 - H ASP 60 lone 5 100 - 5 - 9613/4.6=1, ~9514=1 QG2 VAL 78 - H ASP 60 lone 4 90 - 4 - 9645/4.0=1, 9641/4.0=1 HG13 ILE 18 - H ASP 60 lone 3 97 - 4 - 9613/4.6=1 QD1 LEU 45 - H ASP 60 lone 3 65 - 5 - 2.1/9646=1 QG1 VAL 117 - H ASP 60 lone 1 77 - 2 - QG2 ILE 18 - H ASP 60 lone 1 65 - 2 - Peak 9654 from nnoeabs.peaks (6.25, 8.90, 125.82 ppm; 6.14 A): 1 out of 1 assignment used, quality = 0.68: HD22 ASN 8 + H LYS 61 OK 68 100 - 68 - 1.7/9655=40, 9657/3.0=27 Peak 9655 from nnoeabs.peaks (7.38, 8.90, 125.82 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.50: HD21 ASN 8 + H LYS 61 OK 50 73 - 68 - 1.7/9654=43, ~9657=29 H TYR 76 - H LYS 61 lone 2 65 - 3 - Peak 9662 from nnoeabs.peaks (4.84, 8.43, 118.92 ppm; 4.72 A): 0 out of 3 assignments used, low quality = 0.11: HA ILE 54 - H GLN 62 OK 11 99 - 12 - 3.2/9665=6, 4.1/371=5 HA ILE 5 - H GLN 62 lone 2 96 - 2 - 3.0/9664=1 HA ILE 3 - H GLN 62 lone 1 77 - 1 - Peak 9663 from nnoeabs.peaks (1.86, 8.43, 118.92 ppm; 5.30 A): 1 out of 12 assignments used, quality = 0.62: HB2 LEU 63 + H GLN 62 OK 62 90 - 69 - 4.0/1905=39, 4.6/2082=16...(6) QE MET 42 - H GLN 62 lone 10 98 - 10 - 9426/3.6=3, 9427/5.2=1 QE MET 67 - H GLN 62 poor 7 57 - 12 - 1410/4.6=4, 386/2082=2 HG LEU 127 - H GLN 62 lone 5 100 - 5 - 2.1/370=2 HB3 ARG 118 - H GLN 62 lone 4 90 - 4 - 5.1/1905=2 HB2 LYS 77 - H GLN 62 lone 2 70 - 3 - HB3 LYS 77 - H GLN 62 lone 2 61 - 3 - HD2 LYS 123 - H GLN 62 lone 2 70 - 3 - ~10935=1 HB2 ARG 105 - H GLN 62 lone 2 100 - 2 - HG LEU 70 - H GLN 62 lone 1 87 - 1 - HB2 LYS 16 - H GLN 62 lone 1 57 - 2 - HG2 ARG 95 - H GLN 62 lone 1 73 - 2 - Peak 9664 from nnoeabs.peaks (1.63, 8.43, 118.92 ppm; 4.38 A): 4 out of 14 assignments used, quality = 0.73: HG LEU 63 + H GLN 62 OK 43 87 - 50 - 5.1/1905=22, 3.0/9663=15...(7) HB3 LEU 64 + H GLN 62 OK 33 100 - 33 - 8100/3.6=16, 3.6/2082=13...(4) HG LEU 64 + H GLN 62 OK 18 92 - 20 - 8099/3.6=10, 5.2/2082=10 HD3 LYS 65 + H GLN 62 OK 13 61 - 21 - ~8104=5, ~8106=5...(5) HB2 LEU 82 - H GLN 62 lone 7 90 - 7 - 3.1/7726=2, 3.0/7725=1...(4) HB ILE 5 - H GLN 62 lone 4 81 - 5 - 3.0/9662=4 HD2 LYS 77 - H GLN 62 lone 3 96 - 3 - HD3 LYS 77 - H GLN 62 lone 3 94 - 3 - HB ILE 116 - H GLN 62 lone 3 100 - 3 - HB3 LEU 127 - H GLN 62 lone 3 61 - 4 - 3.0/9663=1 HG LEU 90 - H GLN 62 lone 2 97 - 2 - HG2 LYS 16 - H GLN 62 lone 1 99 - 1 - HG3 LYS 40 - H GLN 62 lone 1 87 - 1 - HG LEU 114 - H GLN 62 lone 1 61 - 1 - Peak 9665 from nnoeabs.peaks (0.75, 8.43, 118.92 ppm; 6.12 A): 3 out of 11 assignments used, quality = 0.90: QD1 LEU 63 + H GLN 62 OK 80 98 - 81 - 4.7/1905=41, 3.1/9663=26...(11) QG2 ILE 54 + H GLN 62 OK 46 100 - 47 - 3.2/9662=36, 3.2/371=10 QD2 LEU 6 + H GLN 62 OK 12 87 - 14 - 1414/4.6=5, 390/2082=2...(4) QD1 LEU 45 - H GLN 62 lone 8 97 - 8 - 1414/4.6=3 QG2 ILE 7 - H GLN 62 lone 6 100 - 6 - QD2 LEU 14 - H GLN 62 lone 5 73 - 6 - ~9168=1 QG2 VAL 32 - H GLN 62 lone 4 73 - 5 - 9280/2082=1 QD2 LEU 55 - H GLN 62 lone 4 90 - 4 - QG1 VAL 107 - H GLN 62 lone 3 73 - 4 - HG13 ILE 18 - H GLN 62 lone 3 65 - 4 - 1414/4.6=2 QD1 ILE 15 - H GLN 62 lone 2 70 - 3 - Peak 9671 from nnoeabs.peaks (0.88, 7.67, 120.07 ppm; 5.30 A): 6 out of 10 assignments used, quality = 0.91: QD2 LEU 38 + H LEU 63 OK 67 87 - 77 - 11260/4.0=23...(10) QG1 VAL 32 + H LEU 63 OK 32 92 - 35 - 10931/5.1=11, 9278/4.6=7...(7) QG2 VAL 117 + H LEU 63 OK 28 87 - 32 - 10522/4.0=4, 2.1/1413=4...(12) QG2 VAL 107 + H LEU 63 OK 19 94 - 21 - 11254/5.1=4, 11252/2.9=4...(6) QG2 THR 9 + H LEU 63 OK 16 81 - 20 - 10755/4.0=4, 9117/4.7=3...(7) QD2 LEU 90 + H LEU 63 OK 16 99 - 16 - 11252/2.9=4, 11260/4.0=3...(5) QG2 VAL 104 - H LEU 63 lone 7 97 - 8 - 11252/2.9=2, 11260/4.0=1 QD1 LEU 14 - H LEU 63 lone 3 65 - 5 - HG13 ILE 57 - H LEU 63 lone 2 65 - 4 - QG2 VAL 29 - H LEU 63 lone 2 61 - 3 - Peak 9672 from nnoeabs.peaks (2.57, 7.67, 120.07 ppm; 5.29 A): 2 out of 4 assignments used, quality = 0.91: HB3 ASP 60 + H LEU 63 OK 81 100 - 81 - 9628=31, 1.8/9627=28...(7) HG2 MET 67 + H LEU 63 OK 53 100 - 53 - 9675/4.0=12, 9677/4.0=12...(9) HB3 ASP 86 - H LEU 63 lone 5 100 - 5 - HE3 LYS 77 - H LEU 63 lone 4 92 - 5 - Peak 9673 from nnoeabs.peaks (2.72, 7.67, 120.07 ppm; 4.83 A): 5 out of 8 assignments used, quality = 0.78: HB2 ASP 60 + H LEU 63 OK 46 70 - 66 - 1.8/9628=22, 9627=14...(8) HG3 GLU 37 + H LEU 63 OK 28 92 - 31 - 9678/5.1=6, 9685/4.7=6...(8) HB3 ASN 50 + H LEU 63 OK 21 90 - 23 - ~11047=7, 9678/5.1=5...(6) HB2 ASN 50 + H LEU 63 OK 20 87 - 23 - ~11047=7, 11047/2.9=5...(6) HE3 LYS 53 + H LEU 63 OK 11 100 - 11 - 9678/5.1=3, 9674/4.0=2...(5) HB3 ASP 109 - H LEU 63 poor 10 90 - 11 - 9676/4.0=2, 9674/4.0=2...(6) HE2 LYS 19 - H LEU 63 lone 5 61 - 8 - ~11047=3, 11047/2.9=2 HE3 LYS 19 - H LEU 63 lone 5 61 - 8 - ~11047=3, 11047/2.9=2 Peak 9696 from nnoeabs.peaks (0.88, 7.80, 119.36 ppm; 4.44 A): 5 out of 7 assignments used, quality = 0.81: QD2 LEU 38 + H GLU 66 OK 56 98 - 58 - 11067/4.9=13...(12) QD2 LEU 90 + H GLU 66 OK 31 100 - 31 - 11573/2.9=5, 11067/4.9=5...(11) QG1 VAL 32 + H GLU 66 OK 15 73 - 20 - 2.1/9281=4, 11064/4.9=3...(8) QG2 VAL 107 + H GLU 66 OK 15 77 - 19 - 10307/3.6=4, 10297/4.6=4...(8) QG2 VAL 104 + H GLU 66 OK 11 100 - 11 - 11064/4.9=2, 11067/4.9=2 QG2 VAL 117 - H GLU 66 poor 9 65 - 14 - 7904/4.6=3, 4.3/1908=2...(4) QG2 VAL 29 - H GLU 66 lone 3 84 - 3 - Peak 9698 from nnoeabs.peaks (1.60, 8.39, 118.40 ppm; 5.02 A): 2 out of 12 assignments used, quality = 0.51: HG LEU 68 + H MET 67 OK 34 70 - 48 - 5.3/1910=29, 3.7/2095=10...(6) HG LEU 63 + H MET 67 OK 27 77 - 35 - 2.1/9701=13, 3.7/2098=9...(6) HB3 LEU 127 - H MET 67 lone 8 96 - 8 - 11271/4.0=2, ~8139=2...(4) HG2 LYS 73 - H MET 67 lone 6 96 - 6 - 11271/4.0=1, 1449/4.6=1 HG LEU 82 - H MET 67 lone 3 97 - 3 - 11271/4.0=1 HD2 LYS 19 - H MET 67 lone 1 90 - 2 - HD3 LYS 19 - H MET 67 lone 1 90 - 2 - HG3 LYS 19 - H MET 67 lone 1 94 - 1 - HD3 LYS 77 - H MET 67 lone 1 65 - 2 - HG3 LYS 40 - H MET 67 lone 1 77 - 2 - HD2 LYS 77 - H MET 67 lone 1 61 - 2 - HB2 LEU 82 - H MET 67 lone 1 73 - 2 - Peak 9699 from nnoeabs.peaks (0.96, 8.39, 118.40 ppm; 4.40 A): 3 out of 5 assignments used, quality = 0.83: QD1 LEU 38 + H MET 67 OK 73 100 - 73 - 10998=27, 10991/5.1=16...(13) HG13 ILE 56 + H MET 67 OK 25 97 - 26 - 9711/5.1=8, 9723/6.2=7...(4) QD1 ILE 3 + H MET 67 OK 16 99 - 16 - 10656/4.1=3, 9012/5.1=2...(5) HG13 ILE 116 - H MET 67 lone 4 99 - 4 - HD3 LYS 2 - H MET 67 lone 2 99 - 2 - Peak 9700 from nnoeabs.peaks (0.90, 8.39, 118.40 ppm; 4.08 A): 4 out of 8 assignments used, quality = 0.92: QD2 LEU 38 + H MET 67 OK 57 92 - 63 - 2.1/9699=19, 9386=13...(13) QD1 LEU 70 + H MET 67 OK 53 97 - 55 - 9769/2.9=18, 11365/4.0=8...(9) QD2 LEU 70 + H MET 67 OK 53 99 - 53 - 9770/2.9=12, ~9769=11...(9) QD2 LEU 90 + H MET 67 OK 11 70 - 15 - 11067/5.0=3, 11064/5.0=3...(6) HG13 ILE 54 - H MET 67 poor 9 87 - 10 - ~9703=5, 3.2/9701=2...(4) QG2 VAL 104 - H MET 67 lone 6 77 - 8 - 9702/2.9=1, 11064/5.0=1...(4) QD1 LEU 90 - H MET 67 lone 6 99 - 6 - 11493/3.6=2 QG2 VAL 29 - H MET 67 lone 2 100 - 2 - Peak 9701 from nnoeabs.peaks (0.74, 8.39, 118.40 ppm; 5.10 A): 3 out of 11 assignments used, quality = 0.84: QD1 LEU 63 + H MET 67 OK 60 99 - 61 - 2.1/9698=12, 4.0/2098=9...(15) QD2 LEU 6 + H MET 67 OK 50 100 - 50 - 2.1/11560=19...(10) QG2 ILE 54 + H MET 67 OK 17 94 - 18 - ~9703=7, 11708/9699=3...(6) QG2 VAL 78 - H MET 67 poor 9 87 - 11 - ~9703=2 QD2 LEU 45 - H MET 67 poor 9 87 - 10 - 2.1/1444=2, 4.0/2098=1 QG1 VAL 117 - H MET 67 lone 7 73 - 10 - 4.3/2089=2, 11068/5.0=1...(4) QD1 LEU 45 - H MET 67 lone 7 70 - 10 - 2.1/1444=2, 4.0/2098=1 QD2 LEU 55 - H MET 67 lone 6 100 - 6 - 9725/6.2=1 QG2 ILE 7 - H MET 67 lone 5 97 - 5 - HG13 ILE 18 - H MET 67 lone 4 96 - 4 - QG2 ILE 18 - H MET 67 lone 2 61 - 3 - Peak 9756 from nnoeabs.peaks (0.70, 8.47, 118.27 ppm; 4.36 A): 4 out of 8 assignments used, quality = 0.81: QD1 LEU 6 + H LEU 68 OK 56 90 - 62 - 11565/4.8=21...(9) QD2 LEU 63 + H LEU 68 OK 33 99 - 34 - 11547/3.0=8, 9766/4.8=5...(10) QD2 LEU 81 + H LEU 68 OK 25 100 - 25 - 9766/4.8=6, ~9759=5...(6) QG2 ILE 56 + H LEU 68 OK 13 92 - 15 - 10946/7641=4, 9709/4.6=4...(5) QG1 VAL 117 - H LEU 68 lone 5 70 - 8 - 2.1/9757=2, 2.1/417=1, ~9761=1 QD1 ILE 57 - H LEU 68 lone 4 100 - 4 - 2.1/9757=2 QG2 ILE 18 - H LEU 68 lone 1 81 - 2 - QD1 LEU 55 - H LEU 68 lone 1 57 - 2 - Peak 9757 from nnoeabs.peaks (0.86, 8.47, 118.27 ppm; 6.20 A): 6 out of 9 assignments used, quality = 0.64: QG1 VAL 32 + H LEU 68 OK 34 98 - 35 - 9705/4.6=6, ~9290=6...(9) QG2 VAL 117 + H LEU 68 OK 13 99 - 13 - 9705/4.6=2, ~9761=2...(5) HG13 ILE 57 + H LEU 68 OK 12 100 - 12 - 9563/4.6=3, 9705/4.6=3...(4) QG2 VAL 107 + H LEU 68 OK 12 97 - 12 - 10307/8124=4, 9705/4.6=2 QG2 THR 9 + H LEU 68 OK 10 100 - 10 - 10757/4.6=3, 10756/4.0=2 QD1 LEU 14 + H LEU 68 OK 10 100 - 10 - 9705/4.6=3, 9724/7641=2 QG2 VAL 22 - H LEU 68 lone 5 97 - 5 - 9705/4.6=2 HG13 ILE 5 - H LEU 68 lone 5 77 - 6 - 9563/4.6=2, 9724/7641=2 QG2 ILE 15 - H LEU 68 lone 4 81 - 5 - 9724/7641=1 Peak 9802 from nnoeabs.peaks (7.62, 8.02, 116.52 ppm; 5.03 A): 5 out of 11 assignments used, quality = 0.88: H LEU 74 + H SER 72 OK 57 96 - 60 - 4.6/448=29, 9790/3.6=20...(9) H GLU 69 + H SER 72 OK 54 92 - 59 - 2.9/2122=23, 3.6/2123=18...(8) H LYS 115 + H SER 72 OK 18 100 - 18 - 9790/3.6=2, 3.6/8259=2...(8) H LEU 64 + H SER 72 OK 14 94 - 15 - 2083/3.6=3, 1420/4.1=2...(4) H LYS 16 + H SER 72 OK 14 84 - 16 - 452/4.6=7, 9790/3.6=4 H ALA 46 - H SER 72 poor 6 57 - 11 - 4.6/1915=2, 2109/4.7=1...(5) H GLN 100 - H SER 72 lone 5 98 - 5 - H ASP 34 - H SER 72 lone 3 100 - 3 - HE21 GLN 85 - H SER 72 lone 2 97 - 2 - HE ARG 105 - H SER 72 lone 1 65 - 2 - HD21 ASN 50 - H SER 72 lone 1 73 - 1 - Peak 9814 from nnoeabs.peaks (0.83, 7.72, 120.73 ppm; 4.76 A): 4 out of 8 assignments used, quality = 0.76: QG2 ILE 71 + H LYS 73 OK 49 70 - 71 - 4.1/448=29, 3.2/2124=24...(9) QD2 LEU 74 + H LYS 73 OK 29 77 - 37 - 4.8/452=19, 3.1/1481=7...(7) QD1 LEU 74 + H LYS 73 OK 26 70 - 37 - 4.8/452=19, 3.1/1481=7...(8) QG2 ILE 15 + H LYS 73 OK 12 84 - 14 - 4.1/452=7, 78/4.6=3...(5) QD2 LEU 82 - H LYS 73 lone 3 94 - 3 - QG2 ILE 57 - H LYS 73 lone 2 98 - 2 - QG2 ILE 5 - H LYS 73 lone 1 97 - 1 - HG13 ILE 5 - H LYS 73 lone 1 87 - 1 - Peak 9827 from nnoeabs.peaks (7.61, 7.37, 118.45 ppm; 4.54 A): 4 out of 10 assignments used, quality = 0.81: H LEU 74 + H TYR 76 OK 67 99 - 68 - 4.6/469=27, 3.8/9832=24...(9) H LEU 64 + H TYR 76 OK 20 84 - 24 - 4.7/9833=9, 4.7/9833=8...(4) H LYS 16 + H TYR 76 OK 15 94 - 16 - 1917/4.6=6, 10774/4.4=4...(4) H LYS 115 + H TYR 76 OK 14 99 - 14 - 4.9/9833=6, 462/4.6=2 H GLU 69 - H TYR 76 lone 2 81 - 3 - H GLN 100 - H TYR 76 lone 1 92 - 1 - H ASP 34 - H TYR 76 lone 1 100 - 1 - HE21 GLN 85 - H TYR 76 lone 1 90 - 1 - HE ARG 105 - H TYR 76 lone 1 81 - 1 - HD21 ASN 50 - H TYR 76 lone 0 57 - 1 - Peak 9829 from nnoeabs.peaks (1.91, 7.37, 118.45 ppm; 5.44 A): 5 out of 21 assignments used, quality = 0.73: HB ILE 71 + H TYR 76 OK 40 84 - 48 - 2.1/9797=26, 3.2/9834=14...(4) HB2 LEU 45 + H TYR 76 OK 21 99 - 22 - 9441/6.4=10, 4609/4.4=7 HB2 LYS 73 + H TYR 76 OK 19 81 - 24 - 4.3/9827=19, 2.9/9831=3 HB3 LYS 73 + H TYR 76 OK 18 77 - 24 - 4.3/9827=19, 2.9/9831=3 HB ILE 15 + H TYR 76 OK 14 98 - 15 - 4.5/9827=4, 2.9/9834=3...(5) HB2 LYS 49 - H TYR 76 lone 7 92 - 8 - 3.9/9830=2, 3.9/9830=2...(4) HB2 LYS 115 - H TYR 76 lone 6 61 - 10 - 4.0/9827=4, 3.7/9830=2 HB2 LEU 81 - H TYR 76 lone 3 92 - 4 - 3.1/9833=2 HB ILE 7 - H TYR 76 lone 2 70 - 3 - 4609/4.4=1 HB2 LYS 43 - H TYR 76 lone 2 100 - 2 - HB3 LYS 43 - H TYR 76 lone 2 96 - 2 - HB3 LYS 44 - H TYR 76 lone 2 100 - 2 - HB2 ARG 95 - H TYR 76 lone 2 87 - 3 - HB2 LYS 44 - H TYR 76 lone 2 100 - 2 - HB3 LYS 17 - H TYR 76 lone 2 84 - 2 - HB3 LYS 20 - H TYR 76 lone 2 61 - 3 - HB2 LYS 20 - H TYR 76 lone 2 61 - 3 - HB3 LYS 123 - H TYR 76 lone 2 99 - 2 - HB2 LYS 96 - H TYR 76 lone 2 96 - 2 - HB2 GLU 128 - H TYR 76 lone 2 96 - 2 - HG2 MET 121 - H TYR 76 lone 2 96 - 2 - Peak 9830 from nnoeabs.peaks (1.66, 7.37, 118.45 ppm; 6.20 A): 0 out of 13 assignments used, low quality = 0.38: HG LEU 64 - H TYR 76 OK 26 70 - 37 - 2.1/9833=18, 2.1/9833=15...(4) HG LEU 114 - H TYR 76 OK 17 96 - 17 - 2.1/9833=13, 11466/3.6=1 HD3 LYS 115 - H TYR 76 lone 8 100 - 8 - 6.0/9827=3, 3.7/9829=2 HD2 LYS 115 - H TYR 76 lone 8 100 - 8 - 6.0/9827=3, 3.7/9829=2 HD2 LYS 65 - H TYR 76 lone 7 99 - 7 - 6.1/40=4 HD3 LYS 49 - H TYR 76 lone 6 98 - 7 - 3.9/9829=2, 3.0/9831=2 HD2 LYS 49 - H TYR 76 lone 6 98 - 7 - 3.9/9829=2, 3.0/9831=2 HD3 LYS 65 - H TYR 76 lone 6 96 - 7 - 6.1/40=4 HB2 ARG 30 - H TYR 76 lone 3 99 - 3 - HB2 GLU 52 - H TYR 76 lone 3 100 - 3 - HG3 ARG 95 - H TYR 76 lone 2 73 - 3 - HD2 LYS 43 - H TYR 76 lone 2 61 - 3 - HB ILE 5 - H TYR 76 lone 2 84 - 2 - Peak 9831 from nnoeabs.peaks (1.47, 7.37, 118.45 ppm; 5.05 A): 5 out of 16 assignments used, quality = 0.88: HB2 LEU 74 + H TYR 76 OK 76 100 - 76 - 1.8/9832=40, 4.6/469=33...(6) HG LEU 4 + H TYR 76 OK 21 65 - 32 - 2.1/9834=17, 9036/4.4=12...(4) HB3 LEU 45 + H TYR 76 OK 16 70 - 24 - 4611/4.4=13, 9443/6.4=6 HG12 ILE 57 + H TYR 76 OK 14 94 - 15 - ~9561=13 HG3 LYS 73 + H TYR 76 OK 12 94 - 13 - 2.9/9829=4, 2.9/9829=4...(4) HG2 LYS 49 - H TYR 76 lone 6 90 - 6 - 3.0/9830=2, 3.0/9830=2 HG3 LYS 49 - H TYR 76 lone 6 90 - 6 - 3.0/9830=2, 3.0/9830=2 HG3 LYS 20 - H TYR 76 lone 4 97 - 4 - HG12 ILE 7 - H TYR 76 lone 3 92 - 3 - HG3 ARG 30 - H TYR 76 lone 2 70 - 3 - HB3 LEU 38 - H TYR 76 lone 2 96 - 2 - HG2 LYS 106 - H TYR 76 lone 2 94 - 2 - HG2 LYS 39 - H TYR 76 lone 2 87 - 2 - HB3 LEU 6 - H TYR 76 lone 2 90 - 2 - HD2 LYS 53 - H TYR 76 lone 1 90 - 1 - HG3 ARG 118 - H TYR 76 lone 1 81 - 1 - Peak 9832 from nnoeabs.peaks (1.19, 7.37, 118.45 ppm; 5.04 A): 1 out of 2 assignments used, quality = 0.64: HB3 LEU 74 + H TYR 76 OK 64 99 - 65 - 4.6/469=33, 3.0/9822=21...(4) HD2 LYS 61 - H TYR 76 lone 1 61 - 2 - Peak 9833 from nnoeabs.peaks (0.80, 7.37, 118.45 ppm; 3.84 A): 0 out of 6 assignments used, low quality = 0.11: QD2 LEU 64 - H TYR 76 OK 11 84 - 13 - 2.1/11689=5, 2.1/9830=3...(4) QD1 LEU 64 - H TYR 76 poor 9 65 - 14 - 2.1/9830=3, 11689=3...(5) QD1 LEU 114 - H TYR 76 lone 8 94 - 8 - 2.1/9830=2, 4.9/9827=2 QD1 LEU 81 - H TYR 76 lone 1 97 - 2 - QG1 VAL 29 - H TYR 76 lone 1 99 - 1 - QD1 LEU 82 - H TYR 76 lone 0 65 - 1 - Peak 9834 from nnoeabs.peaks (0.65, 7.37, 118.45 ppm; 4.95 A): 3 out of 6 assignments used, quality = 0.85: QD1 LEU 4 + H TYR 76 OK 63 97 - 65 - 9037/4.4=31, 9045/4.0=24...(6) QD1 ILE 71 + H TYR 76 OK 54 99 - 54 - 3.3/9797=20, 4617/4.4=16...(6) HG13 ILE 15 + H TYR 76 OK 11 84 - 13 - 9842/4.0=3, 2.9/9829=3...(5) QD1 ILE 56 - H TYR 76 lone 8 87 - 9 - 4617/4.4=4, 9837/4.0=2 QG1 VAL 22 - H TYR 76 lone 5 90 - 6 - 10858/4.0=2, 9842/4.0=1 QD1 ILE 54 - H TYR 76 lone 2 81 - 3 - Peak 9846 from nnoeabs.peaks (9.09, 8.29, 122.87 ppm; 5.31 A): 0 out of 2 assignments used, low quality = 0.39: H LEU 4 - H LYS 77 OK 39 94 - 41 - 9034=23, 4.4/9856=22 H LEU 55 - H LYS 77 lone 1 84 - 1 - Peak 9856 from nnoeabs.peaks (1.07, 8.29, 122.87 ppm; 6.05 A): 0 out of 2 assignments used, low quality = 0.40: QG2 ILE 3 - H LYS 77 OK 40 92 - 44 - 4.4/9846=34, 11552/6.0=7 HG2 LYS 2 - H LYS 77 lone 2 100 - 2 - Peak 9870 from nnoeabs.peaks (6.97, 7.83, 124.07 ppm; 5.64 A): 2 out of 2 assignments used, quality = 0.73: QD TYR 102 + H VAL 78 OK 62 90 - 69 - 9872/3.7=29, 9880/4.0=26...(7) HZ PHE 79 + H VAL 78 OK 28 70 - 40 - 9880/4.0=12, 9872/3.7=11...(7) Peak 9891 from nnoeabs.peaks (9.08, 8.37, 126.17 ppm; 5.16 A): 2 out of 2 assignments used, quality = 0.85: H LEU 4 + H PHE 79 OK 81 100 - 81 - 9041/3.6=36, 9033=33...(11) H LEU 81 + H PHE 79 OK 22 73 - 29 - 9889/3.6=10, 9887/4.1=9...(4) Peak 9892 from nnoeabs.peaks (9.24, 8.37, 126.17 ppm; 4.62 A): 1 out of 1 assignment used, quality = 0.74: H LEU 6 + H PHE 79 OK 74 100 - 74 - 9070=38, 3.6/9894=17...(11) Peak 9894 from nnoeabs.peaks (4.83, 8.37, 126.17 ppm; 4.24 A): 3 out of 3 assignments used, quality = 0.78: * HA ILE 5 + H PHE 79 OK 60 100 - 60 - 3.6/9892=25, 3.2/9899=10...(10) HA ILE 3 + H PHE 79 OK 36 97 - 37 - 3.6/9891=17, 11377/4.1=9...(4) HA ILE 54 + H PHE 79 OK 13 84 - 16 - 9896/4.0=6, 9895/4.0=4...(5) Peak 9899 from nnoeabs.peaks (0.83, 8.37, 126.17 ppm; 4.54 A): 4 out of 9 assignments used, quality = 0.78: QG2 ILE 5 + H PHE 79 OK 54 84 - 64 - 4.4/9892=24, 3.2/9894=18...(9) HG13 ILE 5 + H PHE 79 OK 34 65 - 52 - 3.9/9894=16, 2.1/494=14...(8) QD2 LEU 82 + H PHE 79 OK 17 100 - 17 - 9986/4.7=7, 9982/6.5=3...(5) QD1 LEU 74 + H PHE 79 OK 12 90 - 13 - 9818/4.5=8, 9902/4.0=2 QD2 LEU 74 - H PHE 79 lone 8 94 - 9 - 9907/4.5=3, 9902/4.0=2 QG2 ILE 71 - H PHE 79 lone 8 90 - 9 - 9799/4.5=2, 9788/4.4=2...(4) QG2 ILE 15 - H PHE 79 poor 7 61 - 11 - 3.0/9171=2, 9050/4.5=2...(4) QD1 LEU 64 - H PHE 79 lone 6 81 - 7 - 9907/4.5=3, 9911/6.5=1 QG2 ILE 57 - H PHE 79 lone 4 87 - 5 - Peak 9900 from nnoeabs.peaks (1.45, 8.37, 126.17 ppm; 4.58 A): 6 out of 18 assignments used, quality = 0.92: HB3 LEU 4 + H PHE 79 OK 40 92 - 44 - 3.8/9891=19, 9042/3.6=11...(6) HB2 LEU 4 + H PHE 79 OK 40 92 - 44 - 3.8/9891=19, 9042/3.6=11...(6) HB3 LEU 6 + H PHE 79 OK 38 90 - 42 - 3.9/9892=27, 3.1/493=5...(7) HG LEU 80 + H PHE 79 OK 29 98 - 30 - ~10816=12, 1531/4.7=9...(6) HG LEU 4 + H PHE 79 OK 29 99 - 29 - 5.3/9891=14, 11378/4.1=5...(5) HG12 ILE 7 + H PHE 79 OK 25 87 - 28 - 11580/4.1=12...(8) HG2 LYS 96 - H PHE 79 lone 5 97 - 5 - 7798/4.6=2 HB3 LEU 38 - H PHE 79 lone 5 81 - 6 - 3.1/9386=2 HG2 LYS 39 - H PHE 79 lone 5 92 - 5 - 3588/4.6=2 HG12 ILE 57 - H PHE 79 lone 3 84 - 4 - HG3 ARG 30 - H PHE 79 lone 3 99 - 3 - HB2 LEU 74 - H PHE 79 lone 3 61 - 6 - 3.1/9899=2, 3.1/9899=2 HG3 LYS 44 - H PHE 79 lone 2 94 - 2 - HG2 LYS 106 - H PHE 79 lone 2 84 - 2 - HG2 LYS 49 - H PHE 79 lone 2 90 - 2 - HG3 LYS 49 - H PHE 79 lone 2 90 - 2 - HG3 LYS 17 - H PHE 79 lone 1 65 - 2 - HB3 LYS 61 - H PHE 79 lone 1 77 - 1 - Peak 9916 from nnoeabs.peaks (0.64, 8.60, 123.96 ppm; 6.20 A): 5 out of 6 assignments used, quality = 0.73: QD1 ILE 5 + H LEU 80 OK 44 81 - 54 - 11380/3.6=22...(5) QD1 ILE 54 + H LEU 80 OK 22 100 - 22 - 11380/3.6=9, 4649/4.6=5...(4) QD1 LEU 4 + H LEU 80 OK 18 99 - 18 - 11380/3.6=3, 3.1/1531=3...(7) QD1 ILE 71 + H LEU 80 OK 15 73 - 21 - 2.1/5097=3, 3.3/5083=3...(8) HG13 ILE 15 + H LEU 80 OK 12 100 - 12 - 11380/3.6=5, 4649/4.6=3 QG1 VAL 22 - H LEU 80 lone 6 100 - 6 - 11380/3.6=2, 4649/4.6=2 Peak 9926 from nnoeabs.peaks (5.23, 8.60, 123.96 ppm; 4.38 A): 1 out of 2 assignments used, quality = 0.75: * HA VAL 104 + H LEU 80 OK 75 100 - 75 - 10682=32, 10815/3.8=26...(6) HA ASP 31 - H LEU 80 lone 0 65 - 1 - Peak 9941 from nnoeabs.peaks (9.22, 9.06, 126.69 ppm; 4.82 A): 1 out of 1 assignment used, quality = 0.53: H LEU 6 + H LEU 81 OK 53 77 - 68 - 9071=29, 9939/3.6=29...(8) Peak 9942 from nnoeabs.peaks (7.15, 9.06, 126.69 ppm; 5.32 A): 2 out of 2 assignments used, quality = 0.84: QE PHE 120 + H LEU 81 OK 73 81 - 90 - 4738=40, 4739/3.0=32...(11) QE PHE 93 + H LEU 81 OK 40 77 - 52 - 9934/5.0=15...(7) Peak 9951 from nnoeabs.peaks (5.18, 9.06, 126.69 ppm; 3.89 A): 2 out of 2 assignments used, quality = 0.81: * HA ILE 7 + H LEU 81 OK 74 100 - 74 - 9085=22, 3.6/11384=21...(11) HA VAL 78 + H LEU 81 OK 28 77 - 37 - 11625/5.0=6, 9953/3.8=5...(12) Peak 9968 from nnoeabs.peaks (0.89, 8.86, 124.89 ppm; 4.04 A): 3 out of 8 assignments used, quality = 0.75: QD1 LEU 90 + H LEU 82 OK 42 94 - 45 - 10973/5.0=12...(7) QD2 LEU 90 + H LEU 82 OK 37 87 - 43 - 9967/4.0=9, 11100/2.9=8...(8) QG2 VAL 104 + H LEU 82 OK 31 92 - 34 - 4.2/10247=16, 9967/4.0=6...(6) QD2 LEU 38 - H LEU 82 lone 5 99 - 5 - 10988/4.9=1 QG2 VAL 29 - H LEU 82 lone 3 100 - 3 - QD2 LEU 70 - H LEU 82 lone 2 94 - 2 - QD1 LEU 70 - H LEU 82 lone 1 87 - 2 - HG13 ILE 54 - H LEU 82 lone 1 70 - 1 - Peak 9974 from nnoeabs.peaks (5.58, 8.86, 124.89 ppm; 3.80 A): 1 out of 1 assignment used, quality = 0.68: * HA LYS 106 + H LEU 82 OK 68 100 - 68 - 10293=31, 11401/4.9=16...(9) Peak 9984 from nnoeabs.peaks (8.56, 8.86, 124.89 ppm; 4.76 A): 2 out of 2 assignments used, quality = 0.68: H VAL 107 + H LEU 82 OK 62 100 - 63 - 3.6/9974=37...(7) H ILE 57 + H LEU 82 OK 15 73 - 20 - 11402/4.9=6, 4.9/516=3...(7) Peak 9985 from nnoeabs.peaks (8.69, 8.86, 124.89 ppm; 6.20 A): 0 out of 4 assignments used, low quality = 0.42: H ARG 105 - H LEU 82 OK 42 70 - 60 - 10685/3.6=28, 10247=23...(7) H ASP 86 - H LEU 82 lone 6 100 - 6 - 10046/9968=2, 10046/9968=1 H ASP 110 - H LEU 82 lone 4 96 - 5 - 10686/3.6=1 H GLU 98 - H LEU 82 lone 3 65 - 5 - 11510/9968=3 Peak 9989 from nnoeabs.peaks (8.63, 8.44, 122.15 ppm; 4.60 A): 1 out of 3 assignments used, quality = 0.60: H ASN 8 + H GLN 83 OK 60 99 - 61 - 4.0/10003=25...(6) H GLU 87 - H GLN 83 lone 4 87 - 5 - 10673/3.6=4 H GLN 85 - H GLN 83 lone 2 84 - 2 - Peak 9997 from nnoeabs.peaks (4.31, 8.44, 122.15 ppm; 4.54 A): 2 out of 4 assignments used, quality = 0.66: HB THR 9 + H GLN 83 OK 62 90 - 69 - 3.0/10691=28...(6) HA GLN 100 + H GLN 83 OK 12 100 - 12 - 9995/4.0=3, 9994/4.0=3...(5) HA LYS 49 - H GLN 83 lone 2 96 - 2 - HA LYS 73 - H GLN 83 lone 1 61 - 1 - Peak 10002 from nnoeabs.peaks (4.77, 7.20, 110.45 ppm; 4.08 A): 2 out of 6 assignments used, quality = 0.51: HA THR 108 + HE21 GLN 83 OK 30 77 - 39 - 10001/3.5=10...(8) HA THR 108 + HE22 GLN 83 OK 30 77 - 39 - 10001/3.5=10...(8) HA TYR 76 - HE21 GLN 83 lone 7 87 - 8 - 10001/3.5=3, 10000/3.5=2 HA TYR 76 - HE22 GLN 83 lone 7 87 - 8 - 10001/3.5=3, 10000/3.5=2 HA PHE 51 - HE21 GLN 83 lone 1 96 - 1 - HA PHE 51 - HE22 GLN 83 lone 1 95 - 1 - Peak 10003 from nnoeabs.peaks (2.89, 8.44, 122.15 ppm; 4.33 A): 1 out of 5 assignments used, quality = 0.53: HB2 ASN 8 + H GLN 83 OK 53 99 - 53 - 4.0/9989=21...(6) HE3 LYS 17 - H GLN 83 lone 5 81 - 6 - 3.8/1551=2, 9971/7726=2 HE3 LYS 2 - H GLN 83 lone 1 99 - 1 - HB3 ASN 88 - H GLN 83 lone 1 61 - 1 - HB3 ASN 59 - H GLN 83 lone 1 73 - 1 - Peak 10014 from nnoeabs.peaks (1.25, 7.20, 110.45 ppm; 5.31 A): 2 out of 12 assignments used, quality = 0.83: QG2 THR 108 + HE21 GLN 83 OK 58 99 - 59 - 10334=21, 10334/1.7=19...(7) QG2 THR 108 + HE22 GLN 83 OK 58 99 - 59 - 10334=21, 10334/1.7=19...(7) HG13 ILE 7 - HE22 GLN 83 lone 4 100 - 4 - HG13 ILE 7 - HE21 GLN 83 lone 4 100 - 4 - HD2 LYS 2 - HE21 GLN 83 lone 1 94 - 2 - HG12 ILE 54 - HE22 GLN 83 lone 1 100 - 1 - HD2 LYS 2 - HE22 GLN 83 lone 1 94 - 2 - HG12 ILE 54 - HE21 GLN 83 lone 1 100 - 1 - HG3 LYS 61 - HE21 GLN 83 lone 1 99 - 1 - HG3 LYS 61 - HE22 GLN 83 lone 1 99 - 1 - HD3 LYS 53 - HE21 GLN 83 lone 1 73 - 1 - HD3 LYS 53 - HE22 GLN 83 lone 1 73 - 1 - Peak 10015 from nnoeabs.peaks (0.87, 7.20, 110.45 ppm; 4.45 A): 4 out of 20 assignments used, quality = 0.97: QG2 VAL 107 + HE21 GLN 83 OK 63 99 - 64 - 10313/1.7=15, 10313=14...(12) QG2 VAL 107 + HE22 GLN 83 OK 63 99 - 64 - 10313/1.7=15, 10313=14...(12) QD1 LEU 14 + HE21 GLN 83 OK 52 84 - 62 - 2.1/11005=17, ~11005=15...(12) QD1 LEU 14 + HE22 GLN 83 OK 52 84 - 62 - 2.1/11005=18, ~11005=14...(12) QD2 LEU 90 - HE21 GLN 83 OK 41 92 - 45 - 2.1/11576=12, ~11576=11...(8) QD2 LEU 90 - HE22 GLN 83 OK 41 92 - 45 - 2.1/11576=12, ~11576=11...(8) QG2 THR 9 - HE21 GLN 83 OK 34 94 - 36 - 10755/4.4=12...(6) QG2 THR 9 - HE22 GLN 83 OK 34 94 - 36 - 10755/4.4=12...(6) QG1 VAL 32 - HE21 GLN 83 lone 10 99 - 10 - 10008/4.4=1, 2.1/10016=1...(4) QG1 VAL 32 - HE22 GLN 83 lone 10 99 - 10 - 10008/4.4=1, 2.1/10016=1...(4) QG2 VAL 117 - HE21 GLN 83 lone 7 97 - 7 - 10522/4.4=2, 10522/10409=1 QG2 VAL 117 - HE22 GLN 83 lone 7 97 - 7 - 10522/4.4=2, 10522/10409=1 QG2 VAL 104 - HE22 GLN 83 lone 3 87 - 3 - QG2 VAL 104 - HE21 GLN 83 lone 3 87 - 3 - QG2 VAL 22 - HE21 GLN 83 lone 3 65 - 4 - 10870/3.5=2 QG2 VAL 22 - HE22 GLN 83 lone 3 65 - 4 - 10870/3.5=2 HG13 ILE 57 - HE21 GLN 83 lone 2 84 - 3 - HG13 ILE 57 - HE22 GLN 83 lone 2 84 - 3 - QD2 LEU 38 - HE22 GLN 83 lone 2 69 - 3 - QD2 LEU 38 - HE21 GLN 83 lone 2 70 - 3 - Peak 10016 from nnoeabs.peaks (0.77, 7.20, 110.45 ppm; 3.97 A): 4 out of 20 assignments used, quality = 0.98: QD2 LEU 14 + HE21 GLN 83 OK 69 98 - 70 - 11007/3.5=19, 11005=18...(12) QD2 LEU 14 + HE22 GLN 83 OK 68 98 - 70 - 11007/3.5=19, 11005=19...(12) QG1 VAL 107 + HE21 GLN 83 OK 51 98 - 52 - 11020/3.5=10...(13) QG1 VAL 107 + HE22 GLN 83 OK 51 98 - 52 - 11020/3.5=10...(13) QG2 VAL 32 - HE21 GLN 83 lone 8 98 - 8 - 9302/3.5=2, 10009/4.4=1 QG2 VAL 32 - HE22 GLN 83 lone 8 98 - 8 - 9302/3.5=2, 10009/4.4=1 QD1 LEU 82 - HE21 GLN 83 lone 7 94 - 7 - 523/6.9=3, 11398/1.7=2, 11398=2 QD1 LEU 82 - HE22 GLN 83 lone 7 94 - 7 - 523/6.9=3, 11398/1.7=2, 11398=2 QD1 ILE 7 - HE21 GLN 83 lone 5 100 - 5 - QD1 ILE 7 - HE22 GLN 83 lone 5 100 - 5 - QD2 LEU 80 - HE22 GLN 83 lone 3 97 - 4 - 9938/1.7=1 QD2 LEU 80 - HE21 GLN 83 lone 3 97 - 4 - 9938/1.7=1 QD1 LEU 80 - HE21 GLN 83 lone 3 98 - 3 - QD1 LEU 80 - HE22 GLN 83 lone 3 98 - 3 - QD1 LEU 45 - HE21 GLN 83 lone 3 77 - 4 - QD1 LEU 45 - HE22 GLN 83 lone 3 77 - 4 - QD1 ILE 15 - HE21 GLN 83 lone 2 99 - 2 - QD1 ILE 15 - HE22 GLN 83 lone 2 99 - 2 - QD2 LEU 64 - HE21 GLN 83 lone 1 81 - 1 - QD2 LEU 64 - HE22 GLN 83 lone 1 80 - 1 - Peak 10019 from nnoeabs.peaks (1.24, 8.21, 124.45 ppm; 5.68 A): 2 out of 6 assignments used, quality = 0.77: QG2 THR 108 + H ASP 84 OK 74 97 - 77 - 3.2/10023=40...(10) HD2 LYS 2 + H ASP 84 OK 11 57 - 19 - ~11167=10, ~11166=9 HG13 ILE 7 - H ASP 84 lone 6 87 - 7 - 2.1/10021=3 HG12 ILE 54 - H ASP 84 lone 2 96 - 2 - HG3 LYS 61 - H ASP 84 lone 1 73 - 2 - HG13 ILE 3 - H ASP 84 lone 1 61 - 1 - Peak 10020 from nnoeabs.peaks (0.89, 8.21, 124.45 ppm; 3.69 A): 4 out of 7 assignments used, quality = 0.87: QD2 LEU 90 + H ASP 84 OK 61 98 - 62 - 10976=17, 11571/4.1=17...(9) QD1 LEU 90 + H ASP 84 OK 40 77 - 52 - 2.1/10976=16...(9) QD2 LEU 38 + H ASP 84 OK 26 100 - 26 - 10994/4.1=7, 10026/2.9=5...(7) QG2 VAL 104 + H ASP 84 OK 23 99 - 23 - 10243/2.9=6, 10029/4.6=4...(7) QG2 VAL 29 - H ASP 84 lone 2 96 - 2 - QD2 LEU 70 - H ASP 84 lone 1 77 - 1 - QD1 LEU 70 - H ASP 84 lone 1 65 - 1 - Peak 10021 from nnoeabs.peaks (0.77, 8.21, 124.45 ppm; 4.55 A): 3 out of 10 assignments used, quality = 0.82: QG1 VAL 107 + H ASP 84 OK 64 98 - 65 - 10310/3.6=18...(14) QD2 LEU 14 + H ASP 84 OK 36 98 - 37 - 11518/4.4=14...(8) QG2 VAL 32 + H ASP 84 OK 22 98 - 22 - 9283=7, 2.1/9282=6...(5) QD1 LEU 82 - H ASP 84 poor 10 94 - 11 - 523/4.5=9 QD1 ILE 7 - H ASP 84 lone 9 100 - 9 - 2.1/10019=2, 7332/4.6=1 QD1 LEU 80 - H ASP 84 lone 7 98 - 7 - 11092/10020=2...(3) QD2 LEU 80 - H ASP 84 lone 7 97 - 7 - 11091/10020=2, 523/4.5=1 QD2 LEU 64 - H ASP 84 lone 3 81 - 4 - 523/4.5=2, 2.1/10022=1 QD1 LEU 45 - H ASP 84 lone 3 77 - 4 - QD1 ILE 15 - H ASP 84 lone 3 99 - 3 - Peak 10022 from nnoeabs.peaks (1.66, 8.21, 124.45 ppm; 5.35 A): 0 out of 13 assignments used, low quality = 0.00: HD2 LYS 49 - H ASP 84 lone 8 98 - 8 - 11700/4.1=3, 11699/4.1=3 HD3 LYS 49 - H ASP 84 lone 8 98 - 8 - 11700/4.1=3, 11699/4.1=3 HD2 LYS 65 - H ASP 84 lone 4 99 - 4 - 11699/4.1=1, 11700/4.1=1 HD3 LYS 65 - H ASP 84 lone 4 96 - 4 - 11699/4.1=1, 11700/4.1=1 HB2 ARG 30 - H ASP 84 lone 3 99 - 3 - HD2 LYS 115 - H ASP 84 lone 3 100 - 3 - HG LEU 114 - H ASP 84 lone 3 96 - 3 - HD3 LYS 115 - H ASP 84 lone 3 100 - 3 - HB2 GLU 52 - H ASP 84 lone 3 100 - 3 - HG LEU 64 - H ASP 84 lone 2 70 - 3 - HB ILE 5 - H ASP 84 lone 2 84 - 2 - HG3 ARG 95 - H ASP 84 lone 1 73 - 2 - HD2 LYS 43 - H ASP 84 lone 1 61 - 2 - Peak 10023 from nnoeabs.peaks (4.78, 8.21, 124.45 ppm; 4.05 A): 1 out of 2 assignments used, quality = 0.50: * HA THR 108 + H ASP 84 OK 50 100 - 51 - 2.9/11403=16...(8) HA TYR 76 - H ASP 84 lone 7 100 - 7 - 11296/3.6=3, 10000/528=2 Peak 10029 from nnoeabs.peaks (0.88, 8.62, 120.20 ppm; 4.72 A): 4 out of 7 assignments used, quality = 0.90: QD2 LEU 90 + H GLN 85 OK 61 100 - 62 - 11571/4.6=25...(10) QG2 VAL 104 + H GLN 85 OK 47 100 - 47 - 11510/4.6=10...(12) QD2 LEU 38 + H GLN 85 OK 37 98 - 38 - 10994/4.6=11...(10) QG2 VAL 107 + H GLN 85 OK 20 77 - 26 - 10295/4.6=6, 10026/3.6=4...(8) QG1 VAL 32 - H GLN 85 lone 6 73 - 8 - 9282/4.6=2, 10026/3.6=1 QG2 VAL 29 - H GLN 85 lone 4 84 - 4 - QG2 VAL 117 - H GLN 85 lone 2 65 - 3 - Peak 10045 from nnoeabs.peaks (1.24, 8.69, 120.51 ppm; 5.73 A): 1 out of 6 assignments used, quality = 0.70: QG2 THR 108 + H ASP 86 OK 70 97 - 72 - 10030/3.6=35, 10338=26...(7) HG13 ILE 7 - H ASP 86 lone 5 87 - 6 - 10030/3.6=3, 11409/4.6=1 HG12 ILE 54 - H ASP 86 lone 4 96 - 4 - 1.8/10046=2, 10030/3.6=1 HG3 LYS 61 - H ASP 86 lone 2 73 - 2 - HG13 ILE 3 - H ASP 86 lone 2 61 - 3 - HD2 LYS 2 - H ASP 86 lone 1 57 - 2 - Peak 10046 from nnoeabs.peaks (0.90, 8.69, 120.51 ppm; 5.20 A): 4 out of 8 assignments used, quality = 0.56: QG2 VAL 104 + H ASP 86 OK 31 77 - 40 - 11510=10, 2.1/11511=8...(9) QD2 LEU 38 + H ASP 86 OK 16 92 - 17 - 11404/4.6=4, 10029/4.6=3...(5) QD2 LEU 90 + H ASP 86 OK 15 70 - 22 - 10029/4.6=5...(7) QD1 LEU 90 + H ASP 86 OK 10 99 - 10 - 11570/11298=6, 10024/11297=2 QG2 VAL 29 - H ASP 86 lone 4 100 - 4 - HG13 ILE 54 - H ASP 86 lone 3 87 - 3 - 1.8/10045=2 QD1 LEU 70 - H ASP 86 lone 2 97 - 2 - QD2 LEU 70 - H ASP 86 lone 2 99 - 2 - Peak 10050 from nnoeabs.peaks (0.88, 8.64, 123.60 ppm; 5.14 A): 3 out of 9 assignments used, quality = 0.90: QD2 LEU 90 + H GLU 87 OK 81 98 - 82 - 10056/4.0=24, ~8165=20...(11) QG2 VAL 104 + H GLU 87 OK 32 96 - 34 - 11510/4.7=11, 6384=6...(9) QD2 LEU 38 + H GLU 87 OK 22 84 - 26 - 10056/4.0=6, 10054/3.0=5...(9) QG1 VAL 32 - H GLU 87 lone 7 94 - 8 - 10056/4.0=2, ~8165=1 QG2 VAL 107 - H GLU 87 lone 7 96 - 8 - 10056/4.0=2, 10055/4.0=1 QG2 VAL 117 - H GLU 87 lone 3 90 - 3 - QG2 THR 9 - H GLU 87 lone 2 84 - 2 - HG13 ILE 57 - H GLU 87 lone 1 70 - 2 - QD1 LEU 14 - H GLU 87 lone 1 70 - 1 - Peak 10058 from nnoeabs.peaks (4.70, 8.53, 118.84 ppm; 3.97 A): 0 out of 5 assignments used, low quality = 0.30: HA ASP 86 - H ASN 88 OK 30 92 - 33 - 3.6/1930=24, 10071/4.6=10 HA ASP 34 - H ASN 88 lone 5 96 - 5 - 10071/4.6=3, 3.0/1581=2 HA ASN 11 - H ASN 88 lone 1 100 - 1 - HA LYS 53 - H ASN 88 lone 1 98 - 1 - HA ASN 59 - H ASN 88 lone 0 73 - 0 - Peak 10069 from nnoeabs.peaks (1.79, 8.22, 120.95 ppm; 6.15 A): 1 out of 7 assignments used, quality = 0.53: HB2 LEU 90 + H GLU 89 OK 53 92 - 57 - 4.0/560=33, 4.6/2138=23...(4) HB2 LEU 64 - H GLU 89 lone 8 100 - 8 - 4.2/1932=3, 1592/4.6=2 HB2 LYS 19 - H GLU 89 lone 5 100 - 5 - 4.0/554=2 HB VAL 32 - H GLU 89 lone 3 92 - 4 - 1592/4.6=1 HB3 GLN 28 - H GLU 89 lone 3 100 - 3 - HB2 ARG 118 - H GLU 89 lone 2 84 - 2 - HG2 ARG 105 - H GLU 89 lone 1 61 - 2 - Peak 10071 from nnoeabs.peaks (4.69, 8.22, 120.95 ppm; 4.76 A): 2 out of 5 assignments used, quality = 0.45: HA ASP 86 + H GLU 89 OK 39 100 - 39 - 10058/4.6=20...(3) HA ASP 34 + H GLU 89 OK 10 70 - 15 - 3.0/9325=5, 3.0/557=3...(4) HA LYS 53 - H GLU 89 lone 2 100 - 2 - HA ASN 11 - H GLU 89 lone 2 97 - 2 - HA TYR 102 - H GLU 89 lone 1 81 - 1 - Peak 10077 from nnoeabs.peaks (2.94, 7.94, 119.03 ppm; 5.34 A): 2 out of 8 assignments used, quality = 0.46: HE2 LYS 106 + H GLU 91 OK 27 90 - 31 - 11572/4.6=10...(7) HE3 LYS 106 + H GLU 91 OK 26 87 - 31 - 11572/4.6=10...(7) HE2 LYS 96 - H GLU 91 lone 6 90 - 7 - 11469/4.0=2 HE3 LYS 96 - H GLU 91 lone 6 90 - 7 - 11469/4.0=2 HE2 LYS 44 - H GLU 91 lone 4 90 - 5 - 11469/4.0=1 HE3 LYS 44 - H GLU 91 lone 4 90 - 5 - 11469/4.0=1 HB2 ASP 86 - H GLU 91 lone 4 81 - 5 - 10037/2138=2 HD3 ARG 30 - H GLU 91 lone 2 96 - 2 - Peak 10079 from nnoeabs.peaks (3.04, 8.09, 118.67 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.49: HB3 PHE 93 + H GLU 92 OK 49 94 - 52 - 1612/4.6=37, 4.3/2146=18 HB2 ASN 11 - H GLU 92 lone 2 65 - 3 - HB2 PHE 51 - H GLU 92 lone 2 65 - 3 - Peak 10096 from nnoeabs.peaks (1.65, 8.61, 118.94 ppm; 4.23 A): 3 out of 15 assignments used, quality = 0.49: HG LEU 90 + H LYS 94 OK 34 98 - 34 - 4.3/2155=12, 2.1/10099=8...(7) HG LEU 64 + H LYS 94 OK 14 100 - 14 - 4740/4.4=6, 2.1/10100=4 HD3 LYS 65 + H LYS 94 OK 10 98 - 11 - 4740/4.4=3, 3.4/10098=2...(4) HD2 LYS 65 - H LYS 94 poor 10 94 - 11 - 4740/4.4=3, 3.4/10098=2...(4) HB3 LEU 64 - H LYS 94 lone 5 73 - 7 - 3.1/10100=3, ~10102=1, ~8214=1 HD2 LYS 115 - H LYS 94 lone 3 90 - 3 - 4740/4.4=1 HG LEU 114 - H LYS 94 lone 3 98 - 3 - HB ILE 116 - H LYS 94 lone 3 77 - 4 - HD3 LYS 115 - H LYS 94 lone 3 81 - 3 - HD3 LYS 49 - H LYS 94 lone 3 96 - 3 - HD2 LYS 49 - H LYS 94 lone 3 96 - 3 - HB ILE 5 - H LYS 94 lone 2 100 - 2 - HG2 LYS 16 - H LYS 94 lone 1 65 - 2 - HB2 ARG 30 - H LYS 94 lone 1 94 - 1 - HB2 GLU 52 - H LYS 94 lone 1 90 - 1 - Peak 10097 from nnoeabs.peaks (1.87, 8.61, 118.94 ppm; 4.82 A): 3 out of 10 assignments used, quality = 0.50: HG2 ARG 95 + H LYS 94 OK 31 96 - 32 - 4.7/1937=28, 607/2156=3 QE MET 42 + H LYS 94 OK 19 100 - 19 - 9405=4, 9428/6.3=3...(6) HG LEU 45 + H LYS 94 OK 12 81 - 15 - 4011/4.5=9, 5.0/1937=3...(4) QE MET 67 - H LYS 94 lone 5 87 - 6 - 5.4/8143=2 HB2 ARG 105 - H LYS 94 lone 3 90 - 4 - ~8214=1 HG LEU 127 - H LYS 94 lone 3 92 - 3 - HB2 LEU 63 - H LYS 94 lone 3 100 - 3 - HB2 LYS 16 - H LYS 94 lone 2 87 - 3 - HB3 LYS 16 - H LYS 94 lone 2 84 - 2 - HB3 ARG 118 - H LYS 94 lone 2 100 - 2 - Peak 10098 from nnoeabs.peaks (1.94, 8.61, 118.94 ppm; 4.67 A): 5 out of 19 assignments used, quality = 0.68: HB VAL 104 + H LYS 94 OK 36 94 - 38 - ~10236=24, 2.1/10099=8...(5) HB2 LEU 70 + H LYS 94 OK 25 99 - 25 - 3.1/7657=8, 3.1/10099=6...(5) HB2 LYS 65 + H LYS 94 OK 13 100 - 14 - 3.4/10096=4, 3.4/10096=4...(4) HB3 LYS 65 + H LYS 94 OK 13 99 - 14 - 3.4/10096=4, 3.4/10096=4...(4) HB3 LYS 40 + H LYS 94 OK 11 96 - 12 - 4.0/2156=4, 2.7/1621=3...(4) HB2 LEU 81 - H LYS 94 poor 7 65 - 11 - 3.1/10100=3, 1.8/1621=3...(5) HB2 LYS 39 - H LYS 94 lone 7 100 - 7 - 4.3/2156=4 HB3 MET 42 - H LYS 94 lone 6 84 - 7 - 4.2/10097=6 HB3 LYS 39 - H LYS 94 lone 6 90 - 6 - 4.3/2156=4 HB VAL 29 - H LYS 94 lone 5 73 - 6 - 2.1/10099=3, ~10101=2 HB3 LYS 115 - H LYS 94 lone 4 100 - 4 - 3.7/10096=1 HB2 LYS 123 - H LYS 94 lone 4 100 - 4 - 3.7/1966=1 HB2 LYS 115 - H LYS 94 lone 4 94 - 4 - 3.7/10096=1 HB3 LYS 17 - H LYS 94 lone 3 77 - 3 - HB2 LEU 127 - H LYS 94 lone 2 99 - 2 - HB3 GLU 128 - H LYS 94 lone 2 70 - 2 - HB3 GLU 52 - H LYS 94 lone 1 77 - 1 - HB3 GLU 41 - H LYS 94 lone 1 87 - 1 - HB2 GLU 41 - H LYS 94 lone 1 84 - 1 - Peak 10099 from nnoeabs.peaks (0.90, 8.61, 118.94 ppm; 4.24 A): 7 out of 8 assignments used, quality = 0.94: QD1 LEU 90 + H LYS 94 OK 48 99 - 48 - 2.1/10096=13...(11) QG2 VAL 104 + H LYS 94 OK 43 77 - 56 - ~10236=20, 2.1/10098=7...(14) QD1 LEU 70 + H LYS 94 OK 39 97 - 41 - 7657=11, 10101/3.0=9...(10) QD2 LEU 70 + H LYS 94 OK 39 99 - 40 - 10101/3.0=10, 2.1/7657=9...(10) QD2 LEU 90 + H LYS 94 OK 32 70 - 46 - 2.1/10096=13...(9) QG2 VAL 29 + H LYS 94 OK 14 100 - 13 - 10101/3.0=2, 10977/3.9=1...(5) QD2 LEU 38 + H LYS 94 OK 10 92 - 11 - 10101/3.0=3, 10979/3.9=1 HG13 ILE 54 - H LYS 94 lone 3 87 - 3 - Peak 10100 from nnoeabs.peaks (0.78, 8.61, 118.94 ppm; 3.98 A): 6 out of 11 assignments used, quality = 0.92: QD1 LEU 82 + H LYS 94 OK 64 99 - 64 - 11491/3.0=25...(10) QD2 LEU 80 + H LYS 94 OK 40 98 - 41 - 9938/4.4=13, 2.1/5502=8...(12) QD1 LEU 80 + H LYS 94 OK 33 97 - 34 - 5502=9, 10102/3.0=6...(12) QD2 LEU 64 + H LYS 94 OK 20 100 - 20 - 4667/4.4=5, 2.1/10096=5...(8) QD1 LEU 81 + H LYS 94 OK 17 97 - 18 - 4667/4.4=4, 11601/4.6=3...(8) QG1 VAL 107 + H LYS 94 OK 14 61 - 23 - 2.1/7858=6, 2.1/7857=4...(7) QD2 LEU 14 - H LYS 94 lone 4 61 - 6 - 2.1/1621=1 QG1 VAL 29 - H LYS 94 lone 4 65 - 6 - 2.1/10099=2, ~10101=1 QD1 ILE 7 - H LYS 94 lone 2 77 - 3 - QD1 ILE 15 - H LYS 94 lone 1 65 - 1 - QG2 VAL 32 - H LYS 94 lone 1 61 - 2 - Peak 10164 from nnoeabs.peaks (3.95, 7.29, 110.23 ppm; 5.00 A): 4 out of 5 assignments used, quality = 0.79: HA MET 67 + HE21 GLN 100 OK 39 100 - 39 - 10893/3.5=12...(6) HA ILE 97 + HE21 GLN 100 OK 38 87 - 43 - 10148=15, 10165/1.7=14...(7) HB3 SER 35 + HE21 GLN 100 OK 35 100 - 35 - 10893/3.5=9, 10165/1.7=8...(7) HA GLU 21 + HE21 GLN 100 OK 14 84 - 17 - 10893/3.5=6, 10894/3.5=4...(5) HA MET 121 - HE21 GLN 100 lone 1 61 - 1 - Peak 10165 from nnoeabs.peaks (3.94, 6.75, 110.23 ppm; 5.24 A): 3 out of 4 assignments used, quality = 0.77: HA ILE 97 + HE22 GLN 100 OK 49 100 - 49 - 10148/1.7=21...(7) HA MET 67 + HE22 GLN 100 OK 36 97 - 37 - 10164/1.7=12...(6) HB3 SER 35 + HE22 GLN 100 OK 28 96 - 30 - 10164/1.7=10...(6) HA MET 121 - HE22 GLN 100 lone 1 92 - 1 - Peak 10166 from nnoeabs.peaks (4.33, 6.89, 117.99 ppm; 4.92 A): 0 out of 6 assignments used, low quality = 0.38: HA GLU 98 - H TYR 102 OK 38 100 - 38 - 11168=22, 10159/4.6=13 HA SER 99 - H TYR 102 lone 3 94 - 3 - 10135/10151=2 HA PHE 93 - H TYR 102 lone 2 98 - 2 - 10135/10151=1 HA GLN 85 - H TYR 102 lone 1 100 - 1 - HB THR 9 - H TYR 102 lone 1 84 - 1 - HA LYS 49 - H TYR 102 lone 1 73 - 1 - Peak 10169 from nnoeabs.peaks (0.69, 6.89, 117.99 ppm; 6.20 A): 4 out of 8 assignments used, quality = 0.93: QG2 ILE 97 + H TYR 102 OK 87 97 - 89 - 10118/4.0=40, 10151=40...(7) QD2 LEU 4 + H TYR 102 OK 24 90 - 27 - 4693/4.4=8, 10177/4.0=6...(5) QG2 ILE 56 + H TYR 102 OK 17 99 - 18 - 4693/4.4=6, 10177/4.0=4...(5) QD1 LEU 55 + H TYR 102 OK 15 99 - 15 - 4693/4.4=4, 10177/4.0=3...(5) QD1 ILE 116 - H TYR 102 lone 8 94 - 9 - 10177/4.0=2, 10171/4.0=1...(4) QD1 ILE 57 - H TYR 102 lone 6 65 - 10 - 9574=7 QD2 LEU 114 - H TYR 102 lone 3 61 - 5 - QD2 LEU 81 - H TYR 102 lone 2 70 - 2 - Peak 10215 from nnoeabs.peaks (0.68, 8.32, 122.86 ppm; 5.91 A): 3 out of 7 assignments used, quality = 0.86: QG2 ILE 97 + H GLU 103 OK 78 98 - 80 - 10118/4.6=35...(5) QD2 LEU 4 + H GLU 103 OK 23 100 - 23 - 4693/4.7=7, 10171/4.6=6...(5) QD1 LEU 55 + H GLU 103 OK 14 96 - 14 - 4693/4.7=3, 10177/4.6=3...(5) QG2 ILE 56 - H GLU 103 poor 9 65 - 14 - 4693/4.7=5, 10177/4.6=4...(4) QD1 ILE 56 - H GLU 103 poor 8 77 - 10 - 10182/4.7=3, 10171/4.6=3 QD1 ILE 116 - H GLU 103 lone 8 99 - 8 - 10171/4.6=2, 10177/4.6=1 QD2 LEU 114 - H GLU 103 lone 4 98 - 4 - Peak 10247 from nnoeabs.peaks (8.85, 8.71, 124.86 ppm; 4.37 A): 0 out of 2 assignments used, low quality = 0.42: H LEU 82 - H ARG 105 OK 42 84 - 50 - 3.6/10685=34, 9985=6...(7) H SER 35 - H ARG 105 lone 1 65 - 1 - Peak 10249 from nnoeabs.peaks (7.02, 8.71, 124.86 ppm; 4.70 A): 3 out of 4 assignments used, quality = 0.82: HZ PHE 120 + H ARG 105 OK 76 100 - 76 - 4701=48, 10255/4.9=14...(9) HD22 ASN 33 + H ARG 105 OK 14 100 - 14 - 10255/4.9=3, 10253/4.9=3...(5) HE22 GLN 28 + H ARG 105 OK 13 98 - 14 - 10255/4.9=3, 10253/4.9=3...(5) HD22 ASN 88 - H ARG 105 lone 7 94 - 7 - 10255/4.9=2, 10253/4.9=1...(5) Peak 10267 from nnoeabs.peaks (0.79, 8.71, 124.86 ppm; 4.06 A): 4 out of 7 assignments used, quality = 0.95: QD1 LEU 81 + H ARG 105 OK 61 99 - 61 - 3.9/10685=28...(11) QD2 LEU 80 + H ARG 105 OK 57 94 - 61 - 9930/3.6=19...(10) QD1 LEU 80 + H ARG 105 OK 55 92 - 60 - 11605/3.6=18...(9) QD1 LEU 82 + H ARG 105 OK 34 97 - 35 - 4.6/10247=19, 3.1/1697=4...(9) QD2 LEU 64 - H ARG 105 lone 8 100 - 8 - 4716/4701=2, 11018/4.1=2 QD1 ILE 7 - H ARG 105 lone 3 65 - 5 - ~9080=1, 10280/4.6=1 QG1 VAL 29 - H ARG 105 lone 3 77 - 3 - Peak 10269 from nnoeabs.peaks (1.29, 8.71, 124.86 ppm; 5.06 A): 2 out of 2 assignments used, quality = 0.83: HB3 LEU 80 + H ARG 105 OK 74 98 - 75 - 9929/3.6=32...(7) HG3 LYS 115 + H ARG 105 OK 36 98 - 37 - 10225/4.4=9, 10228/4.2=7...(8) Peak 10279 from nnoeabs.peaks (0.88, 8.81, 121.50 ppm; 4.61 A): 4 out of 8 assignments used, quality = 0.95: QD2 LEU 90 + H LYS 106 OK 76 100 - 76 - 10072/3.0=29...(15) QG2 VAL 107 + H LYS 106 OK 59 84 - 71 - 10306/3.0=22...(13) QG2 VAL 104 + H LYS 106 OK 41 100 - 41 - 667/4.6=22, 11508/4.2=8...(8) QG1 VAL 32 + H LYS 106 OK 12 81 - 14 - 10282/3.0=2, 2.1/10280=2...(5) QG2 THR 9 - H LYS 106 poor 9 65 - 13 - 9116/4.0=2, 9116/4.0=2...(5) QG2 VAL 117 - H LYS 106 lone 6 73 - 8 - 10282/3.0=1 QD2 LEU 38 - H LYS 106 lone 5 96 - 5 - 667/4.6=1 QG2 VAL 29 - H LYS 106 lone 2 77 - 3 - Peak 10280 from nnoeabs.peaks (0.77, 8.81, 121.50 ppm; 4.44 A): 7 out of 11 assignments used, quality = 0.95: QG1 VAL 107 + H LYS 106 OK 62 94 - 66 - 10311/3.0=24...(9) QD1 LEU 82 + H LYS 106 OK 50 98 - 51 - ~9976=13, ~9975=12...(12) QD1 LEU 81 + H LYS 106 OK 36 70 - 51 - 11401/3.0=21...(9) QD1 ILE 7 + H LYS 106 OK 23 99 - 23 - 3.2/9089=4, 3.3/9088=4...(9) QD1 LEU 80 + H LYS 106 OK 21 100 - 21 - 10267/4.6=4, 3.1/673=3...(9) QD2 LEU 80 + H LYS 106 OK 21 99 - 21 - 10267/4.6=4, 3.1/673=3...(9) QG2 VAL 32 + H LYS 106 OK 11 94 - 11 - 2.1/10279=2, 10289/5.0=1...(6) QD2 LEU 64 - H LYS 106 lone 5 90 - 6 - 11018/4.2=1 QD2 LEU 14 - H LYS 106 lone 5 94 - 5 - 1714/4.6=1 QD1 ILE 15 - H LYS 106 lone 3 96 - 3 - QD1 LEU 45 - H LYS 106 lone 1 65 - 1 - Peak 10281 from nnoeabs.peaks (0.66, 8.81, 121.50 ppm; 5.41 A): 3 out of 6 assignments used, quality = 0.47: QD1 ILE 116 + H LYS 106 OK 24 70 - 35 - 11015/4.2=10...(7) QD2 LEU 114 + H LYS 106 OK 19 97 - 20 - 2.1/10437=4, 3.1/1705=4...(6) QD1 ILE 56 + H LYS 106 OK 13 100 - 13 - 7580/4.6=4, 9547/4.2=3...(4) QG2 ILE 97 - H LYS 106 poor 7 61 - 11 - 10114/4.2=3, 11015/4.2=2 QD1 ILE 71 - H LYS 106 lone 5 94 - 5 - QD2 LEU 4 - H LYS 106 lone 4 77 - 5 - 3.8/10681=1 Peak 10302 from nnoeabs.peaks (5.26, 8.55, 118.79 ppm; 3.78 A): 2 out of 2 assignments used, quality = 0.71: * HA GLN 83 + H VAL 107 OK 54 100 - 54 - 9990=26, 10305/4.0=12...(7) HA LEU 81 + H VAL 107 OK 37 94 - 39 - 3.6/9984=15...(5) Peak 10346 from nnoeabs.peaks (4.61, 8.04, 122.57 ppm; 4.01 A): 1 out of 2 assignments used, quality = 0.56: HA VAL 107 + H ASP 109 OK 56 99 - 56 - 3.6/691=26, 3.2/10354=18...(4) HA ASN 50 - H ASP 109 lone 0 84 - 1 - Peak 10351 from nnoeabs.peaks (2.32, 8.04, 122.57 ppm; 5.87 A): 4 out of 9 assignments used, quality = 0.75: HG2 GLN 83 + H ASP 109 OK 38 87 - 44 - 10000/3.6=26...(7) HG2 GLU 112 + H ASP 109 OK 30 84 - 36 - 10903/4.0=13...(7) HG3 GLU 112 + H ASP 109 OK 29 81 - 36 - 10903/4.0=13...(7) HG3 GLU 89 + H ASP 109 OK 19 84 - 23 - 10362/4.0=7, 5.2/1932=4...(8) HG2 GLU 92 - H ASP 109 lone 9 96 - 10 - 10362/4.0=3, 3.0/10352=1...(4) HG3 GLU 103 - H ASP 109 lone 6 100 - 6 - 10362/4.0=2, 10357/4.0=1 HG3 GLU 13 - H ASP 109 lone 5 81 - 6 - 10362/4.0=2 HG3 GLU 48 - H ASP 109 lone 4 99 - 4 - 10362/4.0=1 HB3 PHE 120 - H ASP 109 lone 3 61 - 5 - 4.0/2220=1 Peak 10352 from nnoeabs.peaks (2.11, 8.04, 122.57 ppm; 3.43 A): 2 out of 17 assignments used, quality = 0.60: HB VAL 107 + H ASP 109 OK 52 92 - 56 - 3.0/10346=21...(7) HG3 GLN 83 + H ASP 109 OK 17 90 - 20 - 10001/3.6=8, 688/4.6=3...(6) HB2 GLU 21 - H ASP 109 lone 9 92 - 10 - 11655=4, 1.8/11654=2, 4.1/9206=1 HG2 GLU 21 - H ASP 109 lone 8 100 - 8 - 3.0/11655=3, 3.0/11654=1...(4) HG3 GLU 21 - H ASP 109 lone 8 100 - 8 - 3.0/11655=3, 3.0/11654=1...(4) HB2 GLU 111 - H ASP 109 lone 6 97 - 6 - 10365/4.6=3, 10363/4.0=1 HB2 GLU 87 - H ASP 109 lone 5 87 - 5 - 3.0/8164=2 HB3 GLU 66 - H ASP 109 lone 4 84 - 4 - HB3 GLU 92 - H ASP 109 lone 3 100 - 3 - HB2 LEU 38 - H ASP 109 lone 2 96 - 3 - HB3 GLU 119 - H ASP 109 lone 2 96 - 2 - HB2 GLU 119 - H ASP 109 lone 2 90 - 2 - HB3 GLU 69 - H ASP 109 lone 1 70 - 2 - HB2 GLU 91 - H ASP 109 lone 1 61 - 2 - 4.0/566=1 HB2 GLU 103 - H ASP 109 lone 1 61 - 1 - HB3 GLU 47 - H ASP 109 lone 1 99 - 1 - HG2 GLU 52 - H ASP 109 lone 1 98 - 1 - Peak 10354 from nnoeabs.peaks (0.87, 8.04, 122.57 ppm; 3.36 A): 4 out of 10 assignments used, quality = 0.77: QG2 VAL 107 + H ASP 109 OK 66 99 - 67 - 3.2/10346=20, 10297=17...(10) QD2 LEU 90 + H ASP 109 OK 14 92 - 15 - 5810=2, 10322/4.4=2...(8) QG2 VAL 117 + H ASP 109 OK 13 97 - 13 - 7904=2, 10364/4.0=2...(6) QD1 LEU 14 + H ASP 109 OK 11 84 - 13 - 10368/4.6=3, 2.1/10355=3...(5) QG1 VAL 32 - H ASP 109 lone 8 99 - 8 - 2.1/10355=1, 10322/4.4=1...(4) QG2 THR 9 - H ASP 109 lone 5 94 - 5 - HG13 ILE 57 - H ASP 109 lone 4 84 - 4 - QG2 VAL 104 - H ASP 109 lone 3 87 - 3 - 10322/4.4=1 QG2 VAL 22 - H ASP 109 lone 2 65 - 4 - QD2 LEU 38 - H ASP 109 lone 2 70 - 2 - Peak 10355 from nnoeabs.peaks (0.77, 8.04, 122.57 ppm; 4.21 A): 2 out of 11 assignments used, quality = 0.76: QG1 VAL 107 + H ASP 109 OK 72 94 - 76 - 3.2/10346=31...(7) QD2 LEU 14 + H ASP 109 OK 15 94 - 16 - 10369/4.6=6, 2.1/10354=4...(5) QD1 ILE 7 - H ASP 109 lone 8 99 - 8 - 2.1/694=2, 690/4.6=1 QG2 VAL 32 - H ASP 109 lone 7 94 - 8 - 2.1/10354=3, 10369/4.6=2 QD1 ILE 15 - H ASP 109 lone 4 96 - 4 - 10369/4.6=2 QD1 LEU 80 - H ASP 109 lone 4 100 - 4 - QD2 LEU 80 - H ASP 109 lone 3 99 - 3 - QD1 LEU 81 - H ASP 109 lone 3 70 - 4 - 11607/10352=2 QD2 LEU 64 - H ASP 109 lone 2 90 - 2 - QD1 LEU 82 - H ASP 109 lone 2 98 - 2 - QD1 LEU 45 - H ASP 109 lone 1 65 - 1 - Peak 10365 from nnoeabs.peaks (2.10, 8.70, 122.85 ppm; 4.34 A): 4 out of 16 assignments used, quality = 0.82: HB2 GLU 111 + H ASP 110 OK 45 100 - 45 - 3.9/699=25, 4.6/2180=20...(5) HB2 GLU 112 + H ASP 110 OK 37 84 - 44 - 4.0/2180=23, 4.6/10411=8...(7) HB3 GLU 112 + H ASP 110 OK 35 81 - 44 - 4.0/2180=23, 4.6/10411=8...(7) HB VAL 107 + H ASP 110 OK 20 61 - 33 - 10352/4.6=10...(7) HB3 GLU 66 - H ASP 110 lone 7 99 - 7 - 10358/4.4=2, 10363/4.4=1 HB2 GLU 87 - H ASP 110 lone 6 100 - 6 - 1729/4.6=2 HB2 LEU 38 - H ASP 110 lone 3 70 - 4 - 3.8/1953=2 HG3 GLU 21 - H ASP 110 lone 3 97 - 3 - 10352/4.6=1 HG2 GLU 21 - H ASP 110 lone 3 94 - 3 - 10352/4.6=2 HB3 GLU 69 - H ASP 110 lone 2 96 - 2 - HB2 GLU 103 - H ASP 110 lone 2 92 - 2 - HB2 GLU 21 - H ASP 110 lone 2 61 - 3 - 10352/4.6=2 HB3 GLU 92 - H ASP 110 lone 2 92 - 2 - HG2 GLU 52 - H ASP 110 lone 1 100 - 1 - HB3 GLU 47 - H ASP 110 lone 1 84 - 1 - HB3 GLU 119 - H ASP 110 lone 1 70 - 1 - Peak 10367 from nnoeabs.peaks (1.41, 8.70, 122.85 ppm; 4.83 A): 3 out of 9 assignments used, quality = 0.89: QB ALA 113 + H ASP 110 OK 84 100 - 84 - 8234/3.0=41, 10407=19...(14) HB3 GLN 83 + H ASP 110 OK 21 97 - 22 - 8233/3.0=6, 4.4/1953=5...(7) HB3 LEU 114 + H ASP 110 OK 11 73 - 14 - 8233/3.0=5, 10376/4.0=3...(4) HG3 LYS 106 - H ASP 110 lone 7 90 - 8 - 10376/4.0=2, 10384/4.0=2...(4) HG3 LYS 17 - H ASP 110 lone 6 73 - 8 - 11518/10369=2...(4) HG3 LYS 16 - H ASP 110 lone 6 70 - 8 - 10384/4.0=3, 10376/4.0=3 HB3 LEU 63 - H ASP 110 lone 4 84 - 5 - 9676/4.4=1 HG12 ILE 56 - H ASP 110 lone 2 81 - 2 - HB3 LYS 61 - H ASP 110 lone 1 61 - 1 - Peak 10368 from nnoeabs.peaks (0.86, 8.70, 122.85 ppm; 4.43 A): 3 out of 10 assignments used, quality = 0.93: QD1 LEU 14 + H ASP 110 OK 78 99 - 79 - 9168/3.0=32...(12) QG2 VAL 107 + H ASP 110 OK 54 99 - 55 - 10297/4.6=14...(13) QG2 VAL 117 + H ASP 110 OK 26 100 - 26 - 10522/10367=4...(11) QG1 VAL 32 - H ASP 110 OK 23 99 - 23 - 2.1/10369=4, 10371/3.0=3...(9) QG2 THR 9 - H ASP 110 OK 17 100 - 17 - 3.2/696=2, 10371/3.0=2...(10) QG2 ILE 15 - H ASP 110 OK 13 73 - 17 - 4.1/2180=3, 3.0/10369=3...(6) HG13 ILE 57 - H ASP 110 lone 7 99 - 7 - 11419/4.0=1, 10371/3.0=1 QG2 VAL 22 - H ASP 110 lone 7 94 - 7 - 10360/4.4=1, 10364/4.4=1 QD2 LEU 90 - H ASP 110 lone 6 61 - 10 - 10354/4.6=3, 4.4/695=2 HG13 ILE 5 - H ASP 110 lone 3 70 - 4 - Peak 10369 from nnoeabs.peaks (0.76, 8.70, 122.85 ppm; 4.74 A): 4 out of 11 assignments used, quality = 0.89: QD2 LEU 14 + H ASP 110 OK 70 100 - 70 - 9169/3.0=30, ~9168=22...(10) QG1 VAL 107 + H ASP 110 OK 47 100 - 47 - 10355/4.6=14...(11) QG2 VAL 32 + H ASP 110 OK 20 100 - 20 - 2.1/10368=4, 10372/3.0=4...(7) QD1 ILE 15 + H ASP 110 OK 17 100 - 17 - 10372/3.0=3, 5.0/2180=3...(7) QD1 ILE 7 - H ASP 110 lone 8 99 - 8 - 10355/4.6=2, 10372/3.0=1 QD1 LEU 80 - H ASP 110 lone 5 87 - 6 - 10372/3.0=1 QD2 LEU 80 - H ASP 110 lone 5 84 - 6 - 10372/3.0=1 QD1 LEU 82 - H ASP 110 lone 3 77 - 4 - 4.6/9985=1 QD1 LEU 45 - H ASP 110 lone 2 94 - 2 - QG2 ILE 7 - H ASP 110 lone 2 61 - 3 - QG2 ILE 54 - H ASP 110 lone 1 70 - 2 - Peak 10395 from nnoeabs.peaks (2.82, 8.21, 119.14 ppm; 6.20 A): 1 out of 4 assignments used, quality = 0.74: HB2 ASP 109 + H GLU 111 OK 74 99 - 75 - 697/4.6=41, 10403/4.5=32...(6) HB3 GLN 25 - H GLU 111 lone 8 98 - 8 - 10403/4.5=2, 697/4.6=1 HB3 ASN 10 - H GLU 111 lone 3 99 - 3 - 10403/4.5=1 HE2 LYS 77 - H GLU 111 lone 3 99 - 3 - Peak 10397 from nnoeabs.peaks (1.65, 8.23, 121.40 ppm; 5.19 A): 7 out of 14 assignments used, quality = 0.93: HG LEU 114 + H GLU 112 OK 61 100 - 61 - 11192/3.6=24...(10) HD2 LYS 115 + H GLU 112 OK 36 96 - 38 - 11463/3.0=12, ~11463=9...(8) HD3 LYS 115 + H GLU 112 OK 34 90 - 38 - 11463/3.0=11, ~11463=9...(8) HB ILE 116 + H GLU 112 OK 20 65 - 31 - 4.4/1955=11, 7897/4.6=8...(6) HD3 LYS 65 + H GLU 112 OK 18 100 - 18 - 11463/3.0=4, ~11463=3...(9) HD2 LYS 65 + H GLU 112 OK 17 98 - 18 - 11463/3.0=4, ~11463=3...(9) HG LEU 64 + H GLU 112 OK 16 98 - 17 - 2.1/10400=4, 11192/3.6=3...(4) HG LEU 90 - H GLU 112 lone 8 94 - 8 - 2.1/10399=3, 5.3/560=1 HB3 LEU 64 - H GLU 112 poor 7 61 - 11 - 3.1/10400=4, ~11463=1...(4) HB ILE 5 - H GLU 112 lone 6 100 - 6 - 11519/7357=2 HB2 GLU 52 - H GLU 112 lone 2 96 - 3 - HB2 ARG 30 - H GLU 112 lone 2 98 - 2 - HD3 LYS 49 - H GLU 112 lone 2 99 - 2 - HD2 LYS 49 - H GLU 112 lone 2 99 - 2 - Peak 10398 from nnoeabs.peaks (1.42, 8.23, 121.40 ppm; 4.17 A): 2 out of 7 assignments used, quality = 0.73: QB ALA 113 + H GLU 112 OK 70 97 - 72 - 2.9/1955=26, 3.7/2184=18...(14) HB3 GLN 83 + H GLU 112 OK 10 100 - 10 - 3.0/1738=2, 11518/7358=2...(4) HG3 LYS 17 - H GLU 112 poor 10 87 - 11 - 4.9/1987=2, 11517/7357=2...(5) HB3 LEU 63 - H GLU 112 lone 3 94 - 4 - HG3 LYS 106 - H GLU 112 lone 3 77 - 4 - 10898/10399=1 HG12 ILE 56 - H GLU 112 lone 1 92 - 1 - HB3 LYS 61 - H GLU 112 lone 1 77 - 1 - Peak 10399 from nnoeabs.peaks (0.88, 8.23, 121.40 ppm; 4.25 A): 3 out of 9 assignments used, quality = 0.71: QG2 VAL 107 + H GLU 112 OK 48 96 - 51 - 2.1/10400=8, 10308/3.0=7...(16) QG2 VAL 117 + H GLU 112 OK 28 90 - 32 - 6841/4.6=10, 4.0/1955=9...(8) QD1 LEU 14 + H GLU 112 OK 23 70 - 33 - 2.1/7358=9, 7357=8...(13) QG1 VAL 32 - H GLU 112 lone 9 94 - 10 - 9282/4.5=2, 2.1/10400=2 QG2 THR 9 - H GLU 112 poor 9 84 - 11 - 9125=5 QD2 LEU 90 - H GLU 112 lone 8 98 - 8 - QG2 VAL 104 - H GLU 112 lone 4 96 - 4 - 4.2/2183=1 QD2 LEU 38 - H GLU 112 lone 2 84 - 2 - HG13 ILE 57 - H GLU 112 lone 1 70 - 2 - Peak 10400 from nnoeabs.peaks (0.78, 8.23, 121.40 ppm; 4.69 A): 5 out of 10 assignments used, quality = 0.70: QG1 VAL 107 + H GLU 112 OK 32 70 - 46 - 2.1/10399=15, ~10308=7...(10) QD2 LEU 14 + H GLU 112 OK 24 70 - 35 - 2.1/7357=12, 7358=8...(10) QD1 LEU 81 + H GLU 112 OK 21 94 - 23 - 11601/4.6=7, 11607/4.0=3...(8) QD1 ILE 15 + H GLU 112 OK 16 73 - 21 - 2.1/2699=6, 2.1/2706=5, 2713=5 QD2 LEU 64 + H GLU 112 OK 12 100 - 12 - 2.1/10397=2, ~11463=2...(4) QG2 VAL 32 - H GLU 112 lone 6 70 - 9 - 2.1/10399=3, 9283/4.5=2 QD1 ILE 7 - H GLU 112 lone 4 84 - 5 - QD1 LEU 80 - H GLU 112 lone 3 99 - 3 - QD2 LEU 80 - H GLU 112 lone 3 99 - 3 - QD1 LEU 82 - H GLU 112 lone 2 100 - 2 - Peak 10402 from nnoeabs.peaks (2.72, 8.23, 121.40 ppm; 3.86 A): 1 out of 6 assignments used, quality = 0.61: HB3 ASP 109 + H GLU 112 OK 61 96 - 64 - 1.8/10403=26...(10) HG3 GLU 37 - H GLU 112 lone 8 97 - 8 - 7465/4.5=2, 3.0/708=1 HB3 ASN 50 - H GLU 112 lone 2 81 - 2 - HB2 ASN 50 - H GLU 112 lone 2 77 - 2 - HE3 LYS 53 - H GLU 112 lone 1 99 - 1 - HB2 ASP 60 - H GLU 112 lone 1 81 - 1 - Peak 10403 from nnoeabs.peaks (2.81, 8.23, 121.40 ppm; 4.44 A): 1 out of 4 assignments used, quality = 0.77: HB2 ASP 109 + H GLU 112 OK 77 100 - 77 - 1.8/10402=37...(9) HB3 GLN 25 - H GLU 112 lone 6 100 - 5 - 10395/4.5=1, 1.8/706=1 HB3 ASN 10 - H GLU 112 lone 3 99 - 3 - HE2 LYS 77 - H GLU 112 lone 2 87 - 2 - Peak 10411 from nnoeabs.peaks (8.69, 8.12, 120.32 ppm; 6.20 A): 2 out of 8 assignments used, quality = 0.93: H ASP 110 + H ALA 113 OK 89 98 - 91 - 3.0/8232=37, ~8234=34...(12) H ASP 110 + H VAL 117 OK 33 94 - 35 - 3.0/8232=11, 4.4/11123=8...(8) H ASP 86 - H ALA 113 lone 9 100 - 9 - 2183/4.6=4, 10407/2.9=2 H ARG 105 - H ALA 113 lone 7 77 - 9 - 10407/2.9=3, 2183/4.6=2 H ARG 105 - H VAL 117 lone 5 72 - 7 - 4.9/10430=3, 10267/11601=2 H ASP 86 - H VAL 117 lone 3 97 - 4 - H GLU 98 - H ALA 113 lone 2 57 - 4 - H GLU 98 - H VAL 117 lone 1 53 - 3 - Peak 10430 from nnoeabs.peaks (1.74, 8.12, 120.23 ppm; 4.17 A): 6 out of 24 assignments used, quality = 0.90: HB2 LEU 114 + H ALA 113 OK 65 95 - 68 - 6664/4.6=19, 3.0/2206=15...(14) HB2 LEU 114 + H VAL 117 OK 43 99 - 43 - 3.0/2206=15, 3.9/715=12...(7) HG2 ARG 118 + H VAL 117 OK 17 90 - 19 - 4.5/742=13, 751/2215=4 HB3 LEU 82 + H VAL 117 OK 17 99 - 17 - ~11492=10, 1.8/737=3...(4) HG3 ARG 105 + H VAL 117 OK 17 87 - 19 - 10274/4.3=16, 11512/7901=1 HG2 ARG 118 + H ALA 113 OK 16 84 - 19 - 4.5/742=7, 11024/3.0=2...(9) HG12 ILE 15 - H ALA 113 poor 8 75 - 11 - 2699/4.6=2, 5.0/709=2...(5) HG12 ILE 15 - H VAL 117 lone 7 81 - 9 - ~11195=2, ~10502=2, 2.9/10431=2 HG3 ARG 105 - H ALA 113 lone 6 81 - 8 - 10274/738=4, 11512/7901=1 HB3 LEU 82 - H ALA 113 lone 5 96 - 6 - 9966/2.9=1 HB2 LEU 68 - H ALA 113 lone 4 92 - 4 - HG2 LYS 17 - H ALA 113 lone 4 72 - 5 - 1744/4.6=1, 3.0/10431=1 HB2 LEU 68 - H VAL 117 lone 3 97 - 3 - HG2 LYS 17 - H VAL 117 lone 2 77 - 3 - HB3 LEU 90 - H ALA 113 lone 2 60 - 4 - HB3 LYS 94 - H ALA 113 lone 2 95 - 2 - HB3 LYS 94 - H VAL 117 lone 2 99 - 2 - HD3 LYS 123 - H VAL 117 lone 2 96 - 2 - HD3 LYS 123 - H ALA 113 lone 2 91 - 2 - HB3 LEU 90 - H VAL 117 lone 1 65 - 2 - HB2 LEU 80 - H ALA 113 lone 1 78 - 1 - HB2 LEU 80 - H VAL 117 lone 1 84 - 1 - HB3 LYS 49 - H ALA 113 lone 1 72 - 1 - HB3 LYS 49 - H VAL 117 lone 1 77 - 1 - Peak 10431 from nnoeabs.peaks (1.91, 8.12, 120.23 ppm; 4.30 A): 7 out of 38 assignments used, quality = 0.81: HB2 LEU 81 + H VAL 117 OK 42 94 - 45 - 9961/4.3=13...(8) HB2 LEU 81 + H ALA 113 OK 28 89 - 31 - 3.1/11601=8, 3.1/9947=7...(10) HB2 LYS 115 + H ALA 113 OK 21 60 - 34 - 4.4/735=14, 4.0/2198=13...(4) HB2 LYS 115 + H VAL 117 OK 19 65 - 29 - 4.4/735=13, 4.0/2198=10...(4) HB ILE 7 + H VAL 117 OK 13 65 - 20 - ~9077=11, ~11195=6, 9073/4.0=2 HB ILE 15 + H VAL 117 OK 11 99 - 11 - ~8276=2, ~11195=2...(6) HB ILE 15 + H ALA 113 OK 11 95 - 11 - 3.8/709=3, ~10418=1, 2.9/10430=1 HG2 MET 121 - H VAL 117 poor 10 97 - 10 - 10593/4.0=4, 10523/4.0=4 HB3 LYS 17 - H ALA 113 lone 7 81 - 9 - ~10428=2, ~11010=1 HB3 LYS 17 - H VAL 117 lone 5 87 - 5 - 10487/4.4=1 HG2 MET 121 - H ALA 113 lone 4 92 - 4 - 10523/6841=1 HB ILE 7 - H ALA 113 lone 2 60 - 3 - HB3 LYS 123 - H VAL 117 lone 2 99 - 2 - HB2 LYS 43 - H ALA 113 lone 2 96 - 2 - HB3 LYS 43 - H ALA 113 lone 2 89 - 2 - HB3 LYS 123 - H ALA 113 lone 1 96 - 2 - HB2 LYS 44 - H VAL 117 lone 1 100 - 1 - HB2 LEU 45 - H ALA 113 lone 1 94 - 1 - HB2 LEU 45 - H VAL 117 lone 1 98 - 1 - HB2 LYS 43 - H VAL 117 lone 1 100 - 1 - HB3 LYS 44 - H VAL 117 lone 1 99 - 1 - HB2 LYS 96 - H VAL 117 lone 1 94 - 1 - HB2 LYS 44 - H ALA 113 lone 1 97 - 1 - HB3 LYS 43 - H VAL 117 lone 1 94 - 1 - HB2 LYS 96 - H ALA 113 lone 1 89 - 1 - HB2 LYS 73 - H ALA 113 lone 1 72 - 2 - HB ILE 71 - H VAL 117 lone 1 81 - 1 - HB ILE 71 - H ALA 113 lone 1 75 - 1 - HB2 LYS 73 - H VAL 117 lone 1 77 - 1 - HB3 LYS 73 - H ALA 113 lone 1 68 - 2 - HB3 LYS 44 - H ALA 113 lone 1 96 - 1 - HB3 LYS 73 - H VAL 117 lone 1 73 - 1 - HB2 GLU 128 - H VAL 117 lone 1 94 - 1 - HB2 LYS 49 - H ALA 113 lone 1 84 - 1 - HB2 GLU 128 - H ALA 113 lone 1 89 - 1 - HB2 LYS 49 - H VAL 117 lone 1 90 - 1 - HB2 ARG 95 - H VAL 117 lone 1 84 - 1 - HB2 ARG 95 - H ALA 113 lone 1 78 - 1 - Peak 10442 from nnoeabs.peaks (0.87, 7.74, 116.90 ppm; 3.97 A): 3 out of 10 assignments used, quality = 0.90: QG2 VAL 117 + H LEU 114 OK 74 97 - 76 - 10515/3.0=26, ~10518=16...(11) QG2 VAL 107 + H LEU 114 OK 50 99 - 51 - 10307/3.6=20...(10) QD1 LEU 14 + H LEU 114 OK 24 84 - 29 - 9168/8235=5, 11517/3.7=4...(12) QG2 THR 9 - H LEU 114 lone 8 94 - 9 - 9125/2190=1, 10445/3.0=1 QG1 VAL 32 - H LEU 114 lone 6 99 - 6 - QD2 LEU 90 - H LEU 114 lone 3 92 - 3 - HG13 ILE 57 - H LEU 114 lone 2 84 - 2 - QG2 VAL 22 - H LEU 114 lone 2 65 - 3 - QG2 VAL 104 - H LEU 114 lone 1 87 - 2 - QD2 LEU 38 - H LEU 114 lone 1 70 - 1 - Peak 10443 from nnoeabs.peaks (1.94, 7.74, 116.90 ppm; 5.11 A): 5 out of 20 assignments used, quality = 0.89: HB3 LYS 115 + H LEU 114 OK 58 100 - 59 - 4.0/718=33, 4.4/2193=24...(7) HB2 LYS 115 + H LEU 114 OK 56 96 - 59 - 4.0/718=33, 4.4/2193=24...(6) HB3 LYS 17 + H LEU 114 OK 18 81 - 22 - 10914/4.5=11, 3.0/2191=5...(5) HB2 LYS 65 + H LEU 114 OK 15 100 - 15 - 1752/4.6=5, 3.4/1746=2...(5) HB3 LYS 65 + H LEU 114 OK 15 100 - 15 - 1752/4.6=5, 3.4/1746=2...(5) HB2 LEU 81 - H LEU 114 lone 6 70 - 9 - 3.1/1747=3, 727/2193=1...(4) HB VAL 104 - H LEU 114 lone 4 92 - 4 - 10223/4.5=1 HB2 LYS 123 - H LEU 114 lone 3 100 - 3 - HB3 GLU 41 - H LEU 114 lone 3 84 - 4 - 11236/4.5=3 HB2 GLU 41 - H LEU 114 lone 3 81 - 4 - 11236/4.5=3 HB3 MET 42 - H LEU 114 lone 2 81 - 3 - HG2 MET 121 - H LEU 114 lone 2 61 - 4 - 10523/10442=2 HB3 LYS 40 - H LEU 114 lone 2 94 - 2 - HB2 LEU 70 - H LEU 114 lone 2 98 - 2 - HB2 LYS 39 - H LEU 114 lone 2 100 - 2 - HB3 LYS 39 - H LEU 114 lone 1 87 - 2 - HB VAL 29 - H LEU 114 lone 1 70 - 2 - HB2 LEU 127 - H LEU 114 lone 1 100 - 1 - HB3 GLU 52 - H LEU 114 lone 1 73 - 2 - HB3 GLU 128 - H LEU 114 lone 1 65 - 1 - Peak 10444 from nnoeabs.peaks (2.07, 7.74, 116.90 ppm; 4.76 A): 2 out of 14 assignments used, quality = 0.61: HB3 GLU 112 + H LEU 114 OK 38 73 - 52 - 4.0/2184=22, 4.6/715=19...(8) HB2 GLU 112 + H LEU 114 OK 36 70 - 52 - 4.0/2184=22, 4.6/715=19...(8) HB2 GLU 47 - H LEU 114 poor 10 90 - 11 - 7528=4, 1.8/7529=4...(4) HG2 GLU 119 - H LEU 114 lone 8 94 - 8 - 11200/1748=2...(3) HB3 GLN 100 - H LEU 114 lone 3 61 - 5 - 4.0/718=4 HB2 GLN 28 - H LEU 114 lone 3 99 - 3 - HB2 LYS 94 - H LEU 114 lone 2 100 - 2 - HB2 GLU 92 - H LEU 114 lone 2 81 - 3 - HB3 PHE 79 - H LEU 114 lone 2 96 - 2 - HB3 MET 121 - H LEU 114 lone 2 92 - 2 - HB2 GLU 13 - H LEU 114 lone 2 100 - 2 - HB3 MET 67 - H LEU 114 lone 2 65 - 3 - HB3 GLU 98 - H LEU 114 lone 2 81 - 2 - HB3 GLU 91 - H LEU 114 lone 1 100 - 1 - Peak 10451 from nnoeabs.peaks (0.86, 7.62, 119.07 ppm; 4.61 A): 3 out of 20 assignments used, quality = 0.80: QG2 VAL 117 + H LYS 115 OK 59 100 - 59 - 10515/3.6=30...(10) QG2 VAL 107 + H LYS 115 OK 38 99 - 38 - 10442/4.6=7, 11417/4.9=7...(11) QD1 LEU 14 + H LYS 115 OK 20 99 - 20 - 10445/3.6=4, 11676/4.3=3...(7) QG1 VAL 32 - H LYS 115 lone 9 99 - 9 - 9278=2, 3.2/9277=1 QG2 THR 9 - H LYS 115 lone 8 100 - 8 - 10445/3.6=2, 9116/4.3=2 QG2 ILE 15 - H LYS 115 lone 7 73 - 10 - 4.1/1864=3, 2.1/7360=2...(4) QG2 VAL 107 - H GLN 100 poor 7 64 - 11 - 10296/4.6=5, 10308/4.5=1 QG1 VAL 32 - H GLN 100 lone 4 65 - 6 - 9278=1 QG2 VAL 22 - H LYS 115 lone 3 94 - 3 - QG2 VAL 117 - H GLN 100 lone 3 67 - 4 - HG13 ILE 57 - H LYS 115 lone 2 99 - 2 - QD2 LEU 90 - H LYS 115 lone 2 61 - 3 - HG13 ILE 5 - H LYS 115 lone 2 70 - 3 - QG2 THR 9 - H GLN 100 lone 2 67 - 3 - 10757/4.0=1 QD1 LEU 14 - H GLN 100 lone 2 65 - 3 - QG2 VAL 22 - H GLN 100 lone 1 58 - 2 - HG13 ILE 57 - H GLN 100 lone 1 65 - 1 - QG2 ILE 15 - H GLN 100 lone 1 42 - 2 - QD2 LEU 90 - H GLN 100 lone 1 34 - 2 - HG13 ILE 5 - H GLN 100 lone 1 39 - 1 - Peak 10478 from nnoeabs.peaks (0.79, 8.00, 120.61 ppm; 4.44 A): 5 out of 7 assignments used, quality = 0.90: QD1 LEU 81 + H ILE 116 OK 75 99 - 75 - 9958/4.0=34...(13) QD2 LEU 64 + H ILE 116 OK 29 100 - 29 - 10452/3.6=7, 4786/4.6=4...(11) QD2 LEU 80 + H ILE 116 OK 19 94 - 21 - 10452/3.6=4, 3.1/730=3...(7) QD1 LEU 80 + H ILE 116 OK 17 92 - 19 - 10452/3.6=4, 3.1/730=3...(7) QD1 LEU 82 + H ILE 116 OK 14 97 - 14 - 10484/3.9=2, 2.1/1763=2...(7) QD1 ILE 7 - H ILE 116 lone 4 65 - 6 - 10491/4.0=2, 10484/3.9=1 QG1 VAL 29 - H ILE 116 lone 1 77 - 2 - Peak 10479 from nnoeabs.peaks (1.42, 8.00, 120.61 ppm; 5.17 A): 3 out of 11 assignments used, quality = 0.78: QB ALA 113 + H ILE 116 OK 71 90 - 80 - 2.1/8251=34, 3.7/2193=28...(9) HG3 LYS 17 + H ILE 116 OK 13 96 - 14 - 10486/3.9=3, 3.9/2202=3...(5) HB3 LEU 63 + H ILE 116 OK 11 99 - 11 - 4.6/725=4, 10486/3.9=2...(4) HB3 GLN 83 - H ILE 116 lone 5 100 - 5 - 10486/3.9=3 HG12 ILE 56 - H ILE 116 lone 5 98 - 5 - 1.8/1764=1 HG2 LYS 96 - H ILE 116 lone 2 61 - 4 - 1.8/7890=2 HG3 LYS 106 - H ILE 116 lone 2 61 - 4 - HB3 LYS 61 - H ILE 116 lone 2 90 - 2 - HG3 LYS 44 - H ILE 116 lone 2 70 - 2 - HB2 LEU 4 - H ILE 116 lone 1 73 - 2 - HB3 LEU 4 - H ILE 116 lone 1 73 - 2 - Peak 10480 from nnoeabs.peaks (2.08, 8.00, 120.61 ppm; 4.74 A): 4 out of 13 assignments used, quality = 0.94: HG2 GLU 119 + H ILE 116 OK 70 96 - 73 - 10549/3.0=29, ~10548=17...(10) HB2 GLU 112 + H ILE 116 OK 55 100 - 55 - 3.0/8249=29, 4.6/735=16...(11) HB3 GLU 112 + H ILE 116 OK 54 100 - 55 - 3.0/8249=29, 4.6/735=16...(11) HB2 GLU 111 + H ILE 116 OK 11 77 - 15 - 3.0/2202=5, 10490/4.0=2...(4) HB3 GLU 66 - H ILE 116 lone 7 94 - 8 - 10490/4.0=2, 10498/4.7=1 HB3 GLU 69 - H ILE 116 lone 6 99 - 6 - 4.0/725=1 HB2 GLU 87 - H ILE 116 lone 3 92 - 3 - HB2 GLU 103 - H ILE 116 lone 3 100 - 3 - HB3 MET 121 - H ILE 116 lone 2 97 - 2 - HB2 LYS 94 - H ILE 116 lone 2 81 - 2 - HB3 GLU 91 - H ILE 116 lone 2 77 - 2 - HB3 PHE 79 - H ILE 116 lone 1 94 - 1 - HG2 GLU 52 - H ILE 116 lone 1 73 - 2 - Peak 10544 from nnoeabs.peaks (0.71, 7.92, 122.42 ppm; 5.77 A): 3 out of 10 assignments used, quality = 0.86: QG1 VAL 117 + H GLU 119 OK 73 92 - 79 - 4.3/1961=33, 3.2/2214=31...(7) QD2 LEU 81 + H GLU 119 OK 39 99 - 39 - 9959/10545=15...(9) QD2 LEU 63 + H GLU 119 OK 15 100 - 15 - 11048/3.0=3, 9684/4.0=2...(7) QD1 ILE 57 - H GLU 119 lone 9 99 - 9 - 10541/3.6=2, 7586/4.6=2 QG2 ILE 18 - H GLU 119 lone 7 97 - 7 - 10541/3.6=2, 10552/4.6=2 QD2 LEU 45 - H GLU 119 lone 6 81 - 7 - 3.1/752=2, 10541/3.6=1 QD1 LEU 6 - H GLU 119 lone 5 99 - 5 - 10552/4.6=1 HG13 ILE 18 - H GLU 119 lone 5 65 - 7 - 10541/3.6=2, 10552/4.6=2 QG2 VAL 78 - H GLU 119 lone 2 81 - 3 - QG2 ILE 56 - H GLU 119 lone 2 70 - 3 - Peak 10545 from nnoeabs.peaks (0.03, 7.92, 122.42 ppm; 5.42 A): 1 out of 1 assignment used, quality = 0.70: QG2 ILE 116 + H GLU 119 OK 70 84 - 83 - 3.2/2216=46, 4.3/2215=25...(14) Peak 10546 from nnoeabs.peaks (1.87, 7.92, 122.42 ppm; 3.55 A): 1 out of 12 assignments used, quality = 0.81: HB3 ARG 118 + H GLU 119 OK 81 100 - 81 - 4.2=60, 1.8/749=23...(6) HB2 ARG 105 - H GLU 119 lone 7 81 - 8 - 11415/10545=3, 3.0/749=2 HB2 LYS 16 - H GLU 119 lone 5 94 - 5 - HB3 LYS 16 - H GLU 119 lone 5 92 - 5 - HB2 LEU 63 - H GLU 119 lone 4 100 - 4 - 3.1/10544=1 HG2 ARG 95 - H GLU 119 lone 3 99 - 3 - QE MET 67 - H GLU 119 lone 2 94 - 2 - HG LEU 45 - H GLU 119 lone 2 90 - 2 - HB2 LYS 20 - H GLU 119 lone 1 61 - 2 - HB3 LYS 20 - H GLU 119 lone 1 61 - 2 - QE MET 42 - H GLU 119 lone 1 99 - 1 - HG LEU 127 - H GLU 119 lone 0 84 - 1 - Peak 10551 from nnoeabs.peaks (0.85, 8.83, 119.60 ppm; 5.01 A): 5 out of 9 assignments used, quality = 0.95: QG2 ILE 15 + H PHE 120 OK 50 100 - 50 - ~10556=8, 10984/3.0=7...(13) QG2 ILE 5 + H PHE 120 OK 48 99 - 49 - 9049/4.5=11, 9048/6.5=10...(9) QG2 VAL 22 + H PHE 120 OK 45 96 - 47 - 10870/4.0=26...(8) QG2 VAL 117 + H PHE 120 OK 41 61 - 67 - 3.2/2221=40, 4.3/2213=22...(7) HG13 ILE 5 + H PHE 120 OK 40 100 - 40 - 4707/4.5=10...(8) QG2 ILE 57 - H PHE 120 OK 17 98 - 18 - 11687/4.0=6, 10588/4.6=2...(6) HG13 ILE 57 - H PHE 120 lone 8 84 - 10 - 2.1/7586=2, 11242/4.5=2...(5) QG2 THR 9 - H PHE 120 lone 6 70 - 8 - 11097/4.0=2...(3) QD1 LEU 14 - H PHE 120 lone 5 84 - 6 - 10588/4.6=1, 11652/10553=1 Peak 10552 from nnoeabs.peaks (0.73, 8.83, 119.60 ppm; 5.38 A): 6 out of 12 assignments used, quality = 0.92: QG1 VAL 117 + H PHE 120 OK 72 97 - 74 - 3.2/2221=44, 4.3/2213=25...(7) HG13 ILE 18 + H PHE 120 OK 29 100 - 29 - 2.1/10553=9, 4708/4.5=6...(5) QG2 ILE 18 + H PHE 120 OK 28 92 - 31 - 9190/4.0=11, 2.9/10553=8...(5) QD1 LEU 6 + H PHE 120 OK 23 84 - 27 - 9069/6.5=9, 9068/8.2=8...(6) QD2 LEU 55 + H PHE 120 OK 16 96 - 17 - 9522/4.5=8, 10589/4.6=2...(4) QD2 LEU 6 + H PHE 120 OK 14 97 - 14 - ~10557=4, 10589/4.6=4...(5) QG2 VAL 78 - H PHE 120 lone 8 100 - 8 - 2.1/10553=2, 10589/4.6=1 QG2 ILE 7 - H PHE 120 poor 7 73 - 10 - 10569/4.5=3, 2.1/9089=2 QD2 LEU 45 - H PHE 120 lone 7 100 - 7 - 9448/6.5=2 QD1 LEU 63 - H PHE 120 lone 5 84 - 6 - 10589/4.6=1, 11049/3.6=1 QG2 ILE 54 - H PHE 120 lone 5 65 - 7 - 3.1/10553=2, 10589/4.6=1...(4) QD2 LEU 63 - H PHE 120 lone 4 61 - 7 - 11048/3.6=1, 10544/4.6=1 Peak 10553 from nnoeabs.peaks (0.62, 8.83, 119.60 ppm; 5.75 A): 6 out of 6 assignments used, quality = 0.94: QD1 ILE 5 + H PHE 120 OK 66 99 - 67 - 11352/4.0=17...(10) QD1 ILE 18 + H PHE 120 OK 52 98 - 53 - 9192/4.0=12...(9) HG13 ILE 15 + H PHE 120 OK 39 70 - 57 - ~10556=14, 3.2/10551=8...(12) QG1 VAL 22 + H PHE 120 OK 26 61 - 42 - 10566/4.0=8, 2.1/10551=8...(9) QG1 VAL 78 + H PHE 120 OK 13 99 - 13 - 10590/4.6=3, 10570/4.5=2...(6) QD1 ILE 54 + H PHE 120 OK 10 73 - 14 - 10590/4.6=2, 11352/4.0=2...(5) Peak 10554 from nnoeabs.peaks (0.04, 8.83, 119.60 ppm; 5.32 A): 1 out of 1 assignment used, quality = 0.88: QG2 ILE 116 + H PHE 120 OK 88 100 - 88 - 10464=30, 4710/4.5=30...(11) Peak 10587 from nnoeabs.peaks (1.50, 8.32, 116.60 ppm; 5.75 A): 4 out of 12 assignments used, quality = 0.78: QB ALA 124 + H MET 121 OK 62 100 - 62 - 8305/2.9=36, ~2241=16...(5) HB2 LEU 6 + H MET 121 OK 19 99 - 19 - 3.1/10589=7, 8304/2.9=5...(5) HB3 LEU 14 + H MET 121 OK 15 98 - 15 - 8304/2.9=5, 1.8/1799=3...(4) HG LEU 6 + H MET 121 OK 15 73 - 21 - 2.1/10589=8, 8304/2.9=4...(6) HB3 LEU 45 - H MET 121 lone 7 65 - 10 - 3.1/10589=2, 3.1/10589=2...(4) HG2 LYS 43 - H MET 121 lone 6 94 - 6 - 8304/2.9=1 HD3 LYS 17 - H MET 121 lone 4 84 - 5 - HG2 ARG 30 - H MET 121 lone 3 97 - 3 - HB3 ARG 30 - H MET 121 lone 3 92 - 3 - HG2 LYS 20 - H MET 121 lone 3 100 - 3 - HG LEU 38 - H MET 121 lone 2 70 - 3 - HB2 LYS 61 - H MET 121 lone 2 84 - 2 - Peak 10588 from nnoeabs.peaks (0.85, 8.32, 116.60 ppm; 6.04 A): 5 out of 9 assignments used, quality = 0.97: QG2 VAL 22 + H MET 121 OK 58 96 - 61 - 10870/4.6=30...(10) QG2 ILE 5 + H MET 121 OK 52 99 - 53 - 9049/4.6=14...(8) HG13 ILE 5 + H MET 121 OK 50 100 - 50 - 2.1/10590=15...(8) QG2 ILE 15 + H MET 121 OK 48 100 - 48 - 10984/3.6=9, 9049/4.6=7...(11) QG2 VAL 117 + H MET 121 OK 40 61 - 65 - 3.2/2227=45...(9) QG2 ILE 57 - H MET 121 OK 28 98 - 28 - 11687/4.6=8, 10600/6.0=5...(10) QD1 LEU 14 - H MET 121 OK 19 84 - 22 - 3.1/10587=4, ~8304=3...(7) HG13 ILE 57 - H MET 121 OK 17 84 - 20 - 10600/6.0=5, 11535/4.6=4...(8) QG2 THR 9 - H MET 121 poor 8 70 - 12 - 11097/4.6=2, 11097/763=1 Peak 10589 from nnoeabs.peaks (0.74, 8.32, 116.60 ppm; 5.05 A): 4 out of 9 assignments used, quality = 0.61: HG13 ILE 18 + H MET 121 OK 34 87 - 40 - 2.1/10590=12...(9) QD2 LEU 6 + H MET 121 OK 21 98 - 22 - 3.1/10587=4, 2.1/10587=3...(9) QD2 LEU 55 + H MET 121 OK 15 99 - 15 - 9522/4.6=7, 10565/4.6=1...(4) QG2 ILE 7 + H MET 121 OK 12 100 - 12 - 11195/2227=3...(3) QG2 ILE 54 - H MET 121 lone 8 99 - 8 - 3.1/10590=3, 10596/4.0=2 QD1 LEU 63 - H MET 121 lone 8 100 - 8 - 10596/4.0=2 QG2 VAL 78 - H MET 121 lone 6 73 - 9 - 2.1/10590=3 QD1 LEU 45 - H MET 121 lone 6 84 - 7 - 10596/4.0=1, 3.1/10587=1 QD2 LEU 45 - H MET 121 lone 5 73 - 7 - 3.1/10587=1 Peak 10590 from nnoeabs.peaks (0.62, 8.32, 116.60 ppm; 4.40 A): 6 out of 7 assignments used, quality = 0.90: QD1 ILE 5 + H MET 121 OK 54 100 - 54 - 11352/4.6=10, 4709/4.6=9...(14) QD1 ILE 18 + H MET 121 OK 48 92 - 52 - 10592/4.6=11...(13) QG1 VAL 22 + H MET 121 OK 28 77 - 36 - 10602/6.0=7, 10850/4.6=5...(10) HG13 ILE 15 + H MET 121 OK 26 84 - 31 - 3.9/763=4, 10566/4.6=4...(11) QG1 VAL 78 + H MET 121 OK 13 96 - 13 - 10592/4.6=2, 2.1/10589=2...(5) QD1 ILE 54 + H MET 121 OK 12 87 - 14 - 3.1/10589=2, 4709/4.6=1...(6) QD1 LEU 4 - H MET 121 lone 3 61 - 4 - Peak 10613 from nnoeabs.peaks (1.50, 8.40, 121.61 ppm; 4.88 A): 1 out of 11 assignments used, quality = 0.49: QB ALA 124 + H LYS 123 OK 49 96 - 51 - 2.9/784=35, 3.6/2245=17...(4) HG2 LYS 43 - H LYS 123 lone 5 70 - 7 - 3.0/1811=1, 3.0/1811=1 HB2 LEU 6 - H LYS 123 lone 5 87 - 5 - 3.1/11560=3, 10587/2235=1 HB3 LEU 45 - H LYS 123 lone 4 92 - 4 - HB3 LEU 14 - H LYS 123 lone 3 100 - 3 - HG2 LYS 20 - H LYS 123 lone 3 92 - 3 - HG3 LYS 73 - H LYS 123 lone 2 65 - 3 - HG3 ARG 118 - H LYS 123 lone 2 84 - 2 - HG2 ARG 30 - H LYS 123 lone 1 100 - 1 - HD2 LYS 53 - H LYS 123 lone 1 73 - 1 - HB3 ARG 30 - H LYS 123 lone 1 65 - 1 - Peak 10614 from nnoeabs.peaks (0.97, 8.60, 121.87 ppm; 5.16 A): 2 out of 5 assignments used, quality = 0.92: QD1 ILE 3 + H ALA 124 OK 91 100 - 92 - 10618/2.9=40...(13) QD1 LEU 38 + H ALA 124 OK 12 92 - 13 - 10618/2.9=3, 10998/4.6=3...(6) HD3 LYS 2 - H ALA 124 lone 8 87 - 8 - 10618/2.9=3, ~10617=2, ~10692=2 HG13 ILE 116 - H ALA 124 lone 4 100 - 4 - 10615/3.0=1, 10618/2.9=1 HG13 ILE 56 - H ALA 124 lone 2 81 - 3 - Peak 10622 from nnoeabs.peaks (7.00, 8.60, 121.87 ppm; 6.20 A): 2 out of 3 assignments used, quality = 0.96: HZ PHE 79 + H ALA 124 OK 94 98 - 96 - 2.2/10623=40...(11) QD TYR 102 + H ALA 124 OK 32 87 - 37 - 10628/2.9=10...(7) HE22 GLN 28 - H ALA 124 lone 2 70 - 2 - Peak 10623 from nnoeabs.peaks (7.11, 8.60, 121.87 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.92: QE PHE 79 + H ALA 124 OK 92 96 - 97 - 10629/2.9=43...(13) QD PHE 51 - H ALA 124 lone 1 61 - 2 - Peak 10635 from nnoeabs.peaks (4.15, 7.86, 116.08 ppm; 4.10 A): 1 out of 7 assignments used, quality = 0.58: HA ALA 124 + H SER 126 OK 58 94 - 62 - 3.6/1968=26, 8317=21...(7) HA GLU 89 - H SER 126 lone 6 98 - 6 - 8177/4.6=2, 2257/4.6=1 HA GLN 122 - H SER 126 lone 6 65 - 9 - 8308/4.6=6, 8307/2250=1 HA ARG 95 - H SER 126 lone 6 100 - 6 - 3.0/10639=2, 2257/4.6=2 HA LEU 70 - H SER 126 lone 3 96 - 3 - 2257/4.6=1 HA LEU 45 - H SER 126 lone 3 99 - 3 - HA LEU 63 - H SER 126 lone 1 61 - 2 - Peak 10636 from nnoeabs.peaks (4.45, 7.86, 116.08 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: HA SER 126 + H SER 126 OK 100 100 - 100 - 3.0=100 Peak 10639 from nnoeabs.peaks (1.91, 7.86, 116.08 ppm; 5.19 A): 3 out of 20 assignments used, quality = 0.58: HB2 GLU 128 + H SER 126 OK 31 99 - 31 - 4.0/2253=12, 8327/3.6=7...(7) HB3 LYS 123 + H SER 126 OK 31 96 - 32 - 4.4/2250=15, 2.9/8311=15...(4) HB2 ARG 95 + H SER 126 OK 12 94 - 13 - 3.0/10635=3, 8326/3.6=2...(5) HB ILE 71 - H SER 126 lone 8 92 - 8 - 10630/8317=2, 3.9/2250=2 HB2 LYS 96 - H SER 126 lone 5 99 - 5 - 8326/3.6=1 HB3 LYS 43 - H SER 126 lone 5 99 - 5 - 3.0/10640=1 HB2 LYS 43 - H SER 126 lone 5 100 - 5 - 3.0/10640=1 HB3 LYS 44 - H SER 126 lone 5 100 - 5 - HB2 LEU 45 - H SER 126 lone 5 100 - 5 - 3.0/10635=1 HB2 LYS 44 - H SER 126 lone 4 99 - 4 - HB2 LYS 73 - H SER 126 lone 4 90 - 4 - HB3 LYS 73 - H SER 126 lone 3 87 - 4 - HB2 LYS 49 - H SER 126 lone 3 97 - 3 - HB2 LYS 20 - H SER 126 lone 3 73 - 4 - HB3 LYS 20 - H SER 126 lone 3 73 - 4 - HB ILE 15 - H SER 126 lone 3 94 - 3 - HG2 MET 121 - H SER 126 lone 2 90 - 2 - HB2 LEU 81 - H SER 126 lone 2 84 - 2 - HB ILE 7 - H SER 126 lone 1 81 - 2 - HB3 LYS 17 - H SER 126 lone 1 73 - 2 - Peak 10640 from nnoeabs.peaks (1.51, 7.86, 116.08 ppm; 6.20 A): 1 out of 11 assignments used, quality = 0.87: QB ALA 124 + H SER 126 OK 87 99 - 88 - 3.6/1968=45, 2.1/8317=44...(6) HG LEU 38 - H SER 126 lone 6 87 - 7 - 9377/4.0=2, 9377/4.0=2 HG2 LYS 43 - H SER 126 lone 5 99 - 5 - 3.0/10639=2, 3.0/10639=2 HG2 LYS 20 - H SER 126 lone 4 100 - 4 - HD3 LYS 17 - H SER 126 lone 2 96 - 2 - HB2 LEU 6 - H SER 126 lone 2 100 - 2 - HB3 ARG 30 - H SER 126 lone 2 99 - 2 - HB2 LYS 61 - H SER 126 lone 2 96 - 2 - HG LEU 6 - H SER 126 lone 2 90 - 2 - HB3 LEU 14 - H SER 126 lone 2 90 - 2 - HG2 ARG 30 - H SER 126 lone 2 87 - 2 - Peak 10665 from nnoeabs.peaks (0.74, 9.08, 127.78 ppm; 4.14 A): 4 out of 10 assignments used, quality = 0.89: QG2 ILE 54 + H LEU 4 OK 64 96 - 67 - 3.2/11326=19, ~9486=16...(11) QG2 VAL 78 + H LEU 4 OK 57 84 - 68 - 3.2/9041=27, 4.1/9033=16...(10) QD2 LEU 55 + H LEU 4 OK 15 100 - 15 - 9527/4.6=4, 2.1/1034=4 QG2 ILE 7 + H LEU 4 OK 13 98 - 14 - 3.3/9087=3, 3.2/9041=3...(5) QD2 LEU 6 - H LEU 4 lone 7 100 - 7 - 10738/4.6=2, 4.8/9071=1 HG13 ILE 18 - H LEU 4 lone 6 94 - 7 - 11709/4.4=2, 10738/4.6=2...(4) QD1 LEU 63 - H LEU 4 lone 3 100 - 3 - QD2 LEU 45 - H LEU 4 lone 2 84 - 3 - QG1 VAL 117 - H LEU 4 lone 2 70 - 2 - QD1 LEU 45 - H LEU 4 lone 1 73 - 1 - Peak 10669 from nnoeabs.peaks (5.16, 9.23, 129.32 ppm; 5.97 A): 2 out of 2 assignments used, quality = 0.88: HA VAL 78 + H LEU 6 OK 74 100 - 74 - 3.6/9892=43, 3.2/9888=25...(10) HA ILE 7 + H LEU 6 OK 53 70 - 76 - ~23=36, ~7321=34...(11) Peak 10672 from nnoeabs.peaks (0.84, 8.93, 120.75 ppm; 4.23 A): 6 out of 9 assignments used, quality = 0.87: QG2 ILE 57 + H ILE 7 OK 47 99 - 48 - 3.0/9581=19, 3.2/9078=13...(8) QG2 ILE 5 + H ILE 7 OK 38 100 - 39 - 7317/4.7=21, 10941/5.3=7...(8) HG13 ILE 57 + H ILE 7 OK 36 77 - 46 - 2.1/9581=21, 4.2/9078=11...(10) HG13 ILE 5 + H ILE 7 OK 17 100 - 17 - 18/4.7=7, 10745/3.0=2...(5) QG2 THR 9 + H ILE 7 OK 13 61 - 21 - 9115/3.9=7, 11583/4.0=6...(5) QG2 ILE 15 + H ILE 7 OK 11 100 - 11 - 7317/4.7=2, 10745/3.0=1...(4) QD2 LEU 82 - H ILE 7 poor 9 61 - 15 - 3.9/9078=8, 9098/4.7=4 QG2 VAL 22 - H ILE 7 lone 5 92 - 6 - 11248/9530=1 QD1 LEU 14 - H ILE 7 lone 5 77 - 6 - 20/4.7=1 Peak 10677 from nnoeabs.peaks (0.70, 8.44, 120.43 ppm; 3.65 A): 3 out of 9 assignments used, quality = 0.67: QD1 ILE 57 + H VAL 32 OK 46 97 - 48 - 9573/3.6=14...(9) QG2 ILE 56 + H VAL 32 OK 30 98 - 31 - 9534=12, 4.4/11348=11...(5) QD2 LEU 63 + H VAL 32 OK 12 94 - 13 - 10791/3.9=7, 4.8/2082=2...(4) QD2 LEU 81 - H VAL 32 lone 7 98 - 7 - 10791/3.9=2...(3) QG2 ILE 18 - H VAL 32 lone 5 65 - 8 - 3.7/11348=5, 10789/3.6=2 QG2 ILE 97 - H VAL 32 lone 2 65 - 3 - QD1 LEU 55 - H VAL 32 lone 2 73 - 2 - QD1 LEU 6 - H VAL 32 lone 1 77 - 2 - QD1 ILE 116 - H VAL 32 lone 1 57 - 1 - Peak 10678 from nnoeabs.peaks (5.09, 8.81, 119.27 ppm; 5.06 A): 1 out of 1 assignment used, quality = 1.00: HG SER 58 + H SER 58 OK 100 100 - 100 - 4.9=100 Peak 10685 from nnoeabs.peaks (5.27, 8.71, 124.86 ppm; 3.18 A): 0 out of 2 assignments used, low quality = 0.41: ! HA LEU 81 - H ARG 105 OK 41 100 - 41 - 3.6/10247=14, 10686=12...(7) HA GLN 83 - H ARG 105 lone 4 92 - 4 - Peak 10687 from nnoeabs.peaks (4.57, 8.32, 122.86 ppm; 4.40 A): 2 out of 2 assignments used, quality = 0.46: * HA PHE 79 + H GLU 103 OK 31 100 - 31 - 10688=19, 11014/4.0=10 HA ASN 88 + H GLU 103 OK 22 94 - 23 - 10819/4.7=18, 11014/4.0=5 Peak 10691 from nnoeabs.peaks (4.74, 8.44, 122.15 ppm; 4.49 A): 1 out of 4 assignments used, quality = 0.46: * HA THR 9 + H GLN 83 OK 46 99 - 46 - 3.0/9997=25, 9991/4.0=17...(4) HA ASP 109 - H GLN 83 lone 4 98 - 4 - 9991/4.0=4 HA ARG 30 - H GLN 83 lone 1 99 - 1 - HA PHE 51 - H GLN 83 lone 1 81 - 1 - Peak 10724 from nnoeabs.peaks (8.78, 9.08, 127.78 ppm; 5.58 A): 1 out of 1 assignment used, quality = 0.87: H ILE 5 + H LEU 4 OK 87 87 - 100 - 4.6=100 Peak 10738 from nnoeabs.peaks (0.73, 8.77, 123.01 ppm; 4.72 A): 5 out of 11 assignments used, quality = 0.94: QD2 LEU 55 + H ILE 5 OK 64 99 - 65 - 4.0/9057=27, 2.1/14=14...(13) QG2 VAL 78 + H ILE 5 OK 51 98 - 52 - 9884/4.6=15...(8) QG2 ILE 54 + H ILE 5 OK 34 77 - 45 - 9490/3.6=13, 10665/4.6=9...(12) QD2 LEU 6 + H ILE 5 OK 30 99 - 30 - 1047/4.7=12...(7) HG13 ILE 18 + H ILE 5 OK 25 100 - 25 - 10779/4.0=5, 10779/4.6=4...(9) QD1 LEU 6 - H ILE 5 OK 20 73 - 27 - 11342/4.7=18...(4) QG2 ILE 7 - H ILE 5 OK 15 84 - 18 - 11582/5.0=5, 1047/4.7=4...(5) QG2 ILE 18 - H ILE 5 OK 13 84 - 16 - 2920/5.0=3, 10938/3.9=3...(4) QG1 VAL 117 - H ILE 5 OK 10 92 - 11 - 10510/4.6=4, 10938/3.9=4 QD1 LEU 63 - H ILE 5 lone 6 92 - 7 - 11559/9529=1 QD2 LEU 45 - H ILE 5 lone 4 98 - 4 - Peak 10746 from nnoeabs.peaks (9.06, 8.63, 125.54 ppm; 4.89 A): 1 out of 2 assignments used, quality = 0.65: H LEU 81 + H ASN 8 OK 65 100 - 65 - 11384=47, 9951/3.6=27...(4) H LEU 4 - H ASN 8 lone 7 73 - 9 - 9085/3.6=3, 10665/3.8=2...(4) Peak 10747 from nnoeabs.peaks (8.05, 6.25, 107.51 ppm; 5.13 A): 2 out of 8 assignments used, quality = 0.90: H THR 9 + HD22 ASN 8 OK 81 100 - 81 - 3.6/829=37, 41=34...(5) H LYS 65 + HD22 ASN 8 OK 47 96 - 50 - 41=16, 9093/1.7=13...(7) H LEU 90 - HD22 ASN 8 lone 4 100 - 4 - 9093/1.7=1 H GLN 122 - HD22 ASN 8 lone 3 96 - 3 - H VAL 22 - HD22 ASN 8 lone 2 94 - 2 - H ASP 109 - HD22 ASN 8 lone 2 92 - 2 - H HIS 131 - HD22 ASN 8 lone 1 84 - 2 - H ARG 118 - HD22 ASN 8 lone 1 57 - 2 - Peak 10748 from nnoeabs.peaks (7.86, 7.37, 107.51 ppm; 5.54 A): 1 out of 4 assignments used, quality = 0.79: H ASP 60 + HD21 ASN 8 OK 79 100 - 79 - 9634/1.7=42, 9635=35...(4) HE21 GLN 62 - HD21 ASN 8 lone 2 94 - 2 - 10749/1.7=1 H SER 126 - HD21 ASN 8 lone 2 99 - 2 - H TYR 27 - HD21 ASN 8 lone 2 90 - 2 - 10749/1.7=1 Peak 10749 from nnoeabs.peaks (7.85, 6.25, 107.51 ppm; 6.20 A): 1 out of 6 assignments used, quality = 0.80: H ASP 60 + HD22 ASN 8 OK 80 96 - 84 - 10748/1.7=41...(4) HE21 GLN 62 - HD22 ASN 8 lone 3 100 - 3 - 10748/1.7=1 H TYR 27 - HD22 ASN 8 lone 3 99 - 3 - 10748/1.7=1 H SER 126 - HD22 ASN 8 lone 3 87 - 3 - 10748/1.7=1 H ILE 97 - HD22 ASN 8 lone 1 65 - 2 - H VAL 78 - HD22 ASN 8 lone 1 61 - 2 - Peak 10752 from nnoeabs.peaks (3.74, 7.37, 107.51 ppm; 6.12 A): 1 out of 1 assignment used, quality = 0.59: HA ILE 71 + HD21 ASN 8 OK 59 98 - 61 - 10753/1.7=43...(7) Peak 10753 from nnoeabs.peaks (3.74, 6.25, 107.51 ppm; 5.97 A): 1 out of 1 assignment used, quality = 0.58: HA ILE 71 + HD22 ASN 8 OK 58 98 - 60 - 10752/1.7=40, ~9797=14...(5) Peak 10759 from nnoeabs.peaks (7.22, 7.33, 114.07 ppm; 4.19 A): 0 out of 6 assignments used, low quality = 0.00: HE21 GLN 83 - HD21 ASN 11 poor 9 73 - 12 - ~11191=5, 11191/3.5=5 HE21 GLN 83 - HD22 ASN 11 poor 9 73 - 12 - ~11191=5, 11191/3.5=5 HE22 GLN 83 - HD21 ASN 11 poor 8 70 - 12 - ~11191=6, 11191/3.5=5 HE22 GLN 83 - HD22 ASN 11 poor 8 69 - 12 - ~11191=6, 11191/3.5=5 QD PHE 93 - HD21 ASN 11 lone 1 99 - 1 - QD PHE 93 - HD22 ASN 11 lone 1 99 - 1 - Peak 10765 from nnoeabs.peaks (7.34, 7.58, 121.68 ppm; 4.59 A): 2 out of 2 assignments used, quality = 0.76: HD22 ASN 11 + H LEU 14 OK 52 92 - 57 - 3.5/9159=22, 3.5/9135=19...(6) HD21 ASN 11 + H LEU 14 OK 50 90 - 56 - 3.5/9159=22, 3.5/9135=19...(6) Peak 10766 from nnoeabs.peaks (0.77, 8.29, 119.33 ppm; 6.20 A): 2 out of 11 assignments used, quality = 0.90: QD1 ILE 15 + H GLU 13 OK 71 98 - 72 - 9174/3.6=38, 9172/4.5=26...(6) QD2 LEU 14 + H GLU 13 OK 65 97 - 67 - 4.3/62=44, 4.0/11313=28...(4) QD1 ILE 7 - H GLU 13 lone 7 100 - 7 - 9076/4.0=2, 9153/4.5=1 QG1 VAL 107 - H GLU 13 lone 6 97 - 6 - 9153/4.5=1, 1094/4.6=1 QD1 LEU 80 - H GLU 13 lone 4 99 - 4 - QG2 VAL 32 - H GLU 13 lone 4 97 - 4 - QD2 LEU 80 - H GLU 13 lone 4 98 - 4 - QD1 LEU 82 - H GLU 13 lone 4 96 - 4 - QD1 LEU 45 - H GLU 13 lone 3 73 - 4 - 1094/4.6=1 QD2 LEU 64 - H GLU 13 lone 2 84 - 2 - QD1 LEU 81 - H GLU 13 lone 1 61 - 2 - Peak 10774 from nnoeabs.peaks (6.86, 7.60, 117.60 ppm; 5.39 A): 2 out of 6 assignments used, quality = 0.61: QD TYR 76 + H LEU 74 OK 52 94 - 56 - 4.4/9827=17, 9817/4.8=15...(8) QD TYR 76 + H LYS 16 OK 18 98 - 18 - 4.4/9827=4, 4572/9790=2...(7) HD22 ASN 50 - H LEU 74 lone 3 68 - 4 - 5.7/11181=3 HD22 ASN 50 - H LYS 16 lone 3 73 - 3 - 5.7/11181=2 HE22 GLN 25 - H LYS 16 lone 2 81 - 3 - 4.4/11374=1 HE22 GLN 25 - H LEU 74 lone 2 75 - 3 - 4.4/11374=1 Peak 10777 from nnoeabs.peaks (1.40, 8.79, 120.96 ppm; 4.83 A): 3 out of 5 assignments used, quality = 0.93: HB3 LEU 114 + H ILE 18 OK 81 99 - 82 - 3.1/10434=27, ~10439=21...(13) QB ALA 113 + H ILE 18 OK 47 94 - 51 - 10421/5.0=17...(10) HG3 LYS 16 + H ILE 18 OK 30 99 - 31 - 7369/4.6=19, 5.0/1985=9...(5) HG3 LYS 106 - H ILE 18 lone 2 100 - 2 - HB3 GLN 83 - H ILE 18 lone 1 61 - 2 - Peak 10781 from nnoeabs.peaks (0.85, 8.53, 118.32 ppm; 4.12 A): 5 out of 11 assignments used, quality = 0.94: QG2 VAL 22 + H LYS 19 OK 67 100 - 67 - 10859/3.0=36, ~10856=12...(13) HG13 ILE 57 + H LYS 19 OK 42 97 - 43 - ~9560=11, 2.1/4530=11...(8) QG2 ILE 57 + H LYS 19 OK 41 87 - 47 - ~9560=10, 2.1/4502=10...(13) QG2 VAL 117 + H LYS 19 OK 28 84 - 33 - 10514/3.6=18, 2.1/105=5...(7) QG2 ILE 15 + H LYS 19 OK 26 99 - 27 - 3.2/7986=11, 9186/3.6=5...(7) QG2 ILE 5 - H LYS 19 OK 24 90 - 26 - 3.0/108=6, 9186/3.6=4...(10) HG13 ILE 5 - H LYS 19 OK 22 98 - 22 - 2.1/108=7, 9186/3.6=4...(7) QD1 LEU 14 - H LYS 19 OK 17 97 - 17 - 9185/4.6=3, 4.3/1997=3...(7) QG2 THR 9 - H LYS 19 OK 13 90 - 15 - 10975/4.5=3, 9117/3.7=3...(4) QG1 VAL 32 - H LYS 19 OK 10 77 - 13 - 4.0/11348=5, 2.1/1131=3...(4) QG2 VAL 107 - H LYS 19 poor 9 73 - 12 - 11460/4.0=5, 9198/3.0=3 Peak 10790 from nnoeabs.peaks (1.85, 8.44, 120.43 ppm; 4.46 A): 0 out of 9 assignments used, low quality = 0.14: HB3 LYS 19 - H VAL 32 OK 14 81 - 18 - 1.8/1205=7, 4.0/11348=7...(4) QE MET 121 - H VAL 32 lone 3 65 - 5 - 10601/10677=1, 9270/3.6=1 QE MET 42 - H VAL 32 lone 2 65 - 3 - 9431/4.0=2 HB2 ARG 105 - H VAL 32 lone 1 94 - 2 - HB3 LYS 77 - H VAL 32 lone 1 97 - 1 - HB2 LYS 77 - H VAL 32 lone 1 99 - 1 - HD2 LYS 123 - H VAL 32 lone 1 99 - 1 - HG LEU 70 - H VAL 32 lone 1 100 - 1 - HG LEU 127 - H VAL 32 lone 1 92 - 1 - Peak 10799 from nnoeabs.peaks (7.13, 8.34, 120.70 ppm; 4.79 A): 1 out of 1 assignment used, quality = 0.99: QD PHE 51 + H PHE 51 OK 99 99 - 100 - 4.6=100 Peak 10800 from nnoeabs.peaks (0.64, 7.96, 119.96 ppm; 5.49 A): 5 out of 6 assignments used, quality = 0.78: QD1 ILE 54 + H LYS 53 OK 46 100 - 47 - 4404/4.6=22...(7) QD1 ILE 5 + H LYS 53 OK 22 84 - 26 - 2.1/9464=8, 4404/4.6=6...(8) QD1 LEU 4 + H LYS 53 OK 22 99 - 22 - 1354/4.6=12, 9469/6.2=4...(5) HG13 ILE 15 + H LYS 53 OK 19 100 - 19 - 11351/4.7=9, 10801/4.7=7 QG1 VAL 22 + H LYS 53 OK 17 100 - 17 - 11351/4.7=5, 10801/4.7=4...(5) QD1 ILE 71 - H LYS 53 lone 4 70 - 5 - 11351/4.7=2, 10801/4.7=1 Peak 10802 from nnoeabs.peaks (1.81, 8.80, 124.73 ppm; 4.69 A): 4 out of 10 assignments used, quality = 0.81: HB ILE 3 + H ILE 54 OK 55 99 - 56 - 9003=22, 9001/3.6=17...(8) HG12 ILE 5 + H ILE 54 OK 29 99 - 30 - 2.1/4404=7, 9052/9481=7...(10) HG2 ARG 105 + H ILE 54 OK 22 98 - 23 - 3.0/7846=5, 3.0/7845=5...(7) HB3 ARG 105 + H ILE 54 OK 22 99 - 22 - 3.8/7846=4, 3.8/7845=4...(6) HB ILE 57 - H ILE 54 lone 9 87 - 10 - 2.9/7584=2, 3.2/7586=2...(4) QE MET 121 - H ILE 54 poor 7 61 - 12 - 10582/9481=4...(4) HB ILE 97 - H ILE 54 lone 6 100 - 6 - 2.1/11714=1, 2.9/319=1 HB ILE 18 - H ILE 54 lone 5 92 - 5 - HB2 LEU 14 - H ILE 54 lone 5 87 - 5 - 9165/4.8=2 HB2 ARG 118 - H ILE 54 lone 1 87 - 2 - Peak 10817 from nnoeabs.peaks (8.20, 7.20, 110.45 ppm; 5.32 A): 2 out of 8 assignments used, quality = 0.97: H ASP 84 + HE22 GLN 83 OK 84 100 - 84 - 528/3.5=35, 525/5.9=28...(14) H ASP 84 + HE21 GLN 83 OK 84 100 - 84 - 528/3.5=35, 525/5.9=28...(14) H GLU 111 - HE22 GLN 83 OK 23 94 - 24 - 3.6/10392=15, 7731/3.5=4...(5) H GLU 111 - HE21 GLN 83 OK 23 94 - 24 - 3.6/10392=15, 7731/3.5=4...(5) H LEU 38 - HE22 GLN 83 OK 12 100 - 12 - 7732/3.5=4, 7731/3.5=3 H LEU 38 - HE21 GLN 83 OK 12 100 - 12 - 7732/3.5=4, 7731/3.5=3 H GLU 89 - HE22 GLN 83 lone 4 70 - 6 - 11577/11576=2...(3) H GLU 89 - HE21 GLN 83 lone 4 69 - 6 - 11577/11576=2...(3) Peak 10825 from nnoeabs.peaks (0.38, 6.75, 110.23 ppm; 5.73 A): 0 out of 2 assignments used, low quality = 0.23: QD1 ILE 97 - HE22 GLN 100 OK 13 65 - 19 - 4.2/10165=14, 10126/3.5=4 QD2 LEU 68 - HE22 GLN 100 OK 11 100 - 12 - 11489/3.5=10 Peak 10887 from nnoeabs.peaks (2.96, 7.56, 112.87 ppm; 4.58 A): 2 out of 16 assignments used, quality = 0.88: HB2 ASN 24 + HE21 GLN 25 OK 65 100 - 65 - 10882=24, 1.8/10882=21...(7) HB3 ASN 24 + HE21 GLN 25 OK 65 100 - 65 - 10882=24, 1.8/10882=21...(7) HE2 LYS 20 - HE21 GLN 25 lone 2 100 - 2 - HE3 LYS 20 - HE21 GLN 25 lone 2 100 - 2 - HE3 LYS 40 - HE21 GLN 25 lone 2 100 - 2 - HE2 LYS 40 - HE21 GLN 25 lone 2 99 - 2 - HD3 ARG 118 - HE21 GLN 25 lone 1 97 - 1 - HE3 LYS 106 - HE21 GLN 25 lone 1 89 - 1 - HE2 LYS 106 - HE21 GLN 25 lone 1 87 - 1 - HE3 LYS 43 - HE21 GLN 25 lone 1 89 - 1 - HB3 PHE 51 - HE21 GLN 25 lone 1 100 - 1 - HE2 LYS 43 - HE21 GLN 25 lone 1 73 - 1 - HE3 LYS 73 - HE21 GLN 25 lone 1 84 - 1 - HE2 LYS 39 - HE21 GLN 25 lone 1 77 - 1 - HE3 LYS 39 - HE21 GLN 25 lone 1 69 - 1 - HE2 LYS 73 - HE21 GLN 25 lone 1 65 - 1 - Peak 10888 from nnoeabs.peaks (2.96, 6.88, 112.87 ppm; 5.00 A): 2 out of 14 assignments used, quality = 0.82: HB2 ASN 24 + HE22 GLN 25 OK 58 98 - 59 - 10882/1.7=22, ~10882=18...(5) HB3 ASN 24 + HE22 GLN 25 OK 58 98 - 59 - 10882/1.7=22, ~10882=18...(5) HE2 LYS 20 - HE22 GLN 25 lone 2 100 - 2 - HE3 LYS 20 - HE22 GLN 25 lone 2 100 - 2 - HE3 LYS 40 - HE22 GLN 25 lone 2 99 - 2 - HE2 LYS 40 - HE22 GLN 25 lone 2 97 - 2 - HE3 LYS 106 - HE22 GLN 25 lone 2 95 - 2 - HE2 LYS 106 - HE22 GLN 25 lone 2 94 - 2 - HB3 PHE 51 - HE22 GLN 25 lone 1 98 - 1 - HD3 ARG 118 - HE22 GLN 25 lone 1 92 - 1 - HE3 LYS 43 - HE22 GLN 25 lone 1 80 - 2 - HE3 LYS 73 - HE22 GLN 25 lone 1 73 - 1 - HE2 LYS 43 - HE22 GLN 25 lone 1 61 - 1 - HE2 LYS 39 - HE22 GLN 25 lone 1 65 - 1 - Peak 10986 from nnoeabs.peaks (0.74, 8.20, 119.58 ppm; 4.19 A): 3 out of 9 assignments used, quality = 0.75: QD1 LEU 63 + H LEU 38 OK 57 100 - 57 - 2.1/10957=20, ~9680=8...(15) QD2 LEU 6 + H LEU 38 OK 31 97 - 32 - 2.1/1236=6, 10743/3.0=4...(12) QG2 ILE 7 + H LEU 38 OK 16 100 - 16 - 11583/9282=3, 9375/3.0=2...(7) QG2 VAL 78 - H LEU 38 poor 8 70 - 12 - 9360/4.6=2, 4.0/1883=2...(6) QD1 LEU 45 - H LEU 38 lone 8 87 - 9 - 9375/3.0=2, 11526/3.8=1 QG2 ILE 54 - H LEU 38 lone 8 99 - 8 - 11708/4.4=2, 9375/3.0=1 QD2 LEU 55 - H LEU 38 lone 6 98 - 6 - 11136/3.8=1 QD2 LEU 45 - H LEU 38 lone 4 70 - 6 - ~9375=1 HG13 ILE 18 - H LEU 38 lone 2 84 - 3 - Peak 11011 from nnoeabs.peaks (1.84, 7.56, 112.87 ppm; 4.47 A): 1 out of 10 assignments used, quality = 0.77: QE MET 121 + HE21 GLN 25 OK 77 95 - 81 - 10579=44, 10580/1.7=34...(5) HB2 LEU 14 - HE21 GLN 25 lone 4 77 - 5 - 11012/1.7=2, 11448/3.5=1 HB3 LYS 19 - HE21 GLN 25 lone 4 99 - 4 - 11012/1.7=1 HB3 LYS 77 - HE21 GLN 25 lone 4 100 - 4 - 11012/1.7=1 HB ILE 18 - HE21 GLN 25 lone 4 69 - 5 - 11012/1.7=2, 11448/3.5=1 HB2 LYS 77 - HE21 GLN 25 lone 4 99 - 4 - 11012/1.7=1, ~11012=1 HB ILE 57 - HE21 GLN 25 lone 3 77 - 4 - 11012/1.7=1, 11448/3.5=1 HD2 LYS 123 - HE21 GLN 25 lone 2 99 - 2 - HG LEU 70 - HE21 GLN 25 lone 1 92 - 1 - HB2 ARG 105 - HE21 GLN 25 lone 1 61 - 1 - Peak 11012 from nnoeabs.peaks (1.83, 6.88, 112.87 ppm; 4.38 A): 1 out of 10 assignments used, quality = 0.82: QE MET 121 + HE22 GLN 25 OK 82 100 - 83 - 10580=42, 10579/1.7=40...(5) HB2 LEU 14 - HE22 GLN 25 lone 5 94 - 5 - 11011/1.7=1, 11448/3.5=1 HB ILE 18 - HE22 GLN 25 lone 4 89 - 5 - 11448/3.5=1, 11011/1.7=1 HB ILE 57 - HE22 GLN 25 lone 4 94 - 4 - 11011/1.7=1, 11448/3.5=1 HB3 LYS 19 - HE22 GLN 25 lone 4 100 - 4 - 11011/1.7=1 HB3 LYS 77 - HE22 GLN 25 lone 4 94 - 4 - 11011/1.7=1 HB2 LYS 77 - HE22 GLN 25 lone 3 89 - 4 - 11011/1.7=1, ~11011=1 HD2 LYS 123 - HE22 GLN 25 lone 2 89 - 3 - HB3 ARG 105 - HE22 GLN 25 lone 2 73 - 3 - HG LEU 70 - HE22 GLN 25 lone 1 73 - 1 - Peak 11110 from nnoeabs.peaks (7.68, 8.04, 109.03 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.70: H GLU 21 + H VAL 22 OK 70 70 - 100 - 4.6=100 Peak 11111 from nnoeabs.peaks (0.65, 8.04, 109.03 ppm; 5.30 A): 1 out of 1 assignment used, quality = 0.94: QG1 VAL 22 + H VAL 22 OK 94 94 - 100 - 4.0=100 Peak 11112 from nnoeabs.peaks (0.86, 8.04, 109.03 ppm; 6.17 A): 1 out of 1 assignment used, quality = 0.98: QG2 VAL 22 + H VAL 22 OK 98 98 - 100 - 4.0=100 Peak 11134 from nnoeabs.peaks (8.94, 8.32, 122.86 ppm; 5.15 A): 0 out of 1 assignment used, low quality = 0.00: H ILE 7 - H GLU 103 lone 1 97 - 1 - Peak 11140 from nnoeabs.peaks (0.89, 9.10, 130.09 ppm; 4.30 A): 2 out of 7 assignments used, quality = 0.48: QG2 VAL 29 + H LEU 55 OK 31 96 - 33 - 9502/3.9=13, 3.2/9506=8...(6) QG2 VAL 104 + H LEU 55 OK 24 99 - 24 - 9502/3.9=12...(4) QD2 LEU 90 - H LEU 55 lone 4 98 - 4 - 9502/3.9=1 QD2 LEU 38 - H LEU 55 lone 3 100 - 3 - QD1 LEU 90 - H LEU 55 lone 3 77 - 3 - QD2 LEU 70 - H LEU 55 lone 1 77 - 1 - QD1 LEU 70 - H LEU 55 lone 1 65 - 1 - Peak 11169 from nnoeabs.peaks (7.67, 7.67, 85.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE ARG 118 + HE ARG 118 OK 100 100 - 100 Peak 11170 from nnoeabs.peaks (6.82, 7.67, 85.30 ppm; 4.94 A): 1 out of 1 assignment used, quality = 0.52: HE22 GLN 122 + HE ARG 118 OK 52 90 - 58 - 10535/2.9=37...(3) Peak 11171 from nnoeabs.peaks (3.15, 7.67, 85.30 ppm; 4.51 A): 1 out of 1 assignment used, quality = 0.98: HD2 ARG 118 + HE ARG 118 OK 98 98 - 100 - 2.9=100 Peak 11172 from nnoeabs.peaks (2.97, 7.67, 85.30 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: HD3 ARG 118 + HE ARG 118 OK 100 100 - 100 - 2.9=100 Peak 11173 from nnoeabs.peaks (2.10, 7.67, 85.30 ppm; 6.20 A): 0 out of 18 assignments used, low quality = 0.39: HG3 GLU 21 - HE ARG 118 OK 16 100 - 16 - 3.0/3128=4, 3.0/3134=4...(4) HG2 GLU 21 - HE ARG 118 OK 16 99 - 16 - 3.0/3128=4, 3.0/3134=4...(4) HB2 GLU 21 - HE ARG 118 OK 14 81 - 18 - 1.8/3134=4, 3128=3...(5) HB3 GLU 119 - HE ARG 118 lone 3 87 - 4 - ~3657=2 HB3 GLU 66 - HE ARG 118 lone 3 94 - 3 - HB2 GLU 119 - HE ARG 118 lone 3 77 - 4 - ~3657=2 HB VAL 107 - HE ARG 118 lone 2 81 - 3 - HB2 LEU 38 - HE ARG 118 lone 2 87 - 3 - HB2 GLU 112 - HE ARG 118 lone 2 65 - 3 - HB3 GLU 69 - HE ARG 118 lone 2 84 - 2 - HG3 GLN 83 - HE ARG 118 lone 2 77 - 3 - HB2 GLU 87 - HE ARG 118 lone 2 96 - 2 - HB3 GLU 112 - HE ARG 118 lone 2 61 - 3 - HG2 GLU 52 - HE ARG 118 lone 2 100 - 2 - HB3 GLU 92 - HE ARG 118 lone 2 99 - 2 - HB2 GLU 111 - HE ARG 118 lone 2 100 - 2 - HB3 GLU 47 - HE ARG 118 lone 2 96 - 2 - HB2 GLU 103 - HE ARG 118 lone 2 77 - 2 - Peak 11174 from nnoeabs.peaks (1.86, 7.67, 85.30 ppm; 5.83 A): 1 out of 1 assignment used, quality = 0.87: HB3 ARG 118 + HE ARG 118 OK 87 87 - 100 - 5.1=100 Peak 11175 from nnoeabs.peaks (1.74, 7.67, 85.30 ppm; 5.24 A): 1 out of 1 assignment used, quality = 0.94: HG2 ARG 118 + HE ARG 118 OK 94 94 - 100 - 3.9=100 Peak 11176 from nnoeabs.peaks (1.49, 7.67, 85.30 ppm; 4.88 A): 1 out of 1 assignment used, quality = 1.00: HG3 ARG 118 + HE ARG 118 OK 100 100 - 100 - 3.9=100 Peak 11177 from nnoeabs.peaks (4.91, 8.53, 118.84 ppm; 4.78 A): 0 out of 3 assignments used, low quality = 0.00: HA ILE 57 - H ASN 88 lone 6 100 - 6 - 3.0/4502=2, 4.2/4516=1 HA LEU 82 - H ASN 88 lone 6 100 - 6 - 10673/4.6=3, 10673/548=1 HA ARG 105 - H ASN 88 lone 1 100 - 1 - Peak 11178 from nnoeabs.peaks (4.05, 7.62, 119.30 ppm; 5.92 A): 4 out of 20 assignments used, quality = 0.55: HA LYS 96 + H GLN 100 OK 29 73 - 39 - 8229/4.5=14, 8229/4.5=14...(4) HA GLU 69 + H GLN 100 OK 16 98 - 16 - 3.6/428=3, 4.0/1666=3...(6) HA SER 35 + H GLN 100 OK 15 100 - 15 - 3.0/11179=11 HA GLU 37 + H GLN 100 OK 12 92 - 13 - 2178/4.6=2, 3.6/11315=2...(4) HA GLU 69 - H LYS 115 poor 7 63 - 11 - 3.6/428=2, 4.0/5021=1 HA GLU 92 - H GLN 100 lone 5 70 - 8 - 3.0/634=2, 3.6/634=1, 3.0/1665=1 HA GLU 37 - H LYS 115 lone 5 56 - 8 - 2.9/9350=2, 3.6/11315=1 HA LYS 44 - H GLN 100 lone 5 87 - 5 - HA2 GLY 125 - H GLN 100 lone 4 100 - 4 - HA3 GLY 125 - H GLN 100 lone 3 81 - 3 - HA SER 35 - H LYS 115 lone 3 66 - 4 - HA LYS 44 - H LYS 115 lone 2 52 - 4 - HA LYS 96 - H LYS 115 lone 2 42 - 5 - HA GLU 87 - H GLN 100 lone 2 81 - 2 - HA2 GLY 125 - H LYS 115 lone 1 66 - 2 - HB3 SER 126 - H GLN 100 lone 1 61 - 2 - HA GLU 92 - H LYS 115 lone 1 39 - 3 - HA GLU 87 - H LYS 115 lone 1 47 - 3 - HA3 GLY 125 - H LYS 115 lone 1 47 - 2 - HB3 SER 126 - H LYS 115 lone 1 34 - 2 - Peak 11179 from nnoeabs.peaks (3.97, 7.62, 119.30 ppm; 3.75 A): 0 out of 8 assignments used, low quality = 0.14: HA MET 67 - H GLN 100 OK 14 61 - 23 - 10893/4.9=5, 11120/4.0=4...(9) HB3 SER 35 - H GLN 100 poor 9 65 - 13 - 10893/4.9=4, 10894/4.9=3...(5) HA GLU 21 - H GLN 100 lone 7 99 - 7 - 10893/4.9=3, 10894/4.9=2 HA GLU 21 - H LYS 115 lone 3 65 - 5 - 10440/4.9=4 HA LEU 14 - H LYS 115 lone 3 37 - 9 - 10440/4.9=2, 9163/4.3=1 HA MET 67 - H LYS 115 lone 2 34 - 6 - 3.6/1911=2 HA LEU 14 - H GLN 100 lone 1 65 - 1 - HB3 SER 35 - H LYS 115 lone 0 37 - 1 - Peak 11181 from nnoeabs.peaks (7.61, 8.72, 117.99 ppm; 6.20 A): 0 out of 9 assignments used, low quality = 0.00: H LYS 115 - H ASN 50 lone 9 94 - 9 - 6.0/11596=3, 6.0/11596=3 H LEU 74 - H ASN 50 lone 6 100 - 6 - 3.8/11667=2, 10774/5.7=1 HE21 GLN 85 - H ASN 50 lone 5 73 - 7 - ~10610=6 H LYS 16 - H ASN 50 lone 4 99 - 4 - H ASP 34 - H ASN 50 lone 3 96 - 3 - H GLU 69 - H ASN 50 lone 2 61 - 4 - HE ARG 105 - H ASN 50 lone 2 94 - 2 - H GLN 100 - H ASN 50 lone 2 77 - 2 - H LEU 64 - H ASN 50 lone 1 65 - 2 - Peak 11182 from nnoeabs.peaks (2.73, 8.43, 118.92 ppm; 6.20 A): 2 out of 6 assignments used, quality = 0.70: HB2 ASP 60 + H GLN 62 OK 67 100 - 67 - 4.3/366=44, 9627/4.6=25...(7) HG3 GLU 37 + H GLN 62 OK 11 98 - 11 - 9673/4.6=4, 9674/9663=2...(4) HB3 ASP 109 - H GLN 62 lone 5 99 - 5 - 9673/4.6=1 HE3 LYS 53 - H GLN 62 lone 4 70 - 6 - 9673/4.6=2, 3.0/371=1 HB3 ASN 11 - H GLN 62 lone 3 92 - 3 - HB3 TYR 102 - H GLN 62 lone 1 70 - 2 - Peak 11248 from nnoeabs.peaks (0.85, 9.18, 125.98 ppm; 4.49 A): 5 out of 11 assignments used, quality = 0.92: HG13 ILE 57 + H ILE 56 OK 52 98 - 53 - ~9575=15, 1374/4.6=11...(10) QG2 ILE 57 + H ILE 56 OK 45 84 - 53 - 9566/3.0=13, 1372/4.6=11...(11) QG2 VAL 22 + H ILE 56 OK 38 100 - 38 - 10874/4.6=21...(4) QG2 ILE 5 + H ILE 56 OK 34 87 - 39 - 9059/3.6=17, 4.0/9529=10...(6) HG13 ILE 5 + H ILE 56 OK 26 97 - 27 - 4.6/9529=9, 9503/4.6=6...(5) QG2 THR 9 - H ILE 56 lone 8 92 - 8 - 9117/4.6=2, 9503/4.6=1 QG2 VAL 107 - H ILE 56 lone 6 77 - 7 - 11417/4.9=2, 11417/4.0=1 QG2 ILE 15 - H ILE 56 lone 5 98 - 5 - 9059/3.6=1 QD1 LEU 14 - H ILE 56 lone 5 98 - 5 - QG2 VAL 117 - H ILE 56 lone 4 87 - 4 - QG1 VAL 32 - H ILE 56 lone 3 81 - 4 - 1374/4.6=2 Peak 11315 from nnoeabs.peaks (7.62, 8.20, 119.58 ppm; 4.31 A): 3 out of 11 assignments used, quality = 0.83: H ASP 34 + H LEU 38 OK 71 96 - 74 - 9325=22, 9327/4.6=21...(13) H LEU 64 + H LEU 38 OK 33 100 - 33 - 4.8/10957=14...(5) H GLU 69 + H LEU 38 OK 13 100 - 13 - 11001/4.4=3, 5.1/207=2...(6) H GLN 100 - H LEU 38 lone 7 100 - 7 - 11178/3.6=2 HE21 GLN 85 - H LEU 38 lone 6 100 - 6 - 11001/4.4=3, 4.4/208=1 H LYS 115 - H LEU 38 lone 5 97 - 5 - H LEU 74 - H LEU 38 lone 4 77 - 5 - 9357/4.7=2 H ALA 46 - H LEU 38 lone 3 84 - 4 - H LYS 16 - H LEU 38 lone 2 57 - 4 - HD21 ASN 50 - H LEU 38 lone 2 94 - 2 - HD21 ASN 10 - H LEU 38 lone 1 70 - 1 - Peak 11316 from nnoeabs.peaks (7.80, 8.78, 118.11 ppm; 5.04 A): 2 out of 3 assignments used, quality = 0.48: H LYS 40 + H MET 42 OK 42 61 - 69 - 4.6/238=31, 3.6/8056=28...(9) H GLU 66 + H MET 42 OK 11 99 - 11 - 2.9/2048=2, 4.9/1267=2...(4) H LYS 96 - H MET 42 lone 6 87 - 7 - 228/4.6=3, 8048/8054=1 Peak 11317 from nnoeabs.peaks (7.52, 8.16, 117.78 ppm; 5.55 A): 1 out of 3 assignments used, quality = 0.53: H LYS 43 + H LEU 45 OK 53 70 - 76 - 4.6/261=40, 3.6/2065=29...(12) HD21 ASN 59 - H LEU 45 lone 1 97 - 1 - HE21 GLN 28 - H LEU 45 lone 1 98 - 1 - Peak 11318 from nnoeabs.peaks (7.73, 8.16, 117.78 ppm; 6.05 A): 4 out of 5 assignments used, quality = 0.80: H GLU 47 + H LEU 45 OK 45 57 - 79 - 4.6/1890=33, 3.7/9453=28...(10) H LYS 73 + H LEU 45 OK 41 92 - 45 - 2127/3.6=10, 2126/3.0=8...(14) H GLU 48 + H LEU 45 OK 31 77 - 40 - 4.6/2073=24, 3.0/2065=11 H LEU 70 + H LEU 45 OK 10 73 - 14 - 4.6/1890=6, 428/4.6=2 H LEU 114 - H LEU 45 lone 3 92 - 3 - Peak 11322 from nnoeabs.peaks (4.25, 9.01, 122.45 ppm; 6.20 A): 3 out of 5 assignments used, quality = 0.90: HA VAL 32 + H GLU 37 OK 82 100 - 82 - 9292/3.8=34, 9291/3.8=33...(8) HA GLU 47 + H GLU 37 OK 35 100 - 35 - 9373/3.8=6, ~8093=5...(10) HA GLU 41 + H GLU 37 OK 10 81 - 13 - ~8047=5, ~2046=4, 4.2/1230=1 HA ALA 46 - H GLU 37 lone 7 100 - 6 - 9370/4.9=1, 9373/3.8=1 HA GLU 52 - H GLU 37 lone 2 94 - 3 - Peak 11327 from nnoeabs.peaks (1.45, 8.80, 124.73 ppm; 4.97 A): 3 out of 17 assignments used, quality = 0.94: HG LEU 4 + H ILE 54 OK 68 100 - 68 - 3.7/9485=35...(8) HB2 LEU 4 + H ILE 54 OK 58 84 - 69 - 3.0/9485=39...(8) HB3 LEU 4 + H ILE 54 OK 58 84 - 69 - 3.0/9485=39...(8) HG3 ARG 30 - H ILE 54 OK 13 100 - 13 - 11329/4.0=7, 11328/3.9=5 HG12 ILE 57 - H ILE 54 OK 11 92 - 12 - 7584=3, 2.1/7586=2...(5) HG12 ILE 7 - H ILE 54 OK 11 94 - 11 - 3.2/9088=4, 1.8/1352=3 HB3 LEU 6 - H ILE 54 lone 4 96 - 4 - 11329/4.0=1 HG2 LYS 106 - H ILE 54 lone 2 92 - 3 - HB3 LEU 38 - H ILE 54 lone 2 90 - 2 - HG LEU 80 - H ILE 54 lone 2 94 - 2 - HG2 LYS 96 - H ILE 54 lone 2 92 - 2 - HG2 LYS 39 - H ILE 54 lone 1 97 - 2 - HB3 LYS 61 - H ILE 54 lone 1 65 - 2 - HG3 LYS 44 - H ILE 54 lone 1 87 - 1 - HG2 LYS 49 - H ILE 54 lone 1 96 - 1 - HG3 LYS 49 - H ILE 54 lone 1 96 - 1 - HB2 LEU 74 - H ILE 54 lone 1 73 - 1 - Peak 11332 from nnoeabs.peaks (7.60, 7.60, 82.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE ARG 105 + HE ARG 105 OK 100 100 - 100 Peak 11333 from nnoeabs.peaks (4.92, 7.60, 82.39 ppm; 5.01 A): 1 out of 3 assignments used, quality = 0.80: HA ARG 105 + HE ARG 105 OK 80 100 - 80 - 6.5=45, 6396/2.9=42, 6430/2.9=35 HA ILE 57 - HE ARG 105 lone 8 99 - 8 - 6430/2.9=4, 6438/2.9=4 HA LEU 82 - HE ARG 105 lone 8 99 - 8 - 6438/2.9=4, 6430/2.9=4 Peak 11334 from nnoeabs.peaks (3.51, 7.60, 82.39 ppm; 5.04 A): 1 out of 1 assignment used, quality = 0.98: HD2 ARG 105 + HE ARG 105 OK 98 98 - 100 - 2.9=100 Peak 11335 from nnoeabs.peaks (3.32, 7.60, 82.39 ppm; 4.76 A): 1 out of 1 assignment used, quality = 0.65: HD3 ARG 105 + HE ARG 105 OK 65 65 - 100 - 2.9=100 Peak 11336 from nnoeabs.peaks (1.83, 7.60, 82.39 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.65: HB3 ARG 105 + HE ARG 105 OK 65 65 - 100 - 4.9=100 Peak 11337 from nnoeabs.peaks (1.76, 7.60, 82.39 ppm; 6.14 A): 1 out of 1 assignment used, quality = 0.97: HG3 ARG 105 + HE ARG 105 OK 97 97 - 100 - 3.8=100 Peak 11344 from nnoeabs.peaks (1.68, 8.93, 120.75 ppm; 5.07 A): 2 out of 18 assignments used, quality = 0.60: HB ILE 56 + H ILE 7 OK 54 87 - 62 - 4.0/9530=32, 9536/3.6=28...(4) HB ILE 54 + H ILE 7 OK 13 99 - 13 - 10950/3.6=4, 1364/9530=3...(4) HD2 LYS 17 - H ILE 7 lone 7 99 - 7 - 10950/3.6=1, 1.8/24=1 HD3 LYS 20 - H ILE 7 lone 7 92 - 7 - 10950/3.6=2, 3.0/24=1...(4) HD2 LYS 20 - H ILE 7 lone 7 90 - 7 - 10950/3.6=1, 3.0/24=1...(4) HD2 LYS 43 - H ILE 7 lone 6 100 - 6 - 10950/3.6=1, 2.9/24=1 HD3 LYS 43 - H ILE 7 lone 5 97 - 6 - 10950/3.6=1, 2.9/24=1 HD3 LYS 73 - H ILE 7 lone 3 97 - 4 - HD2 LYS 73 - H ILE 7 lone 3 96 - 4 - HD2 LYS 96 - H ILE 7 lone 3 99 - 3 - HD3 LYS 96 - H ILE 7 lone 3 98 - 3 - HG3 ARG 95 - H ILE 7 lone 3 100 - 3 - HD2 LYS 16 - H ILE 7 lone 2 94 - 2 - HD3 LYS 16 - H ILE 7 lone 2 87 - 2 - HG12 ILE 71 - H ILE 7 lone 2 70 - 2 - HD3 LYS 40 - H ILE 7 lone 2 99 - 2 - HD2 LYS 40 - H ILE 7 lone 2 99 - 2 - HD3 LYS 115 - H ILE 7 lone 1 70 - 1 - Peak 11346 from nnoeabs.peaks (4.06, 7.84, 119.08 ppm; 4.74 A): 0 out of 8 assignments used, low quality = 0.00: HA LYS 96 - H TYR 27 poor 9 94 - 10 - 3.0/7797=2, 7795=2...(6) HA LYS 44 - H TYR 27 lone 4 99 - 4 - HA GLU 37 - H TYR 27 lone 4 100 - 4 - HA SER 35 - H TYR 27 lone 3 92 - 3 - HA GLU 69 - H TYR 27 lone 2 100 - 2 - HA2 GLY 125 - H TYR 27 lone 2 99 - 2 - HA3 GLY 125 - H TYR 27 lone 1 97 - 2 - HA GLU 91 - H TYR 27 lone 1 70 - 1 - Peak 11348 from nnoeabs.peaks (8.54, 8.44, 120.43 ppm; 4.27 A): 2 out of 4 assignments used, quality = 0.79: H ILE 57 + H VAL 32 OK 72 100 - 72 - 9570/3.6=32, 9576=30...(8) H LYS 19 + H VAL 32 OK 25 90 - 28 - 4.0/10790=13...(7) H VAL 107 - H VAL 32 lone 7 87 - 7 - 1713/4.0=1, 1714/4.0=1 H ASN 88 - H VAL 32 lone 1 73 - 2 - Peak 11361 from nnoeabs.peaks (9.15, 8.54, 127.24 ppm; 4.34 A): 1 out of 1 assignment used, quality = 0.51: H ARG 30 + H ILE 57 OK 51 77 - 66 - 10680/3.6=27, 9250=20...(8) Peak 11374 from nnoeabs.peaks (2.02, 7.61, 117.57 ppm; 4.00 A): 0 out of 24 assignments used, low quality = 0.00: HB3 GLU 111 - H LYS 16 lone 4 97 - 4 - 4.6/75=2, 7871/4.6=1 HB3 GLU 111 - H LEU 74 lone 4 100 - 4 - HB2 GLU 66 - H LYS 16 lone 1 64 - 2 - HG3 GLU 128 - H LYS 16 lone 1 89 - 1 - HG2 GLU 128 - H LYS 16 lone 1 89 - 1 - HG2 GLU 128 - H LEU 74 lone 1 94 - 1 - HG3 GLU 128 - H LEU 74 lone 1 94 - 1 - HB2 GLU 66 - H LEU 74 lone 1 70 - 1 - HB2 GLN 25 - H LEU 74 lone 1 100 - 1 - HB2 GLN 25 - H LYS 16 lone 1 97 - 1 - HB2 GLU 89 - H LYS 16 lone 1 64 - 1 - HB3 GLU 89 - H LYS 16 lone 1 64 - 1 - HB3 GLU 87 - H LYS 16 lone 1 64 - 1 - HB3 GLU 89 - H LEU 74 lone 1 70 - 1 - HB2 GLU 89 - H LEU 74 lone 1 70 - 1 - HB3 GLU 87 - H LEU 74 lone 1 70 - 1 - HB2 MET 1 - H LEU 74 lone 0 97 - 1 - HB2 MET 1 - H LYS 16 lone 0 92 - 1 - HB3 GLN 85 - H LEU 74 lone 0 70 - 1 - HB3 GLN 85 - H LYS 16 lone 0 64 - 1 - HB2 GLU 48 - H LEU 74 lone 0 70 - 1 - HB3 GLU 48 - H LEU 74 lone 0 70 - 1 - HB2 GLU 48 - H LYS 16 lone 0 64 - 1 - HB3 GLU 48 - H LYS 16 lone 0 64 - 1 - Peak 11384 from nnoeabs.peaks (8.63, 9.06, 126.69 ppm; 4.43 A): 1 out of 4 assignments used, quality = 0.53: H ASN 8 + H LEU 81 OK 53 100 - 53 - 10746=33, 3.6/9951=23...(4) H GLN 85 - H LEU 81 lone 1 81 - 2 - H GLU 87 - H LEU 81 lone 1 90 - 1 - H VAL 104 - H LEU 81 lone 0 57 - 1 - Peak 11387 from nnoeabs.peaks (1.46, 9.06, 126.69 ppm; 3.99 A): 6 out of 14 assignments used, quality = 0.93: HG12 ILE 7 + H LEU 81 OK 56 100 - 57 - 2.1/9087=23, 3.8/9951=18...(8) HB3 LEU 6 + H LEU 81 OK 50 100 - 51 - 3.9/9941=19...(12) HG LEU 80 + H LEU 81 OK 46 61 - 76 - 2.1/7715=35, 3.0/506=28...(10) HG12 ILE 57 + H LEU 81 OK 25 100 - 25 - 11389/4.8=6, 11388/4.8=6...(6) HG2 LYS 39 + H LEU 81 OK 11 100 - 11 - 11039/5.0=3, 11039/5.0=2 HG2 LYS 106 + H LEU 81 OK 11 100 - 11 - 11388/4.8=4, 11389/4.8=1...(4) HB3 LEU 38 - H LEU 81 lone 8 100 - 8 - 11389/4.8=2, 11388/4.8=1 HG LEU 4 - H LEU 81 lone 5 94 - 5 - HG3 LYS 49 - H LEU 81 lone 3 100 - 3 - HG2 LYS 49 - H LEU 81 lone 3 100 - 3 - HG3 ARG 30 - H LEU 81 lone 2 96 - 2 - HB2 LEU 74 - H LEU 81 lone 1 98 - 1 - HG3 LYS 20 - H LEU 81 lone 1 73 - 1 - HG3 LYS 73 - H LEU 81 lone 1 65 - 1 - Peak 11403 from nnoeabs.peaks (8.59, 8.21, 124.45 ppm; 5.02 A): 1 out of 7 assignments used, quality = 0.59: H THR 108 + H ASP 84 OK 59 92 - 65 - 2.9/10023=37...(7) H LYS 49 - H ASP 84 lone 6 84 - 7 - 6.2/10022=3, 6.2/10022=3 H LYS 94 - H ASP 84 lone 6 87 - 7 - 10099/11577=1 H LEU 80 - H ASP 84 lone 4 97 - 4 - 4.7/10021=1, 4.7/10021=1 H ASP 12 - H ASP 84 lone 2 96 - 2 - H ILE 71 - H ASP 84 lone 2 99 - 2 - H ALA 124 - H ASP 84 lone 2 97 - 2 - Peak 11408 from nnoeabs.peaks (4.51, 8.69, 120.51 ppm; 4.61 A): 1 out of 4 assignments used, quality = 0.51: HA ASP 84 + H ASP 86 OK 51 99 - 51 - 3.6/536=32, 3.0/11298=15...(4) HA GLU 103 - H ASP 86 lone 6 100 - 6 - 7831/4.7=1...(3) HA GLN 28 - H ASP 86 lone 3 96 - 3 - HA ASP 36 - H ASP 86 lone 1 87 - 2 - Peak 11418 from nnoeabs.peaks (8.84, 8.55, 118.79 ppm; 4.45 A): 0 out of 1 assignment used, low quality = 0.13: H PHE 120 - H VAL 107 OK 13 90 - 15 - 11579/11578=7...(4) Peak 11451 from nnoeabs.peaks (2.90, 9.01, 122.45 ppm; 6.20 A): 2 out of 13 assignments used, quality = 0.96: HB2 ASP 34 + H GLU 37 OK 91 97 - 94 - 3.0/11684=49, 11683=48...(8) HB2 ASN 33 + H GLU 37 OK 52 96 - 54 - 4.6/9327=42...(6) HB3 ASN 88 - H GLU 37 lone 10 100 - 10 - 4.2/1882=2, 11229/4.9=2...(4) HE3 LYS 16 - H GLU 37 lone 4 96 - 4 - HE2 LYS 16 - H GLU 37 lone 4 96 - 4 - HE3 LYS 115 - H GLU 37 lone 4 97 - 4 - HE2 LYS 115 - H GLU 37 lone 4 97 - 4 - HE3 LYS 17 - H GLU 37 lone 3 100 - 3 - HB2 ASN 10 - H GLU 37 lone 3 99 - 3 - HB2 ASN 8 - H GLU 37 lone 3 90 - 3 - HE2 LYS 65 - H GLU 37 lone 3 81 - 3 - HE3 LYS 65 - H GLU 37 lone 3 81 - 3 - HE3 LYS 94 - H GLU 37 lone 2 77 - 2 - Peak 11505 from nnoeabs.peaks (0.86, 8.20, 119.58 ppm; 3.38 A): 2 out of 10 assignments used, quality = 0.73: QG1 VAL 32 + H LEU 38 OK 70 100 - 70 - 9282=24, 9288/3.0=20...(13) QG2 VAL 107 + H LEU 38 OK 11 99 - 11 - 11003/3.0=2, 2.1/1234=2...(5) QD1 LEU 14 - H LEU 38 lone 10 99 - 10 - 11003/3.0=2, 9365/4.7=2...(4) QD2 LEU 90 - H LEU 38 poor 7 65 - 11 - 2.1/11577=4, 10976=3 QG2 VAL 117 - H LEU 38 lone 4 100 - 4 - 11003/3.0=1, 11525/3.8=1 HG13 ILE 57 - H LEU 38 lone 4 99 - 4 - QG2 THR 9 - H LEU 38 lone 4 100 - 4 - QG2 VAL 22 - H LEU 38 lone 2 92 - 2 - QG2 ILE 15 - H LEU 38 lone 2 70 - 3 - HG13 ILE 5 - H LEU 38 lone 1 65 - 2 - Peak 11539 from nnoeabs.peaks (3.96, 7.69, 112.83 ppm; 6.20 A): 0 out of 3 assignments used, low quality = 0.35: HA GLU 21 - HD21 ASN 24 OK 35 100 - 35 - 11324/3.5=19, 11324/3.5=19 HB3 SER 35 - HD21 ASN 24 lone 6 73 - 8 - 8025/3.5=3, 8023/3.5=3 HA MET 67 - HD21 ASN 24 lone 5 70 - 7 - 8025/3.5=3, 8025/3.5=3 Peak 11666 from nnoeabs.peaks (2.06, 7.56, 112.87 ppm; 6.20 A): 0 out of 20 assignments used, low quality = 0.19: HB3 GLU 98 - HE21 GLN 25 OK 19 99 - 19 - ~11168=13, 6219/3.5=3 HB2 GLU 13 - HE21 GLN 25 lone 8 97 - 8 - 3.0/7351=1, 7349=1...(4) HB3 MET 67 - HE21 GLN 25 lone 4 95 - 4 - 10886/10882=1, 10886/10882=1 HB VAL 117 - HE21 GLN 25 lone 3 92 - 4 - HB2 GLU 92 - HE21 GLN 25 lone 3 99 - 3 - HB2 GLU 47 - HE21 GLN 25 lone 2 100 - 2 - HB3 GLN 100 - HE21 GLN 25 lone 2 94 - 2 - HB2 GLN 28 - HE21 GLN 25 lone 2 99 - 2 - HB3 GLU 89 - HE21 GLN 25 lone 2 69 - 3 - HB2 GLU 89 - HE21 GLN 25 lone 2 69 - 3 - HB2 GLU 66 - HE21 GLN 25 lone 2 69 - 3 - HB3 GLU 91 - HE21 GLN 25 lone 2 87 - 2 - HB3 GLN 85 - HE21 GLN 25 lone 2 69 - 3 - HB2 LYS 94 - HE21 GLN 25 lone 2 84 - 2 - HG3 GLU 52 - HE21 GLN 25 lone 2 84 - 2 - HB3 GLU 48 - HE21 GLN 25 lone 2 69 - 2 - HB2 GLU 48 - HE21 GLN 25 lone 2 69 - 2 - HB3 PHE 79 - HE21 GLN 25 lone 2 65 - 2 - HB3 GLU 87 - HE21 GLN 25 lone 1 69 - 2 - HG2 GLU 119 - HE21 GLN 25 lone 1 61 - 2 - Peak 11667 from nnoeabs.peaks (1.47, 8.72, 117.99 ppm; 6.20 A): 2 out of 14 assignments used, quality = 0.66: HG2 LYS 49 + H ASN 50 OK 42 73 - 57 - 1.8/7541=20, 4103/3.6=17...(5) HG3 LYS 49 + H ASN 50 OK 42 73 - 57 - 1.8/7541=20, 4103/3.6=17...(5) HB2 LEU 74 - H ASN 50 lone 7 96 - 8 - 3.8/11181=6 HB3 LEU 38 - H ASN 50 lone 4 84 - 4 - 2.9/8049=2 HG3 LYS 73 - H ASN 50 lone 3 99 - 3 - HG2 LYS 39 - H ASN 50 lone 3 70 - 4 - 3.8/8055=2 HG3 LYS 20 - H ASN 50 lone 2 100 - 2 - HB3 LEU 6 - H ASN 50 lone 2 73 - 3 - HD2 LYS 53 - H ASN 50 lone 2 98 - 2 - HG12 ILE 7 - H ASN 50 lone 2 77 - 2 - HG3 ARG 118 - H ASN 50 lone 2 94 - 2 - HB3 LEU 45 - H ASN 50 lone 2 87 - 2 - HG2 LYS 106 - H ASN 50 lone 2 81 - 2 - HG12 ILE 57 - H ASN 50 lone 2 81 - 2 - Peak 11668 from nnoeabs.peaks (7.08, 8.04, 118.31 ppm; 5.43 A): 2 out of 6 assignments used, quality = 0.76: HZ PHE 93 + H LYS 65 OK 61 100 - 61 - 9690/4.2=19, 4683/5.0=14...(10) QE PHE 79 + H LYS 65 OK 39 81 - 48 - 11054/3.0=14...(9) HZ PHE 93 - H THR 9 lone 4 79 - 5 - 9982/396=1 HZ PHE 93 - H ARG 118 lone 4 68 - 5 - 9656/8101=1 QE PHE 79 - H ARG 118 lone 2 48 - 4 - QE PHE 79 - H THR 9 lone 2 56 - 3 - Peak 11704 from nnoeabs.peaks (1.38, 7.20, 110.45 ppm; 5.16 A): 2 out of 16 assignments used, quality = 0.71: HG LEU 14 + HE21 GLN 83 OK 46 99 - 47 - 2.1/11005=20, ~11005=19...(5) HG LEU 14 + HE22 GLN 83 OK 46 99 - 47 - 2.1/11005=20, ~11005=18...(5) HG3 LYS 43 - HE21 GLN 83 lone 5 84 - 6 - 2.9/11703=2, 2.9/11703=1 HG3 LYS 43 - HE22 GLN 83 lone 5 84 - 6 - 2.9/11703=2, ~11703=2 HG3 LYS 106 - HE22 GLN 83 lone 3 61 - 5 - 10898/10313=2 HG3 LYS 106 - HE21 GLN 83 lone 3 61 - 5 - 10898/10313=2 HB3 LEU 114 - HE22 GLN 83 lone 2 80 - 2 - HB3 LEU 114 - HE21 GLN 83 lone 2 81 - 2 - HG2 LYS 40 - HE21 GLN 83 lone 1 99 - 1 - HG2 LYS 40 - HE22 GLN 83 lone 1 99 - 1 - HB3 LEU 68 - HE22 GLN 83 lone 1 100 - 1 - HB3 LEU 68 - HE21 GLN 83 lone 1 100 - 1 - HG3 LYS 16 - HE21 GLN 83 lone 1 84 - 1 - HG3 LYS 16 - HE22 GLN 83 lone 1 84 - 1 - HG2 LYS 94 - HE21 GLN 83 lone 1 81 - 1 - HG2 LYS 94 - HE22 GLN 83 lone 1 80 - 1 - Peak 11714 from nnoeabs.peaks (0.68, 8.80, 124.73 ppm; 4.32 A): 2 out of 7 assignments used, quality = 0.79: QD2 LEU 4 + H ILE 54 OK 67 100 - 67 - 3.8/9485=26, 2.1/1354=13...(11) QD1 LEU 55 + H ILE 54 OK 37 99 - 38 - 11358=13, 1360/4.4=12...(6) QG2 ILE 56 - H ILE 54 lone 7 77 - 9 - 1360/4.4=6, 2.1/1350=2 QD1 ILE 56 - H ILE 54 lone 6 65 - 8 - 11707/4.0=6, 3.2/1350=2 QG2 ILE 97 - H ILE 54 lone 5 100 - 4 - 2.1/10802=1, 3.2/319=1 QD1 ILE 116 - H ILE 54 lone 4 100 - 4 - QD2 LEU 114 - H ILE 54 lone 2 94 - 2 - Peak 11715 from nnoeabs.peaks (2.37, 9.10, 130.09 ppm; 6.20 A): 2 out of 5 assignments used, quality = 0.87: HB3 TYR 27 + H LEU 55 OK 85 98 - 86 - 4.2/9230=40, 11717=34...(8) HG2 GLU 13 + H LEU 55 OK 16 99 - 16 - 11216/4.4=7, 10945/3.9=4 HG2 GLU 98 - H LEU 55 lone 6 90 - 7 - 10944/3.9=2, 10945/3.9=2 HG3 GLN 100 - H LEU 55 lone 3 77 - 4 - HG2 GLN 25 - H LEU 55 lone 2 70 - 3 - Peak 2324 from cnoeabs.peaks (4.83, 4.83, 59.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 3 + HA ILE 3 OK 100 100 - 100 Peak 2326 from cnoeabs.peaks (1.08, 4.83, 59.56 ppm; 4.67 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 3 + HA ILE 3 OK 100 100 - 100 - 3.2=100 Peak 2329 from cnoeabs.peaks (0.97, 4.83, 59.56 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 3 + HA ILE 3 OK 100 100 - 100 - 4.2=100 Peak 2330 from cnoeabs.peaks (4.83, 1.81, 40.51 ppm; 4.91 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 3 + HB ILE 3 OK 100 100 - 100 - 3.0=100 Peak 2331 from cnoeabs.peaks (1.81, 1.81, 40.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 3 + HB ILE 3 OK 100 100 - 100 Peak 2332 from cnoeabs.peaks (1.08, 1.81, 40.51 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 3 + HB ILE 3 OK 100 100 - 100 - 2.1=100 Peak 2333 from cnoeabs.peaks (1.56, 1.81, 40.51 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 3 + HB ILE 3 OK 100 100 - 100 - 2.9=100 Peak 2334 from cnoeabs.peaks (1.22, 1.81, 40.51 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 3 + HB ILE 3 OK 100 100 - 100 - 2.9=100 Peak 2335 from cnoeabs.peaks (0.97, 1.81, 40.51 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 3 + HB ILE 3 OK 100 100 - 100 - 3.2=100 Peak 2336 from cnoeabs.peaks (4.83, 1.08, 17.85 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 3 + QG2 ILE 3 OK 100 100 - 100 - 3.2=100 Peak 2337 from cnoeabs.peaks (1.81, 1.08, 17.85 ppm; 3.25 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 3 + QG2 ILE 3 OK 100 100 - 100 - 2.1=100 Peak 2338 from cnoeabs.peaks (1.08, 1.08, 17.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 3 + QG2 ILE 3 OK 100 100 - 100 Peak 2339 from cnoeabs.peaks (1.56, 1.08, 17.85 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 3 + QG2 ILE 3 OK 100 100 - 100 - 3.2=100 Peak 2340 from cnoeabs.peaks (1.22, 1.08, 17.85 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 3 + QG2 ILE 3 OK 100 100 - 100 - 3.2=100 Peak 2341 from cnoeabs.peaks (0.97, 1.08, 17.85 ppm; 3.19 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 3 + QG2 ILE 3 OK 100 100 - 100 - 3.0=100 Peak 2342 from cnoeabs.peaks (4.83, 1.56, 27.38 ppm; 4.81 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 3 + HG12 ILE 3 OK 100 100 - 100 - 3.8=100 Peak 2343 from cnoeabs.peaks (1.81, 1.56, 27.38 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 3 + HG12 ILE 3 OK 100 100 - 100 - 2.9=100 Peak 2344 from cnoeabs.peaks (1.08, 1.56, 27.38 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 3 + HG12 ILE 3 OK 100 100 - 100 - 3.2=100 Peak 2345 from cnoeabs.peaks (1.56, 1.56, 27.38 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG12 ILE 3 + HG12 ILE 3 OK 100 100 - 100 HG LEU 55 + HG LEU 55 OK 95 95 - 100 Peak 2346 from cnoeabs.peaks (1.22, 1.56, 27.38 ppm; 3.05 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 3 + HG12 ILE 3 OK 100 100 - 100 - 1.8=100 Peak 2347 from cnoeabs.peaks (0.97, 1.56, 27.38 ppm; 3.41 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 3 + HG12 ILE 3 OK 100 100 - 100 - 2.1=100 Peak 2348 from cnoeabs.peaks (4.83, 1.22, 27.38 ppm; 4.77 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 3 + HG13 ILE 3 OK 100 100 - 100 - 3.8=100 Peak 2349 from cnoeabs.peaks (1.81, 1.22, 27.38 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 3 + HG13 ILE 3 OK 100 100 - 100 - 2.9=100 Peak 2350 from cnoeabs.peaks (1.08, 1.22, 27.38 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 3 + HG13 ILE 3 OK 100 100 - 100 - 3.2=100 Peak 2351 from cnoeabs.peaks (1.56, 1.22, 27.38 ppm; 3.14 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 3 + HG13 ILE 3 OK 100 100 - 100 - 1.8=100 Peak 2352 from cnoeabs.peaks (1.22, 1.22, 27.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 3 + HG13 ILE 3 OK 100 100 - 100 Peak 2353 from cnoeabs.peaks (0.97, 1.22, 27.38 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 3 + HG13 ILE 3 OK 100 100 - 100 - 2.1=100 Peak 2354 from cnoeabs.peaks (4.83, 0.97, 13.48 ppm; 3.94 A): 1 out of 2 assignments used, quality = 0.87: * HA ILE 3 + QD1 ILE 3 OK 87 100 - 87 - 4.2=84, 3.6/7308=18, 4635/9025=1 HA ILE 5 - QD1 ILE 3 lone 8 97 - 9 - ~9007=4, 2/7308=2...(4) Peak 2355 from cnoeabs.peaks (1.81, 0.97, 13.48 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 3 + QD1 ILE 3 OK 100 100 - 100 - 3.2=100 Peak 2356 from cnoeabs.peaks (1.08, 0.97, 13.48 ppm; 3.17 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 3 + QD1 ILE 3 OK 100 100 - 100 - 3.0=100 Peak 2357 from cnoeabs.peaks (1.56, 0.97, 13.48 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 3 + QD1 ILE 3 OK 100 100 - 100 - 2.1=100 Peak 2358 from cnoeabs.peaks (1.22, 0.97, 13.48 ppm; 3.22 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 3 + QD1 ILE 3 OK 100 100 - 100 - 2.1=100 Peak 2359 from cnoeabs.peaks (0.97, 0.97, 13.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 3 + QD1 ILE 3 OK 100 100 - 100 Peak 2360 from cnoeabs.peaks (9.08, 5.46, 53.34 ppm; 5.68 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 4 + HA LEU 4 OK 100 100 - 100 - 2.9=100 Peak 2361 from cnoeabs.peaks (5.46, 5.46, 53.34 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 4 + HA LEU 4 OK 100 100 - 100 Peak 2362 from cnoeabs.peaks (1.44, 5.46, 53.34 ppm; 3.94 A): 3 out of 3 assignments used, quality = 1.00: HB3 LEU 4 + HA LEU 4 OK 100 100 - 100 - 3.0=100 * HB2 LEU 4 + HA LEU 4 OK 100 100 - 100 - 3.0=100 HG LEU 4 + HA LEU 4 OK 81 81 - 100 - 3.7=100 Peak 2363 from cnoeabs.peaks (1.44, 5.46, 53.34 ppm; 3.94 A): 3 out of 3 assignments used, quality = 1.00: * HB3 LEU 4 + HA LEU 4 OK 100 100 - 100 - 3.0=100 HB2 LEU 4 + HA LEU 4 OK 100 100 - 100 - 3.0=100 HG LEU 4 + HA LEU 4 OK 81 81 - 100 - 3.7=100 Peak 2364 from cnoeabs.peaks (1.45, 5.46, 53.34 ppm; 3.94 A): 3 out of 3 assignments used, quality = 1.00: * HG LEU 4 + HA LEU 4 OK 100 100 - 100 - 3.7=100 HB3 LEU 4 + HA LEU 4 OK 81 81 - 100 - 3.0=100 HB2 LEU 4 + HA LEU 4 OK 81 81 - 100 - 3.0=100 Peak 2365 from cnoeabs.peaks (0.64, 5.46, 53.34 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 4 + HA LEU 4 OK 100 100 - 100 - 3.8=100 Peak 2366 from cnoeabs.peaks (0.68, 5.46, 53.34 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 4 + HA LEU 4 OK 100 100 - 100 - 3.8=100 Peak 2367 from cnoeabs.peaks (9.08, 1.44, 45.31 ppm; 4.11 A): 2 out of 2 assignments used, quality = 1.00: H LEU 4 + HB3 LEU 4 OK 100 100 - 100 - 3.8=100 * H LEU 4 + HB2 LEU 4 OK 100 100 - 100 - 3.8=100 Peak 2368 from cnoeabs.peaks (5.46, 1.44, 45.31 ppm; 4.05 A): 2 out of 2 assignments used, quality = 1.00: HA LEU 4 + HB3 LEU 4 OK 100 100 - 100 - 3.0=100 * HA LEU 4 + HB2 LEU 4 OK 100 100 - 100 - 3.0=100 Peak 2369 from cnoeabs.peaks (1.44, 1.44, 45.31 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 LEU 4 + HB3 LEU 4 OK 100 100 - 100 * HB2 LEU 4 + HB2 LEU 4 OK 100 100 - 100 Peak 2370 from cnoeabs.peaks (1.44, 1.44, 45.31 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 LEU 4 + HB3 LEU 4 OK 100 100 - 100 HB2 LEU 4 + HB2 LEU 4 OK 100 100 - 100 Reference assignment not found: HB3 LEU 4 - HB2 LEU 4 Peak 2371 from cnoeabs.peaks (1.45, 1.44, 45.31 ppm; diagonal): 2 out of 2 assignments used, quality = 0.96: HB3 LEU 4 + HB3 LEU 4 OK 81 81 - 100 HB2 LEU 4 + HB2 LEU 4 OK 81 81 - 100 Reference assignment not found: HG LEU 4 - HB2 LEU 4 Peak 2372 from cnoeabs.peaks (0.64, 1.44, 45.31 ppm; 3.26 A): 2 out of 2 assignments used, quality = 1.00: QD1 LEU 4 + HB3 LEU 4 OK 100 100 - 100 - 3.1=100 * QD1 LEU 4 + HB2 LEU 4 OK 100 100 - 100 - 3.1=100 Peak 2373 from cnoeabs.peaks (0.68, 1.44, 45.31 ppm; 3.26 A): 2 out of 2 assignments used, quality = 1.00: QD2 LEU 4 + HB3 LEU 4 OK 100 100 - 100 - 3.1=100 * QD2 LEU 4 + HB2 LEU 4 OK 100 100 - 100 - 3.1=100 Peak 2375 from cnoeabs.peaks (5.46, 1.44, 45.31 ppm; 4.05 A): 2 out of 2 assignments used, quality = 1.00: * HA LEU 4 + HB3 LEU 4 OK 100 100 - 100 - 3.0=100 HA LEU 4 + HB2 LEU 4 OK 100 100 - 100 - 3.0=100 Peak 2376 from cnoeabs.peaks (1.44, 1.44, 45.31 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 LEU 4 + HB3 LEU 4 OK 100 100 - 100 HB2 LEU 4 + HB2 LEU 4 OK 100 100 - 100 Reference assignment not found: HB2 LEU 4 - HB3 LEU 4 Peak 2377 from cnoeabs.peaks (1.44, 1.44, 45.31 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 4 + HB3 LEU 4 OK 100 100 - 100 HB2 LEU 4 + HB2 LEU 4 OK 100 100 - 100 Peak 2378 from cnoeabs.peaks (1.45, 1.44, 45.31 ppm; diagonal): 2 out of 2 assignments used, quality = 0.96: HB3 LEU 4 + HB3 LEU 4 OK 81 81 - 100 HB2 LEU 4 + HB2 LEU 4 OK 81 81 - 100 Reference assignment not found: HG LEU 4 - HB3 LEU 4 Peak 2379 from cnoeabs.peaks (0.64, 1.44, 45.31 ppm; 3.26 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 4 + HB3 LEU 4 OK 100 100 - 100 - 3.1=100 QD1 LEU 4 + HB2 LEU 4 OK 100 100 - 100 - 3.1=100 Peak 2380 from cnoeabs.peaks (0.68, 1.44, 45.31 ppm; 3.26 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 4 + HB3 LEU 4 OK 100 100 - 100 - 3.1=100 QD2 LEU 4 + HB2 LEU 4 OK 100 100 - 100 - 3.1=100 Peak 2381 from cnoeabs.peaks (9.08, 1.45, 28.19 ppm; 4.81 A): 1 out of 4 assignments used, quality = 0.95: * H LEU 4 + HG LEU 4 OK 95 100 - 95 - 5.3=75, 2388/2.1=41...(10) H LEU 81 - HG LEU 80 OK 28 42 - 67 - 506/3.0=21, 504/4.3=21...(10) H LEU 4 - HG LEU 80 lone 6 76 - 8 - 9041/10689=1...(3) H LEU 81 - HG LEU 4 lone 6 65 - 8 - 2388/2.1=1, 4.7/1531=1 Peak 2382 from cnoeabs.peaks (5.46, 1.45, 28.19 ppm; 4.50 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 4 + HG LEU 4 OK 100 100 - 100 - 3.7=100 Peak 2383 from cnoeabs.peaks (1.44, 1.45, 28.19 ppm; diagonal): 2 out of 2 assignments used, quality = 0.95: HG LEU 4 + HG LEU 4 OK 81 81 - 100 HG LEU 80 + HG LEU 80 OK 74 74 - 100 Reference assignment not found: HB2 LEU 4 - HG LEU 4 Peak 2384 from cnoeabs.peaks (1.44, 1.45, 28.19 ppm; diagonal): 2 out of 2 assignments used, quality = 0.95: HG LEU 4 + HG LEU 4 OK 81 81 - 100 HG LEU 80 + HG LEU 80 OK 74 74 - 100 Reference assignment not found: HB3 LEU 4 - HG LEU 4 Peak 2385 from cnoeabs.peaks (1.45, 1.45, 28.19 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 4 + HG LEU 4 OK 100 100 - 100 HG LEU 80 + HG LEU 80 OK 64 64 - 100 Peak 2386 from cnoeabs.peaks (0.64, 1.45, 28.19 ppm; 3.07 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 4 + HG LEU 4 OK 100 100 - 100 - 2.1=100 Peak 2387 from cnoeabs.peaks (0.68, 1.45, 28.19 ppm; 2.97 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 4 + HG LEU 4 OK 100 100 - 100 - 2.1=100 Peak 2388 from cnoeabs.peaks (9.08, 0.64, 25.46 ppm; 4.35 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 4 + QD1 LEU 4 OK 100 100 - 100 - 4.4=99, 1034/2.1=32...(10) H LEU 81 - QD1 LEU 4 lone 3 65 - 5 - 4.7/9916=2, 2381/2.1=1 Peak 2389 from cnoeabs.peaks (5.46, 0.64, 25.46 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 4 + QD1 LEU 4 OK 100 100 - 100 - 3.8=100 Peak 2390 from cnoeabs.peaks (1.44, 0.64, 25.46 ppm; 2.83 A): 1 out of 1 assignment used, quality = 0.81: HG LEU 4 + QD1 LEU 4 OK 81 81 - 100 - 2.1=100 Reference assignment not found: HB2 LEU 4 - QD1 LEU 4 Peak 2391 from cnoeabs.peaks (1.44, 0.64, 25.46 ppm; 2.83 A): 1 out of 1 assignment used, quality = 0.81: HG LEU 4 + QD1 LEU 4 OK 81 81 - 100 - 2.1=100 Reference assignment not found: HB3 LEU 4 - QD1 LEU 4 Peak 2392 from cnoeabs.peaks (1.45, 0.64, 25.46 ppm; 2.83 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 4 + QD1 LEU 4 OK 100 100 - 100 - 2.1=100 Peak 2393 from cnoeabs.peaks (0.64, 0.64, 25.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 4 + QD1 LEU 4 OK 100 100 - 100 Peak 2394 from cnoeabs.peaks (0.68, 0.64, 25.46 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 4 + QD1 LEU 4 OK 100 100 - 100 - 2.1=100 Peak 2395 from cnoeabs.peaks (9.08, 0.68, 25.98 ppm; 4.66 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 4 + QD2 LEU 4 OK 100 100 - 100 - 4.4=100 Peak 2396 from cnoeabs.peaks (5.46, 0.68, 25.98 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 4 + QD2 LEU 4 OK 100 100 - 100 - 3.8=100 Peak 2397 from cnoeabs.peaks (1.44, 0.68, 25.98 ppm; 2.83 A): 1 out of 1 assignment used, quality = 0.81: HG LEU 4 + QD2 LEU 4 OK 81 81 - 100 - 2.1=100 Reference assignment not found: HB2 LEU 4 - QD2 LEU 4 Peak 2398 from cnoeabs.peaks (1.44, 0.68, 25.98 ppm; 2.83 A): 1 out of 1 assignment used, quality = 0.81: HG LEU 4 + QD2 LEU 4 OK 81 81 - 100 - 2.1=100 Reference assignment not found: HB3 LEU 4 - QD2 LEU 4 Peak 2399 from cnoeabs.peaks (1.45, 0.68, 25.98 ppm; 2.83 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 4 + QD2 LEU 4 OK 100 100 - 100 - 2.1=100 Peak 2400 from cnoeabs.peaks (0.64, 0.68, 25.98 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 4 + QD2 LEU 4 OK 100 100 - 100 - 2.1=100 Peak 2401 from cnoeabs.peaks (0.68, 0.68, 25.98 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 4 + QD2 LEU 4 OK 100 100 - 100 QD1 LEU 55 + QD1 LEU 55 OK 52 52 - 100 Peak 2403 from cnoeabs.peaks (4.83, 4.83, 60.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 5 + HA ILE 5 OK 100 100 - 100 Peak 2404 from cnoeabs.peaks (1.65, 4.83, 60.54 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 5 + HA ILE 5 OK 100 100 - 100 - 3.0=100 Peak 2405 from cnoeabs.peaks (0.84, 4.83, 60.54 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * QG2 ILE 5 + HA ILE 5 OK 100 100 - 100 - 3.2=100 HG13 ILE 5 + HA ILE 5 OK 99 99 - 100 - 3.9=100 Peak 2406 from cnoeabs.peaks (1.81, 4.83, 60.54 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 5 + HA ILE 5 OK 100 100 - 100 - 3.9=100 Peak 2407 from cnoeabs.peaks (0.85, 4.83, 60.54 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * HG13 ILE 5 + HA ILE 5 OK 100 100 - 100 - 3.9=100 QG2 ILE 5 + HA ILE 5 OK 99 99 - 100 - 3.2=100 Peak 2408 from cnoeabs.peaks (0.62, 4.83, 60.54 ppm; 5.97 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 5 + HA ILE 5 OK 100 100 - 100 - 4.2=100 Peak 2409 from cnoeabs.peaks (8.77, 1.65, 39.53 ppm; 4.94 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 5 + HB ILE 5 OK 100 100 - 100 - 3.9=100 Peak 2410 from cnoeabs.peaks (4.83, 1.65, 39.53 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 5 + HB ILE 5 OK 100 100 - 100 - 3.0=100 Peak 2411 from cnoeabs.peaks (1.65, 1.65, 39.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 5 + HB ILE 5 OK 100 100 - 100 Peak 2412 from cnoeabs.peaks (0.84, 1.65, 39.53 ppm; 3.61 A): 2 out of 2 assignments used, quality = 1.00: * QG2 ILE 5 + HB ILE 5 OK 100 100 - 100 - 2.1=100 HG13 ILE 5 + HB ILE 5 OK 99 99 - 100 - 2.9=100 Peak 2413 from cnoeabs.peaks (1.81, 1.65, 39.53 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 5 + HB ILE 5 OK 100 100 - 100 - 2.9=100 Peak 2414 from cnoeabs.peaks (0.85, 1.65, 39.53 ppm; 3.61 A): 2 out of 2 assignments used, quality = 1.00: * HG13 ILE 5 + HB ILE 5 OK 100 100 - 100 - 2.9=100 QG2 ILE 5 + HB ILE 5 OK 99 99 - 100 - 2.1=100 Peak 2415 from cnoeabs.peaks (0.62, 1.65, 39.53 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 5 + HB ILE 5 OK 100 100 - 100 - 3.2=100 Peak 2416 from cnoeabs.peaks (8.77, 0.84, 17.12 ppm; 4.97 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 5 + QG2 ILE 5 OK 100 100 - 100 - 4.0=100 Peak 2417 from cnoeabs.peaks (4.83, 0.84, 17.12 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 5 + QG2 ILE 5 OK 100 100 - 100 - 3.2=100 Peak 2418 from cnoeabs.peaks (1.65, 0.84, 17.12 ppm; 3.32 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 5 + QG2 ILE 5 OK 100 100 - 100 - 2.1=100 Peak 2419 from cnoeabs.peaks (0.84, 0.84, 17.12 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG2 ILE 5 + QG2 ILE 5 OK 100 100 - 100 QG2 ILE 15 + QG2 ILE 15 OK 91 91 - 100 Peak 2420 from cnoeabs.peaks (1.81, 0.84, 17.12 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 5 + QG2 ILE 5 OK 100 100 - 100 - 3.2=100 Peak 2421 from cnoeabs.peaks (0.85, 0.84, 17.12 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: QG2 ILE 5 + QG2 ILE 5 OK 99 99 - 100 QG2 ILE 15 + QG2 ILE 15 OK 95 95 - 100 Reference assignment not found: HG13 ILE 5 - QG2 ILE 5 Peak 2422 from cnoeabs.peaks (0.62, 0.84, 17.12 ppm; 2.94 A): 2 out of 14 assignments used, quality = 1.00: * QD1 ILE 5 + QG2 ILE 5 OK 99 100 - 99 - 3.0=98, 2439/2.1=12...(7) HG13 ILE 15 + QG2 ILE 15 OK 69 78 - 88 - 3.2=77, 2.1/2716=19...(10) QD1 ILE 18 - QG2 ILE 15 OK 16 81 - 20 - 2.1/10779=3, 9192/3.2=3...(9) QD1 ILE 18 - QG2 ILE 5 OK 16 90 - 18 - 2.1/10779=3, 2.1/10780=2...(6) QG1 VAL 78 - QG2 ILE 5 OK 16 94 - 17 - 9888/4.4=5, 4.1/9899=3...(5) QD1 LEU 4 - QG2 ILE 5 OK 14 65 - 21 - 7313/4.0=5, ~10939=3...(7) QD1 ILE 5 - QG2 ILE 15 OK 11 95 - 12 - 1100/4.1=2, 2683/3.2=2, ~11658=1 QD1 ILE 54 - QG2 ILE 5 poor 9 90 - 10 - 2.1/10941=2, 13/4.0=1 QG1 VAL 22 - QG2 ILE 5 lone 5 81 - 6 - HG13 ILE 15 - QG2 ILE 5 lone 4 87 - 5 - 2.1/2716=1 QD1 ILE 54 - QG2 ILE 15 lone 4 81 - 5 - 1100/4.1=1 QG1 VAL 22 - QG2 ILE 15 lone 3 72 - 5 - QG1 VAL 78 - QG2 ILE 15 lone 2 86 - 2 - QD1 LEU 4 - QG2 ILE 15 lone 2 58 - 3 - Peak 2423 from cnoeabs.peaks (8.77, 1.81, 27.65 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 5 + HG12 ILE 5 OK 100 100 - 100 - 4.6=100 Peak 2424 from cnoeabs.peaks (4.83, 1.81, 27.65 ppm; 5.14 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 5 + HG12 ILE 5 OK 100 100 - 100 - 3.9=100 Peak 2425 from cnoeabs.peaks (1.65, 1.81, 27.65 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 5 + HG12 ILE 5 OK 100 100 - 100 - 2.9=100 Peak 2426 from cnoeabs.peaks (0.84, 1.81, 27.65 ppm; 3.53 A): 2 out of 2 assignments used, quality = 1.00: * QG2 ILE 5 + HG12 ILE 5 OK 100 100 - 100 - 3.2=100 HG13 ILE 5 + HG12 ILE 5 OK 99 99 - 100 - 1.8=100 Peak 2427 from cnoeabs.peaks (1.81, 1.81, 27.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 5 + HG12 ILE 5 OK 100 100 - 100 Peak 2428 from cnoeabs.peaks (0.85, 1.81, 27.65 ppm; 3.53 A): 2 out of 2 assignments used, quality = 1.00: * HG13 ILE 5 + HG12 ILE 5 OK 100 100 - 100 - 1.8=100 QG2 ILE 5 + HG12 ILE 5 OK 99 99 - 100 - 3.2=100 Peak 2429 from cnoeabs.peaks (0.62, 1.81, 27.65 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 5 + HG12 ILE 5 OK 100 100 - 100 - 2.1=100 Peak 2430 from cnoeabs.peaks (8.77, 0.85, 27.65 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 5 + HG13 ILE 5 OK 100 100 - 100 - 4.6=100 Peak 2431 from cnoeabs.peaks (4.83, 0.85, 27.65 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 5 + HG13 ILE 5 OK 100 100 - 100 - 3.9=100 Peak 2432 from cnoeabs.peaks (1.65, 0.85, 27.65 ppm; 4.50 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 5 + HG13 ILE 5 OK 100 100 - 100 - 2.9=100 Peak 2433 from cnoeabs.peaks (0.84, 0.85, 27.65 ppm; diagonal): 1 out of 2 assignments used, quality = 0.99: HG13 ILE 5 + HG13 ILE 5 OK 99 99 - 100 HG13 ILE 57 - HG13 ILE 57 OK 37 37 - 100 Reference assignment not found: QG2 ILE 5 - HG13 ILE 5 Peak 2434 from cnoeabs.peaks (1.81, 0.85, 27.65 ppm; 3.54 A): 1 out of 2 assignments used, quality = 1.00: * HG12 ILE 5 + HG13 ILE 5 OK 100 100 - 100 - 1.8=100 HB ILE 57 - HG13 ILE 57 OK 43 43 - 100 - 2.9=100 Peak 2435 from cnoeabs.peaks (0.85, 0.85, 27.65 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG13 ILE 5 + HG13 ILE 5 OK 100 100 - 100 HG13 ILE 57 + HG13 ILE 57 OK 50 50 - 100 Peak 2436 from cnoeabs.peaks (0.62, 0.85, 27.65 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 5 + HG13 ILE 5 OK 100 100 - 100 - 2.1=100 Peak 2437 from cnoeabs.peaks (8.77, 0.62, 13.41 ppm; 4.03 A): 6 out of 12 assignments used, quality = 0.90: * H ILE 5 + QD1 ILE 5 OK 73 100 - 73 - 5.0=52, 3.9/2439=13...(9) H ILE 18 + QD1 ILE 18 OK 32 38 - 83 - 5.0=51, 4.0/2920=22...(11) H ILE 18 + QD1 ILE 5 OK 17 57 - 30 - 3.0/2906=7, 1128=5...(9) H ILE 5 + QD1 ILE 54 OK 17 78 - 21 - 3.6/9496=6, 13=4...(8) H VAL 29 + QD1 ILE 54 OK 13 64 - 20 - 4.6/11481=8, 4.6/11356=4...(6) H ILE 5 + QD1 ILE 18 OK 13 78 - 16 - 1041=3, 10738/2.1=3...(7) H VAL 29 - QD1 ILE 5 lone 8 90 - 9 - 4.6/11356=3, 4.6/11481=3 H MET 42 - QD1 ILE 54 lone 4 56 - 7 - 9414/3.1=2, 4.7/11545=1...(4) H VAL 29 - QD1 ILE 18 lone 2 64 - 3 - H MET 42 - QD1 ILE 5 lone 1 81 - 2 - H MET 42 - QD1 ILE 18 lone 1 56 - 2 - H ILE 18 - QD1 ILE 54 lone 1 38 - 2 - Peak 2438 from cnoeabs.peaks (4.83, 0.62, 13.41 ppm; 4.05 A): 2 out of 9 assignments used, quality = 0.98: * HA ILE 5 + QD1 ILE 5 OK 96 100 - 96 - 4.2=93, 3.0/2439=17...(7) HA ILE 54 + QD1 ILE 54 OK 58 59 - 98 - 4.2=92, 3.2/4389=20...(12) HA ILE 3 - QD1 ILE 5 OK 29 97 - 30 - ~10739=11, 3.2/9009=8...(7) HA ILE 54 - QD1 ILE 5 OK 17 84 - 20 - 3.6/330=5, 3.0/1354=4...(6) HA ILE 5 - QD1 ILE 18 OK 14 78 - 18 - ~10779=3, 3.2/2422=2...(9) HA ILE 5 - QD1 ILE 54 OK 11 78 - 13 - 3.0/1041=3, ~10941=2...(6) HA ILE 3 - QD1 ILE 54 lone 7 72 - 10 - 3.6/1033=5, 3.2/9009=4 HA ILE 54 - QD1 ILE 18 lone 1 59 - 2 - HA ILE 3 - QD1 ILE 18 lone 1 72 - 2 - Peak 2439 from cnoeabs.peaks (1.65, 0.62, 13.41 ppm; 3.21 A): 1 out of 45 assignments used, quality = 0.99: * HB ILE 5 + QD1 ILE 5 OK 99 100 - 99 - 3.2=99, 2.1/2422=13...(10) HG LEU 114 - QD1 ILE 18 OK 38 75 - 51 - ~11629=12, ~11711=10...(9) HB2 ARG 30 - QD1 ILE 54 OK 16 71 - 23 - 3.6/9264=6, 9260/3.1=5...(8) HB ILE 5 - QD1 ILE 18 OK 13 78 - 16 - 10938/2.1=3, ~10779=2...(8) HB ILE 5 - QD1 ILE 54 lone 7 78 - 9 - ~10941=2, 3.9/1041=1...(4) HG LEU 114 - QD1 ILE 5 lone 6 99 - 6 - 3.0/11023=2, 3.7/11126=1 HB2 GLU 52 - QD1 ILE 54 lone 5 66 - 8 - 1.8/11351=3, 4.7/10800=2 HB2 GLU 52 - QD1 ILE 5 lone 3 92 - 4 - 4.7/10800=1 HB2 ARG 30 - QD1 ILE 5 lone 3 96 - 3 - HB ILE 116 - QD1 ILE 5 lone 3 73 - 4 - HG LEU 64 - QD1 ILE 5 lone 2 99 - 2 - HD3 LYS 65 - QD1 ILE 54 lone 2 75 - 3 - HG LEU 64 - QD1 ILE 18 lone 2 76 - 2 - HD2 LYS 65 - QD1 ILE 54 lone 2 71 - 3 - HB ILE 116 - QD1 ILE 18 lone 2 50 - 3 - HB3 LEU 64 - QD1 ILE 18 lone 1 47 - 3 - HD3 LYS 65 - QD1 ILE 5 lone 1 99 - 1 - HD2 LYS 49 - QD1 ILE 5 lone 1 97 - 1 - HD3 LYS 49 - QD1 ILE 5 lone 1 97 - 1 - HD2 LYS 65 - QD1 ILE 5 lone 1 96 - 1 - HG LEU 114 - QD1 ILE 54 lone 1 75 - 1 - HD2 LYS 115 - QD1 ILE 5 lone 1 92 - 1 - HB3 LEU 64 - QD1 ILE 5 lone 1 70 - 1 - HD3 LYS 115 - QD1 ILE 5 lone 1 84 - 1 - HG2 LYS 16 - QD1 ILE 5 lone 1 61 - 1 - HG LEU 64 - QD1 ILE 54 lone 1 76 - 1 - HG LEU 90 - QD1 ILE 5 lone 0 97 - 0 - HD3 LYS 49 - QD1 ILE 18 lone 0 72 - 1 - HD2 LYS 49 - QD1 ILE 18 lone 0 72 - 1 - HD2 LYS 115 - QD1 ILE 54 lone 0 66 - 1 - HD3 LYS 115 - QD1 ILE 54 lone 0 59 - 1 - HB2 ARG 30 - QD1 ILE 18 lone 0 71 - 1 - HD2 LYS 115 - QD1 ILE 18 lone 0 66 - 1 - HG LEU 90 - QD1 ILE 18 lone 0 72 - 1 - HD3 LYS 65 - QD1 ILE 18 lone 0 75 - 0 - HG2 LYS 16 - QD1 ILE 54 lone 0 41 - 1 - HD2 LYS 65 - QD1 ILE 18 lone 0 71 - 0 - HD3 LYS 115 - QD1 ILE 18 lone 0 59 - 1 - HG LEU 90 - QD1 ILE 54 lone 0 72 - 0 - HD2 LYS 49 - QD1 ILE 54 lone 0 72 - 0 - HD3 LYS 49 - QD1 ILE 54 lone 0 72 - 0 - HG2 LYS 16 - QD1 ILE 18 lone 0 41 - 1 - HB ILE 116 - QD1 ILE 54 lone 0 50 - 0 - HB2 GLU 52 - QD1 ILE 18 lone 0 66 - 0 - HB3 LEU 64 - QD1 ILE 54 lone 0 47 - 0 - Peak 2440 from cnoeabs.peaks (0.84, 0.62, 13.41 ppm; 2.57 A): 1 out of 1 assignment used, quality = 0.99: HG13 ILE 5 + QD1 ILE 5 OK 99 99 - 100 - 2.1=100 Reference assignment not found: QG2 ILE 5 - QD1 ILE 5 Peak 2441 from cnoeabs.peaks (1.81, 0.62, 13.41 ppm; 2.92 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 5 + QD1 ILE 5 OK 100 100 - 100 - 2.1=100 Peak 2442 from cnoeabs.peaks (0.85, 0.62, 13.41 ppm; 2.57 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 5 + QD1 ILE 5 OK 100 100 - 100 - 2.1=100 Peak 2443 from cnoeabs.peaks (0.62, 0.62, 13.41 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * QD1 ILE 5 + QD1 ILE 5 OK 100 100 - 100 QD1 ILE 54 + QD1 ILE 54 OK 64 64 - 100 QD1 ILE 18 + QD1 ILE 18 OK 64 64 - 100 Peak 2444 from cnoeabs.peaks (9.23, 5.35, 53.00 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 6 + HA LEU 6 OK 100 100 - 100 - 3.0=100 Peak 2445 from cnoeabs.peaks (5.35, 5.35, 53.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 6 + HA LEU 6 OK 100 100 - 100 Peak 2446 from cnoeabs.peaks (1.51, 5.35, 53.00 ppm; 4.07 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 6 + HA LEU 6 OK 100 100 - 100 - 3.0=100 HG LEU 6 + HA LEU 6 OK 87 87 - 100 - 3.6=100 Peak 2447 from cnoeabs.peaks (1.46, 5.35, 53.00 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 6 + HA LEU 6 OK 100 100 - 100 - 3.0=100 Peak 2448 from cnoeabs.peaks (1.52, 5.35, 53.00 ppm; 4.07 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 6 + HA LEU 6 OK 100 100 - 100 - 3.6=100 HB2 LEU 6 + HA LEU 6 OK 87 87 - 100 - 3.0=100 Peak 2449 from cnoeabs.peaks (0.73, 5.35, 53.00 ppm; 3.62 A): 1 out of 11 assignments used, quality = 0.96: * QD2 LEU 6 + HA LEU 6 OK 96 100 - 96 - 3.9=82, 2.1/2480=33...(14) QG2 ILE 7 - HA LEU 6 OK 39 94 - 41 - 4.0/23=23, 2.1/10951=6...(8) QG2 VAL 78 - HA LEU 6 OK 27 92 - 30 - ~9888=9, 1047/3.0=5...(9) QD2 LEU 55 - HA LEU 6 OK 21 100 - 21 - 4.6/9072=14, 11136/3.0=3...(4) QG2 ILE 54 - HA LEU 6 poor 10 90 - 11 - 11355/9535=4...(4) QD1 LEU 63 - HA LEU 6 lone 8 98 - 8 - 2473=3, 11559/9535=2 HG13 ILE 18 - HA LEU 6 lone 6 98 - 6 - 1047/3.0=1, ~21=1, ~11566=1 QD2 LEU 45 - HA LEU 6 lone 3 92 - 3 - QG1 VAL 117 - HA LEU 6 lone 3 81 - 3 - ~9066=1 QG2 ILE 18 - HA LEU 6 lone 3 70 - 4 - QD1 LEU 45 - HA LEU 6 lone 1 61 - 2 - Peak 2450 from cnoeabs.peaks (0.71, 5.35, 53.00 ppm; 3.62 A): 1 out of 9 assignments used, quality = 0.96: * QD1 LEU 6 + HA LEU 6 OK 96 100 - 96 - 3.9=82, 2.1/2473=31...(12) QG2 VAL 78 - HA LEU 6 OK 28 92 - 30 - ~9888=9, 1048/3.0=5...(9) QD1 ILE 57 - HA LEU 6 OK 16 96 - 17 - 9581/3.6=11, 1048/3.0=3 QD2 LEU 81 - HA LEU 6 OK 14 94 - 15 - 28/3.6=5, 1048/3.0=3...(5) QG2 ILE 18 - HA LEU 6 lone 4 100 - 4 - QD2 LEU 63 - HA LEU 6 lone 4 98 - 4 - 2.1/2473=2 QG1 VAL 117 - HA LEU 6 lone 4 98 - 4 - 1048/3.0=1, ~9066=1 HG13 ILE 18 - HA LEU 6 lone 4 81 - 5 - ~21=1, 1048/3.0=1, ~11566=1 QD2 LEU 45 - HA LEU 6 lone 3 92 - 3 - Peak 2451 from cnoeabs.peaks (9.23, 1.51, 44.53 ppm; 4.81 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 6 + HB2 LEU 6 OK 100 100 - 100 - 3.9=100 Peak 2452 from cnoeabs.peaks (5.35, 1.51, 44.53 ppm; 5.36 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 6 + HB2 LEU 6 OK 100 100 - 100 - 3.0=100 Peak 2453 from cnoeabs.peaks (1.51, 1.51, 44.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 6 + HB2 LEU 6 OK 100 100 - 100 Peak 2454 from cnoeabs.peaks (1.46, 1.51, 44.53 ppm; 3.10 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 6 + HB2 LEU 6 OK 100 100 - 100 - 1.8=100 Peak 2455 from cnoeabs.peaks (1.52, 1.51, 44.53 ppm; diagonal): 1 out of 1 assignment used, quality = 0.87: HB2 LEU 6 + HB2 LEU 6 OK 87 87 - 100 Reference assignment not found: HG LEU 6 - HB2 LEU 6 Peak 2456 from cnoeabs.peaks (0.73, 1.51, 44.53 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 6 + HB2 LEU 6 OK 100 100 - 100 - 3.1=100 Peak 2457 from cnoeabs.peaks (0.71, 1.51, 44.53 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 6 + HB2 LEU 6 OK 100 100 - 100 - 3.1=100 Peak 2458 from cnoeabs.peaks (9.23, 1.46, 44.53 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 6 + HB3 LEU 6 OK 100 100 - 100 - 3.9=100 Peak 2459 from cnoeabs.peaks (5.35, 1.46, 44.53 ppm; 4.67 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 6 + HB3 LEU 6 OK 100 100 - 100 - 3.0=100 Peak 2460 from cnoeabs.peaks (1.51, 1.46, 44.53 ppm; 3.15 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 6 + HB3 LEU 6 OK 100 100 - 100 - 1.8=100 HG LEU 6 + HB3 LEU 6 OK 87 87 - 100 - 3.0=100 Peak 2461 from cnoeabs.peaks (1.46, 1.46, 44.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 6 + HB3 LEU 6 OK 100 100 - 100 Peak 2462 from cnoeabs.peaks (1.52, 1.46, 44.53 ppm; 3.15 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 6 + HB3 LEU 6 OK 100 100 - 100 - 3.0=100 HB2 LEU 6 + HB3 LEU 6 OK 87 87 - 100 - 1.8=100 Peak 2463 from cnoeabs.peaks (0.73, 1.46, 44.53 ppm; 3.47 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 6 + HB3 LEU 6 OK 100 100 - 100 - 3.1=100 Peak 2464 from cnoeabs.peaks (0.71, 1.46, 44.53 ppm; 3.47 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 6 + HB3 LEU 6 OK 100 100 - 100 - 3.1=100 Peak 2465 from cnoeabs.peaks (9.23, 1.52, 27.91 ppm; 4.96 A): 1 out of 1 assignment used, quality = 0.99: * H LEU 6 + HG LEU 6 OK 99 100 - 99 - 5.1=94, ~2480=29...(13) Peak 2466 from cnoeabs.peaks (5.35, 1.52, 27.91 ppm; 4.88 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 6 + HG LEU 6 OK 100 100 - 100 - 3.6=100 Peak 2467 from cnoeabs.peaks (1.51, 1.52, 27.91 ppm; diagonal): 1 out of 1 assignment used, quality = 0.87: HG LEU 6 + HG LEU 6 OK 87 87 - 100 Reference assignment not found: HB2 LEU 6 - HG LEU 6 Peak 2468 from cnoeabs.peaks (1.46, 1.52, 27.91 ppm; 2.78 A): 3 out of 14 assignments used, quality = 0.94: * HB3 LEU 6 + HG LEU 6 OK 91 100 - 91 - 3.0=81, 2482/2.1=16...(11) HG12 ILE 7 + HG LEU 6 OK 20 100 - 20 - 5.3/7324=4, 2482/2.1=4...(9) HB3 LEU 38 + HG LEU 6 OK 14 100 - 14 - 2482/2.1=3, 2.9/3520=2...(6) HG3 ARG 30 - HG LEU 6 lone 7 98 - 8 - 2.8/11537=1, 2475/2.1=1...(5) HG2 LYS 49 - HG LEU 6 lone 7 100 - 7 - 3.0/11537=2, 3.0/11537=2 HG3 LYS 49 - HG LEU 6 lone 7 100 - 7 - 3.0/11537=2, 3.0/11537=2 HG LEU 80 - HG LEU 6 lone 6 70 - 8 - 2482/2.1=2, ~10954=2, ~10953=2 HG12 ILE 57 - HG LEU 6 lone 3 100 - 3 - HG LEU 4 - HG LEU 6 lone 2 97 - 2 - HG2 LYS 39 - HG LEU 6 lone 2 100 - 2 - HG3 LYS 20 - HG LEU 6 lone 1 65 - 1 - HG2 LYS 106 - HG LEU 6 lone 0 100 - 0 - HG2 LYS 96 - HG LEU 6 lone 0 65 - 1 - HB2 LEU 74 - HG LEU 6 lone 0 96 - 0 - Peak 2469 from cnoeabs.peaks (1.52, 1.52, 27.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 6 + HG LEU 6 OK 100 100 - 100 Peak 2470 from cnoeabs.peaks (0.73, 1.52, 27.91 ppm; 3.06 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 6 + HG LEU 6 OK 100 100 - 100 - 2.1=100 Peak 2471 from cnoeabs.peaks (0.71, 1.52, 27.91 ppm; 3.06 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 6 + HG LEU 6 OK 100 100 - 100 - 2.1=100 Peak 2473 from cnoeabs.peaks (5.35, 0.73, 25.37 ppm; 3.69 A): 1 out of 2 assignments used, quality = 0.97: * HA LEU 6 + QD2 LEU 6 OK 97 100 - 97 - 3.9=87, 2450/2.1=20...(14) HA LEU 6 - QD1 LEU 63 lone 7 84 - 8 - 9535/11559=2, 2449=2 Peak 2474 from cnoeabs.peaks (1.51, 0.73, 25.37 ppm; 2.87 A): 1 out of 1 assignment used, quality = 0.87: HG LEU 6 + QD2 LEU 6 OK 87 87 - 100 - 2.1=100 Reference assignment not found: HB2 LEU 6 - QD2 LEU 6 Peak 2475 from cnoeabs.peaks (1.46, 0.73, 25.37 ppm; 2.85 A): 4 out of 28 assignments used, quality = 0.95: * HB3 LEU 6 + QD2 LEU 6 OK 87 100 - 87 - 3.1=76, 2468/2.1=17...(8) HB3 LEU 38 + QD1 LEU 63 OK 34 83 - 41 - ~9684=5, 11232/3.1=4...(18) HG12 ILE 7 + QD2 LEU 6 OK 25 100 - 26 - 2507/5.0=7, 2510=5...(8) HB3 LEU 38 + QD2 LEU 6 OK 15 100 - 15 - 2468/2.1=3, 3.8/10986=2...(8) HG3 ARG 30 - QD2 LEU 6 lone 9 98 - 9 - 3.0/9263=2, 2.8/11611=2...(4) HG2 LYS 49 - QD2 LEU 6 lone 7 100 - 7 - 3.0/11611=2, 3.0/11611=2 HG3 LYS 49 - QD2 LEU 6 lone 7 100 - 7 - 3.0/11611=2, 3.0/11611=2 HG LEU 80 - QD2 LEU 6 lone 5 70 - 7 - ~10954=2, ~10953=2, 2468/2.1=1 HG12 ILE 57 - QD2 LEU 6 lone 3 100 - 3 - 25/5.0=1 HB3 LEU 6 - QD1 LEU 63 lone 3 84 - 3 - 3.0/2473=1 HG LEU 4 - QD2 LEU 6 lone 3 97 - 3 - HG2 LYS 39 - QD1 LEU 63 lone 2 84 - 2 - 4.9/10959=1 HG12 ILE 7 - QD1 LEU 63 lone 2 84 - 2 - HG3 ARG 30 - QD1 LEU 63 lone 2 79 - 2 - HG2 LYS 39 - QD2 LEU 6 lone 2 100 - 2 - HG LEU 4 - QD1 LEU 63 lone 1 78 - 1 - HG12 ILE 57 - QD1 LEU 63 lone 1 83 - 1 - HG3 LYS 20 - QD1 LEU 63 lone 1 48 - 2 - HG2 LYS 106 - QD2 LEU 6 lone 1 100 - 1 - HG LEU 80 - QD1 LEU 63 lone 1 51 - 1 - HG3 LYS 20 - QD2 LEU 6 lone 0 65 - 1 - HB2 LEU 74 - QD2 LEU 6 lone 0 96 - 0 - HG2 LYS 106 - QD1 LEU 63 lone 0 83 - 0 - HG2 LYS 96 - QD2 LEU 6 lone 0 65 - 1 - HG2 LYS 96 - QD1 LEU 63 lone 0 48 - 1 - HB2 LEU 74 - QD1 LEU 63 lone 0 76 - 0 - HG2 LYS 49 - QD1 LEU 63 lone 0 84 - 0 - HG3 LYS 49 - QD1 LEU 63 lone 0 84 - 0 - Peak 2476 from cnoeabs.peaks (1.52, 0.73, 25.37 ppm; 2.87 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 6 + QD2 LEU 6 OK 100 100 - 100 - 2.1=100 Peak 2477 from cnoeabs.peaks (0.73, 0.73, 25.37 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 6 + QD2 LEU 6 OK 100 100 - 100 QD1 LEU 63 + QD1 LEU 63 OK 79 79 - 100 Peak 2478 from cnoeabs.peaks (0.71, 0.73, 25.37 ppm; 2.40 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 6 + QD2 LEU 6 OK 100 100 - 100 - 2.1=100 QD2 LEU 63 + QD1 LEU 63 OK 79 79 - 100 - 2.1=100 Peak 2480 from cnoeabs.peaks (5.35, 0.71, 25.51 ppm; 3.69 A): 1 out of 1 assignment used, quality = 0.97: * HA LEU 6 + QD1 LEU 6 OK 97 100 - 97 - 3.9=87, 3.0/11342=25...(12) Peak 2481 from cnoeabs.peaks (1.51, 0.71, 25.51 ppm; 2.80 A): 1 out of 1 assignment used, quality = 0.87: HG LEU 6 + QD1 LEU 6 OK 87 87 - 100 - 2.1=100 Reference assignment not found: HB2 LEU 6 - QD1 LEU 6 Peak 2482 from cnoeabs.peaks (1.46, 0.71, 25.51 ppm; 2.79 A): 4 out of 14 assignments used, quality = 0.91: * HB3 LEU 6 + QD1 LEU 6 OK 86 100 - 86 - 3.1=71, 2468/2.1=17...(9) HG12 ILE 7 + QD1 LEU 6 OK 21 100 - 21 - 2507/5.0=6, 2510/2.1=4...(8) HB3 LEU 38 + QD1 LEU 6 OK 14 100 - 14 - 3.1/10987=3, 2468/2.1=3...(6) HG LEU 80 + QD1 LEU 6 OK 12 70 - 17 - 4.3/9067=8, 5.3/11561=3...(5) HG3 ARG 30 - QD1 LEU 6 lone 6 98 - 6 - 2468/2.1=1, ~9261=1, ~9263=1 HG2 LYS 49 - QD1 LEU 6 lone 5 100 - 4 - 2468/2.1=1 HG3 LYS 49 - QD1 LEU 6 lone 5 100 - 4 - 2468/2.1=1 HG12 ILE 57 - QD1 LEU 6 lone 4 100 - 4 - 25/5.0=1 HG LEU 4 - QD1 LEU 6 lone 2 97 - 2 - HG2 LYS 39 - QD1 LEU 6 lone 1 100 - 1 - HG2 LYS 106 - QD1 LEU 6 lone 1 100 - 1 - HG3 LYS 20 - QD1 LEU 6 lone 0 65 - 1 - HB2 LEU 74 - QD1 LEU 6 lone 0 96 - 0 - HG2 LYS 96 - QD1 LEU 6 lone 0 65 - 0 - Peak 2483 from cnoeabs.peaks (1.52, 0.71, 25.51 ppm; 2.80 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 6 + QD1 LEU 6 OK 100 100 - 100 - 2.1=100 Peak 2484 from cnoeabs.peaks (0.73, 0.71, 25.51 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 6 + QD1 LEU 6 OK 100 100 - 100 - 2.1=100 Peak 2485 from cnoeabs.peaks (0.71, 0.71, 25.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 6 + QD1 LEU 6 OK 100 100 - 100 Peak 2486 from cnoeabs.peaks (8.93, 5.18, 58.22 ppm; 4.64 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 7 + HA ILE 7 OK 100 100 - 100 - 3.0=100 Peak 2487 from cnoeabs.peaks (5.18, 5.18, 58.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 7 + HA ILE 7 OK 100 100 - 100 Peak 2488 from cnoeabs.peaks (1.89, 5.18, 58.22 ppm; 4.29 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 7 + HA ILE 7 OK 100 100 - 100 - 3.0=100 Peak 2489 from cnoeabs.peaks (0.74, 5.18, 58.22 ppm; 3.47 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 7 + HA ILE 7 OK 100 100 - 100 - 3.2=100 Peak 2490 from cnoeabs.peaks (1.46, 5.18, 58.22 ppm; 4.69 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 7 + HA ILE 7 OK 100 100 - 100 - 3.8=100 Peak 2491 from cnoeabs.peaks (1.25, 5.18, 58.22 ppm; 4.74 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 7 + HA ILE 7 OK 100 100 - 100 - 3.8=100 Peak 2492 from cnoeabs.peaks (0.77, 5.18, 58.22 ppm; 3.47 A): 3 out of 10 assignments used, quality = 0.94: * QD1 ILE 7 + HA ILE 7 OK 87 100 - 87 - 4.1=60, 2524/3.2=15...(17) QG2 VAL 32 + HA ILE 7 OK 33 99 - 33 - 10928/3.0=11, ~10929=6...(7) QD2 LEU 80 + HA ILE 7 OK 27 94 - 29 - 2.1/11625=10...(5) QD1 LEU 80 - HA ILE 7 OK 27 96 - 28 - 11625=10, 5.0/9951=10...(5) QG1 VAL 107 - HA ILE 7 lone 7 99 - 7 - 11458/9953=1, ~11459=1 QD1 LEU 82 - HA ILE 7 lone 6 90 - 7 - 3.9/9079=4, 1055/3.0=1 QD1 ILE 15 - HA ILE 7 lone 4 100 - 4 - QD2 LEU 14 - HA ILE 7 lone 3 99 - 3 - QD1 LEU 45 - HA ILE 7 lone 2 84 - 2 - QD2 LEU 64 - HA ILE 7 lone 1 73 - 1 - Peak 2493 from cnoeabs.peaks (8.93, 1.89, 40.15 ppm; 4.39 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 7 + HB ILE 7 OK 100 100 - 100 - 3.9=100 Peak 2494 from cnoeabs.peaks (5.18, 1.89, 40.15 ppm; 5.12 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 7 + HB ILE 7 OK 100 100 - 100 - 3.0=100 Peak 2495 from cnoeabs.peaks (1.89, 1.89, 40.15 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 7 + HB ILE 7 OK 100 100 - 100 Peak 2496 from cnoeabs.peaks (0.74, 1.89, 40.15 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 7 + HB ILE 7 OK 100 100 - 100 - 2.1=100 Peak 2497 from cnoeabs.peaks (1.46, 1.89, 40.15 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 7 + HB ILE 7 OK 100 100 - 100 - 3.0=100 Peak 2498 from cnoeabs.peaks (1.25, 1.89, 40.15 ppm; 4.50 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 7 + HB ILE 7 OK 100 100 - 100 - 3.0=100 Peak 2499 from cnoeabs.peaks (0.77, 1.89, 40.15 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 7 + HB ILE 7 OK 100 100 - 100 - 3.2=100 Peak 2500 from cnoeabs.peaks (8.93, 0.74, 16.61 ppm; 5.13 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 7 + QG2 ILE 7 OK 100 100 - 100 - 4.0=100 Peak 2501 from cnoeabs.peaks (5.18, 0.74, 16.61 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 7 + QG2 ILE 7 OK 100 100 - 100 - 3.2=100 Peak 2502 from cnoeabs.peaks (1.89, 0.74, 16.61 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 7 + QG2 ILE 7 OK 100 100 - 100 - 2.1=100 Peak 2503 from cnoeabs.peaks (0.74, 0.74, 16.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 7 + QG2 ILE 7 OK 100 100 - 100 Peak 2504 from cnoeabs.peaks (1.46, 0.74, 16.61 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 7 + QG2 ILE 7 OK 100 100 - 100 - 3.2=100 Peak 2505 from cnoeabs.peaks (1.25, 0.74, 16.61 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 7 + QG2 ILE 7 OK 100 100 - 100 - 3.2=100 Peak 2507 from cnoeabs.peaks (8.93, 1.46, 27.10 ppm; 4.85 A): 1 out of 1 assignment used, quality = 0.97: * H ILE 7 + HG12 ILE 7 OK 97 100 - 97 - 5.3=77, 2514/1.8=41...(13) Peak 2508 from cnoeabs.peaks (5.18, 1.46, 27.10 ppm; 4.66 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 7 + HG12 ILE 7 OK 100 100 - 100 - 3.8=100 Peak 2509 from cnoeabs.peaks (1.89, 1.46, 27.10 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 7 + HG12 ILE 7 OK 100 100 - 100 - 3.0=100 Peak 2510 from cnoeabs.peaks (0.74, 1.46, 27.10 ppm; 2.97 A): 2 out of 12 assignments used, quality = 0.93: * QG2 ILE 7 + HG12 ILE 7 OK 90 100 - 90 - 3.2=81, 2524/2.1=16...(10) QD2 LEU 6 + HG12 ILE 7 OK 29 94 - 31 - 5.0/2507=7, 2475=6...(9) QG2 VAL 32 - HG12 ILE 7 OK 25 61 - 41 - 2.1/10930=8, ~11584=5...(12) QG2 VAL 78 - HG12 ILE 7 OK 23 61 - 37 - 2.1/11580=10, ~11581=7...(10) QD2 LEU 55 - HG12 ILE 7 OK 19 96 - 20 - 11136=7, ~11557=4...(5) HG13 ILE 18 - HG12 ILE 7 OK 13 77 - 16 - 2.1/11580=5, ~11581=3...(6) QG1 VAL 107 - HG12 ILE 7 lone 5 61 - 8 - ~11584=1, ~11618=1, 2524/2.1=1 QG2 ILE 54 - HG12 ILE 7 lone 4 100 - 4 - QD1 LEU 63 - HG12 ILE 7 lone 3 100 - 3 - QD2 LEU 14 - HG12 ILE 7 lone 2 61 - 3 - QD1 LEU 45 - HG12 ILE 7 lone 2 92 - 2 - QD2 LEU 45 - HG12 ILE 7 lone 1 61 - 1 - Peak 2511 from cnoeabs.peaks (1.46, 1.46, 27.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 7 + HG12 ILE 7 OK 100 100 - 100 Peak 2512 from cnoeabs.peaks (1.25, 1.46, 27.10 ppm; 3.04 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 7 + HG12 ILE 7 OK 100 100 - 100 - 1.8=100 Peak 2513 from cnoeabs.peaks (0.77, 1.46, 27.10 ppm; 2.97 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 7 + HG12 ILE 7 OK 100 100 - 100 - 2.1=100 Peak 2514 from cnoeabs.peaks (8.93, 1.25, 27.10 ppm; 4.74 A): 1 out of 1 assignment used, quality = 0.95: * H ILE 7 + HG13 ILE 7 OK 95 100 - 95 - 5.3=72, 2507/1.8=38...(9) Peak 2515 from cnoeabs.peaks (5.18, 1.25, 27.10 ppm; 4.67 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 7 + HG13 ILE 7 OK 100 100 - 100 - 3.8=100 Peak 2516 from cnoeabs.peaks (1.89, 1.25, 27.10 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 7 + HG13 ILE 7 OK 100 100 - 100 - 3.0=100 Peak 2517 from cnoeabs.peaks (0.74, 1.25, 27.10 ppm; 3.03 A): 2 out of 12 assignments used, quality = 0.94: * QG2 ILE 7 + HG13 ILE 7 OK 92 100 - 92 - 3.2=86, 2524/2.1=17...(10) QG2 VAL 32 + HG13 ILE 7 OK 25 61 - 41 - 2.1/11618=9, ~11584=6...(11) QD2 LEU 6 - HG13 ILE 7 OK 23 94 - 24 - 5.0/2514=8, 2510/1.8=5...(7) QG2 VAL 78 - HG13 ILE 7 OK 21 61 - 35 - ~11581=8, ~11580=7...(10) QD2 LEU 55 - HG13 ILE 7 OK 19 96 - 20 - 11136/1.8=7, 2.1/11557=6...(4) HG13 ILE 18 - HG13 ILE 7 OK 12 77 - 16 - ~11581=4, ~11580=3...(6) QG1 VAL 107 - HG13 ILE 7 poor 6 61 - 10 - 2.1/11618=2, ~11584=1...(4) QG2 ILE 54 - HG13 ILE 7 lone 3 100 - 3 - QD1 LEU 63 - HG13 ILE 7 lone 2 100 - 2 - QD2 LEU 14 - HG13 ILE 7 lone 2 61 - 3 - QD1 LEU 45 - HG13 ILE 7 lone 2 92 - 2 - QD2 LEU 45 - HG13 ILE 7 lone 1 61 - 1 - Peak 2518 from cnoeabs.peaks (1.46, 1.25, 27.10 ppm; 3.02 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 7 + HG13 ILE 7 OK 100 100 - 100 - 1.8=100 Peak 2519 from cnoeabs.peaks (1.25, 1.25, 27.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 7 + HG13 ILE 7 OK 100 100 - 100 Peak 2520 from cnoeabs.peaks (0.77, 1.25, 27.10 ppm; 3.03 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 7 + HG13 ILE 7 OK 100 100 - 100 - 2.1=100 Peak 2521 from cnoeabs.peaks (8.93, 0.77, 14.16 ppm; 4.74 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 7 + QD1 ILE 7 OK 100 100 - 100 - 4.7=100 Peak 2522 from cnoeabs.peaks (5.18, 0.77, 14.16 ppm; 4.02 A): 1 out of 2 assignments used, quality = 0.98: * HA ILE 7 + QD1 ILE 7 OK 98 100 - 98 - 4.1=92, 3.2/2524=18...(17) HA VAL 78 - QD1 ILE 7 OK 42 77 - 54 - 3.2/11581=18...(15) Peak 2523 from cnoeabs.peaks (1.89, 0.77, 14.16 ppm; 3.46 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 7 + QD1 ILE 7 OK 100 100 - 100 - 3.2=100 Peak 2524 from cnoeabs.peaks (0.74, 0.77, 14.16 ppm; 2.40 A): 5 out of 12 assignments used, quality = 0.79: * QG2 ILE 7 + QD1 ILE 7 OK 60 100 - 60 - 3.3=40, 2517/2.1=8...(9) QG2 VAL 32 + QD1 ILE 7 OK 17 61 - 28 - 2.1/11584=7, 2.1/9075=4...(13) QD2 LEU 6 + QD1 ILE 7 OK 17 94 - 18 - 11612/4.7=4, 3.1/10954=3...(8) QG2 VAL 78 + QD1 ILE 7 OK 16 61 - 26 - 2.1/11581=9, 2.1/11617=4...(9) QD2 LEU 55 + QD1 ILE 7 OK 10 96 - 11 - 11136/2.1=4, ~11557=2...(4) HG13 ILE 18 - QD1 ILE 7 poor 9 77 - 11 - 2.1/11581=4, ~11580=2...(6) QG1 VAL 107 - QD1 ILE 7 lone 4 61 - 7 - 2.1/11584=2 QG2 ILE 54 - QD1 ILE 7 lone 2 100 - 2 - QD1 LEU 63 - QD1 ILE 7 lone 2 100 - 2 - QD2 LEU 14 - QD1 ILE 7 lone 1 61 - 2 - QD1 LEU 45 - QD1 ILE 7 lone 1 92 - 1 - QD2 LEU 45 - QD1 ILE 7 lone 1 61 - 1 - Peak 2525 from cnoeabs.peaks (1.46, 0.77, 14.16 ppm; 3.24 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 7 + QD1 ILE 7 OK 100 100 - 100 - 2.1=100 Peak 2526 from cnoeabs.peaks (1.25, 0.77, 14.16 ppm; 3.37 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 7 + QD1 ILE 7 OK 100 100 - 100 - 2.1=100 Peak 2527 from cnoeabs.peaks (0.77, 0.77, 14.16 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 7 + QD1 ILE 7 OK 100 100 - 100 Peak 2528 from cnoeabs.peaks (8.63, 5.90, 51.10 ppm; 4.92 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 8 + HA ASN 8 OK 100 100 - 100 - 3.0=100 Peak 2529 from cnoeabs.peaks (5.90, 5.90, 51.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 8 + HA ASN 8 OK 100 100 - 100 Peak 2530 from cnoeabs.peaks (2.89, 5.90, 51.10 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 8 + HA ASN 8 OK 100 100 - 100 - 3.0=100 Peak 2531 from cnoeabs.peaks (2.27, 5.90, 51.10 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 8 + HA ASN 8 OK 100 100 - 100 - 3.0=100 Peak 2532 from cnoeabs.peaks (7.37, 5.90, 51.10 ppm; 4.17 A): 1 out of 2 assignments used, quality = 0.89: * HD21 ASN 8 + HA ASN 8 OK 89 100 - 89 - 4.5=78, 1.7/829=37...(5) H TYR 76 - HA ASN 8 lone 4 100 - 4 - 11689/11688=2 Peak 2533 from cnoeabs.peaks (6.25, 5.90, 51.10 ppm; 4.84 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 8 + HA ASN 8 OK 100 100 - 100 - 4.5=100 Peak 2534 from cnoeabs.peaks (8.63, 2.89, 42.58 ppm; 4.71 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 8 + HB2 ASN 8 OK 100 100 - 100 - 4.0=100 Peak 2535 from cnoeabs.peaks (5.90, 2.89, 42.58 ppm; 4.67 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 8 + HB2 ASN 8 OK 100 100 - 100 - 3.0=100 Peak 2536 from cnoeabs.peaks (2.89, 2.89, 42.58 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 ASN 8 + HB2 ASN 8 OK 100 100 - 100 HE3 LYS 2 + HE3 LYS 2 OK 64 64 - 100 Peak 2537 from cnoeabs.peaks (2.27, 2.89, 42.58 ppm; 3.46 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 8 + HB2 ASN 8 OK 100 100 - 100 - 1.8=100 Peak 2538 from cnoeabs.peaks (7.37, 2.89, 42.58 ppm; 5.11 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 8 + HB2 ASN 8 OK 100 100 - 100 - 3.5=100 Peak 2540 from cnoeabs.peaks (8.63, 2.27, 42.58 ppm; 4.67 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 8 + HB3 ASN 8 OK 100 100 - 100 - 4.0=100 Peak 2541 from cnoeabs.peaks (5.90, 2.27, 42.58 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 8 + HB3 ASN 8 OK 100 100 - 100 - 3.0=100 Peak 2542 from cnoeabs.peaks (2.89, 2.27, 42.58 ppm; 3.37 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 8 + HB3 ASN 8 OK 100 100 - 100 - 1.8=100 Peak 2543 from cnoeabs.peaks (2.27, 2.27, 42.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 8 + HB3 ASN 8 OK 100 100 - 100 Peak 2544 from cnoeabs.peaks (7.37, 2.27, 42.58 ppm; 5.03 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 8 + HB3 ASN 8 OK 100 100 - 100 - 3.5=100 Peak 2545 from cnoeabs.peaks (6.25, 2.27, 42.58 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 8 + HB3 ASN 8 OK 100 100 - 100 - 3.5=100 Peak 2546 from cnoeabs.peaks (8.04, 4.74, 60.69 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H THR 9 + HA THR 9 OK 100 100 - 100 - 3.0=100 Peak 2547 from cnoeabs.peaks (4.74, 4.74, 60.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 9 + HA THR 9 OK 100 100 - 100 Peak 2548 from cnoeabs.peaks (4.32, 4.74, 60.69 ppm; 4.20 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 9 + HA THR 9 OK 100 100 - 100 - 3.0=100 Peak 2550 from cnoeabs.peaks (8.04, 4.32, 67.77 ppm; 5.65 A): 1 out of 1 assignment used, quality = 1.00: * H THR 9 + HB THR 9 OK 100 100 - 100 - 4.0=100 Peak 2551 from cnoeabs.peaks (4.74, 4.32, 67.77 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 9 + HB THR 9 OK 100 100 - 100 - 3.0=100 Peak 2552 from cnoeabs.peaks (4.32, 4.32, 67.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 9 + HB THR 9 OK 100 100 - 100 Peak 2553 from cnoeabs.peaks (0.86, 4.32, 67.77 ppm; 3.41 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 9 + HB THR 9 OK 100 100 - 100 - 2.1=100 Peak 2554 from cnoeabs.peaks (8.04, 0.86, 19.21 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * H THR 9 + QG2 THR 9 OK 100 100 - 100 - 3.9=100 Peak 2555 from cnoeabs.peaks (4.74, 0.86, 19.21 ppm; 4.20 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 9 + QG2 THR 9 OK 100 100 - 100 - 3.2=100 Peak 2556 from cnoeabs.peaks (4.32, 0.86, 19.21 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 9 + QG2 THR 9 OK 100 100 - 100 - 2.1=100 Peak 2557 from cnoeabs.peaks (0.86, 0.86, 19.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 9 + QG2 THR 9 OK 100 100 - 100 Peak 2558 from cnoeabs.peaks (8.44, 4.97, 51.84 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 10 + HA ASN 10 OK 100 100 - 100 - 3.0=100 Peak 2559 from cnoeabs.peaks (4.97, 4.97, 51.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 10 + HA ASN 10 OK 100 100 - 100 Peak 2560 from cnoeabs.peaks (2.91, 4.97, 51.84 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 10 + HA ASN 10 OK 100 100 - 100 - 3.0=100 Peak 2561 from cnoeabs.peaks (2.82, 4.97, 51.84 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 10 + HA ASN 10 OK 100 100 - 100 - 3.0=100 Peak 2563 from cnoeabs.peaks (6.93, 4.97, 51.84 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 10 + HA ASN 10 OK 100 100 - 100 - 4.4=100 Peak 2564 from cnoeabs.peaks (8.44, 2.91, 39.32 ppm; 4.36 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 10 + HB2 ASN 10 OK 100 100 - 100 - 4.0=100 Peak 2565 from cnoeabs.peaks (4.97, 2.91, 39.32 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 10 + HB2 ASN 10 OK 100 100 - 100 - 3.0=100 Peak 2566 from cnoeabs.peaks (2.91, 2.91, 39.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 10 + HB2 ASN 10 OK 100 100 - 100 Peak 2567 from cnoeabs.peaks (2.82, 2.91, 39.32 ppm; 2.84 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 10 + HB2 ASN 10 OK 100 100 - 100 - 1.8=100 Peak 2568 from cnoeabs.peaks (7.64, 2.91, 39.32 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 10 + HB2 ASN 10 OK 100 100 - 100 - 3.5=100 Peak 2569 from cnoeabs.peaks (6.93, 2.91, 39.32 ppm; 5.08 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 10 + HB2 ASN 10 OK 100 100 - 100 - 3.5=100 Peak 2570 from cnoeabs.peaks (8.44, 2.82, 39.32 ppm; 4.70 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 10 + HB3 ASN 10 OK 100 100 - 100 - 4.0=100 Peak 2571 from cnoeabs.peaks (4.97, 2.82, 39.32 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 10 + HB3 ASN 10 OK 100 100 - 100 - 3.0=100 Peak 2572 from cnoeabs.peaks (2.91, 2.82, 39.32 ppm; 2.82 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 10 + HB3 ASN 10 OK 100 100 - 100 - 1.8=100 Peak 2573 from cnoeabs.peaks (2.82, 2.82, 39.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 10 + HB3 ASN 10 OK 100 100 - 100 Peak 2574 from cnoeabs.peaks (7.64, 2.82, 39.32 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 10 + HB3 ASN 10 OK 100 100 - 100 - 3.5=100 Peak 2575 from cnoeabs.peaks (6.93, 2.82, 39.32 ppm; 5.07 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 10 + HB3 ASN 10 OK 100 100 - 100 - 3.5=100 Peak 2576 from cnoeabs.peaks (8.37, 4.69, 52.44 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 11 + HA ASN 11 OK 100 100 - 100 - 3.0=100 Peak 2577 from cnoeabs.peaks (4.69, 4.69, 52.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 11 + HA ASN 11 OK 100 100 - 100 Peak 2578 from cnoeabs.peaks (3.03, 4.69, 52.44 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 11 + HA ASN 11 OK 100 100 - 100 - 3.0=100 Peak 2579 from cnoeabs.peaks (2.74, 4.69, 52.44 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 11 + HA ASN 11 OK 100 100 - 100 - 3.0=100 Peak 2582 from cnoeabs.peaks (8.37, 3.03, 38.35 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 11 + HB2 ASN 11 OK 100 100 - 100 - 4.1=100 Peak 2583 from cnoeabs.peaks (4.69, 3.03, 38.35 ppm; 4.54 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 11 + HB2 ASN 11 OK 100 100 - 100 - 3.0=100 Peak 2584 from cnoeabs.peaks (3.03, 3.03, 38.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 11 + HB2 ASN 11 OK 100 100 - 100 Peak 2585 from cnoeabs.peaks (2.74, 3.03, 38.35 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 11 + HB2 ASN 11 OK 100 100 - 100 - 1.8=100 Peak 2586 from cnoeabs.peaks (7.33, 3.03, 38.35 ppm; 4.50 A): 2 out of 2 assignments used, quality = 1.00: * HD21 ASN 11 + HB2 ASN 11 OK 100 100 - 100 - 3.5=100 HD22 ASN 11 + HB2 ASN 11 OK 100 100 - 100 - 3.5=100 Peak 2588 from cnoeabs.peaks (8.37, 2.74, 38.35 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 11 + HB3 ASN 11 OK 100 100 - 100 - 4.1=100 Peak 2589 from cnoeabs.peaks (4.69, 2.74, 38.35 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 11 + HB3 ASN 11 OK 100 100 - 100 - 3.0=100 Peak 2590 from cnoeabs.peaks (3.03, 2.74, 38.35 ppm; 3.37 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 11 + HB3 ASN 11 OK 100 100 - 100 - 1.8=100 Peak 2591 from cnoeabs.peaks (2.74, 2.74, 38.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 11 + HB3 ASN 11 OK 100 100 - 100 Peak 2592 from cnoeabs.peaks (7.33, 2.74, 38.35 ppm; 4.13 A): 2 out of 2 assignments used, quality = 1.00: * HD21 ASN 11 + HB3 ASN 11 OK 100 100 - 100 - 3.5=100 HD22 ASN 11 + HB3 ASN 11 OK 100 100 - 100 - 3.5=100 Peak 2594 from cnoeabs.peaks (8.59, 4.27, 57.61 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 12 + HA ASP 12 OK 100 100 - 100 - 3.0=100 Peak 2595 from cnoeabs.peaks (4.27, 4.27, 57.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 12 + HA ASP 12 OK 100 100 - 100 Peak 2596 from cnoeabs.peaks (2.64, 4.27, 57.61 ppm; 3.28 A): 2 out of 2 assignments used, quality = 1.00: HB3 ASP 12 + HA ASP 12 OK 100 100 - 100 - 3.0=100 * HB2 ASP 12 + HA ASP 12 OK 100 100 - 100 - 3.0=100 Peak 2597 from cnoeabs.peaks (2.64, 4.27, 57.61 ppm; 3.28 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ASP 12 + HA ASP 12 OK 100 100 - 100 - 3.0=100 HB2 ASP 12 + HA ASP 12 OK 100 100 - 100 - 3.0=100 Peak 2598 from cnoeabs.peaks (8.59, 2.64, 41.16 ppm; 3.62 A): 2 out of 12 assignments used, quality = 0.98: H ASP 12 + HB3 ASP 12 OK 85 100 - 85 - 4.0=76, 1080/1.8=22...(5) * H ASP 12 + HB2 ASP 12 OK 85 100 - 85 - 4.0=76, 1080/1.8=22...(5) H ILE 71 - HB3 ASP 12 lone 1 87 - 1 - H ILE 71 - HB2 ASP 12 lone 1 87 - 1 - H ALA 124 - HB2 ASP 12 lone 1 77 - 1 - H ALA 124 - HB3 ASP 12 lone 1 77 - 1 - H LEU 80 - HB3 ASP 12 lone 1 77 - 1 - H LEU 80 - HB2 ASP 12 lone 1 77 - 1 - H THR 108 - HB3 ASP 12 lone 0 65 - 1 - H THR 108 - HB2 ASP 12 lone 0 65 - 1 - H LYS 94 - HB2 ASP 12 lone 0 57 - 1 - H LYS 94 - HB3 ASP 12 lone 0 57 - 1 - Peak 2599 from cnoeabs.peaks (4.27, 2.64, 41.16 ppm; 3.40 A): 2 out of 2 assignments used, quality = 1.00: HA ASP 12 + HB3 ASP 12 OK 100 100 - 100 - 3.0=100 * HA ASP 12 + HB2 ASP 12 OK 100 100 - 100 - 3.0=100 Peak 2600 from cnoeabs.peaks (2.64, 2.64, 41.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 ASP 12 + HB3 ASP 12 OK 100 100 - 100 * HB2 ASP 12 + HB2 ASP 12 OK 100 100 - 100 Peak 2601 from cnoeabs.peaks (2.64, 2.64, 41.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 ASP 12 + HB3 ASP 12 OK 100 100 - 100 HB2 ASP 12 + HB2 ASP 12 OK 100 100 - 100 Reference assignment not found: HB3 ASP 12 - HB2 ASP 12 Peak 2602 from cnoeabs.peaks (8.59, 2.64, 41.16 ppm; 3.62 A): 2 out of 12 assignments used, quality = 0.98: * H ASP 12 + HB3 ASP 12 OK 85 100 - 85 - 4.0=76, 1080/1.8=22...(5) H ASP 12 + HB2 ASP 12 OK 85 100 - 85 - 4.0=76, 1080/1.8=22...(5) H ILE 71 - HB3 ASP 12 lone 1 87 - 1 - H ILE 71 - HB2 ASP 12 lone 1 87 - 1 - H ALA 124 - HB2 ASP 12 lone 1 77 - 1 - H ALA 124 - HB3 ASP 12 lone 1 77 - 1 - H LEU 80 - HB3 ASP 12 lone 1 77 - 1 - H LEU 80 - HB2 ASP 12 lone 1 77 - 1 - H THR 108 - HB3 ASP 12 lone 0 65 - 1 - H THR 108 - HB2 ASP 12 lone 0 65 - 1 - H LYS 94 - HB2 ASP 12 lone 0 57 - 1 - H LYS 94 - HB3 ASP 12 lone 0 57 - 1 - Peak 2603 from cnoeabs.peaks (4.27, 2.64, 41.16 ppm; 3.40 A): 2 out of 2 assignments used, quality = 1.00: * HA ASP 12 + HB3 ASP 12 OK 100 100 - 100 - 3.0=100 HA ASP 12 + HB2 ASP 12 OK 100 100 - 100 - 3.0=100 Peak 2604 from cnoeabs.peaks (2.64, 2.64, 41.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 ASP 12 + HB3 ASP 12 OK 100 100 - 100 HB2 ASP 12 + HB2 ASP 12 OK 100 100 - 100 Reference assignment not found: HB2 ASP 12 - HB3 ASP 12 Peak 2605 from cnoeabs.peaks (2.64, 2.64, 41.16 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASP 12 + HB3 ASP 12 OK 100 100 - 100 HB2 ASP 12 + HB2 ASP 12 OK 100 100 - 100 Peak 2606 from cnoeabs.peaks (8.29, 4.03, 59.01 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 13 + HA GLU 13 OK 100 100 - 100 - 3.0=100 Peak 2607 from cnoeabs.peaks (4.03, 4.03, 59.01 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA GLU 13 + HA GLU 13 OK 100 100 - 100 HA GLU 66 + HA GLU 66 OK 96 96 - 100 HA LYS 123 + HA LYS 123 OK 74 74 - 100 HA GLU 92 + HA GLU 92 OK 61 61 - 100 Peak 2608 from cnoeabs.peaks (2.06, 4.03, 59.01 ppm; 2.72 A): 2 out of 56 assignments used, quality = 0.96: * HB2 GLU 13 + HA GLU 13 OK 92 100 - 92 - 3.0=75, 1.8/2609=18...(20) HB2 GLU 92 + HA GLU 92 OK 46 52 - 89 - 3.0=75, 5853/3.0=8...(26) HB3 GLU 91 - HA GLU 92 OK 20 62 - 32 - 7765/3.0=9, ~7764=4...(11) HB2 GLU 92 - HA GLU 13 OK 13 90 - 15 - 5854=2, 1084/3.0=2...(6) HB3 MET 67 - HA GLU 66 OK 13 70 - 19 - 1441/3.6=4, 4.6/2100=4...(9) HB2 GLU 13 - HA GLU 92 OK 12 64 - 18 - 2613=3, 3.0/2625=3...(6) HG2 GLU 119 - HA GLU 92 lone 5 50 - 10 - 1.8/6932=2, 6926=1, 576/3.0=1 HB2 GLU 92 - HA GLU 66 lone 4 83 - 5 - 5854=1 HB3 GLU 98 - HA GLU 13 lone 4 90 - 4 - HB2 LYS 94 - HA GLU 92 lone 3 61 - 6 - 4.4/2159=3, 576/3.0=1 HB3 MET 121 - HA LYS 123 lone 3 55 - 5 - 4.6/2231=3 HB3 GLN 100 - HA GLU 66 lone 3 67 - 4 - 1.8/8133=1 HB3 GLU 98 - HA GLU 66 lone 2 83 - 3 - HB2 LYS 94 - HA GLU 66 lone 2 93 - 2 - 4.4/2159=2 HB3 MET 67 - HA LYS 123 lone 2 50 - 4 - HB2 GLU 13 - HA GLU 66 lone 2 96 - 2 - HB3 GLU 112 - HA GLU 66 lone 2 55 - 3 - HB3 GLU 91 - HA GLU 13 lone 1 99 - 1 - HB3 GLN 100 - HA GLU 13 lone 1 73 - 2 - HB3 MET 121 - HA GLU 13 lone 1 84 - 2 - HB2 LYS 94 - HA GLU 13 lone 1 98 - 1 - HB3 MET 121 - HA GLU 66 lone 1 77 - 1 - HB2 LYS 94 - HA LYS 123 lone 1 70 - 1 - HB VAL 117 - HA GLU 66 lone 1 63 - 1 - HB3 PHE 79 - HA GLU 92 lone 1 52 - 2 - HG2 GLU 119 - HA GLU 13 lone 1 87 - 1 - HB2 GLU 13 - HA LYS 123 lone 1 74 - 1 - HB3 GLU 98 - HA GLU 92 lone 1 52 - 1 - HB3 MET 67 - HA GLU 13 lone 1 77 - 1 - HG2 GLU 119 - HA LYS 123 lone 1 58 - 1 - HB3 GLN 100 - HA GLU 92 lone 1 40 - 2 - HB2 GLU 47 - HA GLU 92 lone 1 58 - 1 - HB3 PHE 79 - HA GLU 13 lone 1 90 - 1 - HB2 GLU 47 - HA GLU 13 lone 1 96 - 1 - HB3 GLU 91 - HA LYS 123 lone 0 71 - 1 - HG2 GLU 119 - HA GLU 66 lone 0 80 - 1 - HB2 GLN 28 - HA GLU 13 lone 0 100 - 0 - HB3 GLU 91 - HA GLU 66 lone 0 94 - 0 - HB3 MET 67 - HA GLU 92 lone 0 43 - 1 - HB2 GLU 92 - HA LYS 123 lone 0 60 - 1 - HB VAL 117 - HA GLU 13 lone 0 70 - 1 - HB2 GLU 47 - HA GLU 66 lone 0 90 - 0 - HB3 GLU 112 - HA GLU 13 lone 0 61 - 1 - HB3 PHE 79 - HA GLU 66 lone 0 83 - 0 - HB3 MET 121 - HA GLU 92 lone 0 47 - 1 - HB2 GLN 28 - HA GLU 66 lone 0 96 - 0 - HB3 PHE 79 - HA LYS 123 lone 0 60 - 0 - HB3 GLN 100 - HA LYS 123 lone 0 47 - 1 - HB3 GLU 112 - HA LYS 123 lone 0 38 - 1 - HB2 GLU 47 - HA LYS 123 lone 0 66 - 0 - HB2 GLN 28 - HA GLU 92 lone 0 64 - 0 - HB2 GLN 28 - HA LYS 123 lone 0 73 - 0 - HB3 GLU 98 - HA LYS 123 lone 0 60 - 0 - HB3 GLU 112 - HA GLU 92 lone 0 32 - 1 - HB VAL 117 - HA LYS 123 lone 0 44 - 0 - HB VAL 117 - HA GLU 92 lone 0 38 - 0 - Peak 2609 from cnoeabs.peaks (2.16, 4.03, 59.01 ppm; 2.96 A): 1 out of 24 assignments used, quality = 0.99: * HB3 GLU 13 + HA GLU 13 OK 99 100 - 99 - 3.0=96, 1085/3.0=21...(22) HB3 GLU 13 - HA GLU 92 OK 13 64 - 20 - 3.0/2625=4, 1.8/2613=3...(4) HB2 GLN 62 - HA GLU 66 OK 11 91 - 12 - ~8108=6, ~2093=5 HB3 GLN 62 - HA GLU 66 OK 11 91 - 12 - ~8108=6, ~2093=5 HB2 GLN 85 - HA GLU 66 lone 6 77 - 8 - 3.0/10608=1, 3.0/10608=1 HB2 GLU 98 - HA GLU 13 lone 3 61 - 5 - HB3 GLU 13 - HA GLU 66 lone 2 96 - 2 - HB2 GLU 98 - HA GLU 66 lone 2 55 - 3 - HB2 GLN 85 - HA LYS 123 lone 2 55 - 3 - HB3 GLU 37 - HA GLU 13 lone 1 77 - 1 - HB3 GLN 62 - HA LYS 123 lone 1 68 - 2 - HB2 GLN 62 - HA LYS 123 lone 1 68 - 2 - HB2 GLN 62 - HA GLU 13 lone 1 97 - 1 - HB3 GLN 62 - HA GLU 13 lone 1 97 - 1 - HB2 GLN 85 - HA GLU 13 lone 1 84 - 1 - HB3 GLU 37 - HA GLU 66 lone 1 70 - 1 - HB3 GLU 13 - HA LYS 123 lone 1 74 - 1 - HB3 GLU 37 - HA GLU 92 lone 0 43 - 1 - HB2 GLU 98 - HA GLU 92 lone 0 32 - 1 - HB2 GLN 85 - HA GLU 92 lone 0 47 - 1 - HB3 GLN 62 - HA GLU 92 lone 0 59 - 0 - HB2 GLN 62 - HA GLU 92 lone 0 59 - 0 - HB3 GLU 37 - HA LYS 123 lone 0 50 - 0 - HB2 GLU 98 - HA LYS 123 lone 0 38 - 0 - Peak 2610 from cnoeabs.peaks (2.36, 4.03, 59.01 ppm; 3.44 A): 1 out of 20 assignments used, quality = 0.95: * HG2 GLU 13 + HA GLU 13 OK 95 100 - 95 - 4.1=59, 2627/3.0=30...(17) HG2 GLU 13 - HA GLU 92 OK 21 64 - 32 - 2625=10, 2626/3.0=5...(10) HB3 PHE 120 - HA LYS 123 poor 9 41 - 21 - ~8296=6, 2.4/4558=4...(8) HG2 GLU 98 - HA GLU 13 lone 5 73 - 7 - 2616/3.0=1, 1086/3.0=1 HG2 GLU 13 - HA GLU 66 lone 4 96 - 4 - 2625=1 HG3 GLN 100 - HA GLU 66 lone 3 85 - 4 - 3.0/8133=2 HB3 PHE 120 - HA GLU 66 lone 3 59 - 5 - ~11059=1, 2.4/4558=1 HG3 GLN 100 - HA GLU 13 lone 3 92 - 3 - HG2 GLU 98 - HA GLU 66 lone 3 67 - 4 - HB3 PHE 120 - HA GLU 13 lone 2 65 - 3 - HB3 TYR 27 - HA GLU 13 lone 1 90 - 2 - HG3 GLN 100 - HA GLU 92 lone 1 54 - 2 - HG2 GLU 13 - HA LYS 123 lone 1 74 - 1 - HB3 TYR 27 - HA GLU 66 lone 1 83 - 1 - HB3 PHE 120 - HA GLU 92 lone 1 35 - 2 - HB3 TYR 27 - HA LYS 123 lone 1 60 - 1 - HG2 GLU 98 - HA GLU 92 lone 1 40 - 2 - HG3 GLN 100 - HA LYS 123 lone 1 62 - 1 - HB3 TYR 27 - HA GLU 92 lone 0 52 - 0 - HG2 GLU 98 - HA LYS 123 lone 0 47 - 0 - Peak 2611 from cnoeabs.peaks (2.31, 4.03, 59.01 ppm; 3.20 A): 2 out of 32 assignments used, quality = 0.96: * HG3 GLU 13 + HA GLU 13 OK 92 100 - 92 - 4.1=48, 2633/3.0=24...(15) HG2 GLU 92 + HA GLU 92 OK 52 61 - 86 - 4.0=52, 5863/3.0=13...(25) HG3 GLU 89 - HA GLU 92 OK 30 64 - 46 - 2631=6, 1607/3.0=6...(18) HG2 GLU 92 - HA GLU 13 OK 19 98 - 20 - 1087/3.0=4, 2633/3.0=3...(8) HG3 GLU 13 - HA GLU 92 OK 17 64 - 27 - 1.8/2625=7, 2631=4...(10) HG3 GLU 89 - HA GLU 66 lone 9 96 - 9 - 2631=1, 1.8/5872=1 HG2 GLU 92 - HA GLU 66 lone 7 93 - 8 - 2631=1 HG3 GLU 89 - HA GLU 13 lone 6 100 - 6 - 1087/3.0=1 HG3 GLU 103 - HA GLU 92 poor 5 47 - 11 - 1607/3.0=2, 5863/3.0=1...(4) HG3 GLU 87 - HA GLU 66 lone 5 70 - 7 - 3.0/5704=2 HG2 GLU 87 - HA GLU 66 lone 5 70 - 7 - 3.0/5704=2 HG3 GLU 13 - HA GLU 66 lone 3 96 - 3 - HG3 GLU 48 - HA GLU 92 lone 2 56 - 4 - HG3 GLU 48 - HA GLU 13 lone 2 94 - 2 - HG3 GLU 87 - HA GLU 13 lone 1 77 - 2 - HG2 GLU 87 - HA GLU 13 lone 1 77 - 2 - HG3 GLU 87 - HA GLU 92 lone 1 43 - 3 - HG2 GLU 87 - HA GLU 92 lone 1 43 - 3 - HG3 GLU 48 - HA GLU 66 lone 1 88 - 1 - HG3 GLU 103 - HA GLU 13 lone 1 84 - 1 - HG3 GLU 103 - HA GLU 66 lone 1 77 - 1 - HG3 GLU 13 - HA LYS 123 lone 1 74 - 1 - HG3 GLU 89 - HA LYS 123 lone 1 74 - 1 - HG2 GLU 92 - HA LYS 123 lone 1 70 - 1 - HG2 GLU 47 - HA GLU 13 lone 1 77 - 1 - HG2 GLU 87 - HA LYS 123 lone 1 50 - 1 - HG3 GLU 87 - HA LYS 123 lone 1 50 - 1 - HG2 GLU 47 - HA GLU 92 lone 1 43 - 1 - HG2 GLU 47 - HA GLU 66 lone 0 70 - 1 - HG2 GLU 47 - HA LYS 123 lone 0 50 - 1 - HG3 GLU 103 - HA LYS 123 lone 0 55 - 1 - HG3 GLU 48 - HA LYS 123 lone 0 65 - 0 - Peak 2612 from cnoeabs.peaks (8.29, 2.06, 28.71 ppm; 3.46 A): 2 out of 6 assignments used, quality = 0.94: * H GLU 13 + HB2 GLU 13 OK 93 100 - 93 - 4.0=63, 1085/1.8=37...(13) H GLU 13 + HB2 GLU 92 OK 11 54 - 21 - 1084=7, 1087/3.0=5...(5) H LYS 77 - HB2 GLU 13 lone 9 100 - 9 - 2618/1.8=3, 2624/3.0=2...(4) H GLU 13 - HB3 GLU 91 lone 1 63 - 2 - H LYS 77 - HB3 GLU 91 lone 1 63 - 1 - H LYS 77 - HB2 GLU 92 lone 0 53 - 1 - Peak 2613 from cnoeabs.peaks (4.03, 2.06, 28.71 ppm; 2.90 A): 2 out of 36 assignments used, quality = 0.99: * HA GLU 13 + HB2 GLU 13 OK 98 100 - 98 - 3.0=91, 2609/1.8=20...(21) HA GLU 92 + HB2 GLU 92 OK 48 50 - 97 - 3.0=91, 5850/1.8=8...(32) HA GLU 92 - HB3 GLU 91 OK 20 59 - 34 - 3.0/576=8, ~7764=5...(11) HA GLU 92 - HB2 GLU 13 OK 19 98 - 20 - 2625/3.0=4, 2609/1.8=3...(6) HA GLU 13 - HB2 GLU 92 poor 9 54 - 17 - 2608=3, 3.0/1084=3...(8) HA GLU 66 - HB2 GLU 92 lone 3 54 - 6 - HA GLU 119 - HB2 GLU 92 lone 3 53 - 5 - HA GLU 66 - HB2 GLU 13 lone 2 100 - 2 - HA PHE 120 - HB2 GLU 13 lone 2 99 - 2 - HB3 SER 126 - HB2 GLU 92 lone 2 52 - 3 - HB2 SER 126 - HB2 GLU 92 lone 2 53 - 3 - HA GLU 119 - HB3 GLU 91 lone 1 63 - 2 - HA GLU 119 - HB2 GLU 13 lone 1 100 - 1 - HA PHE 120 - HB3 GLU 91 lone 1 61 - 2 - HA LYS 40 - HB2 GLU 13 lone 1 99 - 1 - HA GLU 87 - HB2 GLU 92 lone 1 46 - 3 - HA LYS 123 - HB2 GLU 13 lone 1 100 - 1 - HA GLU 13 - HB3 GLU 91 lone 1 63 - 2 - HA PHE 120 - HB2 GLU 92 lone 1 52 - 2 - HA GLU 87 - HB2 GLU 13 lone 1 94 - 1 - HB3 SER 126 - HB3 GLU 91 lone 1 61 - 1 - HA GLU 87 - HB3 GLU 91 lone 1 54 - 1 - HB2 SER 126 - HB3 GLU 91 lone 1 62 - 1 - HB2 SER 126 - HB2 GLU 13 lone 1 100 - 1 - HB3 SER 126 - HB2 GLU 13 lone 1 99 - 1 - HA3 GLY 101 - HB3 GLU 91 lone 1 36 - 1 - HA LYS 123 - HB3 GLU 91 lone 0 63 - 1 - HA LYS 40 - HB3 GLU 91 lone 0 61 - 1 - HA LYS 123 - HB2 GLU 92 lone 0 53 - 1 - HA3 GLY 101 - HB2 GLU 13 lone 0 70 - 1 - HA GLU 66 - HB3 GLU 91 lone 0 63 - 1 - HA3 GLY 75 - HB2 GLU 13 lone 0 81 - 0 - HA3 GLY 75 - HB3 GLU 91 lone 0 44 - 1 - HA LYS 40 - HB2 GLU 92 lone 0 52 - 0 - HA3 GLY 75 - HB2 GLU 92 lone 0 37 - 0 - HA3 GLY 101 - HB2 GLU 92 lone 0 30 - 0 - Peak 2614 from cnoeabs.peaks (2.06, 2.06, 28.71 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HB2 GLU 13 + HB2 GLU 13 OK 100 100 - 100 HB3 GLU 91 + HB3 GLU 91 OK 60 60 - 100 HB2 GLU 92 - HB2 GLU 92 OK 43 43 - 100 Peak 2615 from cnoeabs.peaks (2.16, 2.06, 28.71 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 13 + HB2 GLU 13 OK 100 100 - 100 - 1.8=100 Peak 2616 from cnoeabs.peaks (2.36, 2.06, 28.71 ppm; 2.75 A): 2 out of 15 assignments used, quality = 0.95: * HG2 GLU 13 + HB2 GLU 13 OK 94 100 - 94 - 3.0=78, 2627/1.8=30...(18) HG2 GLU 13 + HB2 GLU 92 OK 11 54 - 21 - 2626=7, 2625/3.0=3...(6) HG2 GLU 98 - HB2 GLU 13 lone 4 73 - 6 - HB3 PHE 120 - HB2 GLU 13 lone 2 65 - 2 - HG3 GLN 100 - HB2 GLU 13 lone 1 92 - 1 - HG2 GLU 13 - HB3 GLU 91 lone 1 63 - 2 - HB3 TYR 27 - HB2 GLU 13 lone 1 90 - 1 - HG2 GLU 98 - HB3 GLU 91 lone 1 39 - 2 - HG2 GLU 98 - HB2 GLU 92 lone 1 33 - 2 - HB3 PHE 120 - HB2 GLU 92 lone 0 28 - 2 - HG3 GLN 100 - HB2 GLU 92 lone 0 44 - 1 - HB3 PHE 120 - HB3 GLU 91 lone 0 34 - 1 - HB3 TYR 27 - HB2 GLU 92 lone 0 43 - 0 - HB3 TYR 27 - HB3 GLU 91 lone 0 50 - 0 - HG3 GLN 100 - HB3 GLU 91 lone 0 52 - 0 - Peak 2617 from cnoeabs.peaks (2.31, 2.06, 28.71 ppm; 2.72 A): 2 out of 24 assignments used, quality = 0.96: * HG3 GLU 13 + HB2 GLU 13 OK 93 100 - 93 - 3.0=76, 2633/1.8=27...(16) HG2 GLU 92 + HB2 GLU 92 OK 44 50 - 88 - 3.0=75, 5868/1.8=15...(19) HG2 GLU 92 - HB2 GLU 13 OK 16 98 - 17 - 2633/1.8=3, 2632=3...(6) HG3 GLU 89 - HB2 GLU 92 OK 15 53 - 29 - 5863/1.8=6, 2632=5...(11) HG3 GLU 13 - HB2 GLU 92 OK 10 54 - 19 - 1.8/2626=4, 5863/1.8=3...(8) HG2 GLU 92 - HB3 GLU 91 lone 5 59 - 9 - 1607/4.6=4, 4.0/2613=1, 2632=1 HG3 GLU 89 - HB2 GLU 13 lone 4 100 - 4 - HG3 GLU 89 - HB3 GLU 91 lone 3 63 - 4 - 1607/4.6=2 HG3 GLU 103 - HB2 GLU 92 lone 2 39 - 6 - 5863/1.8=1 HG2 GLU 47 - HB3 GLU 91 lone 2 41 - 4 - HG3 GLU 13 - HB3 GLU 91 lone 2 63 - 3 - 1607/4.6=1 HG3 GLU 48 - HB2 GLU 13 lone 1 94 - 1 - HG3 GLU 48 - HB2 GLU 92 lone 1 46 - 3 - HG2 GLU 87 - HB2 GLU 13 lone 1 77 - 1 - HG3 GLU 87 - HB2 GLU 13 lone 1 77 - 1 - HG3 GLU 103 - HB2 GLU 13 lone 1 84 - 1 - HG2 GLU 87 - HB2 GLU 92 lone 1 35 - 2 - HG3 GLU 87 - HB2 GLU 92 lone 1 35 - 2 - HG2 GLU 87 - HB3 GLU 91 lone 1 41 - 1 - HG3 GLU 87 - HB3 GLU 91 lone 1 41 - 1 - HG3 GLU 103 - HB3 GLU 91 lone 0 46 - 1 - HG2 GLU 47 - HB2 GLU 13 lone 0 77 - 0 - HG3 GLU 48 - HB3 GLU 91 lone 0 54 - 1 - HG2 GLU 47 - HB2 GLU 92 lone 0 35 - 1 - Peak 2618 from cnoeabs.peaks (8.29, 2.16, 28.71 ppm; 3.48 A): 1 out of 2 assignments used, quality = 0.93: * H GLU 13 + HB3 GLU 13 OK 93 100 - 93 - 4.0=65, 2612/1.8=29...(16) H LYS 77 - HB3 GLU 13 lone 10 100 - 9 - 2612/1.8=3, 2624/3.0=2...(4) Peak 2619 from cnoeabs.peaks (4.03, 2.16, 28.71 ppm; 3.24 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 13 + HB3 GLU 13 OK 100 100 - 100 - 3.0=100 Peak 2620 from cnoeabs.peaks (2.06, 2.16, 28.71 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 13 + HB3 GLU 13 OK 100 100 - 100 - 1.8=100 Peak 2621 from cnoeabs.peaks (2.16, 2.16, 28.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 13 + HB3 GLU 13 OK 100 100 - 100 Peak 2622 from cnoeabs.peaks (2.36, 2.16, 28.71 ppm; 3.12 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 13 + HB3 GLU 13 OK 100 100 - 100 - 3.0=100 Peak 2623 from cnoeabs.peaks (2.31, 2.16, 28.71 ppm; 3.01 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 13 + HB3 GLU 13 OK 100 100 - 100 - 3.0=100 Peak 2624 from cnoeabs.peaks (8.29, 2.36, 36.01 ppm; 3.69 A): 1 out of 2 assignments used, quality = 0.91: * H GLU 13 + HG2 GLU 13 OK 91 100 - 91 - 1086=44, 1085/3.0=31...(15) H LYS 77 - HG2 GLU 13 lone 10 100 - 9 - 2618/3.0=3, 2630/1.8=3 Peak 2625 from cnoeabs.peaks (4.03, 2.36, 36.01 ppm; 3.36 A): 1 out of 12 assignments used, quality = 0.94: * HA GLU 13 + HG2 GLU 13 OK 94 100 - 94 - 4.1=55, 3.0/2627=29...(17) HA GLU 92 - HG2 GLU 13 OK 28 98 - 29 - 2610=6, 3.0/2626=4...(10) HA GLU 66 - HG2 GLU 13 lone 3 100 - 3 - 2610=1 HA LYS 40 - HG2 GLU 13 lone 2 99 - 2 - HA GLU 87 - HG2 GLU 13 lone 1 94 - 1 - HA LYS 123 - HG2 GLU 13 lone 1 100 - 1 - HA PHE 120 - HG2 GLU 13 lone 1 99 - 1 - HA GLU 119 - HG2 GLU 13 lone 1 100 - 1 - HB2 SER 126 - HG2 GLU 13 lone 1 100 - 1 - HB3 SER 126 - HG2 GLU 13 lone 1 99 - 1 - HA3 GLY 101 - HG2 GLU 13 lone 1 70 - 1 - HA3 GLY 75 - HG2 GLU 13 lone 0 81 - 0 - Peak 2626 from cnoeabs.peaks (2.06, 2.36, 36.01 ppm; 2.75 A): 2 out of 14 assignments used, quality = 0.95: * HB2 GLU 13 + HG2 GLU 13 OK 94 100 - 94 - 3.0=78, 1.8/2627=30...(18) HB2 GLU 92 + HG2 GLU 13 OK 18 90 - 20 - 2616=5, 3.0/2625=3...(6) HB3 GLU 98 - HG2 GLU 13 lone 4 90 - 5 - 1.8/2627=1 HB3 GLU 91 - HG2 GLU 13 lone 2 99 - 2 - HB3 GLN 100 - HG2 GLU 13 lone 1 73 - 1 - HG2 GLU 119 - HG2 GLU 13 lone 1 87 - 1 - HB2 LYS 94 - HG2 GLU 13 lone 1 98 - 1 - HB3 PHE 79 - HG2 GLU 13 lone 1 90 - 1 - HB3 MET 121 - HG2 GLU 13 lone 1 84 - 1 - HB2 GLN 28 - HG2 GLU 13 lone 0 100 - 0 - HB2 GLU 47 - HG2 GLU 13 lone 0 96 - 0 - HB VAL 117 - HG2 GLU 13 lone 0 70 - 0 - HB3 MET 67 - HG2 GLU 13 lone 0 77 - 0 - HB3 GLU 112 - HG2 GLU 13 lone 0 61 - 0 - Peak 2627 from cnoeabs.peaks (2.16, 2.36, 36.01 ppm; 2.77 A): 1 out of 6 assignments used, quality = 0.95: * HB3 GLU 13 + HG2 GLU 13 OK 95 100 - 95 - 3.0=79, 2633/1.8=28...(20) HB2 GLU 98 - HG2 GLU 13 lone 3 61 - 5 - 1.8/2626=1 HB2 GLN 85 - HG2 GLU 13 lone 1 84 - 1 - HB3 GLN 62 - HG2 GLU 13 lone 1 97 - 1 - HB2 GLN 62 - HG2 GLU 13 lone 1 97 - 1 - HB3 GLU 37 - HG2 GLU 13 lone 1 77 - 1 - Peak 2628 from cnoeabs.peaks (2.36, 2.36, 36.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 13 + HG2 GLU 13 OK 100 100 - 100 Peak 2629 from cnoeabs.peaks (2.31, 2.36, 36.01 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 13 + HG2 GLU 13 OK 100 100 - 100 - 1.8=100 Peak 2630 from cnoeabs.peaks (8.29, 2.31, 36.01 ppm; 3.85 A): 3 out of 10 assignments used, quality = 0.95: * H GLU 13 + HG3 GLU 13 OK 92 100 - 92 - 5.0=46, 2624/1.8=35...(13) H GLU 13 + HG2 GLU 92 OK 25 96 - 27 - 1087=9, 1084/3.0=4...(7) H LYS 77 + HG3 GLU 13 OK 11 100 - 11 - 2624/1.8=4, 2618/3.0=3 H GLU 13 - HG3 GLU 89 lone 7 100 - 7 - 1087=3, 4.6/67=1 H GLU 13 - HG3 GLU 48 lone 3 87 - 3 - H LYS 77 - HG2 GLU 92 lone 1 96 - 1 - H GLU 13 - HG3 GLU 103 lone 1 43 - 2 - H LYS 77 - HG3 GLU 89 lone 1 100 - 1 - H LYS 77 - HG3 GLU 48 lone 0 87 - 0 - H LYS 77 - HG3 GLU 103 lone 0 43 - 1 - Peak 2631 from cnoeabs.peaks (4.03, 2.31, 36.01 ppm; 3.04 A): 2 out of 60 assignments used, quality = 0.97: * HA GLU 13 + HG3 GLU 13 OK 88 100 - 88 - 4.1=41, 3.0/2633=22...(15) HA GLU 92 + HG2 GLU 92 OK 75 92 - 82 - 4.0=44, 3.0/5863=12...(25) HA GLU 92 - HG3 GLU 89 OK 42 98 - 43 - 5852/1.8=6, 5851=6...(16) HA GLU 92 - HG3 GLU 13 OK 23 98 - 24 - 2625/1.8=6, 5851=3...(10) HA GLU 13 - HG2 GLU 92 OK 17 96 - 18 - 3.0/1087=4, 2611=3...(7) HA GLU 87 - HG3 GLU 89 OK 10 94 - 11 - 2130/5.2=2, ~7834=1...(5) HA GLU 66 - HG3 GLU 89 lone 8 100 - 8 - 2611=1 HA GLU 66 - HG2 GLU 92 lone 7 96 - 7 - 2611=1 HA GLU 119 - HG2 GLU 92 lone 6 96 - 7 - 3.0/5863=1, 3.0/5863=1 HA GLU 13 - HG3 GLU 89 lone 6 100 - 6 - 3.0/1087=1, 2611=1 HA GLU 92 - HG3 GLU 103 poor 5 40 - 12 - 5852/1.8=2, 5851=2...(5) HA GLU 92 - HG3 GLU 48 lone 3 83 - 4 - HB3 SER 126 - HG2 GLU 92 lone 3 94 - 3 - HA GLU 87 - HG2 GLU 92 lone 3 87 - 3 - HB2 SER 126 - HG2 GLU 92 lone 3 95 - 3 - HA GLU 66 - HG3 GLU 13 lone 3 100 - 3 - HA GLU 119 - HG3 GLU 89 lone 3 100 - 2 - HA GLU 13 - HG3 GLU 48 lone 2 87 - 2 - HA PHE 120 - HG2 GLU 92 lone 1 94 - 2 - HA GLU 87 - HG3 GLU 13 lone 1 94 - 1 - HA GLU 119 - HG3 GLU 13 lone 1 100 - 1 - HA LYS 40 - HG3 GLU 13 lone 1 99 - 1 - HA PHE 120 - HG3 GLU 13 lone 1 99 - 1 - HA LYS 123 - HG3 GLU 13 lone 1 100 - 1 - HA GLU 66 - HG3 GLU 48 lone 1 87 - 1 - HA LYS 123 - HG3 GLU 89 lone 1 100 - 1 - HB2 SER 126 - HG3 GLU 13 lone 1 100 - 1 - HB3 SER 126 - HG3 GLU 13 lone 1 99 - 1 - HB3 SER 126 - HG3 GLU 89 lone 1 99 - 1 - HA GLU 119 - HG3 GLU 103 lone 1 43 - 2 - HB2 SER 126 - HG3 GLU 89 lone 1 100 - 1 - HA LYS 123 - HG2 GLU 92 lone 1 96 - 1 - HA PHE 120 - HG3 GLU 89 lone 1 99 - 1 - HA LYS 40 - HG3 GLU 103 lone 1 42 - 1 - HA GLU 66 - HG3 GLU 103 lone 1 43 - 1 - HA3 GLY 101 - HG3 GLU 13 lone 0 70 - 1 - HA GLU 13 - HG3 GLU 103 lone 0 43 - 1 - HA GLU 87 - HG3 GLU 103 lone 0 37 - 1 - HA LYS 40 - HG3 GLU 89 lone 0 99 - 0 - HA LYS 40 - HG2 GLU 92 lone 0 94 - 0 - HA GLU 119 - HG3 GLU 48 lone 0 87 - 0 - HA GLU 87 - HG3 GLU 48 lone 0 77 - 0 - HA LYS 123 - HG3 GLU 48 lone 0 87 - 0 - HA PHE 120 - HG3 GLU 103 lone 0 42 - 1 - HA3 GLY 75 - HG3 GLU 13 lone 0 81 - 0 - HA LYS 123 - HG3 GLU 103 lone 0 43 - 1 - HB2 SER 126 - HG3 GLU 48 lone 0 86 - 0 - HB3 SER 126 - HG3 GLU 48 lone 0 85 - 0 - HA3 GLY 101 - HG3 GLU 89 lone 0 69 - 0 - HA PHE 120 - HG3 GLU 48 lone 0 85 - 0 - HA LYS 40 - HG3 GLU 48 lone 0 85 - 0 - HA3 GLY 75 - HG2 GLU 92 lone 0 73 - 0 - HA3 GLY 75 - HG3 GLU 89 lone 0 80 - 0 - HA3 GLY 101 - HG2 GLU 92 lone 0 62 - 0 - HA3 GLY 75 - HG3 GLU 48 lone 0 64 - 0 - HB3 SER 126 - HG3 GLU 103 lone 0 42 - 0 - HB2 SER 126 - HG3 GLU 103 lone 0 42 - 0 - HA3 GLY 101 - HG3 GLU 48 lone 0 54 - 0 - HA3 GLY 75 - HG3 GLU 103 lone 0 29 - 0 - HA3 GLY 101 - HG3 GLU 103 lone 0 24 - 0 - Peak 2632 from cnoeabs.peaks (2.06, 2.31, 36.01 ppm; 2.40 A): 2 out of 70 assignments used, quality = 0.93: * HB2 GLU 13 + HG3 GLU 13 OK 82 100 - 82 - 3.0=52, 1.8/2633=22...(16) HB2 GLU 92 + HG2 GLU 92 OK 59 82 - 73 - 3.0=51, 5858/1.8=13...(13) HB2 GLU 92 - HG3 GLU 89 OK 24 89 - 27 - 5858/1.8=5, 1.8/5863=5...(9) HB2 GLU 92 - HG3 GLU 13 OK 13 90 - 15 - 2626/1.8=4, 5857=2...(5) HB2 GLU 13 - HG2 GLU 92 OK 12 96 - 13 - 2617=3, 1.8/2633=3, 4.0/1087=1 HB3 GLU 91 - HG2 GLU 92 lone 5 93 - 5 - 7765/4.8=3 HB2 GLU 13 - HG3 GLU 89 lone 4 100 - 4 - HB2 GLU 47 - HG3 GLU 48 lone 3 79 - 4 - 7528/5.1=4 HG2 GLU 119 - HG2 GLU 92 lone 3 79 - 4 - HB3 GLU 98 - HG3 GLU 13 lone 3 90 - 3 - HB3 PHE 79 - HG3 GLU 103 lone 3 34 - 8 - ~10206=3, ~10212=3, ~10208=2 HB3 GLU 91 - HG3 GLU 89 lone 3 99 - 3 - 4.6/1607=2 HB3 GLU 91 - HG3 GLU 13 lone 2 99 - 2 - HB2 GLU 92 - HG3 GLU 103 lone 2 34 - 6 - 1.8/5863=1 HB2 GLU 92 - HG3 GLU 48 lone 2 72 - 2 - HB2 GLU 13 - HG3 GLU 48 lone 1 87 - 1 - HG2 GLU 119 - HG3 GLU 89 lone 1 87 - 1 - HB3 PHE 79 - HG3 GLU 89 lone 1 89 - 1 - HB3 GLU 98 - HG3 GLU 89 lone 1 89 - 1 - HB2 LYS 94 - HG2 GLU 92 lone 1 92 - 1 - HB3 GLU 98 - HG2 GLU 92 lone 1 82 - 1 - HB3 PHE 79 - HG2 GLU 92 lone 1 82 - 1 - HG2 GLU 119 - HG3 GLU 13 lone 1 87 - 1 - HB3 GLN 100 - HG3 GLU 13 lone 1 73 - 1 - HB2 LYS 94 - HG3 GLU 13 lone 1 98 - 1 - HB3 MET 121 - HG3 GLU 13 lone 0 84 - 1 - HB2 GLU 47 - HG3 GLU 89 lone 0 95 - 0 - HB3 PHE 79 - HG3 GLU 13 lone 0 90 - 0 - HB3 GLN 100 - HG2 GLU 92 lone 0 66 - 1 - HB2 GLU 47 - HG3 GLU 13 lone 0 96 - 0 - HB2 GLU 47 - HG2 GLU 92 lone 0 89 - 0 - HB3 GLN 100 - HG3 GLU 89 lone 0 73 - 1 - HB2 LYS 94 - HG3 GLU 89 lone 0 98 - 0 - HB3 GLU 91 - HG3 GLU 48 lone 0 84 - 0 - HB3 GLU 112 - HG3 GLU 89 lone 0 61 - 1 - HB3 MET 121 - HG3 GLU 89 lone 0 84 - 0 - HB2 GLN 28 - HG3 GLU 13 lone 0 100 - 0 - HB3 MET 121 - HG2 GLU 92 lone 0 76 - 0 - HB VAL 117 - HG3 GLU 13 lone 0 70 - 0 - HB3 GLU 91 - HG3 GLU 103 lone 0 41 - 1 - HB2 GLU 13 - HG3 GLU 103 lone 0 43 - 1 - HB3 MET 67 - HG3 GLU 13 lone 0 77 - 0 - HB3 GLU 112 - HG2 GLU 92 lone 0 55 - 0 - HB3 MET 67 - HG3 GLU 89 lone 0 77 - 0 - HB3 GLU 112 - HG3 GLU 13 lone 0 61 - 0 - HB2 GLN 28 - HG2 GLU 92 lone 0 95 - 0 - HB2 GLN 28 - HG3 GLU 89 lone 0 100 - 0 - HB3 GLU 98 - HG3 GLU 48 lone 0 72 - 0 - HB3 MET 67 - HG2 GLU 92 lone 0 70 - 0 - HB2 LYS 94 - HG3 GLU 48 lone 0 83 - 0 - HB2 GLN 28 - HG3 GLU 48 lone 0 86 - 0 - HG2 GLU 119 - HG3 GLU 48 lone 0 70 - 0 - HB VAL 117 - HG3 GLU 89 lone 0 69 - 0 - HG2 GLU 119 - HG3 GLU 103 lone 0 32 - 0 - HB VAL 117 - HG2 GLU 92 lone 0 62 - 0 - HB3 GLU 112 - HG3 GLU 48 lone 0 47 - 0 - HB3 PHE 79 - HG3 GLU 48 lone 0 72 - 0 - HB3 MET 121 - HG3 GLU 48 lone 0 67 - 0 - HB3 MET 67 - HG3 GLU 48 lone 0 61 - 0 - HB3 GLN 100 - HG3 GLU 48 lone 0 57 - 0 - HB VAL 117 - HG3 GLU 48 lone 0 54 - 0 - HB2 LYS 94 - HG3 GLU 103 lone 0 40 - 0 - HB2 GLU 47 - HG3 GLU 103 lone 0 38 - 0 - HB3 GLU 98 - HG3 GLU 103 lone 0 34 - 0 - HB2 GLN 28 - HG3 GLU 103 lone 0 42 - 0 - HB3 GLU 112 - HG3 GLU 103 lone 0 21 - 0 - HB3 GLN 100 - HG3 GLU 103 lone 0 26 - 0 - HB3 MET 121 - HG3 GLU 103 lone 0 31 - 0 - HB3 MET 67 - HG3 GLU 103 lone 0 27 - 0 - HB VAL 117 - HG3 GLU 103 lone 0 24 - 0 - Peak 2633 from cnoeabs.peaks (2.16, 2.31, 36.01 ppm; 2.55 A): 2 out of 30 assignments used, quality = 0.89: * HB3 GLU 13 + HG3 GLU 13 OK 87 100 - 87 - 3.0=62, 2627/1.8=26...(16) HB3 GLU 13 + HG2 GLU 92 OK 11 96 - 12 - 1.8/2617=2, 4.0/1087=2...(4) HB3 GLU 13 - HG3 GLU 89 lone 3 100 - 3 - HB2 GLU 98 - HG3 GLU 13 lone 2 61 - 4 - HB3 GLU 13 - HG3 GLU 48 lone 1 87 - 1 - HB2 GLU 98 - HG3 GLU 89 lone 1 61 - 1 - HB2 GLN 85 - HG3 GLU 13 lone 1 84 - 1 - HB2 GLN 85 - HG3 GLU 89 lone 1 84 - 1 - HB2 GLN 62 - HG3 GLU 13 lone 1 97 - 1 - HB3 GLN 62 - HG3 GLU 13 lone 1 97 - 1 - HB3 GLU 37 - HG3 GLU 13 lone 0 77 - 1 - HB2 GLU 98 - HG2 GLU 92 lone 0 55 - 1 - HB3 GLU 37 - HG3 GLU 89 lone 0 77 - 1 - HB3 GLU 37 - HG2 GLU 92 lone 0 70 - 1 - HB2 GLN 85 - HG2 GLU 92 lone 0 76 - 0 - HB3 GLN 62 - HG3 GLU 89 lone 0 97 - 0 - HB2 GLN 62 - HG3 GLU 89 lone 0 97 - 0 - HB3 GLU 13 - HG3 GLU 103 lone 0 43 - 1 - HB2 GLN 62 - HG2 GLU 92 lone 0 90 - 0 - HB3 GLN 62 - HG2 GLU 92 lone 0 90 - 0 - HB2 GLN 85 - HG3 GLU 48 lone 0 67 - 0 - HB2 GLN 62 - HG3 GLU 48 lone 0 81 - 0 - HB3 GLN 62 - HG3 GLU 48 lone 0 81 - 0 - HB2 GLU 98 - HG3 GLU 48 lone 0 47 - 0 - HB3 GLU 37 - HG3 GLU 48 lone 0 61 - 0 - HB2 GLN 62 - HG3 GLU 103 lone 0 39 - 0 - HB3 GLN 62 - HG3 GLU 103 lone 0 39 - 0 - HB2 GLN 85 - HG3 GLU 103 lone 0 31 - 0 - HB3 GLU 37 - HG3 GLU 103 lone 0 27 - 0 - HB2 GLU 98 - HG3 GLU 103 lone 0 21 - 0 - Peak 2634 from cnoeabs.peaks (2.36, 2.31, 36.01 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 13 + HG3 GLU 13 OK 100 100 - 100 - 1.8=100 Peak 2635 from cnoeabs.peaks (2.31, 2.31, 36.01 ppm; diagonal): 4 out of 5 assignments used, quality = 1.00: * HG3 GLU 13 + HG3 GLU 13 OK 100 100 - 100 HG3 GLU 89 + HG3 GLU 89 OK 100 100 - 100 HG2 GLU 92 + HG2 GLU 92 OK 92 92 - 100 HG3 GLU 48 + HG3 GLU 48 OK 77 77 - 100 HG3 GLU 103 - HG3 GLU 103 OK 31 31 - 100 Peak 2636 from cnoeabs.peaks (7.58, 3.98, 57.26 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 14 + HA LEU 14 OK 100 100 - 100 - 3.0=100 Peak 2637 from cnoeabs.peaks (3.98, 3.98, 57.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 14 + HA LEU 14 OK 100 100 - 100 Peak 2638 from cnoeabs.peaks (1.82, 3.98, 57.26 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 14 + HA LEU 14 OK 100 100 - 100 - 3.0=100 Peak 2639 from cnoeabs.peaks (1.50, 3.98, 57.26 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 14 + HA LEU 14 OK 100 100 - 100 - 3.0=100 Peak 2640 from cnoeabs.peaks (1.38, 3.98, 57.26 ppm; 4.20 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 14 + HA LEU 14 OK 100 100 - 100 - 3.7=100 Peak 2641 from cnoeabs.peaks (0.86, 3.98, 57.26 ppm; 3.22 A): 5 out of 11 assignments used, quality = 0.89: * QD1 LEU 14 + HA LEU 14 OK 71 100 - 71 - 4.0=51, 2664/3.0=12...(10) QG2 ILE 15 + HA LEU 14 OK 32 87 - 36 - 3.2/9163=9, 73/3.6=6...(10) QG2 THR 9 + HA LEU 14 OK 28 99 - 28 - 9125/3.6=11, 10756/3.7=9...(5) HG13 ILE 5 + HA LEU 14 OK 13 84 - 15 - 2.1/9063=5, ~11330=2...(6) QG2 VAL 22 + HA LEU 14 OK 11 99 - 11 - 2.1/7977=3, 2.1/9164=1...(5) QG2 ILE 5 - HA LEU 14 poor 9 65 - 14 - 3.0/9063=4, ~9165=1...(5) QG2 VAL 117 - HA LEU 14 lone 5 98 - 5 - 10524/9196=1 HG13 ILE 57 - HA LEU 14 lone 4 100 - 4 - 73/3.6=2 QG2 VAL 107 - HA LEU 14 lone 4 94 - 4 - QG2 ILE 57 - HA LEU 14 lone 2 61 - 4 - 1098/3.6=1 QG1 VAL 32 - HA LEU 14 lone 1 96 - 1 - Peak 2642 from cnoeabs.peaks (0.76, 3.98, 57.26 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 14 + HA LEU 14 OK 100 100 - 100 - 4.0=100 Peak 2643 from cnoeabs.peaks (7.58, 1.82, 40.10 ppm; 4.29 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 14 + HB2 LEU 14 OK 100 100 - 100 - 4.0=100 Peak 2644 from cnoeabs.peaks (3.98, 1.82, 40.10 ppm; 4.94 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 14 + HB2 LEU 14 OK 100 100 - 100 - 3.0=100 Peak 2645 from cnoeabs.peaks (1.82, 1.82, 40.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 14 + HB2 LEU 14 OK 100 100 - 100 Peak 2646 from cnoeabs.peaks (1.50, 1.82, 40.10 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 14 + HB2 LEU 14 OK 100 100 - 100 - 1.8=100 Peak 2647 from cnoeabs.peaks (1.38, 1.82, 40.10 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 14 + HB2 LEU 14 OK 100 100 - 100 - 3.0=100 Peak 2648 from cnoeabs.peaks (0.86, 1.82, 40.10 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 14 + HB2 LEU 14 OK 100 100 - 100 - 3.1=100 Peak 2649 from cnoeabs.peaks (0.76, 1.82, 40.10 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 14 + HB2 LEU 14 OK 100 100 - 100 - 3.1=100 Peak 2650 from cnoeabs.peaks (7.58, 1.50, 40.10 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 14 + HB3 LEU 14 OK 100 100 - 100 - 4.0=100 Peak 2651 from cnoeabs.peaks (3.98, 1.50, 40.10 ppm; 4.51 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 14 + HB3 LEU 14 OK 100 100 - 100 - 3.0=100 Peak 2652 from cnoeabs.peaks (1.82, 1.50, 40.10 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 14 + HB3 LEU 14 OK 100 100 - 100 - 1.8=100 Peak 2653 from cnoeabs.peaks (1.50, 1.50, 40.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 14 + HB3 LEU 14 OK 100 100 - 100 Peak 2654 from cnoeabs.peaks (1.38, 1.50, 40.10 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 14 + HB3 LEU 14 OK 100 100 - 100 - 3.0=100 Peak 2655 from cnoeabs.peaks (0.86, 1.50, 40.10 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 14 + HB3 LEU 14 OK 100 100 - 100 - 3.1=100 Peak 2656 from cnoeabs.peaks (0.76, 1.50, 40.10 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 14 + HB3 LEU 14 OK 100 100 - 100 - 3.1=100 Peak 2657 from cnoeabs.peaks (7.58, 1.38, 27.05 ppm; 5.77 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 14 + HG LEU 14 OK 100 100 - 100 - 5.3=100 Peak 2658 from cnoeabs.peaks (3.98, 1.38, 27.05 ppm; 4.95 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 14 + HG LEU 14 OK 100 100 - 100 - 3.7=100 Peak 2659 from cnoeabs.peaks (1.82, 1.38, 27.05 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 14 + HG LEU 14 OK 100 100 - 100 - 3.0=100 Peak 2660 from cnoeabs.peaks (1.50, 1.38, 27.05 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 14 + HG LEU 14 OK 100 100 - 100 - 3.0=100 Peak 2661 from cnoeabs.peaks (1.38, 1.38, 27.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 14 + HG LEU 14 OK 100 100 - 100 Peak 2662 from cnoeabs.peaks (0.86, 1.38, 27.05 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 14 + HG LEU 14 OK 100 100 - 100 - 2.1=100 Peak 2663 from cnoeabs.peaks (0.76, 1.38, 27.05 ppm; 3.19 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 14 + HG LEU 14 OK 100 100 - 100 - 2.1=100 Peak 2664 from cnoeabs.peaks (7.58, 0.86, 22.48 ppm; 4.07 A): 2 out of 3 assignments used, quality = 0.98: * H LEU 14 + QD1 LEU 14 OK 96 100 - 96 - 4.3=82, 1092/2.1=24...(12) H LYS 17 + QD1 LEU 14 OK 50 98 - 51 - 4.9/11676=11...(12) HE21 GLN 25 - QD1 LEU 14 lone 2 81 - 3 - Peak 2665 from cnoeabs.peaks (3.98, 0.86, 22.48 ppm; 3.20 A): 3 out of 6 assignments used, quality = 0.84: * HA LEU 14 + QD1 LEU 14 OK 71 100 - 71 - 4.0=50, 3.0/2664=12...(10) HA LYS 17 + QD1 LEU 14 OK 38 97 - 39 - 3.9/11676=9, 3.9/11517=8...(9) HA GLU 112 + QD1 LEU 14 OK 13 87 - 15 - 3.0/7357=5, ~7358=3...(6) HA GLU 111 - QD1 LEU 14 lone 10 100 - 10 - 3.6/7357=4, 10386/10910=2 HB2 SER 99 - QD1 LEU 14 lone 1 90 - 1 - HB3 SER 99 - QD1 LEU 14 lone 1 90 - 1 - Peak 2666 from cnoeabs.peaks (1.82, 0.86, 22.48 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 14 + QD1 LEU 14 OK 100 100 - 100 - 3.1=100 Peak 2667 from cnoeabs.peaks (1.50, 0.86, 22.48 ppm; 3.31 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 14 + QD1 LEU 14 OK 100 100 - 100 - 3.1=100 Peak 2668 from cnoeabs.peaks (1.38, 0.86, 22.48 ppm; 3.00 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 14 + QD1 LEU 14 OK 100 100 - 100 - 2.1=100 Peak 2669 from cnoeabs.peaks (0.86, 0.86, 22.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 14 + QD1 LEU 14 OK 100 100 - 100 Peak 2670 from cnoeabs.peaks (0.76, 0.86, 22.48 ppm; 2.45 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 14 + QD1 LEU 14 OK 100 100 - 100 - 2.1=100 Peak 2671 from cnoeabs.peaks (7.58, 0.76, 24.53 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 14 + QD2 LEU 14 OK 100 100 - 100 - 4.3=100 Peak 2672 from cnoeabs.peaks (3.98, 0.76, 24.53 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 14 + QD2 LEU 14 OK 100 100 - 100 - 4.0=100 Peak 2673 from cnoeabs.peaks (1.82, 0.76, 24.53 ppm; 3.35 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 14 + QD2 LEU 14 OK 100 100 - 100 - 3.1=100 Peak 2674 from cnoeabs.peaks (1.50, 0.76, 24.53 ppm; 3.31 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 14 + QD2 LEU 14 OK 100 100 - 100 - 3.1=100 Peak 2675 from cnoeabs.peaks (1.38, 0.76, 24.53 ppm; 2.90 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 14 + QD2 LEU 14 OK 100 100 - 100 - 2.1=100 Peak 2676 from cnoeabs.peaks (0.86, 0.76, 24.53 ppm; 2.61 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 14 + QD2 LEU 14 OK 100 100 - 100 - 2.1=100 Peak 2677 from cnoeabs.peaks (0.76, 0.76, 24.53 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 14 + QD2 LEU 14 OK 100 100 - 100 Peak 2678 from cnoeabs.peaks (8.24, 3.22, 66.59 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 15 + HA ILE 15 OK 100 100 - 100 - 2.9=100 Peak 2679 from cnoeabs.peaks (3.22, 3.22, 66.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 15 + HA ILE 15 OK 100 100 - 100 Peak 2680 from cnoeabs.peaks (1.92, 3.22, 66.59 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 15 + HA ILE 15 OK 100 100 - 100 - 3.0=100 Peak 2681 from cnoeabs.peaks (0.85, 3.22, 66.59 ppm; 3.37 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 15 + HA ILE 15 OK 100 100 - 100 - 3.2=100 Peak 2682 from cnoeabs.peaks (1.73, 3.22, 66.59 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 15 + HA ILE 15 OK 100 100 - 100 - 3.9=100 Peak 2683 from cnoeabs.peaks (0.64, 3.22, 66.59 ppm; 3.59 A): 1 out of 6 assignments used, quality = 0.95: * HG13 ILE 15 + HA ILE 15 OK 95 100 - 95 - 3.9=77, 2.1/2714=19...(16) QD1 ILE 5 - HA ILE 15 OK 16 87 - 18 - 1100/2.9=5, 2.1/11658=2...(8) QG1 VAL 22 - HA ILE 15 lone 9 100 - 9 - 1100/2.9=2, 10865/7985=1 QD1 ILE 54 - HA ILE 15 lone 8 100 - 8 - 1100/2.9=3 QD1 LEU 4 - HA ILE 15 lone 4 98 - 4 - 80/3.6=1 QD1 ILE 71 - HA ILE 15 lone 1 65 - 1 - Peak 2684 from cnoeabs.peaks (0.76, 3.22, 66.59 ppm; 3.58 A): 2 out of 11 assignments used, quality = 0.96: * QD1 ILE 15 + HA ILE 15 OK 92 100 - 92 - 4.2=64, 2.1/2683=24...(14) QD2 LEU 14 + HA ILE 15 OK 53 100 - 53 - 7358/2.9=12, ~7357=9...(11) QD1 ILE 7 - HA ILE 15 lone 7 100 - 7 - 11584/11097=1 QG2 ILE 54 - HA ILE 15 lone 4 65 - 6 - 3.1/2683=2 QD1 LEU 45 - HA ILE 15 lone 4 92 - 4 - QG1 VAL 107 - HA ILE 15 lone 3 100 - 3 - QG2 VAL 32 - HA ILE 15 lone 2 100 - 2 - QD1 LEU 82 - HA ILE 15 lone 2 81 - 2 - QD2 LEU 80 - HA ILE 15 lone 1 87 - 1 - QD1 LEU 80 - HA ILE 15 lone 1 90 - 1 - QD2 LEU 64 - HA ILE 15 lone 0 61 - 1 - Peak 2685 from cnoeabs.peaks (8.24, 1.92, 37.42 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 15 + HB ILE 15 OK 100 100 - 100 - 3.8=100 Peak 2686 from cnoeabs.peaks (3.22, 1.92, 37.42 ppm; 4.70 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 15 + HB ILE 15 OK 100 100 - 100 - 3.0=100 Peak 2687 from cnoeabs.peaks (1.92, 1.92, 37.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 15 + HB ILE 15 OK 100 100 - 100 Peak 2688 from cnoeabs.peaks (0.85, 1.92, 37.42 ppm; 3.17 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 15 + HB ILE 15 OK 100 100 - 100 - 2.1=100 Peak 2689 from cnoeabs.peaks (1.73, 1.92, 37.42 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 15 + HB ILE 15 OK 100 100 - 100 - 2.9=100 Peak 2690 from cnoeabs.peaks (0.64, 1.92, 37.42 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 15 + HB ILE 15 OK 100 100 - 100 - 2.9=100 Peak 2691 from cnoeabs.peaks (0.76, 1.92, 37.42 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 15 + HB ILE 15 OK 100 100 - 100 - 3.2=100 Peak 2692 from cnoeabs.peaks (8.24, 0.85, 17.08 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 15 + QG2 ILE 15 OK 100 100 - 100 - 4.1=100 Peak 2693 from cnoeabs.peaks (3.22, 0.85, 17.08 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 15 + QG2 ILE 15 OK 100 100 - 100 - 3.2=100 Peak 2694 from cnoeabs.peaks (1.92, 0.85, 17.08 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 15 + QG2 ILE 15 OK 100 100 - 100 - 2.1=100 Peak 2695 from cnoeabs.peaks (0.85, 0.85, 17.08 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG2 ILE 15 + QG2 ILE 15 OK 100 100 - 100 QG2 ILE 5 + QG2 ILE 5 OK 91 91 - 100 Peak 2696 from cnoeabs.peaks (1.73, 0.85, 17.08 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 15 + QG2 ILE 15 OK 100 100 - 100 - 3.2=100 Peak 2697 from cnoeabs.peaks (0.64, 0.85, 17.08 ppm; 2.89 A): 2 out of 12 assignments used, quality = 0.96: * HG13 ILE 15 + QG2 ILE 15 OK 86 100 - 86 - 3.2=74, 2.1/2716=19...(10) QD1 ILE 5 + QG2 ILE 5 OK 74 78 - 95 - 3.0=93, 2439/2.1=10...(6) QD1 LEU 4 - QG2 ILE 5 OK 22 91 - 24 - 7313/4.0=8, 10728/3.2=3...(7) QD1 ILE 5 - QG2 ILE 15 poor 10 87 - 11 - 1100/4.1=2, 2683/3.2=2, ~11658=1 QD1 ILE 54 - QG2 ILE 5 lone 9 95 - 9 - 2.1/10941=2, 13/4.0=2 QG1 VAL 22 - QG2 ILE 5 lone 7 95 - 7 - QG1 VAL 22 - QG2 ILE 15 lone 6 100 - 6 - 2683/3.2=1 QD1 ILE 54 - QG2 ILE 15 lone 6 100 - 6 - 1100/4.1=1, 2683/3.2=1 HG13 ILE 15 - QG2 ILE 5 lone 5 95 - 5 - 2.1/2716=1 QD1 LEU 4 - QG2 ILE 15 lone 3 98 - 3 - QD1 ILE 71 - QG2 ILE 15 lone 1 65 - 1 - QD1 ILE 71 - QG2 ILE 5 lone 1 58 - 1 - Peak 2698 from cnoeabs.peaks (0.76, 0.85, 17.08 ppm; 2.69 A): 4 out of 22 assignments used, quality = 0.91: * QD1 ILE 15 + QG2 ILE 15 OK 84 100 - 84 - 3.0=75, 2.1/2697=10...(10) QD2 LEU 14 + QG2 ILE 15 OK 23 100 - 23 - 7358/4.1=5, 2684/3.2=4...(10) QD1 ILE 7 + QG2 ILE 5 OK 18 94 - 20 - 11581/3.0=4, 2.1/10941=4...(7) QD2 LEU 14 + QG2 ILE 5 OK 12 95 - 12 - ~11519=4, ~11652=2, ~11651=2 QD1 ILE 15 - QG2 ILE 5 lone 5 95 - 5 - 2716=2 QD1 ILE 7 - QG2 ILE 15 lone 5 100 - 5 - QD1 LEU 80 - QG2 ILE 5 lone 4 81 - 6 - 9940/4.4=4 QG2 ILE 54 - QG2 ILE 5 lone 3 58 - 5 - 3.2/10941=1 QD1 LEU 45 - QG2 ILE 15 lone 2 92 - 2 - QG2 VAL 32 - QG2 ILE 15 lone 2 100 - 2 - QG1 VAL 107 - QG2 ILE 15 lone 2 100 - 2 - QG2 ILE 54 - QG2 ILE 15 lone 2 65 - 3 - QD1 LEU 82 - QG2 ILE 15 lone 2 81 - 2 - QD2 LEU 80 - QG2 ILE 15 lone 1 87 - 1 - QD1 LEU 80 - QG2 ILE 15 lone 1 90 - 1 - QD2 LEU 80 - QG2 ILE 5 lone 1 78 - 1 - QD1 LEU 45 - QG2 ILE 5 lone 1 84 - 1 - QG2 VAL 32 - QG2 ILE 5 lone 1 95 - 1 - QG1 VAL 107 - QG2 ILE 5 lone 1 95 - 1 - QD1 LEU 82 - QG2 ILE 5 lone 1 72 - 1 - QD2 LEU 64 - QG2 ILE 15 lone 0 61 - 1 - QD2 LEU 64 - QG2 ILE 5 lone 0 54 - 0 - Peak 2699 from cnoeabs.peaks (8.24, 1.73, 30.33 ppm; 4.17 A): 2 out of 3 assignments used, quality = 0.95: * H ILE 15 + HG12 ILE 15 OK 94 100 - 94 - 5.0=59, 2713/2.1=32...(12) H GLU 112 + HG12 ILE 15 OK 15 99 - 15 - 2713/2.1=6, 2706/1.8=5 H GLU 89 - HG12 ILE 15 lone 1 70 - 2 - Peak 2700 from cnoeabs.peaks (3.22, 1.73, 30.33 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 15 + HG12 ILE 15 OK 100 100 - 100 - 3.9=100 Peak 2701 from cnoeabs.peaks (1.92, 1.73, 30.33 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 15 + HG12 ILE 15 OK 100 100 - 100 - 2.9=100 Peak 2702 from cnoeabs.peaks (0.85, 1.73, 30.33 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 15 + HG12 ILE 15 OK 100 100 - 100 - 3.2=100 Peak 2703 from cnoeabs.peaks (1.73, 1.73, 30.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 15 + HG12 ILE 15 OK 100 100 - 100 Peak 2704 from cnoeabs.peaks (0.64, 1.73, 30.33 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 15 + HG12 ILE 15 OK 100 100 - 100 - 1.8=100 Peak 2705 from cnoeabs.peaks (0.76, 1.73, 30.33 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 15 + HG12 ILE 15 OK 100 100 - 100 - 2.1=100 Peak 2706 from cnoeabs.peaks (8.24, 0.64, 30.33 ppm; 4.77 A): 1 out of 3 assignments used, quality = 0.99: * H ILE 15 + HG13 ILE 15 OK 99 100 - 99 - 5.0=88, 2699/1.8=39...(16) H GLU 112 - HG13 ILE 15 OK 18 99 - 18 - 2713/2.1=7, 2699/1.8=6 H GLU 89 - HG13 ILE 15 lone 2 70 - 3 - Peak 2707 from cnoeabs.peaks (3.22, 0.64, 30.33 ppm; 4.67 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 15 + HG13 ILE 15 OK 100 100 - 100 - 3.9=100 Peak 2708 from cnoeabs.peaks (1.92, 0.64, 30.33 ppm; 5.04 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 15 + HG13 ILE 15 OK 100 100 - 100 - 2.9=100 Peak 2709 from cnoeabs.peaks (0.85, 0.64, 30.33 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 15 + HG13 ILE 15 OK 100 100 - 100 - 3.2=100 Peak 2710 from cnoeabs.peaks (1.73, 0.64, 30.33 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 15 + HG13 ILE 15 OK 100 100 - 100 - 1.8=100 Peak 2711 from cnoeabs.peaks (0.64, 0.64, 30.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 15 + HG13 ILE 15 OK 100 100 - 100 Peak 2712 from cnoeabs.peaks (0.76, 0.64, 30.33 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 15 + HG13 ILE 15 OK 100 100 - 100 - 2.1=100 Peak 2713 from cnoeabs.peaks (8.24, 0.76, 13.07 ppm; 3.91 A): 2 out of 3 assignments used, quality = 0.92: * H ILE 15 + QD1 ILE 15 OK 90 100 - 90 - 5.0=46, 1099/2.1=31...(10) H GLU 112 + QD1 ILE 15 OK 16 99 - 16 - 2699/2.1=4, 2706/2.1=4, 10400=2 H GLU 89 - QD1 ILE 15 lone 1 70 - 2 - Peak 2714 from cnoeabs.peaks (3.22, 0.76, 13.07 ppm; 4.13 A): 1 out of 4 assignments used, quality = 1.00: * HA ILE 15 + QD1 ILE 15 OK 100 100 - 100 - 4.2=99, 2683/2.1=30...(14) HB2 PHE 120 - QD1 ILE 15 OK 43 100 - 43 - 10563/2.1=8, ~10556=7...(16) HD2 ARG 95 - QD1 ILE 15 lone 1 100 - 1 - HD3 ARG 95 - QD1 ILE 15 lone 1 99 - 1 - Peak 2715 from cnoeabs.peaks (1.92, 0.76, 13.07 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 15 + QD1 ILE 15 OK 100 100 - 100 - 3.2=100 Peak 2716 from cnoeabs.peaks (0.85, 0.76, 13.07 ppm; 2.74 A): 3 out of 9 assignments used, quality = 0.91: * QG2 ILE 15 + QD1 ILE 15 OK 87 100 - 87 - 3.0=79, 2697/2.1=10...(10) QG2 THR 9 + QD1 ILE 15 OK 18 73 - 25 - 9116/2.1=6, 9118/2.1=5...(8) QD1 LEU 14 + QD1 ILE 15 OK 15 87 - 18 - 11652/2.1=4, 7357/5.0=4...(6) QG2 ILE 57 - QD1 ILE 15 lone 6 97 - 6 - 11687/4.2=3, ~9556=1 QG2 ILE 5 - QD1 ILE 15 lone 5 98 - 5 - 2698=1 HG13 ILE 5 - QD1 ILE 15 lone 4 100 - 4 - HG13 ILE 57 - QD1 ILE 15 lone 4 87 - 4 - ~9556=2, 11535/3.2=1 QG2 VAL 117 - QD1 ILE 15 lone 2 65 - 4 - 3.2/11195=2 QG2 VAL 22 - QD1 ILE 15 lone 1 97 - 1 - Peak 2717 from cnoeabs.peaks (1.73, 0.76, 13.07 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 15 + QD1 ILE 15 OK 100 100 - 100 - 2.1=100 Peak 2718 from cnoeabs.peaks (0.64, 0.76, 13.07 ppm; 3.03 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 15 + QD1 ILE 15 OK 100 100 - 100 - 2.1=100 Peak 2719 from cnoeabs.peaks (0.76, 0.76, 13.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 15 + QD1 ILE 15 OK 100 100 - 100 Peak 2720 from cnoeabs.peaks (7.60, 3.84, 60.17 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 16 + HA LYS 16 OK 100 100 - 100 - 3.0=100 Peak 2721 from cnoeabs.peaks (3.84, 3.84, 60.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 16 + HA LYS 16 OK 100 100 - 100 Peak 2722 from cnoeabs.peaks (1.88, 3.84, 60.17 ppm; 3.04 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 16 + HA LYS 16 OK 100 100 - 100 - 3.0=100 HB3 LYS 16 + HA LYS 16 OK 100 100 - 100 - 3.0=100 Peak 2723 from cnoeabs.peaks (1.88, 3.84, 60.17 ppm; 3.04 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 16 + HA LYS 16 OK 100 100 - 100 - 3.0=100 HB2 LYS 16 + HA LYS 16 OK 100 100 - 100 - 3.0=100 Peak 2724 from cnoeabs.peaks (1.63, 3.84, 60.17 ppm; 3.55 A): 1 out of 12 assignments used, quality = 0.97: * HG2 LYS 16 + HA LYS 16 OK 97 100 - 97 - 3.8=83, 1.8/2761=30...(31) HG3 LYS 40 - HA LYS 16 OK 34 97 - 36 - 1.8/2725=5, 1106/3.0=5...(12) HB2 LEU 82 - HA LYS 16 lone 6 98 - 6 - 1106/3.0=1, 86/3.6=1 HB3 LEU 64 - HA LYS 16 lone 5 100 - 5 - 1.8/7989=2 HD2 LYS 77 - HA LYS 16 lone 4 100 - 4 - 3.6/7991=1, 3.6/7991=1 HD3 LYS 77 - HA LYS 16 lone 4 99 - 4 - 3.6/7991=1, 3.6/7991=1 HG LEU 64 - HA LYS 16 lone 3 77 - 4 - 3.0/7989=1 HB ILE 116 - HA LYS 16 lone 3 100 - 3 - HB ILE 5 - HA LYS 16 lone 2 61 - 3 - HG LEU 63 - HA LYS 16 lone 2 97 - 2 - HG LEU 90 - HA LYS 16 lone 1 87 - 2 - HB3 LEU 127 - HA LYS 16 lone 1 81 - 1 - Peak 2725 from cnoeabs.peaks (1.40, 3.84, 60.17 ppm; 3.71 A): 1 out of 7 assignments used, quality = 0.99: * HG3 LYS 16 + HA LYS 16 OK 99 100 - 99 - 3.8=95, 1.8/2724=23...(31) HG2 LYS 40 - HA LYS 16 OK 24 70 - 35 - 1.8/2724=8, ~1106=3...(11) HB3 LEU 114 - HA LYS 16 OK 12 100 - 12 - 87/3.6=4, 1107/3.0=3, ~79=2 HG LEU 14 - HA LYS 16 poor 7 65 - 11 - ~81=3, 1107/3.0=3...(5) QB ALA 113 - HA LYS 16 lone 4 81 - 5 - 10408/3.0=2, 87/3.6=1 HG3 LYS 106 - HA LYS 16 lone 2 98 - 2 - HB3 LEU 68 - HA LYS 16 lone 1 77 - 1 - Peak 2726 from cnoeabs.peaks (1.69, 3.84, 60.17 ppm; 3.49 A): 2 out of 23 assignments used, quality = 0.98: * HD2 LYS 16 + HA LYS 16 OK 86 100 - 86 - 5.2=30, 2.9/2761=22...(39) HD3 LYS 16 + HA LYS 16 OK 85 100 - 86 - 5.2=30, 2.9/2761=22...(39) HD2 LYS 40 - HA LYS 16 OK 38 99 - 39 - 2.9/2724=6, 2.9/2725=4...(15) HD3 LYS 40 - HA LYS 16 OK 38 99 - 39 - 2.9/2724=6, 2.9/2725=4...(15) HD3 LYS 73 - HA LYS 16 OK 17 100 - 17 - 3.0/11217=3, ~7671=2...(5) HD2 LYS 73 - HA LYS 16 OK 16 100 - 16 - 3.0/11217=3, ~7671=2...(5) HD2 LYS 17 - HA LYS 16 OK 14 99 - 14 - 2860/3.6=9, 459/3.0=1 HD3 LYS 20 - HA LYS 16 OK 14 100 - 14 - 6.2/7993=6, 1118/3.6=2 HD2 LYS 20 - HA LYS 16 OK 14 100 - 14 - 6.2/7993=6, 1118/3.6=2 HG LEU 74 - HA LYS 16 poor 8 65 - 13 - ~5241=3, ~5248=2...(6) HD3 LYS 43 - HA LYS 16 lone 4 100 - 4 - 5.9/2056=2 HD2 LYS 43 - HA LYS 16 lone 4 97 - 4 - 5.9/2056=2 HD2 LYS 44 - HA LYS 16 lone 3 77 - 4 - HD3 LYS 44 - HA LYS 16 lone 3 70 - 4 - HB ILE 56 - HA LYS 16 lone 3 100 - 3 - 4.4/7988=1 HD3 LYS 96 - HA LYS 16 lone 2 100 - 2 - HD2 LYS 96 - HA LYS 16 lone 2 99 - 2 - HG12 ILE 71 - HA LYS 16 lone 2 96 - 2 - HG3 ARG 95 - HA LYS 16 lone 2 92 - 2 - HG3 LYS 123 - HA LYS 16 lone 2 84 - 2 - HG3 LYS 39 - HA LYS 16 lone 1 84 - 2 - HB ILE 54 - HA LYS 16 lone 1 99 - 1 - HD3 LYS 39 - HA LYS 16 lone 1 61 - 1 - Peak 2727 from cnoeabs.peaks (1.69, 3.84, 60.17 ppm; 3.49 A): 2 out of 24 assignments used, quality = 0.98: * HD3 LYS 16 + HA LYS 16 OK 86 100 - 86 - 5.2=30, 2.9/2761=22...(39) HD2 LYS 16 + HA LYS 16 OK 85 100 - 86 - 5.2=30, 2.9/2761=22...(39) HD2 LYS 40 - HA LYS 16 OK 37 97 - 39 - 2.9/2724=6, 2.9/2725=4...(15) HD3 LYS 40 - HA LYS 16 OK 37 96 - 39 - 2.9/2724=6, 2.9/2725=4...(15) HD3 LYS 73 - HA LYS 16 OK 17 99 - 17 - 3.0/11217=3, ~7671=2...(5) HD2 LYS 73 - HA LYS 16 OK 16 99 - 16 - 3.0/11217=3, ~7671=2...(5) HD2 LYS 20 - HA LYS 16 OK 14 100 - 14 - 6.2/7993=6, 89/3.6=2 HD3 LYS 20 - HA LYS 16 OK 14 100 - 14 - 6.2/7993=6, 89/3.6=2 HD2 LYS 17 - HA LYS 16 OK 13 96 - 14 - 2860/3.6=9, 459/3.0=1 HG LEU 74 - HA LYS 16 OK 10 77 - 13 - ~5241=3, 5234/3.0=2...(6) HD3 LYS 43 - HA LYS 16 lone 4 99 - 4 - 5.9/2056=2 HD2 LYS 43 - HA LYS 16 lone 4 92 - 4 - 5.9/2056=2 HD2 LYS 44 - HA LYS 16 lone 4 87 - 4 - HD3 LYS 44 - HA LYS 16 lone 4 81 - 4 - HB ILE 56 - HA LYS 16 lone 3 100 - 3 - 4.4/7988=1 HD3 LYS 96 - HA LYS 16 lone 2 98 - 2 - HD2 LYS 96 - HA LYS 16 lone 2 96 - 2 - HG12 ILE 71 - HA LYS 16 lone 2 99 - 2 - HG3 ARG 95 - HA LYS 16 lone 2 84 - 2 - HG3 LYS 123 - HA LYS 16 lone 2 92 - 2 - HG3 LYS 39 - HA LYS 16 lone 2 92 - 2 - HB ILE 54 - HA LYS 16 lone 1 97 - 1 - HD3 LYS 39 - HA LYS 16 lone 1 73 - 1 - HD2 LYS 39 - HA LYS 16 lone 1 70 - 1 - Peak 2730 from cnoeabs.peaks (7.60, 1.88, 32.16 ppm; 3.12 A): 3 out of 35 assignments used, quality = 0.96: * H LYS 16 + HB2 LYS 16 OK 74 100 - 74 - 4.0=46, 2750/3.0=14...(10) H LYS 16 + HB3 LYS 16 OK 74 100 - 74 - 4.0=46, 2750/3.0=14...(10) H LEU 74 + HB3 LYS 73 OK 32 60 - 54 - 4.3=37, 452/4.0=10...(7) H LEU 74 - HB2 LYS 16 OK 14 99 - 14 - 2750/3.0=3, 2760/3.0=3...(6) H LEU 74 - HB3 LYS 16 OK 14 99 - 14 - 2750/3.0=3, 2760/3.0=3...(6) H LYS 16 - HB3 LYS 73 poor 9 63 - 14 - 7671/2.9=4, 452/4.0=3...(5) H LYS 115 - HB2 LYS 16 lone 6 84 - 6 - 2760/3.0=1, 3.0/8264=1 H LYS 115 - HB3 LYS 16 lone 5 84 - 6 - 2760/3.0=1, 2750/3.0=1 H LYS 16 - HB3 LYS 20 lone 3 65 - 5 - 4.6/85=2 H LYS 16 - HB2 LYS 20 lone 3 65 - 5 - 4.6/85=2 H LEU 74 - HB3 LYS 20 lone 3 62 - 4 - H LEU 74 - HB2 LYS 20 lone 3 62 - 4 - H ASP 34 - HB2 LYS 16 lone 2 87 - 2 - H ASP 34 - HB3 LYS 16 lone 2 87 - 2 - HE ARG 105 - HB2 LYS 16 lone 1 99 - 1 - HE ARG 105 - HB3 LYS 16 lone 1 99 - 1 - H LYS 115 - HB3 LYS 73 lone 1 46 - 2 - H ASP 34 - HB3 LYS 73 lone 1 48 - 1 - H LYS 115 - HB3 LYS 20 lone 1 48 - 1 - H LYS 115 - HB2 LYS 20 lone 1 48 - 1 - HE ARG 105 - HB3 LYS 73 lone 0 60 - 1 - H GLN 100 - HB2 LYS 16 lone 0 61 - 1 - H GLN 100 - HB3 LYS 16 lone 0 61 - 1 - H GLN 100 - HB3 LYS 20 lone 0 33 - 1 - H GLN 100 - HB2 LYS 20 lone 0 33 - 1 - H GLN 100 - HB3 LYS 73 lone 0 31 - 1 - H ASP 34 - HB2 LYS 20 lone 0 50 - 1 - H ASP 34 - HB3 LYS 20 lone 0 50 - 1 - HE21 GLN 85 - HB2 LYS 16 lone 0 57 - 0 - HE21 GLN 85 - HB3 LYS 16 lone 0 57 - 0 - HE ARG 105 - HB2 LYS 20 lone 0 62 - 0 - HE ARG 105 - HB3 LYS 20 lone 0 62 - 0 - HE21 GLN 85 - HB3 LYS 73 lone 0 29 - 1 - HE21 GLN 85 - HB2 LYS 20 lone 0 30 - 0 - HE21 GLN 85 - HB3 LYS 20 lone 0 30 - 0 - Peak 2731 from cnoeabs.peaks (3.84, 1.88, 32.16 ppm; 3.23 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 16 + HB2 LYS 16 OK 100 100 - 100 - 3.0=100 HA LYS 16 + HB3 LYS 16 OK 100 100 - 100 - 3.0=100 Peak 2732 from cnoeabs.peaks (1.88, 1.88, 32.16 ppm; diagonal): 4 out of 5 assignments used, quality = 1.00: * HB2 LYS 16 + HB2 LYS 16 OK 100 100 - 100 HB3 LYS 16 + HB3 LYS 16 OK 100 100 - 100 HB3 LYS 20 + HB3 LYS 20 OK 55 55 - 100 HB2 LYS 20 + HB2 LYS 20 OK 55 55 - 100 HB3 LYS 73 - HB3 LYS 73 OK 44 44 - 100 Peak 2733 from cnoeabs.peaks (1.88, 1.88, 32.16 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HB2 LYS 16 + HB2 LYS 16 OK 100 100 - 100 HB3 LYS 16 + HB3 LYS 16 OK 100 100 - 100 HB3 LYS 20 + HB3 LYS 20 OK 56 56 - 100 HB2 LYS 20 + HB2 LYS 20 OK 56 56 - 100 HB3 LYS 73 + HB3 LYS 73 OK 46 46 - 100 Reference assignment not found: HB3 LYS 16 - HB2 LYS 16 Peak 2734 from cnoeabs.peaks (1.63, 1.88, 32.16 ppm; 2.82 A): 2 out of 60 assignments used, quality = 1.00: * HG2 LYS 16 + HB2 LYS 16 OK 94 100 - 94 - 3.0=87, 2724/3.0=10...(26) HG2 LYS 16 + HB3 LYS 16 OK 94 100 - 94 - 3.0=87, 2724/3.0=10...(26) HG3 LYS 40 - HB2 LYS 16 OK 23 97 - 24 - 2724/3.0=4, 1106/4.0=2...(9) HG3 LYS 40 - HB3 LYS 16 OK 23 97 - 24 - 2724/3.0=4, 1106/4.0=2...(9) HG3 LYS 40 - HB3 LYS 20 lone 5 60 - 8 - HG3 LYS 40 - HB2 LYS 20 lone 5 60 - 8 - HG2 LYS 16 - HB3 LYS 20 lone 3 65 - 5 - HG2 LYS 16 - HB2 LYS 20 lone 3 65 - 5 - HG2 LYS 16 - HB3 LYS 73 lone 3 63 - 4 - 2750/4.3=2 HB2 LEU 82 - HB2 LYS 16 lone 3 98 - 3 - HB2 LEU 82 - HB3 LYS 16 lone 3 98 - 3 - HG3 LYS 40 - HB3 LYS 73 lone 2 57 - 4 - HB3 LEU 64 - HB2 LYS 16 lone 2 100 - 2 - HB3 LEU 64 - HB3 LYS 16 lone 2 100 - 2 - HB ILE 116 - HB2 LYS 16 lone 2 100 - 1 - HB ILE 116 - HB3 LYS 16 lone 1 100 - 1 - HG LEU 63 - HB2 LYS 20 lone 1 60 - 2 - 4730/4.6=1 HG LEU 63 - HB3 LYS 20 lone 1 60 - 2 - 4730/4.6=1 HD2 LYS 77 - HB2 LYS 16 lone 1 100 - 1 - HD2 LYS 77 - HB3 LYS 16 lone 1 100 - 1 - HD3 LYS 77 - HB3 LYS 16 lone 1 99 - 1 - HD3 LYS 77 - HB2 LYS 16 lone 1 99 - 1 - HG LEU 64 - HB2 LYS 16 lone 1 77 - 1 - HG LEU 64 - HB3 LYS 16 lone 1 77 - 1 - HG LEU 63 - HB2 LYS 16 lone 1 97 - 1 - HG LEU 63 - HB3 LYS 16 lone 1 97 - 1 - HB ILE 5 - HB2 LYS 16 lone 1 61 - 1 - HB ILE 5 - HB3 LYS 16 lone 1 61 - 1 - HG LEU 90 - HB2 LYS 16 lone 1 87 - 1 - HG LEU 90 - HB3 LYS 16 lone 1 87 - 1 - HB3 LEU 64 - HB2 LYS 20 lone 0 65 - 1 - HB3 LEU 64 - HB3 LYS 20 lone 0 65 - 1 - HB3 LEU 127 - HB2 LYS 16 lone 0 81 - 0 - HB3 LEU 127 - HB3 LYS 16 lone 0 80 - 0 - HB ILE 116 - HB3 LYS 73 lone 0 62 - 0 - HB2 LEU 82 - HB3 LYS 73 lone 0 59 - 0 - HB3 LEU 64 - HB3 LYS 73 lone 0 62 - 0 - HG LEU 63 - HB3 LYS 73 lone 0 57 - 0 - HB ILE 116 - HB2 LYS 20 lone 0 64 - 0 - HB ILE 116 - HB3 LYS 20 lone 0 64 - 0 - HG LEU 90 - HB3 LYS 20 lone 0 50 - 0 - HG LEU 90 - HB2 LYS 20 lone 0 50 - 0 - HB2 LEU 82 - HB3 LYS 20 lone 0 61 - 0 - HB2 LEU 82 - HB2 LYS 20 lone 0 61 - 0 - HB3 LEU 127 - HB3 LYS 73 lone 0 44 - 0 - HG LEU 64 - HB3 LYS 20 lone 0 43 - 0 - HG LEU 64 - HB2 LYS 20 lone 0 43 - 0 - HD2 LYS 77 - HB3 LYS 73 lone 0 62 - 0 - HD2 LYS 77 - HB3 LYS 20 lone 0 64 - 0 - HD2 LYS 77 - HB2 LYS 20 lone 0 64 - 0 - HD3 LYS 77 - HB3 LYS 73 lone 0 61 - 0 - HD3 LYS 77 - HB3 LYS 20 lone 0 63 - 0 - HD3 LYS 77 - HB2 LYS 20 lone 0 63 - 0 - HG LEU 90 - HB3 LYS 73 lone 0 48 - 0 - HB3 LEU 127 - HB3 LYS 20 lone 0 46 - 0 - HB3 LEU 127 - HB2 LYS 20 lone 0 46 - 0 - HG LEU 64 - HB3 LYS 73 lone 0 41 - 0 - HB ILE 5 - HB3 LYS 20 lone 0 33 - 0 - HB ILE 5 - HB2 LYS 20 lone 0 33 - 0 - HB ILE 5 - HB3 LYS 73 lone 0 31 - 0 - Peak 2735 from cnoeabs.peaks (1.40, 1.88, 32.16 ppm; 3.15 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 16 + HB2 LYS 16 OK 100 100 - 100 - 3.0=100 HG3 LYS 16 + HB3 LYS 16 OK 100 100 - 100 - 3.0=100 Peak 2736 from cnoeabs.peaks (1.69, 1.88, 32.16 ppm; 2.67 A): 10 out of 115 assignments used, quality = 1.00: * HD2 LYS 16 + HB2 LYS 16 OK 79 100 - 79 - 3.6=40, 2756/3.0=7...(45) HD2 LYS 16 + HB3 LYS 16 OK 79 100 - 79 - 3.6=40, 2756/3.0=7...(45) HD3 LYS 16 + HB2 LYS 16 OK 79 100 - 79 - 3.6=40, 2756/3.0=7...(45) HD3 LYS 16 + HB3 LYS 16 OK 79 100 - 79 - 3.6=40, 2756/3.0=7...(45) HD3 LYS 20 + HB3 LYS 20 OK 52 65 - 80 - 3.4=46, 3078/2.9=6...(37) HD3 LYS 20 + HB2 LYS 20 OK 52 65 - 80 - 3.4=46, 3078/2.9=6...(37) HD2 LYS 20 + HB2 LYS 20 OK 52 65 - 80 - 3.4=46, 3078/2.9=6...(37) HD2 LYS 20 + HB3 LYS 20 OK 52 65 - 80 - 3.4=46, 3078/2.9=6...(37) HD2 LYS 73 + HB3 LYS 73 OK 45 62 - 72 - 3.8=33, 5170/2.9=6...(34) HD3 LYS 73 + HB3 LYS 73 OK 45 62 - 72 - 3.8=33, 5170/2.9=6...(34) HD2 LYS 40 - HB2 LYS 16 OK 27 99 - 27 - 2756/3.0=2, 2772=2...(6) HD3 LYS 40 - HB2 LYS 16 OK 27 99 - 27 - 2756/3.0=2, 2772=2...(6) HD2 LYS 40 - HB3 LYS 16 OK 27 99 - 27 - 2756/3.0=2, 2772=2...(6) HD3 LYS 40 - HB3 LYS 16 OK 26 99 - 27 - 2756/3.0=2, 2772=2...(6) HD2 LYS 73 - HB2 LYS 20 OK 18 65 - 29 - 3079/2.9=2, 3069/2.9=2 HD2 LYS 73 - HB3 LYS 20 OK 18 65 - 29 - 3079/2.9=2, 3069/2.9=2 HD3 LYS 73 - HB2 LYS 20 OK 18 65 - 29 - 3079/2.9=2, 3069/2.9=2 HD3 LYS 73 - HB3 LYS 20 OK 18 65 - 29 - 3079/2.9=2, 3069/2.9=2 HD3 LYS 43 - HB2 LYS 20 OK 18 65 - 29 - 3069/2.9=2, 3079/2.9=2...(5) HD3 LYS 43 - HB3 LYS 20 OK 18 65 - 29 - 3069/2.9=2, 3079/2.9=2...(5) HD2 LYS 43 - HB2 LYS 20 OK 17 60 - 29 - 3069/2.9=2, 3079/2.9=2...(5) HD2 LYS 43 - HB3 LYS 20 OK 17 60 - 29 - 3069/2.9=2, 3079/2.9=2...(5) HD3 LYS 20 - HB3 LYS 73 OK 13 62 - 21 - 5170/2.9=2, 5177/2.9=1 HD2 LYS 20 - HB3 LYS 73 OK 13 62 - 21 - 5170/2.9=2, 5177/2.9=1 HD3 LYS 43 - HB3 LYS 73 OK 13 62 - 20 - 5170/2.9=2, 5177/2.9=1 HD2 LYS 43 - HB3 LYS 73 OK 12 57 - 21 - 5170/2.9=2, 5187/2.9=1 HD2 LYS 17 - HB3 LYS 16 lone 9 99 - 9 - 2860/4.7=4, 4.8/7996=2 HD2 LYS 17 - HB2 LYS 16 lone 9 99 - 9 - 2860/4.7=4, 4.8/7996=1 HD2 LYS 40 - HB2 LYS 20 poor 8 63 - 13 - HD2 LYS 40 - HB3 LYS 20 poor 8 63 - 13 - HD3 LYS 40 - HB2 LYS 20 poor 8 62 - 13 - HD3 LYS 40 - HB3 LYS 20 poor 8 62 - 13 - HD3 LYS 96 - HB2 LYS 20 lone 6 64 - 9 - HD3 LYS 96 - HB3 LYS 20 lone 6 64 - 9 - HD2 LYS 96 - HB3 LYS 20 lone 6 62 - 9 - HD2 LYS 96 - HB2 LYS 20 lone 6 62 - 9 - HD3 LYS 20 - HB2 LYS 16 lone 6 100 - 5 - HD2 LYS 20 - HB2 LYS 16 lone 5 100 - 5 - HD3 LYS 96 - HB3 LYS 73 lone 6 62 - 9 - HD3 LYS 20 - HB3 LYS 16 lone 5 100 - 5 - HD2 LYS 20 - HB3 LYS 16 lone 5 100 - 5 - HD2 LYS 96 - HB3 LYS 73 lone 5 60 - 9 - HD2 LYS 73 - HB2 LYS 16 lone 5 100 - 5 - HD3 LYS 73 - HB2 LYS 16 lone 5 100 - 5 - HD2 LYS 73 - HB3 LYS 16 lone 5 100 - 5 - HD3 LYS 73 - HB3 LYS 16 lone 5 100 - 5 - HG LEU 74 - HB2 LYS 16 lone 4 65 - 6 - 2.1/11277=2, ~11277=1 HG LEU 74 - HB3 LYS 16 lone 4 65 - 6 - 2.1/11277=2, ~11277=1 HD2 LYS 16 - HB2 LYS 20 lone 4 65 - 5 - HD2 LYS 16 - HB3 LYS 20 lone 4 65 - 5 - HD2 LYS 40 - HB3 LYS 73 lone 4 61 - 6 - HD3 LYS 40 - HB3 LYS 73 lone 4 60 - 6 - HD3 LYS 16 - HB2 LYS 20 lone 4 64 - 5 - HD3 LYS 16 - HB3 LYS 20 lone 4 64 - 5 - HG3 ARG 95 - HB2 LYS 16 lone 3 92 - 3 - HG3 ARG 95 - HB3 LYS 20 lone 3 55 - 6 - HG3 ARG 95 - HB2 LYS 20 lone 3 55 - 6 - HG3 ARG 95 - HB3 LYS 16 lone 3 92 - 3 - HD2 LYS 17 - HB3 LYS 20 lone 3 62 - 5 - 4.8/7996=2 HD2 LYS 17 - HB2 LYS 20 lone 3 62 - 5 - 4.8/7996=2 HD2 LYS 16 - HB3 LYS 73 lone 3 63 - 5 - HD3 LYS 16 - HB3 LYS 73 lone 3 62 - 4 - HG3 ARG 95 - HB3 LYS 73 lone 2 52 - 4 - HG12 ILE 71 - HB3 LYS 73 lone 2 56 - 4 - HG LEU 74 - HB3 LYS 73 lone 2 34 - 6 - 5234/4.3=3 HB ILE 56 - HB2 LYS 20 lone 2 64 - 3 - HB ILE 56 - HB3 LYS 20 lone 2 64 - 3 - HD3 LYS 43 - HB2 LYS 16 lone 2 100 - 2 - HD3 LYS 43 - HB3 LYS 16 lone 2 100 - 2 - HD2 LYS 44 - HB2 LYS 16 lone 2 77 - 2 - HD2 LYS 43 - HB2 LYS 16 lone 2 97 - 2 - HD2 LYS 44 - HB3 LYS 16 lone 2 77 - 2 - HD2 LYS 43 - HB3 LYS 16 lone 2 97 - 2 - HB ILE 56 - HB3 LYS 16 lone 2 100 - 2 - HB ILE 56 - HB2 LYS 16 lone 2 100 - 2 - HD3 LYS 96 - HB2 LYS 16 lone 2 100 - 1 - HD3 LYS 96 - HB3 LYS 16 lone 2 100 - 1 - HD2 LYS 96 - HB2 LYS 16 lone 2 99 - 1 - HD2 LYS 96 - HB3 LYS 16 lone 2 99 - 1 - HD3 LYS 44 - HB2 LYS 16 lone 2 70 - 2 - HD3 LYS 44 - HB3 LYS 16 lone 2 69 - 2 - HD2 LYS 44 - HB3 LYS 73 lone 1 41 - 3 - HD3 LYS 44 - HB3 LYS 73 lone 1 36 - 3 - HG3 LYS 123 - HB3 LYS 16 lone 1 84 - 1 - HG3 LYS 123 - HB2 LYS 16 lone 1 84 - 1 - HG12 ILE 71 - HB3 LYS 16 lone 1 95 - 1 - HG12 ILE 71 - HB2 LYS 16 lone 1 96 - 1 - HD3 LYS 39 - HB3 LYS 73 lone 1 31 - 3 - HD2 LYS 44 - HB3 LYS 20 lone 1 43 - 2 - HD2 LYS 44 - HB2 LYS 20 lone 1 43 - 2 - HD3 LYS 39 - HB3 LYS 20 lone 1 33 - 2 - HD3 LYS 39 - HB2 LYS 20 lone 1 33 - 2 - HG3 LYS 39 - HB2 LYS 16 lone 1 84 - 1 - HG3 LYS 39 - HB3 LYS 16 lone 1 84 - 1 - HB ILE 54 - HB2 LYS 16 lone 1 99 - 1 - HD3 LYS 44 - HB3 LYS 20 lone 1 38 - 2 - HD3 LYS 44 - HB2 LYS 20 lone 1 38 - 2 - HB ILE 54 - HB3 LYS 16 lone 1 99 - 1 - HG3 LYS 39 - HB2 LYS 20 lone 1 48 - 1 - HG3 LYS 39 - HB3 LYS 20 lone 1 48 - 1 - HB ILE 54 - HB2 LYS 20 lone 1 63 - 1 - HB ILE 54 - HB3 LYS 20 lone 1 63 - 1 - HD2 LYS 17 - HB3 LYS 73 lone 1 60 - 1 - HG3 LYS 39 - HB3 LYS 73 lone 0 46 - 1 - HD3 LYS 39 - HB2 LYS 16 lone 0 61 - 1 - HD3 LYS 39 - HB3 LYS 16 lone 0 61 - 1 - HG12 ILE 71 - HB2 LYS 20 lone 0 58 - 1 - HG12 ILE 71 - HB3 LYS 20 lone 0 58 - 1 - HG LEU 74 - HB2 LYS 20 lone 0 35 - 1 - HG LEU 74 - HB3 LYS 20 lone 0 35 - 1 - HG3 LYS 123 - HB3 LYS 73 lone 0 46 - 1 - HB ILE 56 - HB3 LYS 73 lone 0 62 - 0 - HB ILE 54 - HB3 LYS 73 lone 0 61 - 0 - HG3 LYS 123 - HB3 LYS 20 lone 0 48 - 1 - HG3 LYS 123 - HB2 LYS 20 lone 0 48 - 1 - Peak 2737 from cnoeabs.peaks (1.69, 1.88, 32.16 ppm; 2.67 A): 8 out of 120 assignments used, quality = 1.00: * HD3 LYS 16 + HB2 LYS 16 OK 79 100 - 79 - 3.6=40, 2757/3.0=7...(45) HD3 LYS 16 + HB3 LYS 16 OK 79 100 - 79 - 3.6=40, 2757/3.0=7...(45) HD2 LYS 16 + HB2 LYS 16 OK 79 100 - 79 - 3.6=40, 2757/3.0=7...(45) HD2 LYS 16 + HB3 LYS 16 OK 78 100 - 79 - 3.6=40, 2757/3.0=7...(45) HD2 LYS 20 + HB3 LYS 20 OK 52 65 - 80 - 3.4=46, 3078/2.9=6...(37) HD2 LYS 20 + HB2 LYS 20 OK 52 65 - 80 - 3.4=46, 3078/2.9=6...(37) HD3 LYS 20 + HB2 LYS 20 OK 52 65 - 80 - 3.4=46, 3078/2.9=6...(37) HD3 LYS 20 + HB3 LYS 20 OK 52 65 - 80 - 3.4=46, 3078/2.9=6...(37) HD2 LYS 73 - HB3 LYS 73 OK 44 61 - 72 - 3.8=33, 5169/2.9=6...(34) HD3 LYS 73 - HB3 LYS 73 OK 43 60 - 72 - 3.8=33, 5169/2.9=6...(34) HD2 LYS 40 - HB2 LYS 16 OK 26 97 - 27 - 2756/3.0=2, 2772=2...(6) HD2 LYS 40 - HB3 LYS 16 OK 26 97 - 27 - 2756/3.0=2, 2772=2...(6) HD3 LYS 40 - HB2 LYS 16 OK 26 96 - 27 - 2756/3.0=2, 2772=2...(6) HD3 LYS 40 - HB3 LYS 16 OK 26 95 - 27 - 2756/3.0=2, 2772=2...(6) HD2 LYS 73 - HB3 LYS 20 OK 18 63 - 29 - 3078/2.9=2, 3068/2.9=2 HD2 LYS 73 - HB2 LYS 20 OK 18 63 - 29 - 3078/2.9=2, 3068/2.9=2 HD3 LYS 73 - HB3 LYS 20 OK 18 62 - 29 - 3078/2.9=2, 3068/2.9=2 HD3 LYS 73 - HB2 LYS 20 OK 18 62 - 29 - 3078/2.9=2, 3068/2.9=2 HD3 LYS 43 - HB2 LYS 20 OK 18 62 - 29 - 3068/2.9=2, 3078/2.9=2...(5) HD3 LYS 43 - HB3 LYS 20 OK 18 62 - 29 - 3068/2.9=2, 3078/2.9=2...(5) HD2 LYS 43 - HB2 LYS 20 OK 16 55 - 29 - 3069/2.9=2, 3079/2.9=2...(5) HD2 LYS 43 - HB3 LYS 20 OK 16 55 - 29 - 3069/2.9=2, 3079/2.9=2...(5) HD2 LYS 20 - HB3 LYS 73 OK 13 62 - 21 - 5169/2.9=2, 5177/2.9=1 HD3 LYS 20 - HB3 LYS 73 OK 13 62 - 21 - 5169/2.9=2, 5177/2.9=1 HD3 LYS 43 - HB3 LYS 73 OK 12 60 - 20 - 5169/2.9=1, 5177/2.9=1 HD2 LYS 43 - HB3 LYS 73 OK 11 52 - 21 - 5170/2.9=1, 5187/2.9=1 HD2 LYS 17 - HB3 LYS 16 lone 9 95 - 9 - 2860/4.7=3, 4.8/7998=2 HD2 LYS 17 - HB2 LYS 16 lone 9 96 - 9 - 2860/4.7=3, 4.8/7996=1 HD2 LYS 40 - HB3 LYS 20 poor 8 60 - 13 - HD2 LYS 40 - HB2 LYS 20 poor 8 60 - 13 - HD3 LYS 40 - HB3 LYS 20 poor 8 58 - 13 - HD3 LYS 40 - HB2 LYS 20 poor 8 58 - 13 - HD3 LYS 96 - HB3 LYS 20 lone 6 61 - 9 - HD3 LYS 96 - HB2 LYS 20 lone 6 61 - 9 - HD2 LYS 96 - HB2 LYS 20 lone 6 58 - 9 - HD2 LYS 96 - HB3 LYS 20 lone 6 58 - 9 - HD2 LYS 20 - HB2 LYS 16 lone 5 100 - 5 - HD3 LYS 20 - HB2 LYS 16 lone 5 100 - 5 - HD2 LYS 20 - HB3 LYS 16 lone 5 100 - 5 - HD3 LYS 20 - HB3 LYS 16 lone 5 100 - 5 - HD3 LYS 96 - HB3 LYS 73 lone 5 59 - 9 - HD2 LYS 73 - HB2 LYS 16 lone 5 99 - 5 - HD3 LYS 73 - HB2 LYS 16 lone 5 99 - 5 - HD2 LYS 96 - HB3 LYS 73 lone 5 56 - 9 - HD2 LYS 73 - HB3 LYS 16 lone 5 99 - 5 - HD3 LYS 73 - HB3 LYS 16 lone 5 99 - 5 - HG LEU 74 - HB2 LYS 16 lone 5 77 - 6 - 2.1/11277=2, ~11277=1 HG LEU 74 - HB3 LYS 16 lone 5 77 - 6 - 2.1/11277=2, ~11277=1 HD3 LYS 16 - HB3 LYS 20 lone 4 65 - 5 - HD3 LYS 16 - HB2 LYS 20 lone 4 65 - 5 - HD2 LYS 16 - HB3 LYS 20 lone 4 64 - 5 - HD2 LYS 16 - HB2 LYS 20 lone 4 64 - 5 - HD2 LYS 40 - HB3 LYS 73 lone 3 57 - 6 - HD3 LYS 40 - HB3 LYS 73 lone 3 56 - 6 - HD2 LYS 16 - HB3 LYS 73 lone 3 62 - 4 - HG3 ARG 95 - HB2 LYS 16 lone 3 84 - 3 - HD2 LYS 17 - HB2 LYS 20 lone 3 58 - 5 - 4.8/7996=2 HD2 LYS 17 - HB3 LYS 20 lone 3 58 - 5 - 4.8/7996=2 HD3 LYS 16 - HB3 LYS 73 lone 3 63 - 4 - HG3 ARG 95 - HB3 LYS 16 lone 3 84 - 3 - HG3 ARG 95 - HB2 LYS 20 lone 3 48 - 6 - HG3 ARG 95 - HB3 LYS 20 lone 3 48 - 6 - HG LEU 74 - HB3 LYS 73 lone 3 41 - 6 - 5234/4.3=4 HG12 ILE 71 - HB3 LYS 73 lone 3 60 - 4 - HG3 ARG 95 - HB3 LYS 73 lone 2 46 - 4 - HD2 LYS 44 - HB2 LYS 16 lone 2 87 - 2 - HD2 LYS 44 - HB3 LYS 16 lone 2 87 - 2 - HD3 LYS 44 - HB2 LYS 16 lone 2 81 - 2 - HD3 LYS 44 - HB3 LYS 16 lone 2 80 - 2 - HB ILE 56 - HB2 LYS 20 lone 2 65 - 3 - HB ILE 56 - HB3 LYS 20 lone 2 65 - 3 - HD2 LYS 44 - HB3 LYS 73 lone 2 48 - 3 - HD3 LYS 43 - HB2 LYS 16 lone 2 99 - 2 - HD3 LYS 43 - HB3 LYS 16 lone 2 99 - 2 - HB ILE 56 - HB3 LYS 16 lone 2 100 - 2 - HB ILE 56 - HB2 LYS 16 lone 2 100 - 2 - HD3 LYS 44 - HB3 LYS 73 lone 2 44 - 3 - HD2 LYS 43 - HB2 LYS 16 lone 1 92 - 2 - HD3 LYS 96 - HB2 LYS 16 lone 1 98 - 1 - HD2 LYS 43 - HB3 LYS 16 lone 1 92 - 2 - HD3 LYS 96 - HB3 LYS 16 lone 1 98 - 1 - HD2 LYS 96 - HB2 LYS 16 lone 1 96 - 1 - HD2 LYS 96 - HB3 LYS 16 lone 1 95 - 1 - HG3 LYS 123 - HB3 LYS 16 lone 1 92 - 1 - HG3 LYS 123 - HB2 LYS 16 lone 1 92 - 1 - HD3 LYS 39 - HB3 LYS 73 lone 1 39 - 3 - HD3 LYS 39 - HB3 LYS 20 lone 1 41 - 2 - HD3 LYS 39 - HB2 LYS 20 lone 1 41 - 2 - HD2 LYS 39 - HB3 LYS 73 lone 1 36 - 3 - HD2 LYS 44 - HB3 LYS 20 lone 1 50 - 2 - HD2 LYS 44 - HB2 LYS 20 lone 1 50 - 2 - HG12 ILE 71 - HB3 LYS 16 lone 1 99 - 1 - HG12 ILE 71 - HB2 LYS 16 lone 1 99 - 1 - HD2 LYS 39 - HB3 LYS 20 lone 1 38 - 2 - HD2 LYS 39 - HB2 LYS 20 lone 1 38 - 2 - HD3 LYS 44 - HB3 LYS 20 lone 1 46 - 2 - HD3 LYS 44 - HB2 LYS 20 lone 1 46 - 2 - HG3 LYS 39 - HB2 LYS 16 lone 1 92 - 1 - HG3 LYS 39 - HB3 LYS 16 lone 1 92 - 1 - HB ILE 54 - HB2 LYS 16 lone 1 97 - 1 - HB ILE 54 - HB3 LYS 16 lone 1 97 - 1 - HG3 LYS 39 - HB3 LYS 20 lone 1 55 - 1 - HG3 LYS 39 - HB2 LYS 20 lone 1 55 - 1 - HD3 LYS 39 - HB2 LYS 16 lone 1 73 - 1 - HD3 LYS 39 - HB3 LYS 16 lone 1 73 - 1 - HG3 LYS 39 - HB3 LYS 73 lone 1 52 - 1 - HD2 LYS 39 - HB2 LYS 16 lone 1 70 - 1 - HD2 LYS 39 - HB3 LYS 16 lone 1 69 - 1 - HG LEU 74 - HB2 LYS 20 lone 1 43 - 1 - HG LEU 74 - HB3 LYS 20 lone 1 43 - 1 - HB ILE 54 - HB3 LYS 20 lone 0 60 - 1 - HB ILE 54 - HB2 LYS 20 lone 0 60 - 1 - HD2 LYS 17 - HB3 LYS 73 lone 0 56 - 1 - HG12 ILE 71 - HB3 LYS 20 lone 0 62 - 1 - HG12 ILE 71 - HB2 LYS 20 lone 0 62 - 1 - HG3 LYS 123 - HB3 LYS 73 lone 0 52 - 1 - HG3 LYS 123 - HB3 LYS 20 lone 0 55 - 1 - HG3 LYS 123 - HB2 LYS 20 lone 0 55 - 1 - HB ILE 56 - HB3 LYS 73 lone 0 63 - 0 - HB ILE 54 - HB3 LYS 73 lone 0 57 - 0 - Peak 2738 from cnoeabs.peaks (2.91, 1.88, 32.16 ppm; 3.77 A): 4 out of 70 assignments used, quality = 1.00: HE3 LYS 16 + HB2 LYS 16 OK 89 100 - 89 - 5.1=41, 2804/3.0=11...(43) * HE2 LYS 16 + HB2 LYS 16 OK 89 100 - 89 - 5.1=41, 2804/3.0=11...(43) HE3 LYS 16 + HB3 LYS 16 OK 89 100 - 89 - 5.1=41, 2804/3.0=11...(43) HE2 LYS 16 + HB3 LYS 16 OK 89 100 - 89 - 5.1=41, 2804/3.0=11...(43) HE3 LYS 17 - HB2 LYS 16 poor 10 92 - 10 - 7.2/84=2, 6.5/7998=2 HE3 LYS 17 - HB3 LYS 16 poor 9 92 - 10 - 7.2/84=2, 6.5/7998=2 HE2 LYS 115 - HB2 LYS 16 lone 7 100 - 7 - HE3 LYS 115 - HB2 LYS 16 lone 7 100 - 7 - HE2 LYS 115 - HB3 LYS 16 lone 7 100 - 7 - HE3 LYS 115 - HB3 LYS 16 lone 7 100 - 7 - HE2 LYS 16 - HB3 LYS 20 lone 5 65 - 7 - HE3 LYS 16 - HB3 LYS 20 lone 5 65 - 7 - HE3 LYS 16 - HB2 LYS 20 lone 5 65 - 7 - HE2 LYS 16 - HB2 LYS 20 lone 5 65 - 7 - HE2 LYS 65 - HB2 LYS 16 lone 5 98 - 5 - HE3 LYS 65 - HB2 LYS 16 lone 5 98 - 5 - HE3 LYS 65 - HB3 LYS 16 lone 4 98 - 5 - HE2 LYS 65 - HB3 LYS 16 lone 4 98 - 5 - HE3 LYS 16 - HB3 LYS 73 lone 4 63 - 6 - HE2 LYS 16 - HB3 LYS 73 lone 4 63 - 6 - HE3 LYS 17 - HB2 LYS 20 lone 4 55 - 7 - 6.5/7996=2, 7.2/85=1 HE3 LYS 17 - HB3 LYS 20 lone 4 55 - 7 - 6.5/7996=2, 7.2/85=1 HE3 LYS 94 - HB2 LYS 16 lone 1 97 - 1 - HE3 LYS 94 - HB3 LYS 16 lone 1 97 - 1 - HB2 ASN 33 - HB3 LYS 16 lone 1 100 - 1 - HB2 ASN 33 - HB2 LYS 16 lone 1 100 - 1 - HE3 LYS 94 - HB2 LYS 20 lone 1 60 - 1 - HE3 LYS 94 - HB3 LYS 20 lone 1 60 - 1 - HB2 ASP 34 - HB2 LYS 16 lone 1 100 - 1 - HB2 ASP 34 - HB3 LYS 16 lone 1 100 - 1 - HE3 LYS 17 - HB3 LYS 73 lone 1 52 - 1 - HE2 LYS 115 - HB3 LYS 20 lone 1 65 - 1 - HE3 LYS 115 - HB2 LYS 20 lone 1 65 - 1 - HE3 LYS 115 - HB3 LYS 20 lone 1 65 - 1 - HE2 LYS 115 - HB2 LYS 20 lone 1 65 - 1 - HE2 LYS 65 - HB3 LYS 20 lone 1 61 - 1 - HE3 LYS 65 - HB3 LYS 20 lone 1 61 - 1 - HE3 LYS 65 - HB2 LYS 20 lone 1 61 - 1 - HE2 LYS 65 - HB2 LYS 20 lone 1 61 - 1 - HB2 ASN 10 - HB2 LYS 16 lone 0 99 - 0 - HB2 ASN 10 - HB3 LYS 16 lone 0 99 - 0 - HB3 ASN 88 - HB2 LYS 16 lone 0 99 - 0 - HB3 ASN 88 - HB3 LYS 16 lone 0 99 - 0 - HE3 LYS 65 - HB3 LYS 73 lone 0 59 - 1 - HE2 LYS 65 - HB3 LYS 73 lone 0 59 - 1 - HE2 LYS 115 - HB3 LYS 73 lone 0 62 - 1 - HE3 LYS 115 - HB3 LYS 73 lone 0 62 - 1 - HB2 ASN 33 - HB3 LYS 73 lone 0 63 - 1 - HE3 LYS 94 - HB3 LYS 73 lone 0 57 - 1 - HB2 ASN 33 - HB3 LYS 20 lone 0 65 - 1 - HB2 ASN 33 - HB2 LYS 20 lone 0 65 - 1 - HB2 ASP 34 - HB3 LYS 73 lone 0 62 - 1 - HB2 ASN 8 - HB2 LYS 16 lone 0 61 - 1 - HB2 ASN 8 - HB3 LYS 16 lone 0 61 - 1 - HB2 ASP 86 - HB2 LYS 16 lone 0 70 - 0 - HB2 ASP 86 - HB3 LYS 16 lone 0 69 - 0 - HB2 ASP 34 - HB2 LYS 20 lone 0 65 - 0 - HB2 ASP 34 - HB3 LYS 20 lone 0 65 - 0 - HB2 ASN 10 - HB3 LYS 20 lone 0 63 - 0 - HB2 ASN 10 - HB2 LYS 20 lone 0 63 - 0 - HB3 ASN 88 - HB2 LYS 20 lone 0 62 - 0 - HB3 ASN 88 - HB3 LYS 20 lone 0 62 - 0 - HB2 ASN 10 - HB3 LYS 73 lone 0 61 - 0 - HB3 ASN 88 - HB3 LYS 73 lone 0 60 - 0 - HB2 ASP 86 - HB2 LYS 20 lone 0 38 - 0 - HB2 ASP 86 - HB3 LYS 20 lone 0 38 - 0 - HB2 ASP 86 - HB3 LYS 73 lone 0 36 - 0 - HB2 ASN 8 - HB3 LYS 73 lone 0 31 - 0 - HB2 ASN 8 - HB3 LYS 20 lone 0 33 - 0 - HB2 ASN 8 - HB2 LYS 20 lone 0 33 - 0 - Peak 2739 from cnoeabs.peaks (2.91, 1.88, 32.16 ppm; 3.77 A): 4 out of 70 assignments used, quality = 1.00: * HE3 LYS 16 + HB2 LYS 16 OK 89 100 - 89 - 5.1=41, 2804/3.0=11...(43) HE2 LYS 16 + HB2 LYS 16 OK 89 100 - 89 - 5.1=41, 2804/3.0=11...(43) HE3 LYS 16 + HB3 LYS 16 OK 89 100 - 89 - 5.1=41, 2804/3.0=11...(43) HE2 LYS 16 + HB3 LYS 16 OK 89 100 - 89 - 5.1=41, 2804/3.0=11...(43) HE3 LYS 17 - HB2 LYS 16 poor 10 92 - 10 - 7.2/84=2, 6.5/7998=2 HE3 LYS 17 - HB3 LYS 16 poor 9 92 - 10 - 7.2/84=2, 6.5/7998=2 HE2 LYS 115 - HB2 LYS 16 lone 7 100 - 7 - HE3 LYS 115 - HB2 LYS 16 lone 7 100 - 7 - HE2 LYS 115 - HB3 LYS 16 lone 7 100 - 7 - HE3 LYS 115 - HB3 LYS 16 lone 7 100 - 7 - HE2 LYS 16 - HB3 LYS 20 lone 5 65 - 7 - HE3 LYS 16 - HB3 LYS 20 lone 5 65 - 7 - HE3 LYS 16 - HB2 LYS 20 lone 5 65 - 7 - HE2 LYS 16 - HB2 LYS 20 lone 5 65 - 7 - HE2 LYS 65 - HB2 LYS 16 lone 5 98 - 5 - HE3 LYS 65 - HB2 LYS 16 lone 5 98 - 5 - HE3 LYS 65 - HB3 LYS 16 lone 4 98 - 5 - HE2 LYS 65 - HB3 LYS 16 lone 4 98 - 5 - HE3 LYS 16 - HB3 LYS 73 lone 4 63 - 6 - HE2 LYS 16 - HB3 LYS 73 lone 4 63 - 6 - HE3 LYS 17 - HB2 LYS 20 lone 4 55 - 7 - 6.5/7996=2, 7.2/85=1 HE3 LYS 17 - HB3 LYS 20 lone 4 55 - 7 - 6.5/7996=2, 7.2/85=1 HE3 LYS 94 - HB2 LYS 16 lone 1 97 - 1 - HE3 LYS 94 - HB3 LYS 16 lone 1 97 - 1 - HB2 ASN 33 - HB3 LYS 16 lone 1 100 - 1 - HB2 ASN 33 - HB2 LYS 16 lone 1 100 - 1 - HE3 LYS 94 - HB2 LYS 20 lone 1 60 - 1 - HE3 LYS 94 - HB3 LYS 20 lone 1 60 - 1 - HB2 ASP 34 - HB2 LYS 16 lone 1 100 - 1 - HB2 ASP 34 - HB3 LYS 16 lone 1 100 - 1 - HE3 LYS 17 - HB3 LYS 73 lone 1 52 - 1 - HE2 LYS 115 - HB3 LYS 20 lone 1 65 - 1 - HE3 LYS 115 - HB2 LYS 20 lone 1 65 - 1 - HE3 LYS 115 - HB3 LYS 20 lone 1 65 - 1 - HE2 LYS 115 - HB2 LYS 20 lone 1 65 - 1 - HE2 LYS 65 - HB3 LYS 20 lone 1 61 - 1 - HE3 LYS 65 - HB3 LYS 20 lone 1 61 - 1 - HE3 LYS 65 - HB2 LYS 20 lone 1 61 - 1 - HE2 LYS 65 - HB2 LYS 20 lone 1 61 - 1 - HB2 ASN 10 - HB2 LYS 16 lone 0 99 - 0 - HB2 ASN 10 - HB3 LYS 16 lone 0 99 - 0 - HB3 ASN 88 - HB2 LYS 16 lone 0 99 - 0 - HB3 ASN 88 - HB3 LYS 16 lone 0 99 - 0 - HE3 LYS 65 - HB3 LYS 73 lone 0 59 - 1 - HE2 LYS 65 - HB3 LYS 73 lone 0 59 - 1 - HE2 LYS 115 - HB3 LYS 73 lone 0 62 - 1 - HE3 LYS 115 - HB3 LYS 73 lone 0 62 - 1 - HB2 ASN 33 - HB3 LYS 73 lone 0 63 - 1 - HE3 LYS 94 - HB3 LYS 73 lone 0 57 - 1 - HB2 ASN 33 - HB3 LYS 20 lone 0 65 - 1 - HB2 ASN 33 - HB2 LYS 20 lone 0 65 - 1 - HB2 ASP 34 - HB3 LYS 73 lone 0 62 - 1 - HB2 ASN 8 - HB2 LYS 16 lone 0 61 - 1 - HB2 ASN 8 - HB3 LYS 16 lone 0 61 - 1 - HB2 ASP 86 - HB2 LYS 16 lone 0 70 - 0 - HB2 ASP 86 - HB3 LYS 16 lone 0 69 - 0 - HB2 ASP 34 - HB2 LYS 20 lone 0 65 - 0 - HB2 ASP 34 - HB3 LYS 20 lone 0 65 - 0 - HB2 ASN 10 - HB3 LYS 20 lone 0 63 - 0 - HB2 ASN 10 - HB2 LYS 20 lone 0 63 - 0 - HB3 ASN 88 - HB2 LYS 20 lone 0 62 - 0 - HB3 ASN 88 - HB3 LYS 20 lone 0 62 - 0 - HB2 ASN 10 - HB3 LYS 73 lone 0 61 - 0 - HB3 ASN 88 - HB3 LYS 73 lone 0 60 - 0 - HB2 ASP 86 - HB2 LYS 20 lone 0 38 - 0 - HB2 ASP 86 - HB3 LYS 20 lone 0 38 - 0 - HB2 ASP 86 - HB3 LYS 73 lone 0 36 - 0 - HB2 ASN 8 - HB3 LYS 73 lone 0 31 - 0 - HB2 ASN 8 - HB3 LYS 20 lone 0 33 - 0 - HB2 ASN 8 - HB2 LYS 20 lone 0 33 - 0 - Peak 2740 from cnoeabs.peaks (7.60, 1.88, 32.16 ppm; 3.12 A): 3 out of 42 assignments used, quality = 0.96: * H LYS 16 + HB3 LYS 16 OK 74 100 - 74 - 4.0=46, 2750/3.0=14...(10) H LYS 16 + HB2 LYS 16 OK 74 100 - 74 - 4.0=46, 2750/3.0=14...(10) H LEU 74 + HB3 LYS 73 OK 35 65 - 54 - 4.3=37, 452/4.0=10...(7) H LEU 74 - HB2 LYS 73 OK 32 60 - 54 - 4.3=37, 452/4.0=10...(7) H LEU 74 - HB2 LYS 16 OK 14 99 - 14 - 2750/3.0=3, 2760/3.0=3...(6) H LEU 74 - HB3 LYS 16 OK 14 99 - 14 - 2750/3.0=3, 2760/3.0=3...(6) H LYS 16 - HB3 LYS 73 poor 10 68 - 14 - 7671/2.9=4, 452/4.0=3...(5) H LYS 16 - HB2 LYS 73 poor 9 63 - 14 - 7671/2.9=4, 452/4.0=3...(5) H LYS 115 - HB2 LYS 16 lone 5 84 - 6 - 2760/3.0=1, 3.0/8264=1 H LYS 115 - HB3 LYS 16 lone 5 84 - 6 - 2760/3.0=1, 2750/3.0=1 H LYS 16 - HB3 LYS 20 lone 4 69 - 5 - 4.6/85=2 H LYS 16 - HB2 LYS 20 lone 4 69 - 5 - 4.6/85=2 H LEU 74 - HB2 LYS 20 lone 3 66 - 4 - H LEU 74 - HB3 LYS 20 lone 3 66 - 4 - H ASP 34 - HB3 LYS 16 lone 2 87 - 2 - H ASP 34 - HB2 LYS 16 lone 2 87 - 2 - HE ARG 105 - HB3 LYS 16 lone 1 99 - 1 - HE ARG 105 - HB2 LYS 16 lone 1 99 - 1 - H LYS 115 - HB3 LYS 73 lone 1 50 - 2 - H LYS 115 - HB2 LYS 73 lone 1 46 - 2 - H ASP 34 - HB3 LYS 73 lone 1 53 - 1 - H ASP 34 - HB2 LYS 73 lone 1 48 - 1 - H LYS 115 - HB3 LYS 20 lone 1 51 - 1 - H LYS 115 - HB2 LYS 20 lone 1 51 - 1 - HE ARG 105 - HB3 LYS 73 lone 1 65 - 1 - HE ARG 105 - HB2 LYS 73 lone 0 60 - 1 - H GLN 100 - HB3 LYS 20 lone 1 35 - 1 - H GLN 100 - HB2 LYS 20 lone 1 35 - 1 - H GLN 100 - HB3 LYS 16 lone 0 61 - 1 - H GLN 100 - HB2 LYS 16 lone 0 61 - 1 - H GLN 100 - HB3 LYS 73 lone 0 35 - 1 - H GLN 100 - HB2 LYS 73 lone 0 31 - 1 - H ASP 34 - HB3 LYS 20 lone 0 54 - 1 - H ASP 34 - HB2 LYS 20 lone 0 54 - 1 - HE21 GLN 85 - HB3 LYS 16 lone 0 57 - 0 - HE21 GLN 85 - HB2 LYS 16 lone 0 57 - 0 - HE ARG 105 - HB3 LYS 20 lone 0 66 - 0 - HE ARG 105 - HB2 LYS 20 lone 0 66 - 0 - HE21 GLN 85 - HB3 LYS 73 lone 0 32 - 1 - HE21 GLN 85 - HB2 LYS 73 lone 0 29 - 1 - HE21 GLN 85 - HB2 LYS 20 lone 0 33 - 0 - HE21 GLN 85 - HB3 LYS 20 lone 0 33 - 0 - Peak 2741 from cnoeabs.peaks (3.84, 1.88, 32.16 ppm; 3.23 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 16 + HB3 LYS 16 OK 100 100 - 100 - 3.0=100 HA LYS 16 + HB2 LYS 16 OK 100 100 - 100 - 3.0=100 Peak 2742 from cnoeabs.peaks (1.88, 1.88, 32.16 ppm; diagonal): 5 out of 6 assignments used, quality = 1.00: HB3 LYS 16 + HB3 LYS 16 OK 100 100 - 100 HB2 LYS 16 + HB2 LYS 16 OK 100 100 - 100 HB3 LYS 20 + HB3 LYS 20 OK 58 58 - 100 HB2 LYS 20 + HB2 LYS 20 OK 58 58 - 100 HB3 LYS 73 + HB3 LYS 73 OK 48 48 - 100 HB2 LYS 73 - HB2 LYS 73 OK 41 41 - 100 Reference assignment not found: HB2 LYS 16 - HB3 LYS 16 Peak 2743 from cnoeabs.peaks (1.88, 1.88, 32.16 ppm; diagonal): 5 out of 6 assignments used, quality = 1.00: * HB3 LYS 16 + HB3 LYS 16 OK 100 100 - 100 HB2 LYS 16 + HB2 LYS 16 OK 100 100 - 100 HB3 LYS 20 + HB3 LYS 20 OK 60 60 - 100 HB2 LYS 20 + HB2 LYS 20 OK 60 60 - 100 HB3 LYS 73 + HB3 LYS 73 OK 50 50 - 100 HB2 LYS 73 - HB2 LYS 73 OK 44 44 - 100 Peak 2744 from cnoeabs.peaks (1.63, 1.88, 32.16 ppm; 2.82 A): 2 out of 72 assignments used, quality = 1.00: * HG2 LYS 16 + HB3 LYS 16 OK 94 100 - 94 - 3.0=87, 2724/3.0=10...(26) HG2 LYS 16 + HB2 LYS 16 OK 94 100 - 94 - 3.0=87, 2724/3.0=10...(26) HG3 LYS 40 - HB3 LYS 16 OK 23 97 - 24 - 2724/3.0=4, 1106/4.0=2...(9) HG3 LYS 40 - HB2 LYS 16 OK 23 97 - 24 - 2724/3.0=4, 1106/4.0=2...(9) HG3 LYS 40 - HB3 LYS 20 lone 5 63 - 8 - HG3 LYS 40 - HB2 LYS 20 lone 5 63 - 8 - HG2 LYS 16 - HB2 LYS 20 lone 3 69 - 5 - HG2 LYS 16 - HB3 LYS 20 lone 3 69 - 5 - HG2 LYS 16 - HB3 LYS 73 lone 3 68 - 4 - 2750/4.3=2 HG2 LYS 16 - HB2 LYS 73 lone 3 63 - 4 - 2750/4.3=2 HB2 LEU 82 - HB2 LYS 16 lone 3 98 - 3 - HB2 LEU 82 - HB3 LYS 16 lone 3 98 - 3 - HG3 LYS 40 - HB3 LYS 73 lone 2 62 - 4 - HG3 LYS 40 - HB2 LYS 73 lone 2 57 - 4 - HB3 LEU 64 - HB2 LYS 16 lone 2 100 - 2 - HB3 LEU 64 - HB3 LYS 16 lone 2 100 - 2 - HB ILE 116 - HB2 LYS 16 lone 2 100 - 1 - HB ILE 116 - HB3 LYS 16 lone 1 100 - 1 - HG LEU 63 - HB2 LYS 20 lone 1 63 - 2 - 4730/4.6=1 HG LEU 63 - HB3 LYS 20 lone 1 63 - 2 - 4730/4.6=1 HD2 LYS 77 - HB3 LYS 16 lone 1 100 - 1 - HD2 LYS 77 - HB2 LYS 16 lone 1 100 - 1 - HD3 LYS 77 - HB3 LYS 16 lone 1 99 - 1 - HD3 LYS 77 - HB2 LYS 16 lone 1 99 - 1 - HG LEU 64 - HB2 LYS 16 lone 1 77 - 1 - HG LEU 64 - HB3 LYS 16 lone 1 77 - 1 - HG LEU 63 - HB2 LYS 16 lone 1 97 - 1 - HG LEU 63 - HB3 LYS 16 lone 1 97 - 1 - HB ILE 5 - HB3 LYS 16 lone 1 61 - 1 - HB ILE 5 - HB2 LYS 16 lone 1 61 - 1 - HG LEU 90 - HB3 LYS 16 lone 1 87 - 1 - HG LEU 90 - HB2 LYS 16 lone 1 87 - 1 - HB3 LEU 64 - HB2 LYS 20 lone 0 69 - 1 - HB3 LEU 64 - HB3 LYS 20 lone 0 69 - 1 - HB3 LEU 127 - HB3 LYS 16 lone 0 81 - 0 - HB3 LEU 127 - HB2 LYS 16 lone 0 80 - 0 - HB ILE 116 - HB3 LYS 73 lone 0 67 - 0 - HB2 LEU 82 - HB3 LYS 73 lone 0 64 - 0 - HB3 LEU 64 - HB3 LYS 73 lone 0 68 - 0 - HB ILE 116 - HB2 LYS 73 lone 0 62 - 0 - HB2 LEU 82 - HB2 LYS 73 lone 0 59 - 0 - HB3 LEU 64 - HB2 LYS 73 lone 0 62 - 0 - HG LEU 63 - HB3 LYS 73 lone 0 62 - 0 - HG LEU 63 - HB2 LYS 73 lone 0 57 - 0 - HB ILE 116 - HB2 LYS 20 lone 0 68 - 0 - HB ILE 116 - HB3 LYS 20 lone 0 68 - 0 - HG LEU 90 - HB2 LYS 20 lone 0 54 - 0 - HG LEU 90 - HB3 LYS 20 lone 0 54 - 0 - HB3 LEU 127 - HB3 LYS 73 lone 0 48 - 0 - HB2 LEU 82 - HB3 LYS 20 lone 0 65 - 0 - HB2 LEU 82 - HB2 LYS 20 lone 0 65 - 0 - HB3 LEU 127 - HB2 LYS 73 lone 0 44 - 0 - HG LEU 64 - HB2 LYS 20 lone 0 46 - 0 - HG LEU 64 - HB3 LYS 20 lone 0 46 - 0 - HD2 LYS 77 - HB3 LYS 73 lone 0 67 - 0 - HD3 LYS 77 - HB3 LYS 73 lone 0 66 - 0 - HD2 LYS 77 - HB3 LYS 20 lone 0 68 - 0 - HD2 LYS 77 - HB2 LYS 20 lone 0 68 - 0 - HG LEU 90 - HB3 LYS 73 lone 0 53 - 0 - HD3 LYS 77 - HB3 LYS 20 lone 0 67 - 0 - HD3 LYS 77 - HB2 LYS 20 lone 0 67 - 0 - HB3 LEU 127 - HB2 LYS 20 lone 0 49 - 0 - HB3 LEU 127 - HB3 LYS 20 lone 0 49 - 0 - HD2 LYS 77 - HB2 LYS 73 lone 0 62 - 0 - HD3 LYS 77 - HB2 LYS 73 lone 0 61 - 0 - HG LEU 90 - HB2 LYS 73 lone 0 48 - 0 - HG LEU 64 - HB3 LYS 73 lone 0 45 - 0 - HG LEU 64 - HB2 LYS 73 lone 0 41 - 0 - HB ILE 5 - HB3 LYS 73 lone 0 35 - 0 - HB ILE 5 - HB2 LYS 20 lone 0 35 - 0 - HB ILE 5 - HB3 LYS 20 lone 0 35 - 0 - HB ILE 5 - HB2 LYS 73 lone 0 31 - 0 - Peak 2745 from cnoeabs.peaks (1.40, 1.88, 32.16 ppm; 3.15 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 16 + HB3 LYS 16 OK 100 100 - 100 - 3.0=100 HG3 LYS 16 + HB2 LYS 16 OK 100 100 - 100 - 3.0=100 Peak 2746 from cnoeabs.peaks (1.69, 1.88, 32.16 ppm; 2.67 A): 12 out of 138 assignments used, quality = 1.00: * HD2 LYS 16 + HB3 LYS 16 OK 79 100 - 79 - 3.6=40, 2756/3.0=7...(45) HD2 LYS 16 + HB2 LYS 16 OK 79 100 - 79 - 3.6=40, 2756/3.0=7...(45) HD3 LYS 16 + HB3 LYS 16 OK 79 100 - 79 - 3.6=40, 2756/3.0=7...(45) HD3 LYS 16 + HB2 LYS 16 OK 79 100 - 79 - 3.6=40, 2756/3.0=7...(45) HD3 LYS 20 + HB2 LYS 20 OK 55 69 - 80 - 3.4=46, 3078/2.9=6...(37) HD3 LYS 20 + HB3 LYS 20 OK 55 69 - 80 - 3.4=46, 3078/2.9=6...(37) HD2 LYS 20 + HB3 LYS 20 OK 55 69 - 80 - 3.4=46, 3078/2.9=6...(37) HD2 LYS 20 + HB2 LYS 20 OK 55 69 - 80 - 3.4=46, 3078/2.9=6...(37) HD2 LYS 73 + HB3 LYS 73 OK 49 68 - 73 - 3.8=33, 5170/2.9=6...(35) HD3 LYS 73 + HB3 LYS 73 OK 49 68 - 73 - 3.8=33, 5170/2.9=6...(35) HD2 LYS 73 + HB2 LYS 73 OK 45 62 - 72 - 3.8=33, 5170/2.9=6...(35) HD3 LYS 73 + HB2 LYS 73 OK 45 62 - 72 - 3.8=33, 5170/2.9=6...(35) HD2 LYS 40 - HB2 LYS 16 OK 27 99 - 27 - 2756/3.0=2, 2772=2...(6) HD2 LYS 40 - HB3 LYS 16 OK 27 99 - 27 - 2756/3.0=2, 2772=2...(6) HD3 LYS 40 - HB2 LYS 16 OK 27 99 - 27 - 2756/3.0=2, 2772=2...(6) HD3 LYS 40 - HB3 LYS 16 OK 26 99 - 27 - 2756/3.0=2, 2772=2...(6) HD2 LYS 73 - HB3 LYS 20 OK 20 69 - 29 - 3079/2.9=2, 3069/2.9=2 HD2 LYS 73 - HB2 LYS 20 OK 20 69 - 29 - 3079/2.9=2, 3069/2.9=2 HD3 LYS 73 - HB2 LYS 20 OK 20 69 - 29 - 3079/2.9=2, 3069/2.9=2 HD3 LYS 73 - HB3 LYS 20 OK 20 69 - 29 - 3079/2.9=2, 3069/2.9=2 HD3 LYS 43 - HB2 LYS 20 OK 19 69 - 29 - 3069/2.9=2, 3079/2.9=2...(5) HD3 LYS 43 - HB3 LYS 20 OK 19 69 - 29 - 3069/2.9=2, 3079/2.9=2...(5) HD2 LYS 43 - HB2 LYS 20 OK 18 63 - 29 - 3069/2.9=2, 3079/2.9=2...(5) HD2 LYS 43 - HB3 LYS 20 OK 18 63 - 29 - 3069/2.9=2, 3079/2.9=2...(5) HD3 LYS 20 - HB3 LYS 73 OK 14 68 - 21 - 5170/2.9=2, 5177/2.9=1 HD2 LYS 20 - HB3 LYS 73 OK 14 68 - 21 - 5170/2.9=2, 5177/2.9=1 HD3 LYS 43 - HB3 LYS 73 OK 14 68 - 20 - 5170/2.9=2, 5177/2.9=1 HD3 LYS 20 - HB2 LYS 73 OK 13 62 - 21 - 5170/2.9=2, 5177/2.9=1 HD2 LYS 20 - HB2 LYS 73 OK 13 62 - 21 - 5170/2.9=2, 5177/2.9=1 HD2 LYS 43 - HB3 LYS 73 OK 13 62 - 21 - 5170/2.9=2, 5187/2.9=1 HD3 LYS 43 - HB2 LYS 73 OK 13 62 - 20 - 5170/2.9=2, 5177/2.9=1 HD2 LYS 43 - HB2 LYS 73 OK 12 57 - 21 - 5170/2.9=2, 5187/2.9=1 HD2 LYS 17 - HB3 LYS 16 lone 9 99 - 9 - 2860/4.7=4, 4.8/7998=2 HD2 LYS 17 - HB2 LYS 16 lone 9 99 - 9 - 2860/4.7=4, 4.8/7996=2 HD2 LYS 40 - HB2 LYS 20 poor 9 67 - 13 - HD2 LYS 40 - HB3 LYS 20 poor 9 67 - 13 - HD3 LYS 40 - HB2 LYS 20 poor 9 66 - 13 - HD3 LYS 40 - HB3 LYS 20 poor 9 66 - 13 - HD3 LYS 96 - HB2 LYS 20 lone 7 68 - 9 - HD3 LYS 96 - HB3 LYS 20 lone 7 68 - 9 - HD2 LYS 96 - HB3 LYS 20 lone 6 66 - 10 - HD2 LYS 96 - HB2 LYS 20 lone 6 66 - 10 - HD3 LYS 96 - HB3 LYS 73 lone 6 67 - 9 - HD2 LYS 96 - HB3 LYS 73 lone 6 65 - 9 - HD3 LYS 20 - HB2 LYS 16 lone 6 100 - 6 - HD2 LYS 20 - HB2 LYS 16 lone 6 100 - 5 - HD3 LYS 20 - HB3 LYS 16 lone 5 100 - 5 - HD2 LYS 20 - HB3 LYS 16 lone 5 100 - 5 - HD3 LYS 96 - HB2 LYS 73 lone 5 62 - 9 - HD2 LYS 96 - HB2 LYS 73 lone 5 60 - 9 - HD2 LYS 73 - HB2 LYS 16 lone 5 100 - 5 - HD3 LYS 73 - HB2 LYS 16 lone 5 100 - 5 - HD2 LYS 73 - HB3 LYS 16 lone 5 100 - 5 - HD3 LYS 73 - HB3 LYS 16 lone 5 100 - 5 - HD2 LYS 40 - HB3 LYS 73 lone 4 66 - 6 - HD3 LYS 40 - HB3 LYS 73 lone 4 65 - 6 - HD2 LYS 16 - HB3 LYS 20 lone 4 69 - 5 - HD2 LYS 16 - HB2 LYS 20 lone 4 69 - 5 - HG LEU 74 - HB2 LYS 16 lone 4 65 - 6 - 2.1/11277=2, ~11277=1 HD3 LYS 16 - HB2 LYS 20 lone 4 68 - 5 - HD3 LYS 16 - HB3 LYS 20 lone 4 68 - 5 - HG LEU 74 - HB3 LYS 16 lone 4 65 - 6 - 2.1/11277=2, ~11277=1 HD2 LYS 40 - HB2 LYS 73 lone 4 61 - 6 - HD3 LYS 40 - HB2 LYS 73 lone 4 60 - 6 - HG3 ARG 95 - HB2 LYS 20 lone 3 58 - 6 - HG3 ARG 95 - HB3 LYS 20 lone 3 58 - 6 - HD2 LYS 17 - HB2 LYS 20 lone 3 66 - 5 - 4.8/7998=2 HD2 LYS 17 - HB3 LYS 20 lone 3 66 - 5 - 4.8/7998=2 HD2 LYS 16 - HB3 LYS 73 lone 3 68 - 5 - HG3 ARG 95 - HB2 LYS 16 lone 3 92 - 3 - HG3 ARG 95 - HB3 LYS 16 lone 3 92 - 3 - HD3 LYS 16 - HB3 LYS 73 lone 3 67 - 4 - HD2 LYS 16 - HB2 LYS 73 lone 3 63 - 5 - HD3 LYS 16 - HB2 LYS 73 lone 3 62 - 4 - HG3 ARG 95 - HB3 LYS 73 lone 3 57 - 4 - HG12 ILE 71 - HB3 LYS 73 lone 3 61 - 4 - HG12 ILE 71 - HB2 LYS 73 lone 2 56 - 4 - HG3 ARG 95 - HB2 LYS 73 lone 2 52 - 4 - HG LEU 74 - HB3 LYS 73 lone 2 37 - 6 - 5234/4.3=3 HG LEU 74 - HB2 LYS 73 lone 2 34 - 6 - 5234/4.3=3 HB ILE 56 - HB3 LYS 20 lone 2 68 - 3 - HB ILE 56 - HB2 LYS 20 lone 2 68 - 3 - HD3 LYS 43 - HB2 LYS 16 lone 2 100 - 2 - HD3 LYS 43 - HB3 LYS 16 lone 2 100 - 2 - HD2 LYS 43 - HB2 LYS 16 lone 2 97 - 2 - HD2 LYS 44 - HB2 LYS 16 lone 2 77 - 2 - HD2 LYS 43 - HB3 LYS 16 lone 2 97 - 2 - HB ILE 56 - HB3 LYS 16 lone 2 100 - 2 - HD2 LYS 44 - HB3 LYS 16 lone 2 77 - 2 - HB ILE 56 - HB2 LYS 16 lone 2 100 - 2 - HD3 LYS 96 - HB2 LYS 16 lone 2 100 - 1 - HD3 LYS 96 - HB3 LYS 16 lone 2 100 - 1 - HD2 LYS 96 - HB2 LYS 16 lone 2 99 - 1 - HD2 LYS 96 - HB3 LYS 16 lone 2 99 - 1 - HD2 LYS 44 - HB3 LYS 73 lone 2 45 - 3 - HD3 LYS 44 - HB2 LYS 16 lone 2 69 - 2 - HD3 LYS 44 - HB3 LYS 16 lone 2 70 - 2 - HD2 LYS 44 - HB2 LYS 73 lone 1 41 - 3 - HD3 LYS 44 - HB3 LYS 73 lone 1 40 - 3 - HD3 LYS 44 - HB2 LYS 73 lone 1 36 - 3 - HG3 LYS 123 - HB3 LYS 16 lone 1 84 - 1 - HG3 LYS 123 - HB2 LYS 16 lone 1 84 - 1 - HD3 LYS 39 - HB3 LYS 73 lone 1 35 - 3 - HG12 ILE 71 - HB3 LYS 16 lone 1 96 - 1 - HG12 ILE 71 - HB2 LYS 16 lone 1 95 - 1 - HD2 LYS 44 - HB3 LYS 20 lone 1 46 - 2 - HD2 LYS 44 - HB2 LYS 20 lone 1 46 - 2 - HD3 LYS 39 - HB2 LYS 20 lone 1 35 - 2 - HD3 LYS 39 - HB3 LYS 20 lone 1 35 - 2 - HD3 LYS 39 - HB2 LYS 73 lone 1 31 - 3 - HD3 LYS 44 - HB3 LYS 20 lone 1 41 - 2 - HD3 LYS 44 - HB2 LYS 20 lone 1 41 - 2 - HG3 LYS 39 - HB3 LYS 16 lone 1 84 - 1 - HG3 LYS 39 - HB2 LYS 16 lone 1 84 - 1 - HB ILE 54 - HB2 LYS 16 lone 1 99 - 1 - HB ILE 54 - HB3 LYS 16 lone 1 99 - 1 - HG3 LYS 39 - HB2 LYS 20 lone 1 51 - 1 - HG3 LYS 39 - HB3 LYS 20 lone 1 51 - 1 - HD2 LYS 17 - HB3 LYS 73 lone 1 65 - 1 - HB ILE 54 - HB2 LYS 20 lone 1 67 - 1 - HB ILE 54 - HB3 LYS 20 lone 1 67 - 1 - HG3 LYS 39 - HB3 LYS 73 lone 1 50 - 1 - HD2 LYS 17 - HB2 LYS 73 lone 1 60 - 1 - HG3 LYS 39 - HB2 LYS 73 lone 0 46 - 1 - HG12 ILE 71 - HB3 LYS 20 lone 0 62 - 1 - HG12 ILE 71 - HB2 LYS 20 lone 0 62 - 1 - HD3 LYS 39 - HB2 LYS 16 lone 0 61 - 1 - HD3 LYS 39 - HB3 LYS 16 lone 0 61 - 1 - HG LEU 74 - HB2 LYS 20 lone 0 38 - 1 - HG LEU 74 - HB3 LYS 20 lone 0 38 - 1 - HG3 LYS 123 - HB3 LYS 73 lone 0 50 - 1 - HG3 LYS 123 - HB2 LYS 73 lone 0 46 - 1 - HB ILE 56 - HB3 LYS 73 lone 0 67 - 0 - HB ILE 54 - HB3 LYS 73 lone 0 66 - 0 - HG3 LYS 123 - HB3 LYS 20 lone 0 51 - 1 - HG3 LYS 123 - HB2 LYS 20 lone 0 51 - 1 - HB ILE 56 - HB2 LYS 73 lone 0 62 - 0 - HB ILE 54 - HB2 LYS 73 lone 0 61 - 0 - Peak 2747 from cnoeabs.peaks (1.69, 1.88, 32.16 ppm; 2.67 A): 10 out of 144 assignments used, quality = 1.00: * HD3 LYS 16 + HB3 LYS 16 OK 79 100 - 79 - 3.6=40, 2757/3.0=7...(45) HD3 LYS 16 + HB2 LYS 16 OK 79 100 - 79 - 3.6=40, 2757/3.0=7...(45) HD2 LYS 16 + HB3 LYS 16 OK 79 100 - 79 - 3.6=40, 2757/3.0=7...(45) HD2 LYS 16 + HB2 LYS 16 OK 78 100 - 79 - 3.6=40, 2757/3.0=7...(45) HD2 LYS 20 + HB3 LYS 20 OK 55 69 - 80 - 3.4=46, 3078/2.9=6...(37) HD2 LYS 20 + HB2 LYS 20 OK 55 69 - 80 - 3.4=46, 3078/2.9=6...(37) HD3 LYS 20 + HB2 LYS 20 OK 55 69 - 80 - 3.4=46, 3078/2.9=6...(37) HD3 LYS 20 + HB3 LYS 20 OK 55 69 - 80 - 3.4=46, 3078/2.9=6...(37) HD2 LYS 73 + HB3 LYS 73 OK 48 66 - 72 - 3.8=33, 5169/2.9=6...(35) HD3 LYS 73 + HB3 LYS 73 OK 47 65 - 72 - 3.8=33, 5169/2.9=6...(35) HD2 LYS 73 - HB2 LYS 73 OK 44 61 - 72 - 3.8=33, 5169/2.9=6...(35) HD3 LYS 73 - HB2 LYS 73 OK 43 60 - 72 - 3.8=33, 5169/2.9=6...(35) HD2 LYS 40 - HB2 LYS 16 OK 26 97 - 27 - 2756/3.0=2, 2772=2...(6) HD2 LYS 40 - HB3 LYS 16 OK 26 97 - 27 - 2756/3.0=2, 2772=2...(6) HD3 LYS 40 - HB2 LYS 16 OK 26 95 - 27 - 2756/3.0=2, 2772=2...(6) HD3 LYS 40 - HB3 LYS 16 OK 26 96 - 27 - 2756/3.0=2, 2772=2...(6) HD2 LYS 73 - HB3 LYS 20 OK 19 67 - 29 - 3078/2.9=2, 3068/2.9=2 HD2 LYS 73 - HB2 LYS 20 OK 19 67 - 29 - 3078/2.9=2, 3068/2.9=2 HD3 LYS 73 - HB2 LYS 20 OK 19 66 - 29 - 3078/2.9=2, 3068/2.9=2 HD3 LYS 73 - HB3 LYS 20 OK 19 66 - 29 - 3078/2.9=2, 3068/2.9=2 HD3 LYS 43 - HB2 LYS 20 OK 19 66 - 29 - 3068/2.9=2, 3078/2.9=2...(5) HD3 LYS 43 - HB3 LYS 20 OK 19 66 - 29 - 3068/2.9=2, 3078/2.9=2...(5) HD2 LYS 43 - HB2 LYS 20 OK 17 58 - 29 - 3069/2.9=2, 3079/2.9=2...(5) HD2 LYS 43 - HB3 LYS 20 OK 17 58 - 29 - 3069/2.9=2, 3079/2.9=2...(5) HD2 LYS 20 - HB3 LYS 73 OK 14 68 - 21 - 5169/2.9=2, 5177/2.9=1 HD3 LYS 20 - HB3 LYS 73 OK 14 68 - 21 - 5169/2.9=2, 5177/2.9=1 HD3 LYS 43 - HB3 LYS 73 OK 13 65 - 20 - 5169/2.9=1, 5177/2.9=1 HD2 LYS 20 - HB2 LYS 73 OK 13 62 - 21 - 5169/2.9=2, 5177/2.9=1 HD3 LYS 20 - HB2 LYS 73 OK 13 62 - 21 - 5169/2.9=2, 5177/2.9=1 HD3 LYS 43 - HB2 LYS 73 OK 12 60 - 20 - 5169/2.9=1, 5177/2.9=1 HD2 LYS 43 - HB3 LYS 73 OK 12 57 - 21 - 5170/2.9=1, 5187/2.9=1 HD2 LYS 43 - HB2 LYS 73 OK 11 52 - 21 - 5170/2.9=1, 5187/2.9=1 HD2 LYS 17 - HB3 LYS 16 lone 9 96 - 9 - 2860/4.7=3, 4.8/7998=2 HD2 LYS 17 - HB2 LYS 16 lone 9 95 - 9 - 2860/4.7=3, 4.8/7998=2 HD2 LYS 40 - HB2 LYS 20 poor 8 63 - 13 - HD2 LYS 40 - HB3 LYS 20 poor 8 63 - 13 - HD3 LYS 40 - HB3 LYS 20 poor 8 62 - 13 - HD3 LYS 40 - HB2 LYS 20 poor 8 62 - 13 - HD3 LYS 96 - HB2 LYS 20 lone 6 65 - 9 - HD3 LYS 96 - HB3 LYS 20 lone 6 65 - 9 - HD2 LYS 96 - HB2 LYS 20 lone 6 62 - 10 - HD2 LYS 96 - HB3 LYS 20 lone 6 62 - 10 - HD3 LYS 96 - HB3 LYS 73 lone 6 64 - 9 - HD2 LYS 20 - HB2 LYS 16 lone 6 100 - 5 - HD3 LYS 20 - HB2 LYS 16 lone 6 100 - 5 - HD2 LYS 20 - HB3 LYS 16 lone 5 100 - 5 - HD3 LYS 20 - HB3 LYS 16 lone 5 100 - 5 - HD2 LYS 96 - HB3 LYS 73 lone 5 61 - 9 - HD3 LYS 96 - HB2 LYS 73 lone 5 59 - 9 - HD2 LYS 73 - HB2 LYS 16 lone 5 99 - 5 - HD3 LYS 73 - HB2 LYS 16 lone 5 99 - 5 - HD2 LYS 96 - HB2 LYS 73 lone 5 56 - 9 - HD2 LYS 73 - HB3 LYS 16 lone 5 99 - 5 - HD3 LYS 73 - HB3 LYS 16 lone 5 99 - 5 - HG LEU 74 - HB2 LYS 16 lone 5 77 - 6 - 2.1/11277=2, ~11277=1 HG LEU 74 - HB3 LYS 16 lone 5 77 - 6 - 2.1/11277=2, ~11277=1 HD3 LYS 16 - HB2 LYS 20 lone 4 69 - 5 - HD3 LYS 16 - HB3 LYS 20 lone 4 69 - 5 - HD2 LYS 16 - HB3 LYS 20 lone 4 68 - 5 - HD2 LYS 16 - HB2 LYS 20 lone 4 68 - 5 - HD2 LYS 40 - HB3 LYS 73 lone 4 62 - 6 - HD3 LYS 40 - HB3 LYS 73 lone 4 61 - 6 - HD2 LYS 40 - HB2 LYS 73 lone 3 57 - 6 - HD3 LYS 40 - HB2 LYS 73 lone 3 56 - 6 - HD2 LYS 16 - HB3 LYS 73 lone 3 67 - 4 - HD3 LYS 16 - HB3 LYS 73 lone 3 68 - 4 - HD2 LYS 17 - HB2 LYS 20 lone 3 62 - 5 - 4.8/7998=2 HD2 LYS 17 - HB3 LYS 20 lone 3 62 - 5 - 4.8/7998=2 HG3 ARG 95 - HB2 LYS 20 lone 3 51 - 6 - HG3 ARG 95 - HB3 LYS 20 lone 3 51 - 6 - HD2 LYS 16 - HB2 LYS 73 lone 3 62 - 5 - HG LEU 74 - HB3 LYS 73 lone 3 45 - 6 - 5234/4.3=4 HD3 LYS 16 - HB2 LYS 73 lone 3 63 - 4 - HG3 ARG 95 - HB2 LYS 16 lone 3 84 - 3 - HG12 ILE 71 - HB3 LYS 73 lone 3 65 - 4 - HG3 ARG 95 - HB3 LYS 16 lone 3 84 - 3 - HG LEU 74 - HB2 LYS 73 lone 3 41 - 6 - 5234/4.3=4 HG12 ILE 71 - HB2 LYS 73 lone 3 60 - 4 - HG3 ARG 95 - HB3 LYS 73 lone 2 50 - 4 - HG3 ARG 95 - HB2 LYS 73 lone 2 46 - 4 - HD2 LYS 44 - HB3 LYS 73 lone 2 53 - 3 - HD2 LYS 44 - HB2 LYS 16 lone 2 87 - 2 - HB ILE 56 - HB3 LYS 20 lone 2 69 - 3 - HB ILE 56 - HB2 LYS 20 lone 2 69 - 3 - HD2 LYS 44 - HB3 LYS 16 lone 2 87 - 2 - HD3 LYS 44 - HB2 LYS 16 lone 2 80 - 2 - HD3 LYS 44 - HB3 LYS 16 lone 2 81 - 2 - HD3 LYS 44 - HB3 LYS 73 lone 2 48 - 4 - HD2 LYS 44 - HB2 LYS 73 lone 2 48 - 3 - HD3 LYS 43 - HB2 LYS 16 lone 2 99 - 2 - HD3 LYS 43 - HB3 LYS 16 lone 2 99 - 2 - HB ILE 56 - HB3 LYS 16 lone 2 100 - 2 - HB ILE 56 - HB2 LYS 16 lone 2 100 - 1 - HD2 LYS 43 - HB2 LYS 16 lone 1 92 - 2 - HD3 LYS 44 - HB2 LYS 73 lone 2 44 - 3 - HD2 LYS 43 - HB3 LYS 16 lone 1 92 - 2 - HD3 LYS 96 - HB2 LYS 16 lone 1 98 - 1 - HD3 LYS 96 - HB3 LYS 16 lone 1 98 - 1 - HD2 LYS 96 - HB2 LYS 16 lone 1 95 - 1 - HD2 LYS 96 - HB3 LYS 16 lone 1 96 - 1 - HG3 LYS 123 - HB3 LYS 16 lone 1 92 - 1 - HG3 LYS 123 - HB2 LYS 16 lone 1 92 - 1 - HD3 LYS 39 - HB3 LYS 73 lone 1 43 - 3 - HD2 LYS 39 - HB3 LYS 73 lone 1 40 - 3 - HD3 LYS 39 - HB3 LYS 20 lone 1 43 - 2 - HD3 LYS 39 - HB2 LYS 20 lone 1 43 - 2 - HD3 LYS 39 - HB2 LYS 73 lone 1 39 - 3 - HD2 LYS 44 - HB2 LYS 20 lone 1 54 - 2 - HD2 LYS 44 - HB3 LYS 20 lone 1 54 - 2 - HD2 LYS 39 - HB2 LYS 20 lone 1 41 - 2 - HD2 LYS 39 - HB3 LYS 20 lone 1 41 - 2 - HD2 LYS 39 - HB2 LYS 73 lone 1 36 - 3 - HD3 LYS 44 - HB2 LYS 20 lone 1 49 - 2 - HD3 LYS 44 - HB3 LYS 20 lone 1 49 - 2 - HG12 ILE 71 - HB3 LYS 16 lone 1 99 - 1 - HG12 ILE 71 - HB2 LYS 16 lone 1 99 - 1 - HG3 LYS 39 - HB3 LYS 16 lone 1 92 - 1 - HG3 LYS 39 - HB2 LYS 16 lone 1 92 - 1 - HG3 LYS 39 - HB2 LYS 20 lone 1 58 - 1 - HG3 LYS 39 - HB3 LYS 20 lone 1 58 - 1 - HB ILE 54 - HB2 LYS 16 lone 1 97 - 1 - HB ILE 54 - HB3 LYS 16 lone 1 97 - 1 - HG3 LYS 39 - HB3 LYS 73 lone 1 57 - 1 - HG3 LYS 39 - HB2 LYS 73 lone 1 52 - 1 - HD3 LYS 39 - HB2 LYS 16 lone 1 73 - 1 - HD3 LYS 39 - HB3 LYS 16 lone 1 73 - 1 - HG LEU 74 - HB3 LYS 20 lone 1 46 - 1 - HG LEU 74 - HB2 LYS 20 lone 1 46 - 1 - HD2 LYS 17 - HB3 LYS 73 lone 1 61 - 1 - HD2 LYS 39 - HB2 LYS 16 lone 1 69 - 1 - HD2 LYS 39 - HB3 LYS 16 lone 1 70 - 1 - HB ILE 54 - HB3 LYS 20 lone 1 63 - 1 - HB ILE 54 - HB2 LYS 20 lone 1 63 - 1 - HG3 LYS 123 - HB3 LYS 73 lone 1 57 - 1 - HD2 LYS 17 - HB2 LYS 73 lone 0 56 - 1 - HG12 ILE 71 - HB2 LYS 20 lone 0 66 - 1 - HG12 ILE 71 - HB3 LYS 20 lone 0 66 - 1 - HG3 LYS 123 - HB2 LYS 73 lone 0 52 - 1 - HB ILE 56 - HB3 LYS 73 lone 0 68 - 0 - HG3 LYS 123 - HB3 LYS 20 lone 0 58 - 1 - HG3 LYS 123 - HB2 LYS 20 lone 0 58 - 1 - HB ILE 54 - HB3 LYS 73 lone 0 62 - 0 - HB ILE 56 - HB2 LYS 73 lone 0 63 - 0 - HB ILE 54 - HB2 LYS 73 lone 0 57 - 0 - Peak 2748 from cnoeabs.peaks (2.91, 1.88, 32.16 ppm; 3.77 A): 4 out of 84 assignments used, quality = 1.00: HE3 LYS 16 + HB2 LYS 16 OK 89 100 - 89 - 5.1=41, 2804/3.0=11...(43) HE2 LYS 16 + HB2 LYS 16 OK 89 100 - 89 - 5.1=41, 2804/3.0=11...(43) HE3 LYS 16 + HB3 LYS 16 OK 89 100 - 89 - 5.1=41, 2804/3.0=11...(43) * HE2 LYS 16 + HB3 LYS 16 OK 89 100 - 89 - 5.1=41, 2794/3.0=11...(43) HE3 LYS 17 - HB2 LYS 16 poor 10 92 - 10 - 7.2/84=2, 6.5/7996=2 HE3 LYS 17 - HB3 LYS 16 poor 9 92 - 10 - 7.2/84=2, 6.5/7998=2 HE2 LYS 115 - HB2 LYS 16 lone 7 100 - 7 - HE3 LYS 115 - HB2 LYS 16 lone 7 100 - 7 - HE2 LYS 115 - HB3 LYS 16 lone 7 100 - 7 - HE3 LYS 115 - HB3 LYS 16 lone 7 100 - 7 - HE3 LYS 16 - HB3 LYS 20 lone 5 69 - 7 - HE3 LYS 16 - HB2 LYS 20 lone 5 69 - 7 - HE2 LYS 16 - HB2 LYS 20 lone 5 69 - 7 - HE2 LYS 16 - HB3 LYS 20 lone 5 69 - 7 - HE2 LYS 65 - HB3 LYS 16 lone 5 98 - 5 - HE3 LYS 65 - HB3 LYS 16 lone 5 98 - 5 - HE2 LYS 65 - HB2 LYS 16 lone 5 98 - 5 - HE3 LYS 65 - HB2 LYS 16 lone 5 98 - 5 - HE3 LYS 16 - HB3 LYS 73 lone 4 68 - 6 - HE2 LYS 16 - HB3 LYS 73 lone 4 68 - 6 - HE3 LYS 16 - HB2 LYS 73 lone 4 63 - 6 - HE2 LYS 16 - HB2 LYS 73 lone 4 63 - 6 - HE3 LYS 17 - HB3 LYS 20 lone 4 58 - 7 - 6.5/7996=2, 7.2/85=1 HE3 LYS 17 - HB2 LYS 20 lone 4 58 - 7 - 6.5/7996=2, 7.2/85=1 HE3 LYS 94 - HB2 LYS 16 lone 1 97 - 1 - HE3 LYS 94 - HB3 LYS 16 lone 1 97 - 1 - HB2 ASN 33 - HB3 LYS 16 lone 1 100 - 1 - HB2 ASN 33 - HB2 LYS 16 lone 1 100 - 1 - HE3 LYS 94 - HB3 LYS 20 lone 1 63 - 1 - HE3 LYS 94 - HB2 LYS 20 lone 1 63 - 1 - HE3 LYS 17 - HB3 LYS 73 lone 1 57 - 1 - HE3 LYS 115 - HB2 LYS 20 lone 1 69 - 1 - HE2 LYS 115 - HB2 LYS 20 lone 1 69 - 1 - HE2 LYS 115 - HB3 LYS 20 lone 1 69 - 1 - HE3 LYS 115 - HB3 LYS 20 lone 1 69 - 1 - HB2 ASP 34 - HB3 LYS 16 lone 1 100 - 1 - HB2 ASP 34 - HB2 LYS 16 lone 1 100 - 1 - HE3 LYS 17 - HB2 LYS 73 lone 1 52 - 1 - HE2 LYS 65 - HB3 LYS 20 lone 1 65 - 1 - HE2 LYS 65 - HB2 LYS 20 lone 1 65 - 1 - HE3 LYS 65 - HB3 LYS 20 lone 1 65 - 1 - HE3 LYS 65 - HB2 LYS 20 lone 1 65 - 1 - HB2 ASN 10 - HB3 LYS 16 lone 0 99 - 0 - HB2 ASN 10 - HB2 LYS 16 lone 0 99 - 0 - HB3 ASN 88 - HB3 LYS 16 lone 0 99 - 0 - HB3 ASN 88 - HB2 LYS 16 lone 0 99 - 0 - HE2 LYS 65 - HB3 LYS 73 lone 0 64 - 1 - HE3 LYS 65 - HB3 LYS 73 lone 0 64 - 1 - HE2 LYS 115 - HB3 LYS 73 lone 0 68 - 1 - HE3 LYS 115 - HB3 LYS 73 lone 0 68 - 1 - HB2 ASN 33 - HB3 LYS 73 lone 0 68 - 1 - HE3 LYS 65 - HB2 LYS 73 lone 0 59 - 1 - HE2 LYS 65 - HB2 LYS 73 lone 0 59 - 1 - HE3 LYS 115 - HB2 LYS 73 lone 0 62 - 1 - HE2 LYS 115 - HB2 LYS 73 lone 0 62 - 1 - HB2 ASN 33 - HB2 LYS 73 lone 0 63 - 1 - HE3 LYS 94 - HB3 LYS 73 lone 0 62 - 1 - HB2 ASN 33 - HB2 LYS 20 lone 0 69 - 1 - HB2 ASN 33 - HB3 LYS 20 lone 0 69 - 1 - HB2 ASP 34 - HB3 LYS 73 lone 0 68 - 1 - HE3 LYS 94 - HB2 LYS 73 lone 0 57 - 1 - HB2 ASP 34 - HB2 LYS 20 lone 0 69 - 0 - HB2 ASP 34 - HB3 LYS 20 lone 0 69 - 0 - HB2 ASP 34 - HB2 LYS 73 lone 0 62 - 1 - HB2 ASN 8 - HB3 LYS 16 lone 0 61 - 1 - HB2 ASN 8 - HB2 LYS 16 lone 0 61 - 1 - HB2 ASP 86 - HB3 LYS 16 lone 0 70 - 0 - HB2 ASP 86 - HB2 LYS 16 lone 0 69 - 0 - HB2 ASN 10 - HB3 LYS 20 lone 0 67 - 0 - HB2 ASN 10 - HB2 LYS 20 lone 0 67 - 0 - HB3 ASN 88 - HB2 LYS 20 lone 0 66 - 0 - HB3 ASN 88 - HB3 LYS 20 lone 0 66 - 0 - HB2 ASN 10 - HB3 LYS 73 lone 0 66 - 0 - HB3 ASN 88 - HB3 LYS 73 lone 0 65 - 0 - HB2 ASN 10 - HB2 LYS 73 lone 0 61 - 0 - HB3 ASN 88 - HB2 LYS 73 lone 0 60 - 0 - HB2 ASP 86 - HB2 LYS 20 lone 0 41 - 0 - HB2 ASP 86 - HB3 LYS 20 lone 0 41 - 0 - HB2 ASP 86 - HB3 LYS 73 lone 0 40 - 0 - HB2 ASN 8 - HB3 LYS 73 lone 0 35 - 0 - HB2 ASP 86 - HB2 LYS 73 lone 0 36 - 0 - HB2 ASN 8 - HB2 LYS 20 lone 0 35 - 0 - HB2 ASN 8 - HB3 LYS 20 lone 0 35 - 0 - HB2 ASN 8 - HB2 LYS 73 lone 0 31 - 0 - Peak 2749 from cnoeabs.peaks (2.91, 1.88, 32.16 ppm; 3.77 A): 4 out of 84 assignments used, quality = 1.00: HE3 LYS 16 + HB2 LYS 16 OK 89 100 - 89 - 5.1=41, 2804/3.0=11...(43) HE2 LYS 16 + HB2 LYS 16 OK 89 100 - 89 - 5.1=41, 2804/3.0=11...(43) * HE3 LYS 16 + HB3 LYS 16 OK 89 100 - 89 - 5.1=41, 2804/3.0=11...(43) HE2 LYS 16 + HB3 LYS 16 OK 89 100 - 89 - 5.1=41, 2794/3.0=11...(43) HE3 LYS 17 - HB2 LYS 16 poor 10 92 - 10 - 7.2/84=2, 6.5/7996=2 HE3 LYS 17 - HB3 LYS 16 poor 9 92 - 10 - 7.2/84=2, 6.5/7998=2 HE2 LYS 115 - HB2 LYS 16 lone 7 100 - 7 - HE3 LYS 115 - HB2 LYS 16 lone 7 100 - 7 - HE2 LYS 115 - HB3 LYS 16 lone 7 100 - 7 - HE3 LYS 115 - HB3 LYS 16 lone 7 100 - 7 - HE3 LYS 16 - HB3 LYS 20 lone 5 69 - 7 - HE3 LYS 16 - HB2 LYS 20 lone 5 69 - 7 - HE2 LYS 16 - HB2 LYS 20 lone 5 69 - 7 - HE2 LYS 16 - HB3 LYS 20 lone 5 69 - 7 - HE2 LYS 65 - HB3 LYS 16 lone 5 98 - 5 - HE3 LYS 65 - HB3 LYS 16 lone 5 98 - 5 - HE2 LYS 65 - HB2 LYS 16 lone 5 98 - 5 - HE3 LYS 65 - HB2 LYS 16 lone 5 98 - 5 - HE3 LYS 16 - HB3 LYS 73 lone 4 68 - 6 - HE2 LYS 16 - HB3 LYS 73 lone 4 68 - 6 - HE3 LYS 16 - HB2 LYS 73 lone 4 63 - 6 - HE2 LYS 16 - HB2 LYS 73 lone 4 63 - 6 - HE3 LYS 17 - HB3 LYS 20 lone 4 58 - 7 - 6.5/7996=2, 7.2/85=1 HE3 LYS 17 - HB2 LYS 20 lone 4 58 - 7 - 6.5/7996=2, 7.2/85=1 HE3 LYS 94 - HB2 LYS 16 lone 1 97 - 1 - HE3 LYS 94 - HB3 LYS 16 lone 1 97 - 1 - HB2 ASN 33 - HB3 LYS 16 lone 1 100 - 1 - HB2 ASN 33 - HB2 LYS 16 lone 1 100 - 1 - HE3 LYS 94 - HB3 LYS 20 lone 1 63 - 1 - HE3 LYS 94 - HB2 LYS 20 lone 1 63 - 1 - HE3 LYS 17 - HB3 LYS 73 lone 1 57 - 1 - HE3 LYS 115 - HB2 LYS 20 lone 1 69 - 1 - HE2 LYS 115 - HB2 LYS 20 lone 1 69 - 1 - HE2 LYS 115 - HB3 LYS 20 lone 1 69 - 1 - HE3 LYS 115 - HB3 LYS 20 lone 1 69 - 1 - HB2 ASP 34 - HB3 LYS 16 lone 1 100 - 1 - HB2 ASP 34 - HB2 LYS 16 lone 1 100 - 1 - HE3 LYS 17 - HB2 LYS 73 lone 1 52 - 1 - HE2 LYS 65 - HB3 LYS 20 lone 1 65 - 1 - HE2 LYS 65 - HB2 LYS 20 lone 1 65 - 1 - HE3 LYS 65 - HB3 LYS 20 lone 1 65 - 1 - HE3 LYS 65 - HB2 LYS 20 lone 1 65 - 1 - HB2 ASN 10 - HB3 LYS 16 lone 0 99 - 0 - HB2 ASN 10 - HB2 LYS 16 lone 0 99 - 0 - HB3 ASN 88 - HB3 LYS 16 lone 0 99 - 0 - HB3 ASN 88 - HB2 LYS 16 lone 0 99 - 0 - HE2 LYS 65 - HB3 LYS 73 lone 0 64 - 1 - HE3 LYS 65 - HB3 LYS 73 lone 0 64 - 1 - HE2 LYS 115 - HB3 LYS 73 lone 0 68 - 1 - HE3 LYS 115 - HB3 LYS 73 lone 0 68 - 1 - HB2 ASN 33 - HB3 LYS 73 lone 0 68 - 1 - HE3 LYS 65 - HB2 LYS 73 lone 0 59 - 1 - HE2 LYS 65 - HB2 LYS 73 lone 0 59 - 1 - HE3 LYS 115 - HB2 LYS 73 lone 0 62 - 1 - HE2 LYS 115 - HB2 LYS 73 lone 0 62 - 1 - HB2 ASN 33 - HB2 LYS 73 lone 0 63 - 1 - HE3 LYS 94 - HB3 LYS 73 lone 0 62 - 1 - HB2 ASN 33 - HB2 LYS 20 lone 0 69 - 1 - HB2 ASN 33 - HB3 LYS 20 lone 0 69 - 1 - HB2 ASP 34 - HB3 LYS 73 lone 0 68 - 1 - HE3 LYS 94 - HB2 LYS 73 lone 0 57 - 1 - HB2 ASP 34 - HB2 LYS 20 lone 0 69 - 0 - HB2 ASP 34 - HB3 LYS 20 lone 0 69 - 0 - HB2 ASP 34 - HB2 LYS 73 lone 0 62 - 1 - HB2 ASN 8 - HB3 LYS 16 lone 0 61 - 1 - HB2 ASN 8 - HB2 LYS 16 lone 0 61 - 1 - HB2 ASP 86 - HB3 LYS 16 lone 0 70 - 0 - HB2 ASP 86 - HB2 LYS 16 lone 0 69 - 0 - HB2 ASN 10 - HB3 LYS 20 lone 0 67 - 0 - HB2 ASN 10 - HB2 LYS 20 lone 0 67 - 0 - HB3 ASN 88 - HB2 LYS 20 lone 0 66 - 0 - HB3 ASN 88 - HB3 LYS 20 lone 0 66 - 0 - HB2 ASN 10 - HB3 LYS 73 lone 0 66 - 0 - HB3 ASN 88 - HB3 LYS 73 lone 0 65 - 0 - HB2 ASN 10 - HB2 LYS 73 lone 0 61 - 0 - HB3 ASN 88 - HB2 LYS 73 lone 0 60 - 0 - HB2 ASP 86 - HB2 LYS 20 lone 0 41 - 0 - HB2 ASP 86 - HB3 LYS 20 lone 0 41 - 0 - HB2 ASP 86 - HB3 LYS 73 lone 0 40 - 0 - HB2 ASN 8 - HB3 LYS 73 lone 0 35 - 0 - HB2 ASP 86 - HB2 LYS 73 lone 0 36 - 0 - HB2 ASN 8 - HB2 LYS 20 lone 0 35 - 0 - HB2 ASN 8 - HB3 LYS 20 lone 0 35 - 0 - HB2 ASN 8 - HB2 LYS 73 lone 0 31 - 0 - Peak 2750 from cnoeabs.peaks (7.60, 1.63, 25.30 ppm; 3.82 A): 2 out of 7 assignments used, quality = 0.89: * H LYS 16 + HG2 LYS 16 OK 86 100 - 87 - 5.0=44, 2760/1.8=24...(16) H LEU 74 + HG2 LYS 16 OK 18 99 - 18 - 2760/1.8=5, 1106=5...(7) H LYS 115 - HG2 LYS 16 lone 7 84 - 8 - 2760/1.8=2 H ASP 34 - HG2 LYS 16 lone 3 87 - 3 - HE ARG 105 - HG2 LYS 16 lone 2 99 - 2 - H GLN 100 - HG2 LYS 16 lone 1 61 - 1 - HE21 GLN 85 - HG2 LYS 16 lone 0 57 - 1 - Peak 2751 from cnoeabs.peaks (3.84, 1.63, 25.30 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 16 + HG2 LYS 16 OK 100 100 - 100 - 3.8=100 Peak 2752 from cnoeabs.peaks (1.88, 1.63, 25.30 ppm; 3.51 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 16 + HG2 LYS 16 OK 100 100 - 100 - 3.0=100 HB3 LYS 16 + HG2 LYS 16 OK 100 100 - 100 - 3.0=100 Peak 2753 from cnoeabs.peaks (1.88, 1.63, 25.30 ppm; 3.51 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 16 + HG2 LYS 16 OK 100 100 - 100 - 3.0=100 HB2 LYS 16 + HG2 LYS 16 OK 100 100 - 100 - 3.0=100 Peak 2754 from cnoeabs.peaks (1.63, 1.63, 25.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 16 + HG2 LYS 16 OK 100 100 - 100 Peak 2755 from cnoeabs.peaks (1.40, 1.63, 25.30 ppm; 2.64 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 16 + HG2 LYS 16 OK 100 100 - 100 - 1.8=100 Peak 2756 from cnoeabs.peaks (1.69, 1.63, 25.30 ppm; 2.62 A): 2 out of 23 assignments used, quality = 0.99: * HD2 LYS 16 + HG2 LYS 16 OK 89 100 - 89 - 2.9=71, 2766/1.8=9...(23) HD3 LYS 16 + HG2 LYS 16 OK 89 100 - 89 - 2.9=71, 2766/1.8=9...(23) HD2 LYS 40 - HG2 LYS 16 OK 27 99 - 28 - 2766/1.8=3, 2774=3...(8) HD3 LYS 40 - HG2 LYS 16 OK 27 99 - 28 - 2766/1.8=3, 2774=3...(9) HD2 LYS 17 - HG2 LYS 16 lone 6 99 - 6 - 6.3/7368=3 HD3 LYS 20 - HG2 LYS 16 lone 5 100 - 5 - HD2 LYS 20 - HG2 LYS 16 lone 5 100 - 5 - HD3 LYS 73 - HG2 LYS 16 lone 4 100 - 4 - HD2 LYS 73 - HG2 LYS 16 lone 4 100 - 4 - HG LEU 74 - HG2 LYS 16 lone 2 65 - 3 - 4.9/2750=1 HD3 LYS 96 - HG2 LYS 16 lone 2 100 - 2 - HD2 LYS 96 - HG2 LYS 16 lone 2 99 - 2 - HD3 LYS 43 - HG2 LYS 16 lone 2 100 - 2 - HD2 LYS 43 - HG2 LYS 16 lone 1 97 - 2 - HG3 LYS 123 - HG2 LYS 16 lone 1 84 - 2 - HG3 ARG 95 - HG2 LYS 16 lone 1 92 - 1 - HD2 LYS 44 - HG2 LYS 16 lone 1 77 - 2 - HG3 LYS 39 - HG2 LYS 16 lone 1 84 - 1 - HD3 LYS 44 - HG2 LYS 16 lone 1 70 - 2 - HB ILE 56 - HG2 LYS 16 lone 1 100 - 1 - HG12 ILE 71 - HG2 LYS 16 lone 1 96 - 1 - HD3 LYS 39 - HG2 LYS 16 lone 0 61 - 1 - HB ILE 54 - HG2 LYS 16 lone 0 99 - 0 - Peak 2757 from cnoeabs.peaks (1.69, 1.63, 25.30 ppm; 2.62 A): 2 out of 24 assignments used, quality = 0.99: * HD3 LYS 16 + HG2 LYS 16 OK 89 100 - 89 - 2.9=71, 2767/1.8=9...(23) HD2 LYS 16 + HG2 LYS 16 OK 89 100 - 89 - 2.9=71, 2767/1.8=9...(23) HD2 LYS 40 - HG2 LYS 16 OK 27 97 - 28 - 2766/1.8=3, 2774=3...(8) HD3 LYS 40 - HG2 LYS 16 OK 26 96 - 28 - 2766/1.8=3, 2774=3...(9) HD2 LYS 17 - HG2 LYS 16 lone 6 96 - 6 - 6.3/7368=3 HD2 LYS 20 - HG2 LYS 16 lone 5 100 - 5 - HD3 LYS 20 - HG2 LYS 16 lone 5 100 - 5 - HD2 LYS 73 - HG2 LYS 16 lone 4 99 - 4 - HD3 LYS 73 - HG2 LYS 16 lone 4 99 - 4 - HG LEU 74 - HG2 LYS 16 lone 3 77 - 4 - 4.9/2750=1 HD3 LYS 96 - HG2 LYS 16 lone 2 98 - 2 - HG3 LYS 123 - HG2 LYS 16 lone 2 92 - 2 - HD2 LYS 96 - HG2 LYS 16 lone 2 96 - 2 - HD3 LYS 43 - HG2 LYS 16 lone 2 99 - 1 - HD2 LYS 43 - HG2 LYS 16 lone 1 92 - 1 - HD2 LYS 44 - HG2 LYS 16 lone 1 87 - 2 - HD3 LYS 44 - HG2 LYS 16 lone 1 81 - 2 - HG3 LYS 39 - HG2 LYS 16 lone 1 92 - 1 - HG3 ARG 95 - HG2 LYS 16 lone 1 84 - 1 - HB ILE 56 - HG2 LYS 16 lone 1 100 - 1 - HG12 ILE 71 - HG2 LYS 16 lone 1 99 - 1 - HD3 LYS 39 - HG2 LYS 16 lone 1 73 - 1 - HD2 LYS 39 - HG2 LYS 16 lone 1 70 - 1 - HB ILE 54 - HG2 LYS 16 lone 0 97 - 0 - Peak 2758 from cnoeabs.peaks (2.91, 1.63, 25.30 ppm; 3.87 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 16 + HG2 LYS 16 OK 100 100 - 100 - 3.7=100 * HE2 LYS 16 + HG2 LYS 16 OK 100 100 - 100 - 3.7=100 Peak 2759 from cnoeabs.peaks (2.91, 1.63, 25.30 ppm; 3.87 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 16 + HG2 LYS 16 OK 100 100 - 100 - 3.7=100 HE2 LYS 16 + HG2 LYS 16 OK 100 100 - 100 - 3.7=100 Peak 2760 from cnoeabs.peaks (7.60, 1.40, 25.30 ppm; 4.15 A): 2 out of 7 assignments used, quality = 0.93: * H LYS 16 + HG3 LYS 16 OK 92 100 - 92 - 5.0=56, 2750/1.8=31...(17) H LEU 74 + HG3 LYS 16 OK 20 99 - 20 - 2750/1.8=6, 1107=5...(7) H LYS 115 - HG3 LYS 16 poor 9 84 - 11 - 2750/1.8=2, 721=2 H ASP 34 - HG3 LYS 16 lone 3 87 - 4 - 2750/1.8=1 HE ARG 105 - HG3 LYS 16 lone 2 99 - 2 - H GLN 100 - HG3 LYS 16 lone 1 61 - 1 - HE21 GLN 85 - HG3 LYS 16 lone 1 57 - 1 - Peak 2761 from cnoeabs.peaks (3.84, 1.40, 25.30 ppm; 3.71 A): 1 out of 3 assignments used, quality = 0.99: * HA LYS 16 + HG3 LYS 16 OK 99 100 - 99 - 3.8=94, 2724/1.8=23...(31) HA2 GLY 75 - HG3 LYS 16 lone 8 97 - 8 - 1.8/11425=2, ~11424=1 HA LYS 39 - HG3 LYS 16 lone 7 100 - 7 - 3.6/1253=2 Peak 2762 from cnoeabs.peaks (1.88, 1.40, 25.30 ppm; 3.27 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 16 + HG3 LYS 16 OK 100 100 - 100 - 3.0=100 HB3 LYS 16 + HG3 LYS 16 OK 100 100 - 100 - 3.0=100 Peak 2763 from cnoeabs.peaks (1.88, 1.40, 25.30 ppm; 3.27 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 16 + HG3 LYS 16 OK 100 100 - 100 - 3.0=100 HB2 LYS 16 + HG3 LYS 16 OK 100 100 - 100 - 3.0=100 Peak 2764 from cnoeabs.peaks (1.63, 1.40, 25.30 ppm; 2.47 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 16 + HG3 LYS 16 OK 100 100 - 100 - 1.8=100 Peak 2765 from cnoeabs.peaks (1.40, 1.40, 25.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 16 + HG3 LYS 16 OK 100 100 - 100 Peak 2766 from cnoeabs.peaks (1.69, 1.40, 25.30 ppm; 2.83 A): 2 out of 23 assignments used, quality = 1.00: * HD2 LYS 16 + HG3 LYS 16 OK 97 100 - 97 - 2.9=90, 2756/1.8=12...(25) HD3 LYS 16 + HG3 LYS 16 OK 97 100 - 97 - 2.9=90, 2756/1.8=12...(25) HD2 LYS 40 - HG3 LYS 16 OK 31 99 - 31 - 2756/1.8=4, 2775=3...(13) HD3 LYS 40 - HG3 LYS 16 OK 31 99 - 31 - 2756/1.8=4, 2775=3...(14) HD2 LYS 17 - HG3 LYS 16 lone 7 99 - 7 - 6.3/7369=3 HD3 LYS 20 - HG3 LYS 16 lone 5 100 - 5 - HD2 LYS 20 - HG3 LYS 16 lone 5 100 - 5 - HD3 LYS 73 - HG3 LYS 16 lone 4 100 - 4 - HD2 LYS 73 - HG3 LYS 16 lone 4 100 - 4 - HG LEU 74 - HG3 LYS 16 lone 3 65 - 4 - 4.9/2760=1, ~11277=1 HD3 LYS 96 - HG3 LYS 16 lone 2 100 - 2 - HD2 LYS 96 - HG3 LYS 16 lone 2 99 - 2 - HG3 LYS 123 - HG3 LYS 16 lone 2 84 - 2 - HD3 LYS 43 - HG3 LYS 16 lone 2 100 - 2 - HG3 LYS 39 - HG3 LYS 16 lone 2 84 - 2 - HD2 LYS 43 - HG3 LYS 16 lone 2 97 - 2 - HD2 LYS 44 - HG3 LYS 16 lone 1 77 - 2 - HG3 ARG 95 - HG3 LYS 16 lone 1 92 - 1 - HD3 LYS 44 - HG3 LYS 16 lone 1 70 - 2 - HB ILE 56 - HG3 LYS 16 lone 1 100 - 1 - HD3 LYS 39 - HG3 LYS 16 lone 1 61 - 1 - HG12 ILE 71 - HG3 LYS 16 lone 1 96 - 1 - HB ILE 54 - HG3 LYS 16 lone 0 99 - 0 - Peak 2767 from cnoeabs.peaks (1.69, 1.40, 25.30 ppm; 2.83 A): 2 out of 24 assignments used, quality = 1.00: * HD3 LYS 16 + HG3 LYS 16 OK 97 100 - 97 - 2.9=90, 2757/1.8=12...(25) HD2 LYS 16 + HG3 LYS 16 OK 97 100 - 97 - 2.9=90, 2757/1.8=12...(25) HD2 LYS 40 - HG3 LYS 16 OK 30 97 - 31 - 2756/1.8=4, 2775=3...(13) HD3 LYS 40 - HG3 LYS 16 OK 30 96 - 31 - 2756/1.8=4, 2775=3...(14) HD2 LYS 17 - HG3 LYS 16 lone 7 96 - 7 - 6.3/7369=3 HD2 LYS 20 - HG3 LYS 16 lone 5 100 - 5 - HD3 LYS 20 - HG3 LYS 16 lone 5 100 - 5 - HD2 LYS 73 - HG3 LYS 16 lone 4 99 - 4 - HD3 LYS 73 - HG3 LYS 16 lone 4 99 - 4 - HG LEU 74 - HG3 LYS 16 lone 3 77 - 4 - 4.9/2760=1, ~11277=1 HG3 LYS 123 - HG3 LYS 16 lone 2 92 - 2 - HD3 LYS 96 - HG3 LYS 16 lone 2 98 - 2 - HG3 LYS 39 - HG3 LYS 16 lone 2 92 - 2 - HD2 LYS 96 - HG3 LYS 16 lone 2 96 - 2 - HD3 LYS 43 - HG3 LYS 16 lone 2 99 - 2 - HD2 LYS 44 - HG3 LYS 16 lone 2 87 - 2 - HD3 LYS 44 - HG3 LYS 16 lone 2 81 - 2 - HD2 LYS 43 - HG3 LYS 16 lone 2 92 - 2 - HG3 ARG 95 - HG3 LYS 16 lone 1 84 - 1 - HB ILE 56 - HG3 LYS 16 lone 1 100 - 1 - HD3 LYS 39 - HG3 LYS 16 lone 1 73 - 1 - HD2 LYS 39 - HG3 LYS 16 lone 1 70 - 1 - HG12 ILE 71 - HG3 LYS 16 lone 1 99 - 1 - HB ILE 54 - HG3 LYS 16 lone 0 97 - 0 - Peak 2768 from cnoeabs.peaks (2.91, 1.40, 25.30 ppm; 3.72 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 16 + HG3 LYS 16 OK 100 100 - 100 - 3.7=100 * HE2 LYS 16 + HG3 LYS 16 OK 100 100 - 100 - 3.7=100 Peak 2769 from cnoeabs.peaks (2.91, 1.40, 25.30 ppm; 3.72 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 16 + HG3 LYS 16 OK 100 100 - 100 - 3.7=100 HE2 LYS 16 + HG3 LYS 16 OK 100 100 - 100 - 3.7=100 Peak 2770 from cnoeabs.peaks (7.60, 1.69, 29.24 ppm; 4.08 A): 2 out of 35 assignments used, quality = 0.98: * H LYS 16 + HD2 LYS 16 OK 86 100 - 86 - 6.1=30, 2750/2.9=24...(19) H LYS 16 + HD3 LYS 16 OK 85 99 - 86 - 6.1=30, 2750/2.9=24...(19) H LYS 16 - HD2 LYS 40 OK 37 95 - 39 - 1106/2.9=6, 3.0/2726=4...(17) H LYS 16 - HD3 LYS 40 OK 36 93 - 39 - 1106/2.9=6, 3.0/2726=4...(17) H LEU 74 - HD2 LYS 16 OK 18 99 - 18 - 2750/2.9=5, 2760/2.9=5...(6) H LEU 74 - HD3 LYS 16 OK 18 98 - 18 - 2750/2.9=5, 2760/2.9=5...(6) H LYS 115 - HD2 LYS 16 lone 7 84 - 8 - 2760/2.9=2, 2750/2.9=2 H LYS 115 - HD3 LYS 16 lone 7 82 - 8 - 2760/2.9=2, 2750/2.9=2 H LEU 74 - HD2 LYS 40 lone 5 92 - 5 - H LEU 74 - HD3 LYS 40 lone 5 91 - 5 - H LYS 16 - HD2 LYS 44 lone 3 52 - 6 - H ASP 34 - HD2 LYS 16 lone 3 87 - 4 - H ASP 34 - HD3 LYS 16 lone 3 85 - 4 - H LEU 74 - HD2 LYS 44 lone 3 50 - 5 - HE ARG 105 - HD2 LYS 16 lone 2 99 - 2 - HE ARG 105 - HD3 LYS 16 lone 2 98 - 2 - H LYS 115 - HD2 LYS 40 lone 1 75 - 2 - H LYS 115 - HD3 LYS 40 lone 1 73 - 2 - H GLN 100 - HD2 LYS 16 lone 1 61 - 1 - H GLN 100 - HD3 LYS 16 lone 1 60 - 1 - HE ARG 105 - HD2 LYS 40 lone 1 92 - 1 - HE ARG 105 - HD3 LYS 40 lone 1 91 - 1 - H ASP 34 - HD2 LYS 40 lone 1 78 - 1 - H ASP 34 - HD3 LYS 40 lone 1 76 - 1 - H GLN 100 - HD2 LYS 40 lone 1 54 - 1 - H GLN 100 - HD3 LYS 40 lone 1 52 - 1 - HE21 GLN 85 - HD2 LYS 16 lone 1 57 - 1 - HE21 GLN 85 - HD3 LYS 16 lone 0 56 - 1 - H LYS 115 - HD2 LYS 44 lone 0 38 - 1 - H ASP 34 - HD2 LYS 44 lone 0 40 - 1 - HE ARG 105 - HD2 LYS 44 lone 0 50 - 1 - HE21 GLN 85 - HD2 LYS 40 lone 0 50 - 1 - HE21 GLN 85 - HD3 LYS 40 lone 0 49 - 1 - H GLN 100 - HD2 LYS 44 lone 0 26 - 1 - HE21 GLN 85 - HD2 LYS 44 lone 0 24 - 1 - Peak 2771 from cnoeabs.peaks (3.84, 1.69, 29.24 ppm; 4.25 A): 4 out of 15 assignments used, quality = 1.00: * HA LYS 16 + HD2 LYS 16 OK 96 100 - 96 - 5.2=54, 2761/2.9=31...(39) HA LYS 16 + HD3 LYS 16 OK 96 99 - 96 - 5.2=54, 2761/2.9=31...(39) HA LYS 16 + HD2 LYS 40 OK 49 95 - 53 - 2724/2.9=8, 2725/2.9=6...(24) HA LYS 16 + HD3 LYS 40 OK 48 93 - 53 - 2724/2.9=8, 2725/2.9=6...(24) HA LYS 39 - HD2 LYS 40 OK 23 95 - 24 - 3.6/1256=5, 3560/3.6=2...(9) HA LYS 39 - HD3 LYS 40 OK 22 93 - 24 - 3.6/1256=5, 3560/3.6=2...(8) HA LYS 39 - HD2 LYS 16 OK 13 100 - 13 - 3.6/1256=2, 2761/2.9=2 HA LYS 39 - HD2 LYS 44 OK 13 52 - 25 - 3564/1.8=3, 3563=2...(10) HA LYS 39 - HD3 LYS 16 OK 12 99 - 13 - 3.6/1256=2, 2761/2.9=2 HA2 GLY 75 - HD2 LYS 16 OK 11 97 - 11 - 2761/2.9=2, ~466=2...(5) HA2 GLY 75 - HD3 LYS 16 OK 11 96 - 11 - 2761/2.9=2, ~466=1...(5) HA LYS 16 - HD2 LYS 44 lone 3 52 - 6 - HA2 GLY 75 - HD2 LYS 40 lone 1 90 - 2 - HA2 GLY 75 - HD3 LYS 40 lone 1 88 - 2 - HA2 GLY 75 - HD2 LYS 44 lone 1 48 - 1 - Peak 2772 from cnoeabs.peaks (1.88, 1.69, 29.24 ppm; 2.80 A): 4 out of 80 assignments used, quality = 1.00: * HB2 LYS 16 + HD2 LYS 16 OK 83 100 - 83 - 3.6=46, 3.0/2756=8...(49) HB3 LYS 16 + HD2 LYS 16 OK 83 100 - 83 - 3.6=46, 3.0/2756=8...(49) HB2 LYS 16 + HD3 LYS 16 OK 83 99 - 84 - 3.6=46, 3.0/2757=8...(49) HB3 LYS 16 + HD3 LYS 16 OK 83 99 - 83 - 3.6=46, 3.0/2757=8...(49) HB2 LYS 16 - HD2 LYS 40 OK 28 95 - 30 - 3.0/2756=2, 3.0/2766=2...(9) HB3 LYS 16 - HD2 LYS 40 OK 28 95 - 30 - 3.0/2756=2, 3.0/2766=2...(9) HB2 LYS 16 - HD3 LYS 40 OK 28 93 - 30 - 3.0/2756=2, 3.0/2766=2...(9) HB3 LYS 16 - HD3 LYS 40 OK 28 93 - 30 - 3.0/2756=2, 3.0/2766=2...(9) HB3 LYS 20 - HD2 LYS 40 OK 12 84 - 14 - HB2 LYS 20 - HD2 LYS 40 OK 12 84 - 14 - HB2 LYS 20 - HD3 LYS 40 OK 12 82 - 14 - HB3 LYS 20 - HD3 LYS 40 OK 12 82 - 14 - HB2 LYS 20 - HD2 LYS 16 lone 5 92 - 6 - HB3 LYS 20 - HD2 LYS 16 lone 5 92 - 6 - HB3 LYS 20 - HD3 LYS 16 lone 5 90 - 6 - HB2 LYS 20 - HD3 LYS 16 lone 5 90 - 6 - HB3 LYS 73 - HD2 LYS 40 lone 5 72 - 6 - HB3 LYS 73 - HD3 LYS 40 lone 5 70 - 6 - HB2 LYS 73 - HD2 LYS 40 lone 5 69 - 6 - HB2 LYS 73 - HD3 LYS 40 lone 4 67 - 6 - HB2 LYS 73 - HD2 LYS 16 lone 4 77 - 5 - HB3 LYS 73 - HD2 LYS 16 lone 4 81 - 5 - HB2 LYS 73 - HD3 LYS 16 lone 4 75 - 5 - HB3 LYS 73 - HD3 LYS 16 lone 4 79 - 5 - HG2 ARG 95 - HD2 LYS 40 lone 3 93 - 3 - 7791/6.2=1 HG2 ARG 95 - HD3 LYS 40 lone 3 92 - 3 - 7791/6.2=1 HG LEU 45 - HD2 LYS 44 lone 3 52 - 5 - 4013/3.7=1, 2.1/11533=1 HB2 ARG 95 - HD2 LYS 40 lone 2 62 - 3 - HB2 ARG 95 - HD3 LYS 40 lone 2 60 - 3 - HG2 ARG 95 - HD2 LYS 44 lone 2 51 - 3 - HG2 ARG 95 - HD2 LYS 16 lone 1 99 - 1 - HB3 LYS 73 - HD2 LYS 44 lone 1 36 - 4 - HG2 ARG 95 - HD3 LYS 16 lone 1 98 - 1 - HB2 LYS 16 - HD2 LYS 44 lone 1 52 - 2 - HB2 LYS 73 - HD2 LYS 44 lone 1 34 - 4 - HB3 LYS 16 - HD2 LYS 44 lone 1 52 - 2 - HB2 ARG 95 - HD2 LYS 16 lone 1 70 - 2 - HB2 ARG 95 - HD3 LYS 16 lone 1 68 - 2 - HB3 LYS 20 - HD2 LYS 44 lone 1 43 - 2 - HB2 LYS 20 - HD2 LYS 44 lone 1 43 - 2 - HG LEU 45 - HD2 LYS 40 lone 1 95 - 1 - HB ILE 71 - HD2 LYS 16 lone 1 73 - 1 - HG LEU 45 - HD3 LYS 40 lone 1 93 - 1 - HB ILE 71 - HD3 LYS 16 lone 1 71 - 1 - HG LEU 45 - HD2 LYS 16 lone 1 100 - 1 - HG LEU 45 - HD3 LYS 16 lone 1 99 - 1 - HB2 LEU 63 - HD2 LYS 16 lone 0 94 - 0 - QE MET 67 - HD2 LYS 16 lone 0 100 - 0 - QE MET 67 - HD3 LYS 16 lone 0 99 - 0 - QE MET 42 - HD2 LYS 16 lone 0 81 - 1 - HB2 LEU 63 - HD3 LYS 16 lone 0 92 - 0 - QE MET 42 - HD3 LYS 16 lone 0 79 - 1 - HB ILE 71 - HD2 LYS 44 lone 0 32 - 1 - HB ILE 7 - HD2 LYS 16 lone 0 87 - 0 - HB2 ARG 95 - HD2 LYS 44 lone 0 30 - 1 - HB2 LEU 63 - HD2 LYS 40 lone 0 86 - 0 - HB ILE 7 - HD3 LYS 16 lone 0 85 - 0 - HB2 LEU 63 - HD3 LYS 40 lone 0 84 - 0 - HB ILE 71 - HD2 LYS 40 lone 0 65 - 0 - QE MET 67 - HD2 LYS 40 lone 0 95 - 0 - HB ILE 71 - HD3 LYS 40 lone 0 63 - 0 - QE MET 67 - HD3 LYS 40 lone 0 93 - 0 - HB3 ARG 118 - HD2 LYS 16 lone 0 94 - 0 - HB ILE 7 - HD2 LYS 40 lone 0 78 - 0 - HB3 ARG 118 - HD3 LYS 16 lone 0 92 - 0 - HB ILE 7 - HD3 LYS 40 lone 0 76 - 0 - QE MET 42 - HD2 LYS 40 lone 0 72 - 0 - QE MET 42 - HD3 LYS 40 lone 0 70 - 0 - QE MET 67 - HD2 LYS 44 lone 0 52 - 0 - HB3 ARG 118 - HD2 LYS 40 lone 0 86 - 0 - HB3 ARG 118 - HD3 LYS 40 lone 0 84 - 0 - HB2 LYS 49 - HD2 LYS 16 lone 0 61 - 0 - HB2 LYS 49 - HD3 LYS 16 lone 0 60 - 0 - HB2 LYS 49 - HD2 LYS 40 lone 0 54 - 0 - HB2 LYS 49 - HD3 LYS 40 lone 0 52 - 0 - HB2 LEU 63 - HD2 LYS 44 lone 0 45 - 0 - HB ILE 7 - HD2 LYS 44 lone 0 40 - 0 - HB3 ARG 118 - HD2 LYS 44 lone 0 45 - 0 - QE MET 42 - HD2 LYS 44 lone 0 36 - 0 - HB2 LYS 49 - HD2 LYS 44 lone 0 26 - 0 - Peak 2773 from cnoeabs.peaks (1.88, 1.69, 29.24 ppm; 2.80 A): 4 out of 80 assignments used, quality = 1.00: HB2 LYS 16 + HD2 LYS 16 OK 83 100 - 83 - 3.6=46, 3.0/2756=8...(49) * HB3 LYS 16 + HD2 LYS 16 OK 83 100 - 83 - 3.6=46, 3.0/2756=8...(49) HB2 LYS 16 + HD3 LYS 16 OK 83 99 - 84 - 3.6=46, 3.0/2757=8...(49) HB3 LYS 16 + HD3 LYS 16 OK 83 99 - 83 - 3.6=46, 3.0/2757=8...(49) HB2 LYS 16 - HD2 LYS 40 OK 28 95 - 30 - 3.0/2756=2, 3.0/2766=2...(9) HB3 LYS 16 - HD2 LYS 40 OK 28 95 - 30 - 3.0/2756=2, 3.0/2766=2...(9) HB2 LYS 16 - HD3 LYS 40 OK 28 93 - 30 - 3.0/2756=2, 3.0/2766=2...(9) HB3 LYS 16 - HD3 LYS 40 OK 28 93 - 30 - 3.0/2756=2, 3.0/2766=2...(9) HB3 LYS 20 - HD2 LYS 40 OK 12 86 - 14 - HB2 LYS 20 - HD2 LYS 40 OK 12 86 - 14 - HB2 LYS 20 - HD3 LYS 40 OK 12 84 - 14 - HB3 LYS 20 - HD3 LYS 40 OK 12 84 - 14 - HB2 LYS 20 - HD2 LYS 16 lone 6 94 - 6 - HB3 LYS 20 - HD2 LYS 16 lone 6 94 - 6 - HB3 LYS 20 - HD3 LYS 16 lone 5 92 - 6 - HB2 LYS 20 - HD3 LYS 16 lone 5 92 - 6 - HB3 LYS 73 - HD2 LYS 40 lone 5 75 - 6 - HB3 LYS 73 - HD3 LYS 40 lone 5 73 - 6 - HB2 LYS 73 - HD2 LYS 40 lone 5 72 - 6 - HB2 LYS 73 - HD3 LYS 40 lone 5 70 - 7 - HB2 LYS 73 - HD2 LYS 16 lone 4 81 - 5 - HB3 LYS 73 - HD2 LYS 16 lone 4 84 - 5 - HB2 LYS 73 - HD3 LYS 16 lone 4 79 - 5 - HB3 LYS 73 - HD3 LYS 16 lone 4 82 - 5 - HG2 ARG 95 - HD2 LYS 40 lone 3 92 - 3 - 7791/6.2=1 HG2 ARG 95 - HD3 LYS 40 lone 3 91 - 3 - 7791/6.2=1 HG LEU 45 - HD2 LYS 44 lone 3 52 - 5 - 4013/3.7=1, 2.1/11533=1 HB2 ARG 95 - HD2 LYS 40 lone 2 65 - 4 - HB2 ARG 95 - HD3 LYS 40 lone 2 63 - 4 - HG2 ARG 95 - HD2 LYS 44 lone 2 50 - 3 - HB3 LYS 73 - HD2 LYS 44 lone 1 38 - 4 - HG2 ARG 95 - HD2 LYS 16 lone 1 99 - 1 - HB2 LYS 73 - HD2 LYS 44 lone 1 36 - 4 - HG2 ARG 95 - HD3 LYS 16 lone 1 98 - 1 - HB2 ARG 95 - HD2 LYS 16 lone 1 73 - 2 - HB2 LYS 16 - HD2 LYS 44 lone 1 52 - 2 - HB3 LYS 16 - HD2 LYS 44 lone 1 52 - 2 - HB2 ARG 95 - HD3 LYS 16 lone 1 71 - 2 - HB3 LYS 20 - HD2 LYS 44 lone 1 45 - 2 - HB2 LYS 20 - HD2 LYS 44 lone 1 45 - 2 - HB ILE 71 - HD2 LYS 16 lone 1 77 - 1 - HB ILE 71 - HD3 LYS 16 lone 1 75 - 1 - HG LEU 45 - HD2 LYS 40 lone 1 95 - 1 - HG LEU 45 - HD3 LYS 40 lone 1 93 - 1 - HG LEU 45 - HD2 LYS 16 lone 1 100 - 1 - HG LEU 45 - HD3 LYS 16 lone 1 99 - 1 - QE MET 67 - HD2 LYS 16 lone 0 100 - 0 - HB2 LEU 63 - HD2 LYS 16 lone 0 92 - 0 - QE MET 67 - HD3 LYS 16 lone 0 99 - 0 - HB2 ARG 95 - HD2 LYS 44 lone 0 32 - 1 - HB2 LEU 63 - HD3 LYS 16 lone 0 90 - 0 - QE MET 42 - HD2 LYS 16 lone 0 77 - 1 - QE MET 42 - HD3 LYS 16 lone 0 75 - 0 - HB ILE 71 - HD2 LYS 44 lone 0 34 - 1 - HB ILE 7 - HD2 LYS 16 lone 0 90 - 0 - HB ILE 7 - HD3 LYS 16 lone 0 88 - 0 - HB2 LEU 63 - HD2 LYS 40 lone 0 84 - 0 - HB2 LEU 63 - HD3 LYS 40 lone 0 82 - 0 - HB ILE 71 - HD2 LYS 40 lone 0 69 - 0 - HB ILE 71 - HD3 LYS 40 lone 0 67 - 0 - HB ILE 7 - HD2 LYS 40 lone 0 81 - 0 - QE MET 67 - HD2 LYS 40 lone 0 95 - 0 - HB ILE 7 - HD3 LYS 40 lone 0 79 - 0 - QE MET 67 - HD3 LYS 40 lone 0 93 - 0 - HB3 ARG 118 - HD2 LYS 16 lone 0 92 - 0 - HB3 ARG 118 - HD3 LYS 16 lone 0 90 - 0 - QE MET 67 - HD2 LYS 44 lone 0 52 - 0 - QE MET 42 - HD2 LYS 40 lone 0 69 - 0 - HB2 LYS 49 - HD2 LYS 16 lone 0 65 - 0 - QE MET 42 - HD3 LYS 40 lone 0 67 - 0 - HB3 ARG 118 - HD2 LYS 40 lone 0 84 - 0 - HB2 LYS 49 - HD3 LYS 16 lone 0 64 - 0 - HB3 ARG 118 - HD3 LYS 40 lone 0 82 - 0 - HB2 LYS 49 - HD2 LYS 40 lone 0 58 - 0 - HB2 LYS 49 - HD3 LYS 40 lone 0 56 - 0 - HB2 LEU 63 - HD2 LYS 44 lone 0 43 - 0 - HB ILE 7 - HD2 LYS 44 lone 0 42 - 0 - HB3 ARG 118 - HD2 LYS 44 lone 0 43 - 0 - QE MET 42 - HD2 LYS 44 lone 0 34 - 0 - HB2 LYS 49 - HD2 LYS 44 lone 0 28 - 0 - Peak 2774 from cnoeabs.peaks (1.63, 1.69, 29.24 ppm; 2.40 A): 4 out of 60 assignments used, quality = 1.00: * HG2 LYS 16 + HD2 LYS 16 OK 80 100 - 80 - 2.9=55, 2757/1.8=9...(21) HG2 LYS 16 + HD3 LYS 16 OK 80 99 - 80 - 2.9=55, 2756/1.8=9...(21) HG3 LYS 40 + HD2 LYS 40 OK 72 90 - 81 - 2.9=55, 3695/1.8=7...(29) HG3 LYS 40 + HD3 LYS 40 OK 71 88 - 81 - 2.9=55, 3695/1.8=7...(29) HG3 LYS 40 - HD2 LYS 16 OK 32 97 - 34 - 3694=5, 3694/1.8=3...(7) HG3 LYS 40 - HD3 LYS 16 OK 32 96 - 34 - 3694=5, 3695/1.8=3...(11) HG2 LYS 16 - HD2 LYS 40 OK 23 95 - 25 - 2756=4, 2756/1.8=3...(6) HG2 LYS 16 - HD3 LYS 40 OK 23 93 - 25 - 2756=4, 2756/1.8=3...(6) HB2 LEU 82 - HD2 LYS 16 lone 1 98 - 1 - HB2 LEU 82 - HD3 LYS 16 lone 1 97 - 1 - HG2 LYS 16 - HD2 LYS 44 lone 1 52 - 1 - HB3 LEU 64 - HD2 LYS 16 lone 1 100 - 1 - HB3 LEU 64 - HD3 LYS 16 lone 1 99 - 1 - HB ILE 116 - HD2 LYS 16 lone 1 100 - 1 - HB ILE 116 - HD3 LYS 16 lone 1 99 - 1 - HD2 LYS 77 - HD2 LYS 16 lone 1 100 - 0 - HD3 LYS 77 - HD2 LYS 16 lone 1 99 - 0 - HD2 LYS 77 - HD3 LYS 16 lone 1 99 - 0 - HD3 LYS 77 - HD3 LYS 16 lone 0 98 - 0 - HG3 LYS 40 - HD2 LYS 44 lone 1 48 - 1 - HG LEU 63 - HD2 LYS 16 lone 0 97 - 0 - HG LEU 63 - HD3 LYS 16 lone 0 96 - 0 - HG LEU 63 - HD2 LYS 40 lone 0 90 - 0 - HG LEU 63 - HD3 LYS 40 lone 0 88 - 0 - HG LEU 64 - HD2 LYS 16 lone 0 77 - 0 - HG LEU 64 - HD3 LYS 16 lone 0 75 - 0 - HB2 LEU 82 - HD2 LYS 40 lone 0 91 - 0 - HG LEU 90 - HD2 LYS 16 lone 0 87 - 0 - HD2 LYS 77 - HD2 LYS 40 lone 0 94 - 0 - HD3 LYS 77 - HD2 LYS 40 lone 0 93 - 0 - HB2 LEU 82 - HD3 LYS 40 lone 0 89 - 0 - HG LEU 90 - HD3 LYS 16 lone 0 85 - 0 - HD2 LYS 77 - HD3 LYS 40 lone 0 92 - 0 - HD3 LYS 77 - HD3 LYS 40 lone 0 92 - 0 - HB3 LEU 64 - HD2 LYS 40 lone 0 95 - 0 - HB3 LEU 64 - HD3 LYS 40 lone 0 93 - 0 - HB ILE 116 - HD2 LYS 40 lone 0 94 - 0 - HB ILE 116 - HD3 LYS 40 lone 0 92 - 0 - HG LEU 90 - HD2 LYS 40 lone 0 78 - 0 - HB3 LEU 127 - HD2 LYS 16 lone 0 81 - 0 - HG LEU 90 - HD3 LYS 40 lone 0 76 - 0 - HB ILE 5 - HD2 LYS 16 lone 0 61 - 0 - HB3 LEU 127 - HD2 LYS 40 lone 0 72 - 0 - HB3 LEU 127 - HD3 LYS 16 lone 0 79 - 0 - HB3 LEU 127 - HD3 LYS 40 lone 0 70 - 0 - HB ILE 5 - HD3 LYS 16 lone 0 60 - 0 - HB ILE 5 - HD2 LYS 40 lone 0 54 - 0 - HB2 LEU 82 - HD2 LYS 44 lone 0 49 - 0 - HB ILE 5 - HD3 LYS 40 lone 0 52 - 0 - HB ILE 116 - HD2 LYS 44 lone 0 52 - 0 - HG LEU 64 - HD2 LYS 40 lone 0 69 - 0 - HG LEU 64 - HD3 LYS 40 lone 0 67 - 0 - HB3 LEU 64 - HD2 LYS 44 lone 0 52 - 0 - HG LEU 63 - HD2 LYS 44 lone 0 48 - 0 - HD2 LYS 77 - HD2 LYS 44 lone 0 52 - 0 - HD3 LYS 77 - HD2 LYS 44 lone 0 51 - 0 - HG LEU 90 - HD2 LYS 44 lone 0 40 - 0 - HB3 LEU 127 - HD2 LYS 44 lone 0 36 - 0 - HG LEU 64 - HD2 LYS 44 lone 0 34 - 0 - HB ILE 5 - HD2 LYS 44 lone 0 26 - 0 - Peak 2775 from cnoeabs.peaks (1.40, 1.69, 29.24 ppm; 2.61 A): 4 out of 35 assignments used, quality = 1.00: * HG3 LYS 16 + HD2 LYS 16 OK 89 100 - 89 - 2.9=70, 1.8/2756=10...(25) HG3 LYS 16 + HD3 LYS 16 OK 88 99 - 89 - 2.9=70, 1.8/2757=10...(25) HG2 LYS 40 + HD2 LYS 40 OK 54 62 - 88 - 2.9=70, 1.8/3694=9...(28) HG2 LYS 40 + HD3 LYS 40 OK 53 60 - 88 - 2.9=70, 1.8/3694=9...(28) HG3 LYS 16 - HD2 LYS 40 OK 26 95 - 28 - 2766=4, 1.8/2756=3...(8) HG3 LYS 16 - HD3 LYS 40 OK 26 93 - 28 - 2766=4, 1.8/2756=3...(8) HG2 LYS 40 - HD2 LYS 16 OK 23 70 - 34 - 1.8/3694=3, 2.7/3700=3...(16) HG2 LYS 40 - HD3 LYS 16 OK 23 68 - 34 - 1.8/3694=3, 2.7/3700=2...(15) HB3 LEU 114 - HD2 LYS 16 lone 2 100 - 2 - HB3 LEU 114 - HD3 LYS 16 lone 2 99 - 2 - QB ALA 113 - HD2 LYS 16 lone 1 81 - 1 - HG LEU 14 - HD2 LYS 16 lone 1 65 - 2 - HG LEU 14 - HD3 LYS 16 lone 1 64 - 2 - QB ALA 113 - HD3 LYS 16 lone 1 79 - 1 - HG3 LYS 16 - HD2 LYS 44 lone 1 52 - 2 - HB3 LEU 68 - HD2 LYS 16 lone 1 77 - 1 - HB3 LEU 68 - HD3 LYS 16 lone 1 75 - 1 - HB3 LEU 114 - HD2 LYS 40 lone 0 95 - 0 - HB3 LEU 114 - HD3 LYS 40 lone 0 93 - 0 - HG3 LYS 106 - HD2 LYS 16 lone 0 98 - 0 - HG3 LYS 106 - HD3 LYS 16 lone 0 97 - 0 - HG2 LYS 40 - HD2 LYS 44 lone 0 30 - 1 - HG3 LYS 106 - HD2 LYS 40 lone 0 91 - 0 - HG3 LYS 106 - HD3 LYS 40 lone 0 89 - 0 - HB3 LEU 68 - HD2 LYS 40 lone 0 69 - 0 - HB3 LEU 68 - HD3 LYS 40 lone 0 67 - 0 - QB ALA 113 - HD2 LYS 40 lone 0 72 - 0 - QB ALA 113 - HD3 LYS 40 lone 0 70 - 0 - HG LEU 14 - HD2 LYS 40 lone 0 58 - 0 - HG LEU 14 - HD3 LYS 40 lone 0 56 - 0 - HB3 LEU 68 - HD2 LYS 44 lone 0 34 - 0 - HG3 LYS 106 - HD2 LYS 44 lone 0 49 - 0 - HB3 LEU 114 - HD2 LYS 44 lone 0 52 - 0 - QB ALA 113 - HD2 LYS 44 lone 0 36 - 0 - HG LEU 14 - HD2 LYS 44 lone 0 28 - 0 - Peak 2776 from cnoeabs.peaks (1.69, 1.69, 29.24 ppm; diagonal): 4 out of 5 assignments used, quality = 1.00: * HD2 LYS 16 + HD2 LYS 16 OK 100 100 - 100 HD3 LYS 16 + HD3 LYS 16 OK 99 99 - 100 HD2 LYS 40 + HD2 LYS 40 OK 93 93 - 100 HD3 LYS 40 + HD3 LYS 40 OK 91 91 - 100 HD2 LYS 44 - HD2 LYS 44 OK 34 34 - 100 Peak 2777 from cnoeabs.peaks (1.69, 1.69, 29.24 ppm; diagonal): 4 out of 5 assignments used, quality = 1.00: HD2 LYS 16 + HD2 LYS 16 OK 100 100 - 100 HD3 LYS 16 + HD3 LYS 16 OK 99 99 - 100 HD2 LYS 40 + HD2 LYS 40 OK 90 90 - 100 HD3 LYS 40 + HD3 LYS 40 OK 86 86 - 100 HD2 LYS 44 - HD2 LYS 44 OK 40 40 - 100 Reference assignment not found: HD3 LYS 16 - HD2 LYS 16 Peak 2778 from cnoeabs.peaks (2.91, 1.69, 29.24 ppm; 2.74 A): 4 out of 70 assignments used, quality = 1.00: HE3 LYS 16 + HD2 LYS 16 OK 88 100 - 88 - 3.0=77, 2794/2.9=6...(24) * HE2 LYS 16 + HD2 LYS 16 OK 88 100 - 88 - 3.0=77, 2794/2.9=6...(24) HE2 LYS 16 + HD3 LYS 16 OK 87 99 - 88 - 3.0=77, 2794/2.9=6...(24) HE3 LYS 16 + HD3 LYS 16 OK 87 99 - 88 - 3.0=77, 2794/2.9=6...(24) HE2 LYS 16 - HD2 LYS 40 OK 24 95 - 26 - 2804/2.9=2, 6009/2.9=2...(11) HE3 LYS 16 - HD2 LYS 40 OK 24 95 - 26 - 2804/2.9=2, 6009/2.9=2...(11) HE3 LYS 16 - HD3 LYS 40 OK 24 93 - 26 - 2804/2.9=2, 6009/2.9=2...(11) HE2 LYS 16 - HD3 LYS 40 OK 24 93 - 26 - 2804/2.9=2, 6009/2.9=2...(11) HE3 LYS 17 - HD2 LYS 16 lone 3 92 - 4 - HE3 LYS 17 - HD3 LYS 16 lone 3 90 - 4 - HE2 LYS 115 - HD2 LYS 16 lone 3 100 - 3 - HE3 LYS 115 - HD2 LYS 16 lone 3 100 - 3 - HE2 LYS 115 - HD3 LYS 16 lone 3 99 - 3 - HE3 LYS 115 - HD3 LYS 16 lone 3 99 - 3 - HE2 LYS 65 - HD2 LYS 16 lone 2 98 - 2 - HE3 LYS 65 - HD2 LYS 16 lone 2 98 - 2 - HE2 LYS 65 - HD3 LYS 16 lone 2 97 - 2 - HE3 LYS 65 - HD3 LYS 16 lone 2 97 - 2 - HE3 LYS 17 - HD2 LYS 40 lone 2 84 - 2 - HE3 LYS 17 - HD3 LYS 40 lone 2 82 - 2 - HE3 LYS 115 - HD2 LYS 40 lone 1 95 - 1 - HE2 LYS 115 - HD2 LYS 40 lone 1 95 - 1 - HE3 LYS 115 - HD3 LYS 40 lone 1 93 - 1 - HE2 LYS 115 - HD3 LYS 40 lone 1 93 - 1 - HE3 LYS 65 - HD2 LYS 40 lone 1 91 - 1 - HE2 LYS 65 - HD2 LYS 40 lone 1 91 - 1 - HE2 LYS 65 - HD3 LYS 40 lone 1 89 - 1 - HE3 LYS 65 - HD3 LYS 40 lone 1 89 - 1 - HE2 LYS 16 - HD2 LYS 44 lone 1 52 - 1 - HE3 LYS 16 - HD2 LYS 44 lone 1 52 - 1 - HE2 LYS 65 - HD2 LYS 44 lone 1 49 - 1 - HE3 LYS 65 - HD2 LYS 44 lone 1 49 - 1 - HE3 LYS 94 - HD2 LYS 16 lone 0 97 - 0 - HE3 LYS 94 - HD3 LYS 16 lone 0 96 - 0 - HE3 LYS 94 - HD2 LYS 40 lone 0 90 - 0 - HE3 LYS 94 - HD3 LYS 40 lone 0 88 - 0 - HB2 ASP 34 - HD2 LYS 16 lone 0 100 - 0 - HB2 ASP 34 - HD3 LYS 16 lone 0 99 - 0 - HB2 ASN 33 - HD2 LYS 16 lone 0 100 - 0 - HB2 ASN 33 - HD3 LYS 16 lone 0 99 - 0 - HE3 LYS 94 - HD2 LYS 44 lone 0 48 - 1 - HB2 ASN 10 - HD2 LYS 16 lone 0 99 - 0 - HB3 ASN 88 - HD2 LYS 16 lone 0 99 - 0 - HB2 ASN 10 - HD3 LYS 16 lone 0 98 - 0 - HB3 ASN 88 - HD3 LYS 16 lone 0 98 - 0 - HB2 ASP 34 - HD2 LYS 40 lone 0 95 - 0 - HB2 ASN 33 - HD2 LYS 40 lone 0 95 - 0 - HB2 ASP 34 - HD3 LYS 40 lone 0 93 - 0 - HB2 ASN 33 - HD3 LYS 40 lone 0 93 - 0 - HE3 LYS 17 - HD2 LYS 44 lone 0 43 - 0 - HB2 ASN 10 - HD2 LYS 40 lone 0 93 - 0 - HB3 ASN 88 - HD2 LYS 40 lone 0 92 - 0 - HB2 ASN 10 - HD3 LYS 40 lone 0 92 - 0 - HB3 ASN 88 - HD3 LYS 40 lone 0 91 - 0 - HE3 LYS 115 - HD2 LYS 44 lone 0 52 - 0 - HE2 LYS 115 - HD2 LYS 44 lone 0 52 - 0 - HB2 ASP 86 - HD2 LYS 16 lone 0 70 - 0 - HB2 ASN 8 - HD2 LYS 16 lone 0 61 - 0 - HB2 ASP 86 - HD3 LYS 16 lone 0 68 - 0 - HB2 ASN 8 - HD3 LYS 16 lone 0 60 - 0 - HB2 ASP 86 - HD2 LYS 40 lone 0 62 - 0 - HB2 ASN 8 - HD2 LYS 40 lone 0 54 - 0 - HB2 ASP 86 - HD3 LYS 40 lone 0 60 - 0 - HB2 ASN 8 - HD3 LYS 40 lone 0 52 - 0 - HB2 ASP 34 - HD2 LYS 44 lone 0 52 - 0 - HB2 ASN 33 - HD2 LYS 44 lone 0 52 - 0 - HB3 ASN 88 - HD2 LYS 44 lone 0 50 - 0 - HB2 ASN 10 - HD2 LYS 44 lone 0 51 - 0 - HB2 ASP 86 - HD2 LYS 44 lone 0 30 - 0 - HB2 ASN 8 - HD2 LYS 44 lone 0 26 - 0 - Peak 2779 from cnoeabs.peaks (2.91, 1.69, 29.24 ppm; 2.74 A): 4 out of 70 assignments used, quality = 1.00: * HE3 LYS 16 + HD2 LYS 16 OK 88 100 - 88 - 3.0=77, 2794/2.9=6...(24) HE2 LYS 16 + HD2 LYS 16 OK 88 100 - 88 - 3.0=77, 2794/2.9=6...(24) HE2 LYS 16 + HD3 LYS 16 OK 87 99 - 88 - 3.0=77, 2794/2.9=6...(24) HE3 LYS 16 + HD3 LYS 16 OK 87 99 - 88 - 3.0=77, 2794/2.9=6...(24) HE2 LYS 16 - HD2 LYS 40 OK 24 95 - 26 - 2804/2.9=2, 6009/2.9=2...(11) HE3 LYS 16 - HD2 LYS 40 OK 24 95 - 26 - 2804/2.9=2, 6009/2.9=2...(11) HE3 LYS 16 - HD3 LYS 40 OK 24 93 - 26 - 2804/2.9=2, 6009/2.9=2...(11) HE2 LYS 16 - HD3 LYS 40 OK 24 93 - 26 - 2804/2.9=2, 6009/2.9=2...(11) HE3 LYS 17 - HD2 LYS 16 lone 3 92 - 4 - HE3 LYS 17 - HD3 LYS 16 lone 3 90 - 4 - HE2 LYS 115 - HD2 LYS 16 lone 3 100 - 3 - HE3 LYS 115 - HD2 LYS 16 lone 3 100 - 3 - HE2 LYS 115 - HD3 LYS 16 lone 3 99 - 3 - HE3 LYS 115 - HD3 LYS 16 lone 3 99 - 3 - HE2 LYS 65 - HD2 LYS 16 lone 2 98 - 2 - HE3 LYS 65 - HD2 LYS 16 lone 2 98 - 2 - HE2 LYS 65 - HD3 LYS 16 lone 2 97 - 2 - HE3 LYS 65 - HD3 LYS 16 lone 2 97 - 2 - HE3 LYS 17 - HD2 LYS 40 lone 2 84 - 2 - HE3 LYS 17 - HD3 LYS 40 lone 2 82 - 2 - HE3 LYS 115 - HD2 LYS 40 lone 1 95 - 1 - HE2 LYS 115 - HD2 LYS 40 lone 1 95 - 1 - HE3 LYS 115 - HD3 LYS 40 lone 1 93 - 1 - HE2 LYS 115 - HD3 LYS 40 lone 1 93 - 1 - HE3 LYS 65 - HD2 LYS 40 lone 1 91 - 1 - HE2 LYS 65 - HD2 LYS 40 lone 1 91 - 1 - HE2 LYS 65 - HD3 LYS 40 lone 1 89 - 1 - HE3 LYS 65 - HD3 LYS 40 lone 1 89 - 1 - HE2 LYS 16 - HD2 LYS 44 lone 1 52 - 1 - HE3 LYS 16 - HD2 LYS 44 lone 1 52 - 1 - HE2 LYS 65 - HD2 LYS 44 lone 1 49 - 1 - HE3 LYS 65 - HD2 LYS 44 lone 1 49 - 1 - HE3 LYS 94 - HD2 LYS 16 lone 0 97 - 0 - HE3 LYS 94 - HD3 LYS 16 lone 0 96 - 0 - HE3 LYS 94 - HD2 LYS 40 lone 0 90 - 0 - HE3 LYS 94 - HD3 LYS 40 lone 0 88 - 0 - HB2 ASP 34 - HD2 LYS 16 lone 0 100 - 0 - HB2 ASP 34 - HD3 LYS 16 lone 0 99 - 0 - HB2 ASN 33 - HD2 LYS 16 lone 0 100 - 0 - HB2 ASN 33 - HD3 LYS 16 lone 0 99 - 0 - HE3 LYS 94 - HD2 LYS 44 lone 0 48 - 1 - HB2 ASN 10 - HD2 LYS 16 lone 0 99 - 0 - HB3 ASN 88 - HD2 LYS 16 lone 0 99 - 0 - HB2 ASN 10 - HD3 LYS 16 lone 0 98 - 0 - HB3 ASN 88 - HD3 LYS 16 lone 0 98 - 0 - HB2 ASP 34 - HD2 LYS 40 lone 0 95 - 0 - HB2 ASN 33 - HD2 LYS 40 lone 0 95 - 0 - HB2 ASP 34 - HD3 LYS 40 lone 0 93 - 0 - HB2 ASN 33 - HD3 LYS 40 lone 0 93 - 0 - HE3 LYS 17 - HD2 LYS 44 lone 0 43 - 0 - HB2 ASN 10 - HD2 LYS 40 lone 0 93 - 0 - HB3 ASN 88 - HD2 LYS 40 lone 0 92 - 0 - HB2 ASN 10 - HD3 LYS 40 lone 0 92 - 0 - HB3 ASN 88 - HD3 LYS 40 lone 0 91 - 0 - HE3 LYS 115 - HD2 LYS 44 lone 0 52 - 0 - HE2 LYS 115 - HD2 LYS 44 lone 0 52 - 0 - HB2 ASP 86 - HD2 LYS 16 lone 0 70 - 0 - HB2 ASN 8 - HD2 LYS 16 lone 0 61 - 0 - HB2 ASP 86 - HD3 LYS 16 lone 0 68 - 0 - HB2 ASN 8 - HD3 LYS 16 lone 0 60 - 0 - HB2 ASP 86 - HD2 LYS 40 lone 0 62 - 0 - HB2 ASN 8 - HD2 LYS 40 lone 0 54 - 0 - HB2 ASP 86 - HD3 LYS 40 lone 0 60 - 0 - HB2 ASN 8 - HD3 LYS 40 lone 0 52 - 0 - HB2 ASP 34 - HD2 LYS 44 lone 0 52 - 0 - HB2 ASN 33 - HD2 LYS 44 lone 0 52 - 0 - HB3 ASN 88 - HD2 LYS 44 lone 0 50 - 0 - HB2 ASN 10 - HD2 LYS 44 lone 0 51 - 0 - HB2 ASP 86 - HD2 LYS 44 lone 0 30 - 0 - HB2 ASN 8 - HD2 LYS 44 lone 0 26 - 0 - Peak 2780 from cnoeabs.peaks (7.60, 1.69, 29.24 ppm; 4.10 A): 2 out of 42 assignments used, quality = 0.98: * H LYS 16 + HD3 LYS 16 OK 86 100 - 86 - 6.1=31, 2750/2.9=24...(19) H LYS 16 + HD2 LYS 16 OK 85 99 - 86 - 6.1=31, 2750/2.9=24...(19) H LYS 16 - HD2 LYS 40 OK 34 89 - 39 - 1106/2.9=7, 3.0/2726=4...(17) H LYS 16 - HD3 LYS 40 OK 33 85 - 39 - 1106/2.9=7, 1107/2.9=4...(17) H LEU 74 - HD3 LYS 16 OK 18 99 - 18 - 2750/2.9=5, 2760/2.9=5...(7) H LEU 74 - HD2 LYS 16 OK 18 98 - 18 - 2750/2.9=5, 2760/2.9=5...(6) H LYS 115 - HD3 LYS 16 lone 7 84 - 8 - 2760/2.9=2, 2750/2.9=2 H LYS 115 - HD2 LYS 16 lone 7 82 - 8 - 2760/2.9=2, 2750/2.9=2 H LEU 74 - HD2 LYS 40 lone 4 86 - 5 - H LYS 16 - HD2 LYS 44 lone 4 68 - 6 - H LEU 74 - HD3 LYS 40 lone 4 82 - 5 - H LYS 16 - HD3 LYS 44 lone 4 58 - 6 - H LEU 74 - HD2 LYS 44 lone 3 65 - 5 - H ASP 34 - HD3 LYS 16 lone 3 87 - 4 - H ASP 34 - HD2 LYS 16 lone 3 85 - 4 - H LEU 74 - HD3 LYS 44 lone 3 55 - 5 - HE ARG 105 - HD3 LYS 16 lone 2 99 - 2 - HE ARG 105 - HD2 LYS 16 lone 2 98 - 2 - H LYS 115 - HD2 LYS 40 lone 1 68 - 2 - H LYS 115 - HD3 LYS 40 lone 1 65 - 2 - H GLN 100 - HD3 LYS 16 lone 1 61 - 1 - H GLN 100 - HD2 LYS 16 lone 1 60 - 1 - HE ARG 105 - HD2 LYS 40 lone 1 86 - 1 - HE ARG 105 - HD3 LYS 40 lone 1 82 - 1 - H ASP 34 - HD2 LYS 40 lone 1 71 - 1 - H ASP 34 - HD3 LYS 40 lone 1 68 - 1 - H LYS 115 - HD2 LYS 44 lone 1 50 - 1 - H ASP 34 - HD2 LYS 44 lone 1 52 - 1 - HE21 GLN 85 - HD3 LYS 16 lone 1 57 - 1 - HE21 GLN 85 - HD2 LYS 16 lone 0 56 - 1 - H GLN 100 - HD2 LYS 40 lone 0 48 - 1 - H ASP 34 - HD3 LYS 44 lone 0 44 - 1 - H LYS 115 - HD3 LYS 44 lone 0 42 - 1 - H GLN 100 - HD3 LYS 40 lone 0 46 - 1 - HE ARG 105 - HD2 LYS 44 lone 0 65 - 1 - HE ARG 105 - HD3 LYS 44 lone 0 55 - 1 - H GLN 100 - HD2 LYS 44 lone 0 34 - 1 - H GLN 100 - HD3 LYS 44 lone 0 29 - 1 - HE21 GLN 85 - HD2 LYS 40 lone 0 45 - 1 - HE21 GLN 85 - HD3 LYS 40 lone 0 43 - 1 - HE21 GLN 85 - HD2 LYS 44 lone 0 32 - 1 - HE21 GLN 85 - HD3 LYS 44 lone 0 26 - 1 - Peak 2781 from cnoeabs.peaks (3.84, 1.69, 29.24 ppm; 4.15 A): 2 out of 18 assignments used, quality = 1.00: * HA LYS 16 + HD3 LYS 16 OK 95 100 - 95 - 5.2=50, 2761/2.9=30...(39) HA LYS 16 + HD2 LYS 16 OK 95 99 - 95 - 5.2=50, 2761/2.9=30...(39) HA LYS 16 - HD2 LYS 40 OK 45 89 - 51 - 2724/2.9=8, 2725/2.9=6...(24) HA LYS 16 - HD3 LYS 40 OK 43 85 - 51 - 2724/2.9=8, 2725/2.9=6...(24) HA LYS 39 - HD2 LYS 40 OK 20 88 - 23 - 3.6/1256=5, 3560/3.6=2...(8) HA LYS 39 - HD3 LYS 40 OK 19 85 - 23 - 3.6/1256=5, 3560/3.6=2...(8) HA LYS 39 - HD2 LYS 44 OK 17 67 - 25 - 3564/1.8=3, 3563=2...(10) HA LYS 39 - HD3 LYS 44 OK 14 57 - 25 - 3564/1.8=3, 3563=2...(10) HA LYS 39 - HD2 LYS 16 OK 12 99 - 12 - 3.6/1255=2, 2761/2.9=2 HA LYS 39 - HD3 LYS 16 OK 12 100 - 12 - 2761/2.9=2, 3.6/1255=2 HA2 GLY 75 - HD3 LYS 16 OK 10 97 - 11 - 2761/2.9=2, 3.0/466=1...(5) HA2 GLY 75 - HD2 LYS 16 OK 10 96 - 11 - 2761/2.9=2, ~466=2...(5) HA LYS 16 - HD2 LYS 44 lone 4 68 - 6 - HA LYS 16 - HD3 LYS 44 lone 4 58 - 6 - HA2 GLY 75 - HD2 LYS 40 lone 1 83 - 2 - HA2 GLY 75 - HD3 LYS 40 lone 1 80 - 2 - HA2 GLY 75 - HD2 LYS 44 lone 1 62 - 1 - HA2 GLY 75 - HD3 LYS 44 lone 1 53 - 1 - Peak 2782 from cnoeabs.peaks (1.88, 1.69, 29.24 ppm; 2.77 A): 4 out of 96 assignments used, quality = 1.00: * HB2 LYS 16 + HD3 LYS 16 OK 82 100 - 82 - 3.6=44, 3.0/2757=8...(49) HB3 LYS 16 + HD3 LYS 16 OK 82 100 - 82 - 3.6=44, 3.0/2757=8...(49) HB2 LYS 16 + HD2 LYS 16 OK 82 99 - 82 - 3.6=44, 3.0/2757=8...(49) HB3 LYS 16 + HD2 LYS 16 OK 81 99 - 82 - 3.6=44, 3.0/2757=8...(49) HB2 LYS 16 - HD2 LYS 40 OK 26 89 - 29 - 3.0/2756=2, 3.0/2766=2...(7) HB3 LYS 16 - HD2 LYS 40 OK 25 88 - 29 - 3.0/2756=2, 3.0/2766=2...(7) HB2 LYS 16 - HD3 LYS 40 OK 25 85 - 29 - 3.0/2756=2, 3.0/2766=2...(7) HB3 LYS 16 - HD3 LYS 40 OK 24 85 - 29 - 3.0/2756=2, 3.0/2766=2...(7) HB2 LYS 20 - HD2 LYS 40 OK 10 77 - 14 - HB3 LYS 20 - HD2 LYS 40 OK 10 77 - 14 - HB3 LYS 20 - HD3 LYS 40 OK 10 73 - 14 - HB2 LYS 20 - HD3 LYS 40 OK 10 73 - 14 - HB3 LYS 20 - HD3 LYS 16 lone 5 92 - 6 - HB2 LYS 20 - HD3 LYS 16 lone 5 92 - 6 - HB3 LYS 20 - HD2 LYS 16 lone 5 90 - 6 - HB2 LYS 20 - HD2 LYS 16 lone 5 90 - 6 - HB3 LYS 73 - HD2 LYS 40 lone 4 65 - 6 - HB2 LYS 73 - HD2 LYS 40 lone 4 62 - 6 - HB3 LYS 73 - HD3 LYS 40 lone 4 62 - 6 - HB2 LYS 73 - HD3 LYS 16 lone 4 77 - 5 - HB2 LYS 73 - HD3 LYS 40 lone 4 59 - 6 - HB3 LYS 73 - HD3 LYS 16 lone 4 81 - 5 - HB2 LYS 73 - HD2 LYS 16 lone 4 75 - 5 - HB3 LYS 73 - HD2 LYS 16 lone 4 79 - 5 - HG LEU 45 - HD2 LYS 44 lone 3 67 - 5 - 4013/3.7=1, 2.1/11533=1...(4) HG LEU 45 - HD3 LYS 44 lone 3 57 - 5 - 4013/3.7=1, 2.1/11533=1...(4) HG2 ARG 95 - HD2 LYS 40 lone 2 87 - 3 - 7791/6.2=1 HG2 ARG 95 - HD3 LYS 40 lone 2 84 - 3 - 7791/6.2=1 HG2 ARG 95 - HD2 LYS 44 lone 2 66 - 3 - HB3 LYS 73 - HD2 LYS 44 lone 2 48 - 3 - HG2 ARG 95 - HD3 LYS 44 lone 2 56 - 3 - HB2 LYS 73 - HD2 LYS 44 lone 2 45 - 3 - HB2 LYS 16 - HD2 LYS 44 lone 2 68 - 2 - HB3 LYS 16 - HD2 LYS 44 lone 2 68 - 2 - HB2 ARG 95 - HD2 LYS 40 lone 2 55 - 3 - HB2 ARG 95 - HD3 LYS 40 lone 1 53 - 3 - HB3 LYS 73 - HD3 LYS 44 lone 1 40 - 3 - HB2 LYS 16 - HD3 LYS 44 lone 1 58 - 2 - HB3 LYS 16 - HD3 LYS 44 lone 1 58 - 2 - HB2 LYS 73 - HD3 LYS 44 lone 1 38 - 3 - HG2 ARG 95 - HD2 LYS 16 lone 1 98 - 1 - HG2 ARG 95 - HD3 LYS 16 lone 1 99 - 1 - HB2 LYS 20 - HD2 LYS 44 lone 1 57 - 2 - HB3 LYS 20 - HD2 LYS 44 lone 1 57 - 2 - HB2 ARG 95 - HD3 LYS 16 lone 1 70 - 1 - HB2 ARG 95 - HD2 LYS 16 lone 1 68 - 1 - HB2 LYS 20 - HD3 LYS 44 lone 1 48 - 2 - HB3 LYS 20 - HD3 LYS 44 lone 1 48 - 2 - HB ILE 71 - HD3 LYS 16 lone 1 73 - 1 - HB ILE 71 - HD2 LYS 16 lone 1 71 - 1 - HG LEU 45 - HD3 LYS 16 lone 1 100 - 1 - HG LEU 45 - HD2 LYS 16 lone 1 99 - 1 - HG LEU 45 - HD2 LYS 40 lone 1 88 - 1 - HG LEU 45 - HD3 LYS 40 lone 1 85 - 1 - HB ILE 71 - HD2 LYS 44 lone 1 42 - 1 - HB2 ARG 95 - HD2 LYS 44 lone 0 40 - 1 - QE MET 67 - HD2 LYS 16 lone 0 99 - 0 - QE MET 67 - HD3 LYS 16 lone 0 100 - 0 - HB2 LEU 63 - HD2 LYS 16 lone 0 92 - 0 - HB2 LEU 63 - HD3 LYS 16 lone 0 94 - 0 - QE MET 42 - HD3 LYS 16 lone 0 81 - 0 - QE MET 42 - HD2 LYS 16 lone 0 79 - 0 - HB ILE 71 - HD3 LYS 44 lone 0 35 - 1 - HB ILE 7 - HD2 LYS 16 lone 0 85 - 0 - HB ILE 7 - HD3 LYS 16 lone 0 87 - 0 - QE MET 67 - HD2 LYS 44 lone 0 68 - 0 - HB2 LEU 63 - HD2 LYS 40 lone 0 79 - 0 - HB2 LEU 63 - HD3 LYS 40 lone 0 76 - 0 - HB3 ARG 118 - HD3 LYS 16 lone 0 94 - 0 - HB3 ARG 118 - HD2 LYS 16 lone 0 92 - 0 - HB ILE 71 - HD2 LYS 40 lone 0 59 - 0 - QE MET 67 - HD3 LYS 44 lone 0 58 - 0 - QE MET 67 - HD2 LYS 40 lone 0 89 - 0 - QE MET 67 - HD3 LYS 40 lone 0 85 - 0 - HB2 LEU 63 - HD2 LYS 44 lone 0 59 - 0 - HB ILE 71 - HD3 LYS 40 lone 0 56 - 0 - HB ILE 7 - HD2 LYS 40 lone 0 71 - 0 - HB2 ARG 95 - HD3 LYS 44 lone 0 33 - 1 - HB ILE 7 - HD3 LYS 40 lone 0 68 - 0 - QE MET 42 - HD2 LYS 40 lone 0 65 - 0 - HB3 ARG 118 - HD2 LYS 40 lone 0 79 - 0 - HB2 LYS 49 - HD3 LYS 16 lone 0 61 - 0 - QE MET 42 - HD3 LYS 40 lone 0 62 - 0 - HB2 LYS 49 - HD2 LYS 16 lone 0 60 - 0 - HB2 LEU 63 - HD3 LYS 44 lone 0 50 - 0 - HB3 ARG 118 - HD3 LYS 40 lone 0 76 - 0 - HB2 LYS 49 - HD2 LYS 40 lone 0 48 - 0 - HB2 LYS 49 - HD3 LYS 40 lone 0 46 - 0 - HB ILE 7 - HD2 LYS 44 lone 0 52 - 0 - HB3 ARG 118 - HD2 LYS 44 lone 0 59 - 0 - QE MET 42 - HD2 LYS 44 lone 0 48 - 0 - HB ILE 7 - HD3 LYS 44 lone 0 44 - 0 - HB3 ARG 118 - HD3 LYS 44 lone 0 50 - 0 - QE MET 42 - HD3 LYS 44 lone 0 40 - 0 - HB2 LYS 49 - HD2 LYS 44 lone 0 34 - 0 - HB2 LYS 49 - HD3 LYS 44 lone 0 29 - 0 - Peak 2783 from cnoeabs.peaks (1.88, 1.69, 29.24 ppm; 2.77 A): 4 out of 96 assignments used, quality = 1.00: HB2 LYS 16 + HD3 LYS 16 OK 82 100 - 82 - 3.6=44, 3.0/2757=8...(49) * HB3 LYS 16 + HD3 LYS 16 OK 82 100 - 82 - 3.6=44, 3.0/2757=8...(49) HB2 LYS 16 + HD2 LYS 16 OK 82 99 - 82 - 3.6=44, 3.0/2757=8...(49) HB3 LYS 16 + HD2 LYS 16 OK 81 99 - 82 - 3.6=44, 3.0/2757=8...(49) HB2 LYS 16 - HD2 LYS 40 OK 26 88 - 29 - 3.0/2756=2, 3.0/2766=2...(7) HB3 LYS 16 - HD2 LYS 40 OK 25 89 - 29 - 3.0/2756=2, 3.0/2766=2...(7) HB2 LYS 16 - HD3 LYS 40 OK 25 85 - 29 - 3.0/2756=2, 3.0/2766=2...(7) HB3 LYS 16 - HD3 LYS 40 OK 25 85 - 29 - 3.0/2756=2, 3.0/2766=2...(7) HB2 LYS 20 - HD2 LYS 40 OK 11 79 - 14 - HB3 LYS 20 - HD2 LYS 40 OK 11 79 - 14 - HB2 LYS 20 - HD3 LYS 40 OK 10 76 - 14 - HB3 LYS 20 - HD3 LYS 40 OK 10 76 - 14 - HB2 LYS 20 - HD3 LYS 16 lone 5 94 - 6 - HB3 LYS 20 - HD3 LYS 16 lone 5 94 - 6 - HB3 LYS 20 - HD2 LYS 16 lone 5 92 - 6 - HB2 LYS 20 - HD2 LYS 16 lone 5 92 - 6 - HB3 LYS 73 - HD2 LYS 40 lone 4 68 - 6 - HB2 LYS 73 - HD2 LYS 40 lone 4 65 - 6 - HB3 LYS 73 - HD3 LYS 40 lone 4 65 - 6 - HB2 LYS 73 - HD3 LYS 40 lone 4 62 - 6 - HB2 LYS 73 - HD3 LYS 16 lone 4 81 - 5 - HB3 LYS 73 - HD3 LYS 16 lone 4 84 - 5 - HB2 LYS 73 - HD2 LYS 16 lone 4 79 - 5 - HB3 LYS 73 - HD2 LYS 16 lone 4 82 - 5 - HG LEU 45 - HD2 LYS 44 lone 3 68 - 5 - 4013/3.7=1, 2.1/11533=1...(4) HG LEU 45 - HD3 LYS 44 lone 3 58 - 5 - 4013/3.7=1, 2.1/11533=1...(4) HG2 ARG 95 - HD2 LYS 40 lone 2 86 - 3 - 7791/6.2=1 HG2 ARG 95 - HD3 LYS 40 lone 2 82 - 3 - 7791/6.2=1 HG2 ARG 95 - HD2 LYS 44 lone 2 65 - 3 - HB2 ARG 95 - HD2 LYS 40 lone 2 59 - 3 - HB2 ARG 95 - HD3 LYS 40 lone 2 56 - 3 - HB3 LYS 73 - HD2 LYS 44 lone 2 50 - 4 - HB2 LYS 73 - HD2 LYS 44 lone 2 48 - 4 - HG2 ARG 95 - HD3 LYS 44 lone 2 55 - 3 - HB2 LYS 16 - HD2 LYS 44 lone 2 68 - 2 - HB3 LYS 16 - HD2 LYS 44 lone 2 68 - 2 - HB3 LYS 73 - HD3 LYS 44 lone 1 42 - 4 - HB2 LYS 73 - HD3 LYS 44 lone 1 40 - 4 - HB2 LYS 16 - HD3 LYS 44 lone 1 58 - 2 - HB3 LYS 16 - HD3 LYS 44 lone 1 58 - 2 - HG2 ARG 95 - HD2 LYS 16 lone 1 98 - 1 - HG2 ARG 95 - HD3 LYS 16 lone 1 99 - 1 - HB3 LYS 20 - HD2 LYS 44 lone 1 59 - 2 - HB2 LYS 20 - HD2 LYS 44 lone 1 59 - 2 - HB2 ARG 95 - HD3 LYS 16 lone 1 73 - 1 - HB2 ARG 95 - HD2 LYS 16 lone 1 71 - 2 - HB2 LYS 20 - HD3 LYS 44 lone 1 50 - 2 - HB3 LYS 20 - HD3 LYS 44 lone 1 50 - 2 - HB ILE 71 - HD3 LYS 16 lone 1 77 - 1 - HB ILE 71 - HD2 LYS 16 lone 1 75 - 1 - HG LEU 45 - HD3 LYS 16 lone 1 100 - 1 - HG LEU 45 - HD2 LYS 16 lone 1 99 - 1 - HG LEU 45 - HD2 LYS 40 lone 1 88 - 1 - HB2 ARG 95 - HD2 LYS 44 lone 1 42 - 1 - HG LEU 45 - HD3 LYS 40 lone 1 85 - 1 - HB ILE 71 - HD2 LYS 44 lone 1 45 - 1 - QE MET 67 - HD2 LYS 16 lone 0 99 - 0 - QE MET 67 - HD3 LYS 16 lone 0 100 - 0 - HB ILE 71 - HD3 LYS 44 lone 0 38 - 1 - HB2 LEU 63 - HD2 LYS 16 lone 0 90 - 0 - HB2 LEU 63 - HD3 LYS 16 lone 0 92 - 0 - QE MET 42 - HD3 LYS 16 lone 0 77 - 0 - QE MET 42 - HD2 LYS 16 lone 0 75 - 0 - HB ILE 7 - HD2 LYS 16 lone 0 88 - 0 - HB ILE 7 - HD3 LYS 16 lone 0 90 - 0 - QE MET 67 - HD2 LYS 44 lone 0 68 - 0 - HB2 ARG 95 - HD3 LYS 44 lone 0 35 - 1 - HB2 LEU 63 - HD2 LYS 40 lone 0 77 - 0 - HB ILE 71 - HD2 LYS 40 lone 0 62 - 0 - HB2 LEU 63 - HD3 LYS 40 lone 0 73 - 0 - QE MET 67 - HD3 LYS 44 lone 0 58 - 0 - HB ILE 71 - HD3 LYS 40 lone 0 59 - 0 - HB3 ARG 118 - HD3 LYS 16 lone 0 92 - 0 - HB3 ARG 118 - HD2 LYS 16 lone 0 90 - 0 - QE MET 67 - HD2 LYS 40 lone 0 88 - 0 - QE MET 67 - HD3 LYS 40 lone 0 85 - 0 - HB ILE 7 - HD2 LYS 40 lone 0 74 - 0 - HB2 LEU 63 - HD2 LYS 44 lone 0 57 - 0 - HB ILE 7 - HD3 LYS 40 lone 0 71 - 0 - HB2 LYS 49 - HD3 LYS 16 lone 0 65 - 0 - HB2 LYS 49 - HD2 LYS 16 lone 0 64 - 0 - QE MET 42 - HD2 LYS 40 lone 0 62 - 0 - HB3 ARG 118 - HD2 LYS 40 lone 0 77 - 0 - QE MET 42 - HD3 LYS 40 lone 0 59 - 0 - HB3 ARG 118 - HD3 LYS 40 lone 0 73 - 0 - HB2 LEU 63 - HD3 LYS 44 lone 0 48 - 0 - HB2 LYS 49 - HD2 LYS 40 lone 0 52 - 0 - HB2 LYS 49 - HD3 LYS 40 lone 0 49 - 0 - HB ILE 7 - HD2 LYS 44 lone 0 55 - 0 - HB3 ARG 118 - HD2 LYS 44 lone 0 57 - 0 - HB ILE 7 - HD3 LYS 44 lone 0 46 - 0 - QE MET 42 - HD2 LYS 44 lone 0 45 - 0 - HB3 ARG 118 - HD3 LYS 44 lone 0 48 - 0 - QE MET 42 - HD3 LYS 44 lone 0 38 - 0 - HB2 LYS 49 - HD2 LYS 44 lone 0 37 - 0 - HB2 LYS 49 - HD3 LYS 44 lone 0 31 - 0 - Peak 2784 from cnoeabs.peaks (1.63, 1.69, 29.24 ppm; 2.40 A): 4 out of 72 assignments used, quality = 1.00: * HG2 LYS 16 + HD3 LYS 16 OK 80 100 - 80 - 2.9=55, 2756/1.8=9...(21) HG2 LYS 16 + HD2 LYS 16 OK 80 99 - 80 - 2.9=55, 2757/1.8=9...(21) HG3 LYS 40 + HD2 LYS 40 OK 66 83 - 80 - 2.9=55, 3695/1.8=7...(28) HG3 LYS 40 + HD3 LYS 40 OK 64 80 - 80 - 2.9=55, 3695/1.8=7...(28) HG3 LYS 40 - HD3 LYS 16 OK 32 97 - 33 - 3694=4, 3695/1.8=3...(11) HG3 LYS 40 - HD2 LYS 16 OK 31 96 - 33 - 3694=5, 3694/1.8=3...(7) HG2 LYS 16 - HD2 LYS 40 OK 22 89 - 25 - 2756=4, 2756/1.8=3...(6) HG2 LYS 16 - HD3 LYS 40 OK 21 85 - 25 - 2756=4, 2756/1.8=3...(6) HB2 LEU 82 - HD3 LYS 16 lone 1 98 - 1 - HB2 LEU 82 - HD2 LYS 16 lone 1 97 - 1 - HG2 LYS 16 - HD2 LYS 44 lone 1 68 - 1 - HG2 LYS 16 - HD3 LYS 44 lone 1 58 - 1 - HB3 LEU 64 - HD3 LYS 16 lone 1 100 - 1 - HB3 LEU 64 - HD2 LYS 16 lone 1 99 - 1 - HG3 LYS 40 - HD2 LYS 44 lone 1 62 - 1 - HB ILE 116 - HD3 LYS 16 lone 1 100 - 1 - HB ILE 116 - HD2 LYS 16 lone 1 99 - 1 - HD2 LYS 77 - HD3 LYS 16 lone 1 100 - 0 - HD3 LYS 77 - HD3 LYS 16 lone 1 99 - 0 - HD2 LYS 77 - HD2 LYS 16 lone 1 99 - 0 - HD3 LYS 77 - HD2 LYS 16 lone 0 98 - 0 - HG LEU 63 - HD3 LYS 16 lone 0 97 - 0 - HG LEU 63 - HD2 LYS 16 lone 0 96 - 0 - HG3 LYS 40 - HD3 LYS 44 lone 0 53 - 1 - HG LEU 64 - HD3 LYS 16 lone 0 77 - 0 - HG LEU 64 - HD2 LYS 16 lone 0 75 - 0 - HG LEU 63 - HD2 LYS 40 lone 0 83 - 0 - HG LEU 63 - HD3 LYS 40 lone 0 80 - 0 - HG LEU 90 - HD3 LYS 16 lone 0 87 - 0 - HG LEU 90 - HD2 LYS 16 lone 0 85 - 0 - HB2 LEU 82 - HD2 LYS 40 lone 0 84 - 0 - HD2 LYS 77 - HD2 LYS 40 lone 0 88 - 0 - HD3 LYS 77 - HD2 LYS 40 lone 0 87 - 0 - HB2 LEU 82 - HD3 LYS 40 lone 0 81 - 0 - HD2 LYS 77 - HD3 LYS 40 lone 0 84 - 0 - HB3 LEU 64 - HD2 LYS 40 lone 0 88 - 0 - HD3 LYS 77 - HD3 LYS 40 lone 0 84 - 0 - HB3 LEU 64 - HD3 LYS 40 lone 0 85 - 0 - HB3 LEU 127 - HD3 LYS 16 lone 0 81 - 0 - HB3 LEU 127 - HD2 LYS 16 lone 0 79 - 0 - HB ILE 5 - HD3 LYS 16 lone 0 61 - 0 - HB ILE 116 - HD2 LYS 40 lone 0 88 - 0 - HB ILE 5 - HD2 LYS 16 lone 0 60 - 0 - HB ILE 116 - HD3 LYS 40 lone 0 84 - 0 - HG LEU 90 - HD2 LYS 40 lone 0 71 - 0 - HG LEU 90 - HD3 LYS 40 lone 0 68 - 0 - HB3 LEU 127 - HD2 LYS 40 lone 0 65 - 0 - HB3 LEU 127 - HD3 LYS 40 lone 0 62 - 0 - HB2 LEU 82 - HD2 LYS 44 lone 0 64 - 0 - HB ILE 116 - HD2 LYS 44 lone 0 67 - 0 - HB2 LEU 82 - HD3 LYS 44 lone 0 54 - 0 - HB ILE 116 - HD3 LYS 44 lone 0 57 - 0 - HB3 LEU 64 - HD2 LYS 44 lone 0 67 - 0 - HG LEU 63 - HD2 LYS 44 lone 0 62 - 0 - HB ILE 5 - HD2 LYS 40 lone 0 48 - 0 - HB ILE 5 - HD3 LYS 40 lone 0 46 - 0 - HB3 LEU 64 - HD3 LYS 44 lone 0 57 - 0 - HG LEU 63 - HD3 LYS 44 lone 0 53 - 0 - HG LEU 64 - HD2 LYS 40 lone 0 62 - 0 - HD2 LYS 77 - HD2 LYS 44 lone 0 67 - 0 - HD3 LYS 77 - HD2 LYS 44 lone 0 66 - 0 - HG LEU 64 - HD3 LYS 40 lone 0 59 - 0 - HD2 LYS 77 - HD3 LYS 44 lone 0 57 - 0 - HD3 LYS 77 - HD3 LYS 44 lone 0 56 - 0 - HG LEU 90 - HD2 LYS 44 lone 0 52 - 0 - HB3 LEU 127 - HD2 LYS 44 lone 0 48 - 0 - HG LEU 64 - HD2 LYS 44 lone 0 45 - 0 - HG LEU 90 - HD3 LYS 44 lone 0 44 - 0 - HB3 LEU 127 - HD3 LYS 44 lone 0 40 - 0 - HG LEU 64 - HD3 LYS 44 lone 0 38 - 0 - HB ILE 5 - HD2 LYS 44 lone 0 34 - 0 - HB ILE 5 - HD3 LYS 44 lone 0 29 - 0 - Peak 2785 from cnoeabs.peaks (1.40, 1.69, 29.24 ppm; 2.54 A): 3 out of 42 assignments used, quality = 0.99: * HG3 LYS 16 + HD3 LYS 16 OK 86 100 - 86 - 2.9=65, 1.8/2757=10...(25) HG3 LYS 16 + HD2 LYS 16 OK 86 99 - 86 - 2.9=65, 1.8/2757=10...(25) HG2 LYS 40 + HD2 LYS 40 OK 47 55 - 85 - 2.9=65, 1.8/3694=8...(28) HG2 LYS 40 - HD3 LYS 40 OK 45 53 - 85 - 2.9=65, 1.8/3694=8...(28) HG3 LYS 16 - HD2 LYS 40 OK 23 89 - 27 - 2766=4, 1.8/2756=3...(8) HG3 LYS 16 - HD3 LYS 40 OK 22 85 - 27 - 2766=4, 1.8/2756=3...(8) HG2 LYS 40 - HD3 LYS 16 OK 22 70 - 31 - 1.8/3694=3, 2.7/3700=2...(15) HG2 LYS 40 - HD2 LYS 16 OK 21 68 - 31 - 1.8/3694=3, 2.7/3700=2...(15) HB3 LEU 114 - HD2 LYS 16 lone 2 99 - 2 - HB3 LEU 114 - HD3 LYS 16 lone 2 100 - 2 - HG3 LYS 16 - HD2 LYS 44 lone 1 68 - 2 - HG LEU 14 - HD3 LYS 16 lone 1 65 - 2 - HG3 LYS 16 - HD3 LYS 44 lone 1 58 - 2 - QB ALA 113 - HD2 LYS 16 lone 1 79 - 1 - HG LEU 14 - HD2 LYS 16 lone 1 64 - 1 - QB ALA 113 - HD3 LYS 16 lone 1 81 - 1 - HB3 LEU 68 - HD3 LYS 16 lone 0 77 - 1 - HB3 LEU 68 - HD2 LYS 16 lone 0 75 - 1 - HG2 LYS 40 - HD2 LYS 44 lone 0 40 - 1 - HB3 LEU 114 - HD2 LYS 40 lone 0 88 - 0 - HB3 LEU 114 - HD3 LYS 40 lone 0 85 - 0 - HG3 LYS 106 - HD2 LYS 16 lone 0 97 - 0 - HG3 LYS 106 - HD3 LYS 16 lone 0 98 - 0 - HG2 LYS 40 - HD3 LYS 44 lone 0 33 - 1 - HG3 LYS 106 - HD2 LYS 40 lone 0 84 - 0 - HG3 LYS 106 - HD3 LYS 40 lone 0 81 - 0 - HB3 LEU 68 - HD2 LYS 40 lone 0 62 - 0 - HB3 LEU 68 - HD3 LYS 40 lone 0 59 - 0 - QB ALA 113 - HD2 LYS 40 lone 0 65 - 0 - QB ALA 113 - HD3 LYS 40 lone 0 62 - 0 - HB3 LEU 68 - HD2 LYS 44 lone 0 45 - 0 - HG LEU 14 - HD2 LYS 40 lone 0 52 - 0 - HG LEU 14 - HD3 LYS 40 lone 0 49 - 0 - HG3 LYS 106 - HD2 LYS 44 lone 0 64 - 0 - HB3 LEU 68 - HD3 LYS 44 lone 0 38 - 0 - HG3 LYS 106 - HD3 LYS 44 lone 0 54 - 0 - HB3 LEU 114 - HD2 LYS 44 lone 0 68 - 0 - HB3 LEU 114 - HD3 LYS 44 lone 0 58 - 0 - HG LEU 14 - HD2 LYS 44 lone 0 37 - 0 - QB ALA 113 - HD2 LYS 44 lone 0 48 - 0 - HG LEU 14 - HD3 LYS 44 lone 0 31 - 0 - QB ALA 113 - HD3 LYS 44 lone 0 40 - 0 - Peak 2786 from cnoeabs.peaks (1.69, 1.69, 29.24 ppm; diagonal): 5 out of 6 assignments used, quality = 1.00: HD3 LYS 16 + HD3 LYS 16 OK 100 100 - 100 HD2 LYS 16 + HD2 LYS 16 OK 99 99 - 100 HD2 LYS 40 + HD2 LYS 40 OK 87 87 - 100 HD3 LYS 40 + HD3 LYS 40 OK 82 82 - 100 HD2 LYS 44 + HD2 LYS 44 OK 45 45 - 100 HD3 LYS 44 - HD3 LYS 44 OK 33 33 - 100 Reference assignment not found: HD2 LYS 16 - HD3 LYS 16 Peak 2787 from cnoeabs.peaks (1.69, 1.69, 29.24 ppm; diagonal): 5 out of 6 assignments used, quality = 1.00: * HD3 LYS 16 + HD3 LYS 16 OK 100 100 - 100 HD2 LYS 16 + HD2 LYS 16 OK 99 99 - 100 HD2 LYS 40 + HD2 LYS 40 OK 83 83 - 100 HD3 LYS 40 + HD3 LYS 40 OK 78 78 - 100 HD2 LYS 44 + HD2 LYS 44 OK 52 52 - 100 HD3 LYS 44 - HD3 LYS 44 OK 40 40 - 100 Peak 2788 from cnoeabs.peaks (2.91, 1.69, 29.24 ppm; 2.79 A): 4 out of 84 assignments used, quality = 1.00: HE3 LYS 16 + HD3 LYS 16 OK 90 100 - 90 - 3.0=81, 2804/2.9=7...(25) * HE2 LYS 16 + HD3 LYS 16 OK 90 100 - 90 - 3.0=81, 2804/2.9=7...(25) HE3 LYS 16 + HD2 LYS 16 OK 90 99 - 90 - 3.0=81, 2794/2.9=7...(25) HE2 LYS 16 + HD2 LYS 16 OK 90 99 - 90 - 3.0=81, 2794/2.9=7...(25) HE3 LYS 16 - HD2 LYS 40 OK 23 89 - 26 - 2804/2.9=2, 6009/2.9=2...(11) HE2 LYS 16 - HD2 LYS 40 OK 23 89 - 26 - 2804/2.9=2, 6009/2.9=2...(11) HE2 LYS 16 - HD3 LYS 40 OK 22 85 - 26 - 2804/2.9=2, 6009/2.9=2...(11) HE3 LYS 16 - HD3 LYS 40 OK 22 85 - 26 - 2804/2.9=2, 6009/2.9=2...(11) HE3 LYS 17 - HD3 LYS 16 lone 3 92 - 4 - HE3 LYS 17 - HD2 LYS 16 lone 3 90 - 4 - HE3 LYS 115 - HD3 LYS 16 lone 3 100 - 3 - HE2 LYS 115 - HD3 LYS 16 lone 3 100 - 3 - HE2 LYS 115 - HD2 LYS 16 lone 3 99 - 3 - HE3 LYS 115 - HD2 LYS 16 lone 3 99 - 3 - HE2 LYS 65 - HD3 LYS 16 lone 2 98 - 2 - HE3 LYS 65 - HD3 LYS 16 lone 2 98 - 2 - HE2 LYS 65 - HD2 LYS 16 lone 2 97 - 2 - HE3 LYS 65 - HD2 LYS 16 lone 2 97 - 2 - HE3 LYS 17 - HD2 LYS 40 lone 2 77 - 2 - HE3 LYS 17 - HD3 LYS 40 lone 2 73 - 2 - HE3 LYS 115 - HD2 LYS 40 lone 1 88 - 1 - HE2 LYS 115 - HD2 LYS 40 lone 1 88 - 1 - HE3 LYS 115 - HD3 LYS 40 lone 1 85 - 1 - HE2 LYS 115 - HD3 LYS 40 lone 1 85 - 1 - HE2 LYS 16 - HD2 LYS 44 lone 1 68 - 1 - HE3 LYS 16 - HD2 LYS 44 lone 1 68 - 1 - HE2 LYS 65 - HD2 LYS 44 lone 1 64 - 1 - HE3 LYS 65 - HD2 LYS 44 lone 1 64 - 1 - HE2 LYS 16 - HD3 LYS 44 lone 1 58 - 1 - HE3 LYS 16 - HD3 LYS 44 lone 1 58 - 1 - HE3 LYS 65 - HD2 LYS 40 lone 1 84 - 1 - HE2 LYS 65 - HD2 LYS 40 lone 1 84 - 1 - HE2 LYS 65 - HD3 LYS 44 lone 1 54 - 1 - HE3 LYS 65 - HD3 LYS 44 lone 1 54 - 1 - HE2 LYS 65 - HD3 LYS 40 lone 1 81 - 1 - HE3 LYS 65 - HD3 LYS 40 lone 1 81 - 1 - HE3 LYS 94 - HD3 LYS 16 lone 0 97 - 0 - HE3 LYS 94 - HD2 LYS 16 lone 0 96 - 0 - HE3 LYS 94 - HD2 LYS 40 lone 0 83 - 0 - HE3 LYS 94 - HD2 LYS 44 lone 0 62 - 1 - HE3 LYS 94 - HD3 LYS 40 lone 0 80 - 0 - HB2 ASP 34 - HD3 LYS 16 lone 0 100 - 0 - HE3 LYS 94 - HD3 LYS 44 lone 0 53 - 1 - HB2 ASP 34 - HD2 LYS 16 lone 0 99 - 0 - HB2 ASN 33 - HD3 LYS 16 lone 0 100 - 0 - HB2 ASN 33 - HD2 LYS 16 lone 0 99 - 0 - HE3 LYS 17 - HD2 LYS 44 lone 0 57 - 1 - HE3 LYS 115 - HD2 LYS 44 lone 0 68 - 0 - HE2 LYS 115 - HD2 LYS 44 lone 0 68 - 0 - HB2 ASN 10 - HD3 LYS 16 lone 0 99 - 0 - HB3 ASN 88 - HD3 LYS 16 lone 0 99 - 0 - HB2 ASN 10 - HD2 LYS 16 lone 0 98 - 0 - HB3 ASN 88 - HD2 LYS 16 lone 0 98 - 0 - HE3 LYS 17 - HD3 LYS 44 lone 0 48 - 0 - HB2 ASP 34 - HD2 LYS 40 lone 0 88 - 0 - HE3 LYS 115 - HD3 LYS 44 lone 0 58 - 0 - HE2 LYS 115 - HD3 LYS 44 lone 0 58 - 0 - HB2 ASN 33 - HD2 LYS 40 lone 0 89 - 0 - HB2 ASP 34 - HD3 LYS 40 lone 0 85 - 0 - HB2 ASN 33 - HD3 LYS 40 lone 0 85 - 0 - HB2 ASN 10 - HD2 LYS 40 lone 0 87 - 0 - HB3 ASN 88 - HD2 LYS 40 lone 0 86 - 0 - HB2 ASN 10 - HD3 LYS 40 lone 0 84 - 0 - HB3 ASN 88 - HD3 LYS 40 lone 0 82 - 0 - HB2 ASP 34 - HD2 LYS 44 lone 0 68 - 0 - HB2 ASP 86 - HD3 LYS 16 lone 0 70 - 0 - HB2 ASN 8 - HD3 LYS 16 lone 0 61 - 0 - HB2 ASP 86 - HD2 LYS 16 lone 0 68 - 0 - HB2 ASN 33 - HD2 LYS 44 lone 0 68 - 0 - HB2 ASN 8 - HD2 LYS 16 lone 0 60 - 0 - HB3 ASN 88 - HD2 LYS 44 lone 0 65 - 0 - HB2 ASN 10 - HD2 LYS 44 lone 0 66 - 0 - HB2 ASP 34 - HD3 LYS 44 lone 0 58 - 0 - HB2 ASN 33 - HD3 LYS 44 lone 0 58 - 0 - HB3 ASN 88 - HD3 LYS 44 lone 0 55 - 0 - HB2 ASN 10 - HD3 LYS 44 lone 0 56 - 0 - HB2 ASP 86 - HD2 LYS 40 lone 0 55 - 0 - HB2 ASN 8 - HD2 LYS 40 lone 0 48 - 0 - HB2 ASP 86 - HD3 LYS 40 lone 0 53 - 0 - HB2 ASN 8 - HD3 LYS 40 lone 0 46 - 0 - HB2 ASP 86 - HD2 LYS 44 lone 0 40 - 0 - HB2 ASP 86 - HD3 LYS 44 lone 0 33 - 0 - HB2 ASN 8 - HD2 LYS 44 lone 0 34 - 0 - HB2 ASN 8 - HD3 LYS 44 lone 0 29 - 0 - Peak 2789 from cnoeabs.peaks (2.91, 1.69, 29.24 ppm; 2.79 A): 4 out of 84 assignments used, quality = 1.00: * HE3 LYS 16 + HD3 LYS 16 OK 90 100 - 90 - 3.0=81, 2804/2.9=7...(25) HE2 LYS 16 + HD3 LYS 16 OK 90 100 - 90 - 3.0=81, 2804/2.9=7...(25) HE3 LYS 16 + HD2 LYS 16 OK 90 99 - 90 - 3.0=81, 2794/2.9=7...(25) HE2 LYS 16 + HD2 LYS 16 OK 90 99 - 90 - 3.0=81, 2794/2.9=7...(25) HE3 LYS 16 - HD2 LYS 40 OK 23 89 - 26 - 2804/2.9=2, 6009/2.9=2...(11) HE2 LYS 16 - HD2 LYS 40 OK 23 89 - 26 - 2804/2.9=2, 6009/2.9=2...(11) HE2 LYS 16 - HD3 LYS 40 OK 22 85 - 26 - 2804/2.9=2, 6009/2.9=2...(11) HE3 LYS 16 - HD3 LYS 40 OK 22 85 - 26 - 2804/2.9=2, 6009/2.9=2...(11) HE3 LYS 17 - HD3 LYS 16 lone 3 92 - 4 - HE3 LYS 17 - HD2 LYS 16 lone 3 90 - 4 - HE3 LYS 115 - HD3 LYS 16 lone 3 100 - 3 - HE2 LYS 115 - HD3 LYS 16 lone 3 100 - 3 - HE2 LYS 115 - HD2 LYS 16 lone 3 99 - 3 - HE3 LYS 115 - HD2 LYS 16 lone 3 99 - 3 - HE2 LYS 65 - HD3 LYS 16 lone 2 98 - 2 - HE3 LYS 65 - HD3 LYS 16 lone 2 98 - 2 - HE2 LYS 65 - HD2 LYS 16 lone 2 97 - 2 - HE3 LYS 65 - HD2 LYS 16 lone 2 97 - 2 - HE3 LYS 17 - HD2 LYS 40 lone 2 77 - 2 - HE3 LYS 17 - HD3 LYS 40 lone 2 73 - 2 - HE3 LYS 115 - HD2 LYS 40 lone 1 88 - 1 - HE2 LYS 115 - HD2 LYS 40 lone 1 88 - 1 - HE3 LYS 115 - HD3 LYS 40 lone 1 85 - 1 - HE2 LYS 115 - HD3 LYS 40 lone 1 85 - 1 - HE2 LYS 16 - HD2 LYS 44 lone 1 68 - 1 - HE3 LYS 16 - HD2 LYS 44 lone 1 68 - 1 - HE2 LYS 65 - HD2 LYS 44 lone 1 64 - 1 - HE3 LYS 65 - HD2 LYS 44 lone 1 64 - 1 - HE2 LYS 16 - HD3 LYS 44 lone 1 58 - 1 - HE3 LYS 16 - HD3 LYS 44 lone 1 58 - 1 - HE3 LYS 65 - HD2 LYS 40 lone 1 84 - 1 - HE2 LYS 65 - HD2 LYS 40 lone 1 84 - 1 - HE2 LYS 65 - HD3 LYS 44 lone 1 54 - 1 - HE3 LYS 65 - HD3 LYS 44 lone 1 54 - 1 - HE2 LYS 65 - HD3 LYS 40 lone 1 81 - 1 - HE3 LYS 65 - HD3 LYS 40 lone 1 81 - 1 - HE3 LYS 94 - HD3 LYS 16 lone 0 97 - 0 - HE3 LYS 94 - HD2 LYS 16 lone 0 96 - 0 - HE3 LYS 94 - HD2 LYS 40 lone 0 83 - 0 - HE3 LYS 94 - HD2 LYS 44 lone 0 62 - 1 - HE3 LYS 94 - HD3 LYS 40 lone 0 80 - 0 - HB2 ASP 34 - HD3 LYS 16 lone 0 100 - 0 - HE3 LYS 94 - HD3 LYS 44 lone 0 53 - 1 - HB2 ASP 34 - HD2 LYS 16 lone 0 99 - 0 - HB2 ASN 33 - HD3 LYS 16 lone 0 100 - 0 - HB2 ASN 33 - HD2 LYS 16 lone 0 99 - 0 - HE3 LYS 17 - HD2 LYS 44 lone 0 57 - 1 - HE3 LYS 115 - HD2 LYS 44 lone 0 68 - 0 - HE2 LYS 115 - HD2 LYS 44 lone 0 68 - 0 - HB2 ASN 10 - HD3 LYS 16 lone 0 99 - 0 - HB3 ASN 88 - HD3 LYS 16 lone 0 99 - 0 - HB2 ASN 10 - HD2 LYS 16 lone 0 98 - 0 - HB3 ASN 88 - HD2 LYS 16 lone 0 98 - 0 - HE3 LYS 17 - HD3 LYS 44 lone 0 48 - 0 - HB2 ASP 34 - HD2 LYS 40 lone 0 88 - 0 - HE3 LYS 115 - HD3 LYS 44 lone 0 58 - 0 - HE2 LYS 115 - HD3 LYS 44 lone 0 58 - 0 - HB2 ASN 33 - HD2 LYS 40 lone 0 89 - 0 - HB2 ASP 34 - HD3 LYS 40 lone 0 85 - 0 - HB2 ASN 33 - HD3 LYS 40 lone 0 85 - 0 - HB2 ASN 10 - HD2 LYS 40 lone 0 87 - 0 - HB3 ASN 88 - HD2 LYS 40 lone 0 86 - 0 - HB2 ASN 10 - HD3 LYS 40 lone 0 84 - 0 - HB3 ASN 88 - HD3 LYS 40 lone 0 82 - 0 - HB2 ASP 34 - HD2 LYS 44 lone 0 68 - 0 - HB2 ASP 86 - HD3 LYS 16 lone 0 70 - 0 - HB2 ASN 8 - HD3 LYS 16 lone 0 61 - 0 - HB2 ASP 86 - HD2 LYS 16 lone 0 68 - 0 - HB2 ASN 33 - HD2 LYS 44 lone 0 68 - 0 - HB2 ASN 8 - HD2 LYS 16 lone 0 60 - 0 - HB3 ASN 88 - HD2 LYS 44 lone 0 65 - 0 - HB2 ASN 10 - HD2 LYS 44 lone 0 66 - 0 - HB2 ASP 34 - HD3 LYS 44 lone 0 58 - 0 - HB2 ASN 33 - HD3 LYS 44 lone 0 58 - 0 - HB3 ASN 88 - HD3 LYS 44 lone 0 55 - 0 - HB2 ASN 10 - HD3 LYS 44 lone 0 56 - 0 - HB2 ASP 86 - HD2 LYS 40 lone 0 55 - 0 - HB2 ASN 8 - HD2 LYS 40 lone 0 48 - 0 - HB2 ASP 86 - HD3 LYS 40 lone 0 53 - 0 - HB2 ASN 8 - HD3 LYS 40 lone 0 46 - 0 - HB2 ASP 86 - HD2 LYS 44 lone 0 40 - 0 - HB2 ASP 86 - HD3 LYS 44 lone 0 33 - 0 - HB2 ASN 8 - HD2 LYS 44 lone 0 34 - 0 - HB2 ASN 8 - HD3 LYS 44 lone 0 29 - 0 - Peak 2791 from cnoeabs.peaks (3.84, 2.91, 41.78 ppm; 6.20 A): 2 out of 24 assignments used, quality = 1.00: HA LYS 16 + HE3 LYS 16 OK 99 100 - 99 - 6.6=83, 2761/3.7=42...(34) * HA LYS 16 + HE2 LYS 16 OK 99 100 - 99 - 6.6=83, 2761/3.7=42...(34) HA LYS 39 - HE2 LYS 16 OK 15 100 - 14 - 2761/3.7=3, 2771/3.0=2 HA LYS 39 - HE3 LYS 16 OK 15 100 - 14 - 2761/3.7=3, 2771/3.0=2 HA LYS 16 - HE3 LYS 17 OK 12 83 - 15 - 2726/2.9=2, ~459=2...(5) HA2 GLY 75 - HE3 LYS 16 OK 12 97 - 12 - 2761/3.7=3, ~466=3...(4) HA2 GLY 75 - HE2 LYS 16 OK 12 97 - 12 - 2761/3.7=3, ~466=3...(4) HA LYS 16 - HE3 LYS 115 lone 10 100 - 10 - HA LYS 16 - HE2 LYS 115 lone 10 100 - 10 - HA LYS 16 - HE2 LYS 65 lone 7 96 - 7 - HA LYS 16 - HE3 LYS 65 lone 7 96 - 7 - HA LYS 39 - HE2 LYS 115 lone 4 100 - 4 - HA LYS 39 - HE3 LYS 115 lone 4 100 - 4 - HA LYS 39 - HE3 LYS 94 lone 4 93 - 4 - HA LYS 39 - HE2 LYS 65 lone 3 95 - 4 - HA LYS 39 - HE3 LYS 65 lone 3 95 - 4 - HA LYS 39 - HE3 LYS 17 lone 3 82 - 4 - HA2 GLY 75 - HE3 LYS 115 lone 2 97 - 2 - HA2 GLY 75 - HE2 LYS 115 lone 2 97 - 2 - HA LYS 16 - HE3 LYS 94 lone 2 93 - 2 - HA2 GLY 75 - HE3 LYS 65 lone 2 90 - 2 - HA2 GLY 75 - HE2 LYS 65 lone 2 90 - 2 - HA2 GLY 75 - HE3 LYS 17 lone 2 77 - 2 - HA2 GLY 75 - HE3 LYS 94 lone 2 88 - 2 - Peak 2792 from cnoeabs.peaks (1.88, 2.91, 41.78 ppm; 3.56 A): 4 out of 128 assignments used, quality = 1.00: HB2 LYS 16 + HE3 LYS 16 OK 85 100 - 85 - 5.1=35, 3.0/2804=10...(43) * HB2 LYS 16 + HE2 LYS 16 OK 85 100 - 85 - 5.1=35, 3.0/2804=10...(43) HB3 LYS 16 + HE3 LYS 16 OK 85 100 - 85 - 5.1=35, 3.0/2794=10...(43) HB3 LYS 16 + HE2 LYS 16 OK 85 100 - 85 - 5.1=35, 3.0/2794=10...(43) HB2 LYS 16 - HE3 LYS 17 lone 8 83 - 9 - 84/7.2=2, 7998/6.5=1 HB3 LYS 16 - HE3 LYS 17 lone 8 83 - 9 - 84/7.2=2, 7998/6.5=1 QE MET 67 - HE3 LYS 65 lone 7 96 - 7 - 9722/3.0=2, 9722/3.0=2 QE MET 67 - HE2 LYS 65 lone 7 96 - 7 - 9722/3.0=2, 9722/3.0=2 QE MET 42 - HE3 LYS 94 lone 7 70 - 10 - 9428/3.0=4, 9428/3.0=4 HB2 LYS 16 - HE3 LYS 115 lone 7 100 - 7 - HB2 LYS 16 - HE2 LYS 115 lone 7 100 - 7 - HB3 LYS 16 - HE3 LYS 115 lone 7 100 - 7 - HB3 LYS 16 - HE2 LYS 115 lone 7 100 - 7 - HB3 LYS 20 - HE2 LYS 16 lone 6 92 - 6 - HB3 LYS 20 - HE3 LYS 16 lone 6 92 - 6 - HB2 LYS 20 - HE2 LYS 16 lone 6 92 - 6 - HB2 LYS 20 - HE3 LYS 16 lone 6 92 - 6 - HB3 ARG 118 - HE3 LYS 115 lone 6 94 - 6 - 8264/6.2=6 HB3 ARG 118 - HE2 LYS 115 lone 6 94 - 6 - 8264/6.2=6 HB2 LYS 16 - HE2 LYS 65 lone 4 96 - 4 - HB2 LYS 16 - HE3 LYS 65 lone 4 96 - 4 - HB3 LYS 16 - HE2 LYS 65 lone 4 96 - 4 - HB3 LYS 16 - HE3 LYS 65 lone 4 96 - 4 - HB2 LYS 73 - HE2 LYS 16 lone 4 77 - 5 - HB2 LYS 73 - HE3 LYS 16 lone 4 77 - 5 - HB3 LYS 73 - HE3 LYS 16 lone 4 81 - 5 - HB3 LYS 73 - HE2 LYS 16 lone 4 81 - 5 - HB3 LYS 20 - HE3 LYS 17 lone 4 71 - 6 - 7998/6.5=2 HB2 LYS 20 - HE3 LYS 17 lone 4 71 - 6 - 7998/6.5=2 QE MET 67 - HE2 LYS 115 lone 3 100 - 3 - 9722/3.0=1, 9722/3.0=1 QE MET 67 - HE3 LYS 115 lone 3 100 - 3 - 9722/3.0=1, 9722/3.0=1 HB3 ARG 118 - HE2 LYS 65 lone 3 87 - 4 - 8265/6.7=2 HB3 ARG 118 - HE3 LYS 65 lone 3 87 - 4 - 8265/6.7=2 HB2 LYS 49 - HE2 LYS 115 lone 3 61 - 4 - HB2 LYS 49 - HE3 LYS 115 lone 3 61 - 4 - HG2 ARG 95 - HE3 LYS 94 lone 2 92 - 3 - 10097/6.9=2 HG LEU 45 - HE3 LYS 17 lone 2 82 - 2 - HB ILE 71 - HE3 LYS 17 lone 2 54 - 3 - HB2 LYS 49 - HE2 LYS 65 lone 2 55 - 3 - HB2 LYS 49 - HE3 LYS 65 lone 2 55 - 3 - QE MET 67 - HE3 LYS 17 lone 1 83 - 2 - QE MET 42 - HE3 LYS 16 lone 1 81 - 1 - QE MET 42 - HE2 LYS 16 lone 1 81 - 1 - HG2 ARG 95 - HE2 LYS 16 lone 1 99 - 1 - HG2 ARG 95 - HE3 LYS 16 lone 1 99 - 1 - HG LEU 45 - HE3 LYS 94 lone 1 93 - 1 - QE MET 67 - HE3 LYS 94 lone 1 93 - 1 - QE MET 42 - HE2 LYS 115 lone 1 80 - 1 - QE MET 42 - HE3 LYS 115 lone 1 80 - 1 - HB2 LEU 63 - HE3 LYS 65 lone 1 87 - 1 - HB2 LEU 63 - HE2 LYS 65 lone 1 87 - 1 - HB2 LEU 63 - HE2 LYS 115 lone 1 94 - 1 - HB2 LEU 63 - HE3 LYS 115 lone 1 94 - 1 - HB2 LYS 16 - HE3 LYS 94 lone 1 93 - 1 - HB2 ARG 95 - HE3 LYS 16 lone 1 70 - 1 - HB2 ARG 95 - HE2 LYS 16 lone 1 70 - 1 - HB3 LYS 16 - HE3 LYS 94 lone 1 93 - 1 - QE MET 42 - HE3 LYS 65 lone 1 73 - 1 - QE MET 42 - HE2 LYS 65 lone 1 73 - 1 - HB3 LYS 20 - HE3 LYS 94 lone 1 82 - 1 - HB2 LYS 20 - HE3 LYS 94 lone 1 82 - 1 - HB ILE 71 - HE3 LYS 65 lone 1 66 - 1 - HB ILE 71 - HE2 LYS 65 lone 1 66 - 1 - HB2 LEU 63 - HE2 LYS 16 lone 1 94 - 1 - HB2 LEU 63 - HE3 LYS 16 lone 1 94 - 1 - HB3 LYS 20 - HE3 LYS 115 lone 1 92 - 1 - HB2 LYS 20 - HE3 LYS 115 lone 1 92 - 1 - HB2 LYS 20 - HE2 LYS 115 lone 1 92 - 1 - HB3 LYS 20 - HE2 LYS 115 lone 1 92 - 1 - HB ILE 7 - HE3 LYS 17 lone 1 66 - 1 - HB3 LYS 73 - HE3 LYS 17 lone 1 60 - 1 - HB ILE 71 - HE2 LYS 16 lone 1 73 - 1 - HB ILE 71 - HE3 LYS 16 lone 1 73 - 1 - HB ILE 71 - HE2 LYS 115 lone 1 73 - 1 - HB ILE 71 - HE3 LYS 115 lone 1 73 - 1 - HB2 LYS 73 - HE3 LYS 17 lone 1 57 - 1 - HB3 LYS 20 - HE3 LYS 65 lone 1 84 - 1 - HB3 LYS 20 - HE2 LYS 65 lone 1 84 - 1 - HB2 LYS 20 - HE2 LYS 65 lone 1 84 - 1 - HB2 LYS 20 - HE3 LYS 65 lone 1 84 - 1 - HG LEU 45 - HE3 LYS 16 lone 1 100 - 1 - HG LEU 45 - HE2 LYS 16 lone 1 100 - 1 - HG2 ARG 95 - HE2 LYS 65 lone 1 94 - 1 - HG2 ARG 95 - HE3 LYS 65 lone 1 94 - 1 - QE MET 67 - HE2 LYS 16 lone 1 100 - 1 - QE MET 67 - HE3 LYS 16 lone 1 100 - 1 - HG2 ARG 95 - HE2 LYS 115 lone 1 99 - 1 - HG2 ARG 95 - HE3 LYS 115 lone 1 99 - 1 - HB2 LEU 63 - HE3 LYS 94 lone 1 84 - 1 - HB3 ARG 118 - HE3 LYS 94 lone 0 84 - 1 - HB ILE 71 - HE3 LYS 94 lone 1 63 - 1 - HB3 ARG 118 - HE2 LYS 16 lone 0 94 - 0 - HB3 ARG 118 - HE3 LYS 16 lone 0 94 - 0 - HB2 LYS 73 - HE3 LYS 115 lone 0 77 - 1 - HB2 LYS 73 - HE2 LYS 115 lone 0 77 - 1 - HB3 LYS 73 - HE3 LYS 115 lone 0 80 - 1 - HB3 LYS 73 - HE2 LYS 115 lone 0 80 - 1 - HG LEU 45 - HE2 LYS 115 lone 0 100 - 0 - HG LEU 45 - HE3 LYS 115 lone 0 100 - 0 - HB2 LYS 73 - HE3 LYS 65 lone 0 70 - 1 - HB2 LYS 73 - HE2 LYS 65 lone 0 70 - 1 - HB3 LYS 73 - HE2 LYS 65 lone 0 73 - 1 - HB3 LYS 73 - HE3 LYS 65 lone 0 73 - 1 - HB2 LEU 63 - HE3 LYS 17 lone 0 73 - 1 - HG LEU 45 - HE3 LYS 65 lone 0 95 - 0 - HG LEU 45 - HE2 LYS 65 lone 0 95 - 0 - HB ILE 7 - HE3 LYS 16 lone 0 87 - 0 - HB ILE 7 - HE2 LYS 16 lone 0 87 - 0 - QE MET 42 - HE3 LYS 17 lone 0 60 - 1 - HB2 LYS 49 - HE3 LYS 94 lone 0 52 - 1 - HB3 LYS 73 - HE3 LYS 94 lone 0 70 - 1 - HG2 ARG 95 - HE3 LYS 17 lone 0 81 - 0 - HB ILE 7 - HE2 LYS 115 lone 0 87 - 0 - HB ILE 7 - HE3 LYS 115 lone 0 87 - 0 - HB2 LYS 73 - HE3 LYS 94 lone 0 67 - 1 - HB ILE 7 - HE3 LYS 94 lone 0 76 - 0 - HB2 ARG 95 - HE3 LYS 115 lone 0 69 - 0 - HB2 ARG 95 - HE2 LYS 115 lone 0 69 - 0 - HB3 ARG 118 - HE3 LYS 17 lone 0 73 - 0 - HB2 LYS 49 - HE3 LYS 16 lone 0 61 - 0 - HB2 LYS 49 - HE2 LYS 16 lone 0 61 - 0 - HB ILE 7 - HE2 LYS 65 lone 0 79 - 0 - HB ILE 7 - HE3 LYS 65 lone 0 79 - 0 - HB2 ARG 95 - HE3 LYS 65 lone 0 62 - 0 - HB2 ARG 95 - HE2 LYS 65 lone 0 62 - 0 - HB2 ARG 95 - HE3 LYS 94 lone 0 60 - 0 - HB2 ARG 95 - HE3 LYS 17 lone 0 51 - 0 - HB2 LYS 49 - HE3 LYS 17 lone 0 44 - 1 - Peak 2793 from cnoeabs.peaks (1.88, 2.91, 41.78 ppm; 3.56 A): 4 out of 128 assignments used, quality = 1.00: HB2 LYS 16 + HE3 LYS 16 OK 85 100 - 85 - 5.1=35, 3.0/2804=10...(43) HB2 LYS 16 + HE2 LYS 16 OK 85 100 - 85 - 5.1=35, 3.0/2804=10...(43) HB3 LYS 16 + HE3 LYS 16 OK 85 100 - 85 - 5.1=35, 3.0/2794=10...(43) * HB3 LYS 16 + HE2 LYS 16 OK 85 100 - 85 - 5.1=35, 3.0/2794=10...(43) HB2 LYS 16 - HE3 LYS 17 lone 8 83 - 9 - 84/7.2=2, 7998/6.5=1 HB3 LYS 16 - HE3 LYS 17 lone 8 83 - 9 - 84/7.2=2, 7998/6.5=2 QE MET 67 - HE3 LYS 65 lone 7 96 - 7 - 9722/3.0=2, 9722/3.0=2 QE MET 67 - HE2 LYS 65 lone 7 96 - 7 - 9722/3.0=2, 9722/3.0=2 HB2 LYS 16 - HE2 LYS 115 lone 7 100 - 7 - HB2 LYS 16 - HE3 LYS 115 lone 7 100 - 7 - HB3 LYS 16 - HE3 LYS 115 lone 7 100 - 7 - HB3 LYS 16 - HE2 LYS 115 lone 7 100 - 7 - QE MET 42 - HE3 LYS 94 lone 6 67 - 9 - 9428/3.0=3, 9428/3.0=3 HB3 LYS 20 - HE3 LYS 16 lone 6 94 - 6 - HB2 LYS 20 - HE2 LYS 16 lone 6 94 - 6 - HB2 LYS 20 - HE3 LYS 16 lone 6 94 - 6 - HB3 LYS 20 - HE2 LYS 16 lone 6 94 - 6 - HB3 ARG 118 - HE3 LYS 115 lone 5 92 - 6 - 8264/6.2=5 HB3 ARG 118 - HE2 LYS 115 lone 5 92 - 6 - 8264/6.2=5 HB2 LYS 73 - HE2 LYS 16 lone 4 81 - 5 - HB2 LYS 73 - HE3 LYS 16 lone 4 81 - 5 - HB3 LYS 73 - HE3 LYS 16 lone 4 84 - 5 - HB3 LYS 73 - HE2 LYS 16 lone 4 84 - 5 - HB3 LYS 16 - HE2 LYS 65 lone 4 96 - 4 - HB3 LYS 16 - HE3 LYS 65 lone 4 96 - 4 - HB2 LYS 16 - HE2 LYS 65 lone 4 96 - 4 - HB2 LYS 16 - HE3 LYS 65 lone 4 96 - 4 - HB3 LYS 20 - HE3 LYS 17 lone 4 73 - 6 - 7996/6.5=2 HB2 LYS 20 - HE3 LYS 17 lone 4 73 - 6 - 7996/6.5=2 QE MET 67 - HE3 LYS 115 lone 3 100 - 3 - 9722/3.0=1, 9722/3.0=1 QE MET 67 - HE2 LYS 115 lone 3 100 - 3 - 9722/3.0=1, 9722/3.0=1 HB2 LYS 49 - HE3 LYS 115 lone 3 65 - 5 - HB2 LYS 49 - HE2 LYS 115 lone 3 65 - 5 - HB3 ARG 118 - HE3 LYS 65 lone 3 84 - 3 - 8265/6.7=2 HB3 ARG 118 - HE2 LYS 65 lone 3 84 - 3 - 8265/6.7=2 HG2 ARG 95 - HE3 LYS 94 lone 2 91 - 3 - 10097/6.9=2 HG LEU 45 - HE3 LYS 17 lone 2 83 - 2 - HB ILE 71 - HE3 LYS 17 lone 2 57 - 3 - HB2 LYS 49 - HE2 LYS 65 lone 2 58 - 3 - HB2 LYS 49 - HE3 LYS 65 lone 2 58 - 3 - QE MET 67 - HE3 LYS 17 lone 1 83 - 2 - HG2 ARG 95 - HE3 LYS 16 lone 1 99 - 1 - HG2 ARG 95 - HE2 LYS 16 lone 1 99 - 1 - HG LEU 45 - HE3 LYS 94 lone 1 93 - 1 - QE MET 42 - HE3 LYS 16 lone 1 77 - 1 - QE MET 42 - HE2 LYS 16 lone 1 77 - 1 - QE MET 67 - HE3 LYS 94 lone 1 93 - 1 - HB2 ARG 95 - HE2 LYS 16 lone 1 73 - 1 - HB2 ARG 95 - HE3 LYS 16 lone 1 73 - 1 - HB2 LYS 20 - HE3 LYS 94 lone 1 84 - 1 - HB3 LYS 20 - HE3 LYS 94 lone 1 84 - 1 - HB2 LEU 63 - HE3 LYS 65 lone 1 84 - 1 - HB2 LEU 63 - HE2 LYS 65 lone 1 84 - 1 - HB2 LYS 16 - HE3 LYS 94 lone 1 93 - 1 - HB2 LEU 63 - HE2 LYS 115 lone 1 92 - 1 - HB2 LEU 63 - HE3 LYS 115 lone 1 92 - 1 - HB ILE 71 - HE2 LYS 65 lone 1 70 - 1 - HB ILE 71 - HE3 LYS 65 lone 1 70 - 1 - HB3 LYS 16 - HE3 LYS 94 lone 1 93 - 1 - QE MET 42 - HE3 LYS 115 lone 1 77 - 1 - QE MET 42 - HE2 LYS 115 lone 1 77 - 1 - QE MET 42 - HE3 LYS 65 lone 1 70 - 1 - QE MET 42 - HE2 LYS 65 lone 1 70 - 1 - HB2 LYS 20 - HE2 LYS 115 lone 1 94 - 1 - HB3 LYS 20 - HE2 LYS 115 lone 1 94 - 1 - HB2 LYS 20 - HE3 LYS 115 lone 1 94 - 1 - HB3 LYS 20 - HE3 LYS 115 lone 1 94 - 1 - HB2 LEU 63 - HE3 LYS 16 lone 1 92 - 1 - HB2 LEU 63 - HE2 LYS 16 lone 1 92 - 1 - HB ILE 7 - HE3 LYS 17 lone 1 68 - 1 - HB3 LYS 73 - HE3 LYS 17 lone 1 63 - 1 - HB ILE 71 - HE3 LYS 16 lone 1 77 - 1 - HB ILE 71 - HE2 LYS 16 lone 1 77 - 1 - HB ILE 71 - HE2 LYS 115 lone 1 77 - 1 - HB ILE 71 - HE3 LYS 115 lone 1 77 - 1 - HB2 LYS 73 - HE3 LYS 17 lone 1 60 - 1 - HB3 LYS 20 - HE3 LYS 65 lone 1 87 - 1 - HB2 LYS 20 - HE3 LYS 65 lone 1 87 - 1 - HB3 LYS 20 - HE2 LYS 65 lone 1 87 - 1 - HB2 LYS 20 - HE2 LYS 65 lone 1 87 - 1 - HG LEU 45 - HE3 LYS 16 lone 1 100 - 1 - HG LEU 45 - HE2 LYS 16 lone 1 100 - 1 - HG2 ARG 95 - HE3 LYS 65 lone 1 93 - 1 - HG2 ARG 95 - HE2 LYS 65 lone 1 93 - 1 - HB ILE 71 - HE3 LYS 94 lone 1 67 - 1 - QE MET 67 - HE3 LYS 16 lone 1 100 - 1 - QE MET 67 - HE2 LYS 16 lone 1 100 - 1 - HG2 ARG 95 - HE3 LYS 115 lone 1 99 - 1 - HG2 ARG 95 - HE2 LYS 115 lone 1 99 - 1 - HB2 LEU 63 - HE3 LYS 94 lone 0 82 - 1 - HB2 LYS 73 - HE2 LYS 115 lone 0 80 - 1 - HB2 LYS 73 - HE3 LYS 115 lone 0 80 - 1 - HB3 ARG 118 - HE3 LYS 94 lone 0 82 - 1 - HB3 LYS 73 - HE3 LYS 115 lone 0 84 - 1 - HB3 LYS 73 - HE2 LYS 115 lone 0 84 - 1 - HB3 ARG 118 - HE2 LYS 16 lone 0 92 - 0 - HB3 ARG 118 - HE3 LYS 16 lone 0 92 - 0 - HB2 LYS 73 - HE3 LYS 65 lone 0 73 - 1 - HB2 LYS 73 - HE2 LYS 65 lone 0 73 - 1 - HB3 LYS 73 - HE3 LYS 65 lone 0 76 - 1 - HB3 LYS 73 - HE2 LYS 65 lone 0 76 - 1 - HG LEU 45 - HE3 LYS 115 lone 0 100 - 0 - HG LEU 45 - HE2 LYS 115 lone 0 100 - 0 - HB2 LYS 49 - HE3 LYS 94 lone 0 56 - 1 - HB ILE 7 - HE2 LYS 16 lone 0 90 - 0 - HB ILE 7 - HE3 LYS 16 lone 0 90 - 0 - HG LEU 45 - HE3 LYS 65 lone 0 96 - 0 - HG LEU 45 - HE2 LYS 65 lone 0 96 - 0 - HB2 LEU 63 - HE3 LYS 17 lone 0 71 - 1 - HB3 LYS 73 - HE3 LYS 94 lone 0 73 - 1 - HB ILE 7 - HE2 LYS 115 lone 0 89 - 0 - HB ILE 7 - HE3 LYS 115 lone 0 89 - 0 - QE MET 42 - HE3 LYS 17 lone 0 57 - 1 - HB2 LYS 73 - HE3 LYS 94 lone 0 70 - 1 - HG2 ARG 95 - HE3 LYS 17 lone 0 80 - 0 - HB ILE 7 - HE3 LYS 94 lone 0 79 - 0 - HB2 LYS 49 - HE2 LYS 16 lone 0 65 - 0 - HB2 LYS 49 - HE3 LYS 16 lone 0 65 - 0 - HB2 ARG 95 - HE3 LYS 115 lone 0 73 - 0 - HB2 ARG 95 - HE2 LYS 115 lone 0 73 - 0 - HB2 ARG 95 - HE3 LYS 65 lone 0 66 - 0 - HB2 ARG 95 - HE2 LYS 65 lone 0 66 - 0 - HB ILE 7 - HE2 LYS 65 lone 0 82 - 0 - HB ILE 7 - HE3 LYS 65 lone 0 82 - 0 - HB3 ARG 118 - HE3 LYS 17 lone 0 71 - 0 - HB2 ARG 95 - HE3 LYS 94 lone 0 63 - 0 - HB2 ARG 95 - HE3 LYS 17 lone 0 54 - 0 - HB2 LYS 49 - HE3 LYS 17 lone 0 47 - 1 - Peak 2794 from cnoeabs.peaks (1.63, 2.91, 41.78 ppm; 2.63 A): 4 out of 96 assignments used, quality = 0.94: * HG2 LYS 16 + HE2 LYS 16 OK 68 100 - 68 - 3.7=37, 2757/3.0=7...(28) HG2 LYS 16 + HE3 LYS 16 OK 68 100 - 68 - 3.7=37, 2757/3.0=7...(28) HG3 LYS 40 + HE2 LYS 16 OK 26 97 - 27 - 1.8/6009=2, 3695/3.0=2...(8) HG3 LYS 40 + HE3 LYS 16 OK 26 97 - 27 - 1.8/6009=2, 3695/3.0=2...(8) HB2 LEU 82 - HE3 LYS 17 lone 4 78 - 5 - 9964/3.8=2 HG2 LYS 16 - HE2 LYS 115 lone 3 100 - 3 - HG2 LYS 16 - HE3 LYS 115 lone 3 100 - 3 - HG LEU 90 - HE3 LYS 94 lone 2 76 - 3 - HG2 LYS 16 - HE3 LYS 17 lone 2 83 - 3 - HB ILE 116 - HE2 LYS 115 lone 2 100 - 2 - 8253/6.2=1 HB ILE 116 - HE3 LYS 115 lone 2 100 - 2 - 8253/6.2=1 HG3 LYS 40 - HE3 LYS 17 lone 2 77 - 3 - HG2 LYS 16 - HE3 LYS 65 lone 2 96 - 2 - HG2 LYS 16 - HE2 LYS 65 lone 2 96 - 2 - HB ILE 116 - HE3 LYS 17 lone 1 82 - 1 - HG3 LYS 40 - HE2 LYS 115 lone 1 97 - 1 - HG3 LYS 40 - HE3 LYS 115 lone 1 97 - 1 - HB ILE 5 - HE3 LYS 17 lone 1 44 - 2 - ~11480=1 HB ILE 116 - HE2 LYS 65 lone 1 95 - 1 - HB ILE 116 - HE3 LYS 65 lone 1 95 - 1 - HB3 LEU 64 - HE2 LYS 65 lone 1 95 - 1 - HB3 LEU 64 - HE3 LYS 65 lone 1 95 - 1 - HB3 LEU 64 - HE2 LYS 115 lone 1 100 - 1 - HB3 LEU 64 - HE3 LYS 115 lone 1 100 - 1 - HB2 LEU 82 - HE2 LYS 16 lone 1 98 - 1 - HB2 LEU 82 - HE3 LYS 16 lone 1 98 - 1 - HG LEU 64 - HE2 LYS 115 lone 1 77 - 1 - HG LEU 64 - HE3 LYS 115 lone 1 77 - 1 - HB3 LEU 64 - HE2 LYS 16 lone 1 100 - 1 - HB3 LEU 64 - HE3 LYS 16 lone 1 100 - 1 - HG LEU 90 - HE3 LYS 65 lone 1 79 - 1 - HG LEU 90 - HE2 LYS 65 lone 1 79 - 1 - HG3 LYS 40 - HE3 LYS 65 lone 1 90 - 1 - HG3 LYS 40 - HE2 LYS 65 lone 1 90 - 1 - HB2 LEU 82 - HE3 LYS 94 lone 1 89 - 1 - HD2 LYS 77 - HE3 LYS 16 lone 0 100 - 0 - HD2 LYS 77 - HE2 LYS 16 lone 0 100 - 0 - HD3 LYS 77 - HE3 LYS 16 lone 0 99 - 0 - HD3 LYS 77 - HE2 LYS 16 lone 0 99 - 0 - HG LEU 63 - HE3 LYS 65 lone 0 90 - 1 - HG LEU 63 - HE2 LYS 65 lone 0 90 - 1 - HB ILE 116 - HE3 LYS 16 lone 0 100 - 0 - HB ILE 116 - HE2 LYS 16 lone 0 100 - 0 - HG LEU 63 - HE2 LYS 16 lone 0 97 - 0 - HG LEU 63 - HE3 LYS 16 lone 0 97 - 0 - HB3 LEU 64 - HE3 LYS 17 lone 0 82 - 0 - HG3 LYS 40 - HE3 LYS 94 lone 0 88 - 0 - HG LEU 64 - HE3 LYS 16 lone 0 77 - 0 - HG LEU 64 - HE2 LYS 16 lone 0 77 - 0 - HG LEU 63 - HE2 LYS 115 lone 0 97 - 0 - HG LEU 63 - HE3 LYS 115 lone 0 97 - 0 - HG LEU 64 - HE3 LYS 17 lone 0 57 - 1 - HG2 LYS 16 - HE3 LYS 94 lone 0 93 - 0 - HG LEU 90 - HE2 LYS 16 lone 0 87 - 0 - HG LEU 90 - HE3 LYS 16 lone 0 87 - 0 - HB2 LEU 82 - HE2 LYS 115 lone 0 98 - 0 - HB2 LEU 82 - HE3 LYS 115 lone 0 98 - 0 - HD2 LYS 77 - HE2 LYS 65 lone 0 95 - 0 - HD2 LYS 77 - HE3 LYS 65 lone 0 95 - 0 - HD3 LYS 77 - HE3 LYS 65 lone 0 94 - 0 - HD3 LYS 77 - HE2 LYS 65 lone 0 94 - 0 - HG LEU 90 - HE2 LYS 115 lone 0 87 - 0 - HG LEU 90 - HE3 LYS 115 lone 0 87 - 0 - HB2 LEU 82 - HE2 LYS 65 lone 0 92 - 0 - HB2 LEU 82 - HE3 LYS 65 lone 0 92 - 0 - HD2 LYS 77 - HE2 LYS 115 lone 0 100 - 0 - HD2 LYS 77 - HE3 LYS 115 lone 0 100 - 0 - HB3 LEU 127 - HE3 LYS 16 lone 0 81 - 0 - HB3 LEU 127 - HE2 LYS 16 lone 0 81 - 0 - HD3 LYS 77 - HE2 LYS 115 lone 0 99 - 0 - HD3 LYS 77 - HE3 LYS 115 lone 0 99 - 0 - HB3 LEU 64 - HE3 LYS 94 lone 0 93 - 0 - HD2 LYS 77 - HE3 LYS 94 lone 0 92 - 0 - HD3 LYS 77 - HE3 LYS 94 lone 0 92 - 0 - HB3 LEU 127 - HE3 LYS 17 lone 0 60 - 0 - HB ILE 116 - HE3 LYS 94 lone 0 92 - 0 - HB3 LEU 127 - HE3 LYS 115 lone 0 80 - 0 - HB3 LEU 127 - HE2 LYS 115 lone 0 80 - 0 - HB3 LEU 127 - HE2 LYS 65 lone 0 73 - 0 - HB3 LEU 127 - HE3 LYS 65 lone 0 73 - 0 - HG LEU 63 - HE3 LYS 17 lone 0 77 - 0 - HG LEU 63 - HE3 LYS 94 lone 0 88 - 0 - HD2 LYS 77 - HE3 LYS 17 lone 0 82 - 0 - HD3 LYS 77 - HE3 LYS 17 lone 0 81 - 0 - HB3 LEU 127 - HE3 LYS 94 lone 0 70 - 0 - HB ILE 5 - HE2 LYS 16 lone 0 61 - 0 - HB ILE 5 - HE3 LYS 16 lone 0 61 - 0 - HG LEU 64 - HE3 LYS 94 lone 0 67 - 0 - HG LEU 64 - HE3 LYS 65 lone 0 70 - 0 - HG LEU 64 - HE2 LYS 65 lone 0 70 - 0 - HG LEU 90 - HE3 LYS 17 lone 0 66 - 0 - HB ILE 5 - HE2 LYS 115 lone 0 61 - 0 - HB ILE 5 - HE3 LYS 115 lone 0 61 - 0 - HB ILE 5 - HE3 LYS 65 lone 0 55 - 0 - HB ILE 5 - HE2 LYS 65 lone 0 55 - 0 - HB ILE 5 - HE3 LYS 94 lone 0 52 - 0 - Peak 2795 from cnoeabs.peaks (1.40, 2.91, 41.78 ppm; 3.23 A): 2 out of 56 assignments used, quality = 0.99: HG3 LYS 16 + HE3 LYS 16 OK 91 100 - 91 - 3.7=68, 1.8/2794=12...(37) * HG3 LYS 16 + HE2 LYS 16 OK 91 100 - 91 - 3.7=68, 1.8/2794=12...(37) HG2 LYS 40 - HE2 LYS 16 OK 27 70 - 39 - 1.8/2794=4, 2.7/2892=3...(17) HG2 LYS 40 - HE3 LYS 16 OK 27 70 - 39 - 1.8/2794=4, 2.7/2892=3...(17) HB3 LEU 114 - HE3 LYS 17 OK 16 83 - 20 - 3.1/11218=4, ~11514=4...(8) HB3 LEU 114 - HE3 LYS 115 lone 6 100 - 6 - 7883/7.2=2, 3.1/11218=1 HB3 LEU 114 - HE2 LYS 115 lone 6 100 - 6 - 7883/7.2=2, 3.1/11218=1 HG3 LYS 16 - HE3 LYS 17 lone 6 83 - 7 - 7369/7.2=3 HG LEU 14 - HE3 LYS 17 poor 6 47 - 12 - ~11477=4, ~11478=4, ~11479=3 HG3 LYS 16 - HE2 LYS 115 lone 5 100 - 5 - HG3 LYS 16 - HE3 LYS 115 lone 5 100 - 5 - HG3 LYS 16 - HE3 LYS 65 lone 3 96 - 3 - HG3 LYS 16 - HE2 LYS 65 lone 3 96 - 3 - QB ALA 113 - HE2 LYS 115 lone 3 80 - 4 - 10408/7.2=2 QB ALA 113 - HE3 LYS 115 lone 3 80 - 4 - 10408/7.2=2 HB3 LEU 114 - HE2 LYS 16 lone 3 100 - 3 - HB3 LEU 114 - HE3 LYS 16 lone 3 100 - 3 - HG2 LYS 40 - HE3 LYS 17 lone 2 51 - 5 - ~2882=1 HB3 LEU 114 - HE2 LYS 65 lone 2 96 - 2 - 4.3/1758=1 HB3 LEU 114 - HE3 LYS 65 lone 2 96 - 2 - 4.3/1758=1 HB3 LEU 68 - HE2 LYS 65 lone 2 70 - 2 - 8127/6.7=2 HB3 LEU 68 - HE3 LYS 65 lone 2 70 - 2 - 8127/6.7=2 QB ALA 113 - HE2 LYS 65 lone 1 73 - 2 - QB ALA 113 - HE3 LYS 65 lone 1 73 - 2 - QB ALA 113 - HE3 LYS 17 lone 1 60 - 2 - HG2 LYS 40 - HE3 LYS 115 lone 1 69 - 2 - HG2 LYS 40 - HE2 LYS 115 lone 1 69 - 2 - HB3 LEU 114 - HE3 LYS 94 lone 1 93 - 1 - QB ALA 113 - HE2 LYS 16 lone 1 81 - 1 - QB ALA 113 - HE3 LYS 16 lone 1 81 - 1 - HB3 LEU 68 - HE3 LYS 115 lone 1 77 - 1 - HB3 LEU 68 - HE2 LYS 115 lone 1 77 - 1 - HG LEU 14 - HE3 LYS 94 lone 1 56 - 1 - HG LEU 14 - HE3 LYS 16 lone 1 65 - 1 - HG LEU 14 - HE2 LYS 16 lone 1 65 - 1 - HG2 LYS 40 - HE3 LYS 65 lone 1 62 - 1 - HG2 LYS 40 - HE2 LYS 65 lone 1 62 - 1 - HG LEU 14 - HE2 LYS 115 lone 1 65 - 1 - HG LEU 14 - HE3 LYS 115 lone 1 65 - 1 - HB3 LEU 68 - HE2 LYS 16 lone 1 77 - 1 - HB3 LEU 68 - HE3 LYS 16 lone 1 77 - 1 - HG3 LYS 16 - HE3 LYS 94 lone 1 93 - 1 - HG3 LYS 106 - HE2 LYS 115 lone 1 98 - 1 - HG3 LYS 106 - HE3 LYS 115 lone 1 98 - 1 - HG3 LYS 106 - HE3 LYS 94 lone 1 89 - 1 - HG3 LYS 106 - HE2 LYS 16 lone 1 98 - 1 - HG3 LYS 106 - HE3 LYS 16 lone 1 98 - 1 - HB3 LEU 68 - HE3 LYS 17 lone 1 57 - 1 - HG LEU 14 - HE2 LYS 65 lone 0 58 - 1 - HG LEU 14 - HE3 LYS 65 lone 0 58 - 1 - HG3 LYS 106 - HE3 LYS 65 lone 0 92 - 0 - HG3 LYS 106 - HE2 LYS 65 lone 0 92 - 0 - HG2 LYS 40 - HE3 LYS 94 lone 0 60 - 1 - HG3 LYS 106 - HE3 LYS 17 lone 0 78 - 0 - HB3 LEU 68 - HE3 LYS 94 lone 0 67 - 0 - QB ALA 113 - HE3 LYS 94 lone 0 70 - 0 - Peak 2796 from cnoeabs.peaks (1.69, 2.91, 41.78 ppm; 2.57 A): 5 out of 184 assignments used, quality = 1.00: HD2 LYS 16 + HE3 LYS 16 OK 78 100 - 78 - 3.0=63, 2779/1.8=5...(18) * HD2 LYS 16 + HE2 LYS 16 OK 78 100 - 78 - 3.0=63, 2779/1.8=5...(18) HD3 LYS 16 + HE3 LYS 16 OK 78 100 - 78 - 3.0=63, 1.8/2778=5...(18) HD3 LYS 16 + HE2 LYS 16 OK 78 100 - 78 - 3.0=63, 1.8/2778=5...(18) HD2 LYS 17 + HE3 LYS 17 OK 60 80 - 76 - 2.9=66, 2864/3.8=9...(7) HD2 LYS 40 - HE2 LYS 16 OK 20 99 - 20 - 2778=2, 2.9/6009=2...(7) HD2 LYS 40 - HE3 LYS 16 OK 20 99 - 20 - 2779=2, 2.9/6009=2...(7) HD3 LYS 40 - HE2 LYS 16 OK 19 99 - 20 - 2779=2, 2.9/6009=2...(7) HD3 LYS 40 - HE3 LYS 16 OK 19 99 - 20 - 2779=2, 2.9/6009=2...(7) HB ILE 56 - HE3 LYS 94 lone 7 92 - 8 - ~9551=2, 10948/3.0=2 HD3 LYS 96 - HE3 LYS 65 lone 5 95 - 5 - HD3 LYS 96 - HE2 LYS 65 lone 5 95 - 5 - HD2 LYS 96 - HE3 LYS 65 lone 5 93 - 5 - HD2 LYS 96 - HE2 LYS 65 lone 5 93 - 5 - HB ILE 56 - HE3 LYS 17 lone 3 82 - 4 - HD2 LYS 17 - HE2 LYS 16 lone 3 99 - 3 - HD2 LYS 17 - HE3 LYS 16 lone 3 99 - 3 - HD2 LYS 16 - HE3 LYS 115 lone 2 100 - 2 - HD2 LYS 16 - HE2 LYS 115 lone 2 100 - 2 - HD3 LYS 16 - HE2 LYS 115 lone 2 100 - 2 - HD3 LYS 16 - HE3 LYS 115 lone 2 100 - 2 - HD3 LYS 20 - HE2 LYS 16 lone 2 100 - 2 - HD3 LYS 20 - HE3 LYS 16 lone 2 100 - 2 - HD2 LYS 20 - HE3 LYS 16 lone 2 100 - 2 - HD2 LYS 20 - HE2 LYS 16 lone 2 100 - 2 - HD2 LYS 16 - HE3 LYS 17 lone 2 83 - 2 - HD3 LYS 16 - HE3 LYS 17 lone 2 82 - 2 - HD2 LYS 16 - HE2 LYS 65 lone 2 96 - 2 - HD2 LYS 16 - HE3 LYS 65 lone 2 96 - 2 - HD3 LYS 16 - HE2 LYS 65 lone 2 95 - 2 - HD3 LYS 16 - HE3 LYS 65 lone 2 95 - 2 - HD3 LYS 96 - HE3 LYS 16 lone 1 100 - 1 - HD3 LYS 96 - HE2 LYS 16 lone 1 100 - 1 - HD3 LYS 73 - HE2 LYS 16 lone 1 100 - 1 - HD3 LYS 73 - HE3 LYS 16 lone 1 100 - 1 - HD2 LYS 73 - HE2 LYS 16 lone 1 100 - 1 - HD2 LYS 73 - HE3 LYS 16 lone 1 100 - 1 - HD2 LYS 96 - HE2 LYS 16 lone 1 99 - 1 - HD2 LYS 96 - HE3 LYS 16 lone 1 99 - 1 - HD2 LYS 17 - HE3 LYS 115 lone 1 99 - 1 - HD2 LYS 17 - HE2 LYS 115 lone 1 99 - 1 - HG3 LYS 123 - HE2 LYS 16 lone 1 84 - 1 - HG3 LYS 123 - HE3 LYS 16 lone 1 84 - 1 - HG12 ILE 71 - HE3 LYS 17 lone 1 75 - 2 - HG3 LYS 123 - HE3 LYS 115 lone 1 84 - 1 - HG3 LYS 123 - HE2 LYS 115 lone 1 84 - 1 - HD3 LYS 20 - HE3 LYS 17 lone 1 83 - 1 - HD2 LYS 20 - HE3 LYS 17 lone 1 82 - 1 - HG3 LYS 39 - HE3 LYS 16 lone 1 84 - 1 - HG3 LYS 39 - HE2 LYS 16 lone 1 84 - 1 - HD2 LYS 40 - HE3 LYS 17 lone 1 81 - 1 - HD3 LYS 40 - HE3 LYS 17 lone 1 80 - 1 - HG3 LYS 123 - HE2 LYS 65 lone 1 76 - 1 - HG3 LYS 123 - HE3 LYS 65 lone 1 76 - 1 - HD3 LYS 96 - HE3 LYS 94 lone 1 92 - 1 - HD2 LYS 96 - HE3 LYS 94 lone 1 91 - 1 - HD2 LYS 40 - HE2 LYS 115 lone 1 99 - 1 - HD2 LYS 40 - HE3 LYS 115 lone 1 99 - 1 - HD3 LYS 40 - HE3 LYS 115 lone 1 99 - 1 - HD3 LYS 40 - HE2 LYS 115 lone 1 99 - 1 - HG3 LYS 123 - HE3 LYS 94 lone 1 73 - 1 - HD3 LYS 43 - HE3 LYS 16 lone 1 100 - 1 - HD3 LYS 43 - HE2 LYS 16 lone 1 100 - 1 - HD2 LYS 44 - HE2 LYS 16 lone 1 77 - 1 - HD2 LYS 44 - HE3 LYS 16 lone 1 77 - 1 - HD2 LYS 43 - HE3 LYS 16 lone 1 97 - 1 - HD2 LYS 43 - HE2 LYS 16 lone 1 97 - 1 - HD2 LYS 44 - HE2 LYS 65 lone 1 70 - 1 - HD2 LYS 44 - HE3 LYS 65 lone 1 70 - 1 - HG3 LYS 123 - HE3 LYS 17 lone 1 63 - 1 - HD3 LYS 44 - HE2 LYS 65 lone 1 62 - 1 - HD3 LYS 44 - HE3 LYS 65 lone 1 62 - 1 - HD3 LYS 44 - HE2 LYS 16 lone 1 70 - 1 - HD3 LYS 44 - HE3 LYS 16 lone 1 70 - 1 - HG3 ARG 95 - HE2 LYS 16 lone 1 92 - 1 - HG3 ARG 95 - HE3 LYS 16 lone 1 92 - 1 - HG LEU 74 - HE2 LYS 16 lone 1 65 - 1 - HG LEU 74 - HE3 LYS 16 lone 1 65 - 1 - HB ILE 54 - HE2 LYS 65 lone 1 94 - 1 - HB ILE 54 - HE3 LYS 65 lone 1 94 - 1 - HD2 LYS 40 - HE3 LYS 65 lone 1 94 - 1 - HD2 LYS 40 - HE2 LYS 65 lone 1 94 - 1 - HD3 LYS 40 - HE3 LYS 65 lone 1 93 - 1 - HD3 LYS 40 - HE2 LYS 65 lone 1 93 - 1 - HD3 LYS 43 - HE3 LYS 94 lone 1 93 - 1 - HD2 LYS 43 - HE3 LYS 94 lone 0 88 - 1 - HB ILE 54 - HE2 LYS 16 lone 0 99 - 0 - HB ILE 54 - HE3 LYS 16 lone 0 99 - 0 - HB ILE 54 - HE3 LYS 94 lone 0 92 - 0 - HD3 LYS 96 - HE2 LYS 115 lone 0 100 - 0 - HD3 LYS 96 - HE3 LYS 115 lone 0 100 - 0 - HD2 LYS 96 - HE3 LYS 115 lone 0 99 - 0 - HD2 LYS 96 - HE2 LYS 115 lone 0 99 - 0 - HG12 ILE 71 - HE3 LYS 115 lone 0 95 - 0 - HG12 ILE 71 - HE2 LYS 115 lone 0 95 - 0 - HG12 ILE 71 - HE3 LYS 16 lone 0 96 - 0 - HG12 ILE 71 - HE2 LYS 16 lone 0 96 - 0 - HD3 LYS 96 - HE3 LYS 17 lone 0 82 - 0 - HD2 LYS 96 - HE3 LYS 17 lone 0 80 - 0 - HG3 LYS 39 - HE3 LYS 94 lone 0 73 - 1 - HD2 LYS 17 - HE3 LYS 65 lone 0 93 - 0 - HD2 LYS 17 - HE2 LYS 65 lone 0 93 - 0 - HD3 LYS 43 - HE3 LYS 17 lone 0 82 - 0 - HD2 LYS 44 - HE3 LYS 94 lone 0 67 - 1 - HB ILE 54 - HE2 LYS 115 lone 0 99 - 0 - HB ILE 54 - HE3 LYS 115 lone 0 99 - 0 - HD2 LYS 16 - HE3 LYS 94 lone 0 93 - 0 - HD3 LYS 16 - HE3 LYS 94 lone 0 92 - 0 - HD2 LYS 43 - HE3 LYS 17 lone 0 77 - 0 - HD2 LYS 40 - HE3 LYS 94 lone 0 92 - 0 - HD3 LYS 40 - HE3 LYS 94 lone 0 91 - 0 - HD3 LYS 20 - HE3 LYS 94 lone 0 93 - 0 - HB ILE 56 - HE3 LYS 16 lone 0 100 - 0 - HB ILE 56 - HE2 LYS 16 lone 0 100 - 0 - HG3 LYS 39 - HE3 LYS 115 lone 0 84 - 0 - HG3 LYS 39 - HE2 LYS 115 lone 0 84 - 0 - HD2 LYS 20 - HE3 LYS 94 lone 0 93 - 0 - HD3 LYS 44 - HE3 LYS 94 lone 0 60 - 1 - HG12 ILE 71 - HE3 LYS 65 lone 0 89 - 0 - HG12 ILE 71 - HE2 LYS 65 lone 0 89 - 0 - HD3 LYS 20 - HE2 LYS 65 lone 0 96 - 0 - HD3 LYS 20 - HE3 LYS 65 lone 0 96 - 0 - HD2 LYS 20 - HE3 LYS 65 lone 0 95 - 0 - HD2 LYS 20 - HE2 LYS 65 lone 0 95 - 0 - HG3 LYS 39 - HE3 LYS 65 lone 0 76 - 0 - HG3 LYS 39 - HE2 LYS 65 lone 0 76 - 0 - HD3 LYS 20 - HE2 LYS 115 lone 0 100 - 0 - HD3 LYS 20 - HE3 LYS 115 lone 0 100 - 0 - HD2 LYS 20 - HE2 LYS 115 lone 0 100 - 0 - HD2 LYS 20 - HE3 LYS 115 lone 0 100 - 0 - HD3 LYS 39 - HE3 LYS 16 lone 0 61 - 0 - HD3 LYS 39 - HE2 LYS 16 lone 0 61 - 0 - HD3 LYS 43 - HE3 LYS 65 lone 0 95 - 0 - HD3 LYS 43 - HE2 LYS 65 lone 0 95 - 0 - HD2 LYS 73 - HE3 LYS 17 lone 0 83 - 0 - HD3 LYS 73 - HE3 LYS 17 lone 0 82 - 0 - HG3 ARG 95 - HE3 LYS 94 lone 0 82 - 0 - HB ILE 56 - HE3 LYS 65 lone 0 95 - 0 - HB ILE 56 - HE2 LYS 65 lone 0 95 - 0 - HD2 LYS 43 - HE2 LYS 65 lone 0 90 - 0 - HD2 LYS 43 - HE3 LYS 65 lone 0 90 - 0 - HD2 LYS 73 - HE2 LYS 65 lone 0 96 - 0 - HD2 LYS 73 - HE3 LYS 65 lone 0 96 - 0 - HD3 LYS 73 - HE2 LYS 65 lone 0 95 - 0 - HD3 LYS 73 - HE3 LYS 65 lone 0 95 - 0 - HG3 ARG 95 - HE2 LYS 65 lone 0 84 - 0 - HG3 ARG 95 - HE3 LYS 65 lone 0 84 - 0 - HB ILE 56 - HE2 LYS 115 lone 0 100 - 0 - HB ILE 56 - HE3 LYS 115 lone 0 100 - 0 - HD3 LYS 43 - HE3 LYS 115 lone 0 100 - 0 - HD3 LYS 43 - HE2 LYS 115 lone 0 100 - 0 - HD2 LYS 73 - HE2 LYS 115 lone 0 100 - 0 - HD2 LYS 73 - HE3 LYS 115 lone 0 100 - 0 - HD3 LYS 73 - HE2 LYS 115 lone 0 100 - 0 - HD3 LYS 73 - HE3 LYS 115 lone 0 100 - 0 - HD2 LYS 73 - HE3 LYS 94 lone 0 93 - 0 - HD3 LYS 73 - HE3 LYS 94 lone 0 93 - 0 - HB ILE 54 - HE3 LYS 17 lone 0 81 - 0 - HG3 ARG 95 - HE3 LYS 115 lone 0 92 - 0 - HG3 ARG 95 - HE2 LYS 115 lone 0 92 - 0 - HD2 LYS 43 - HE2 LYS 115 lone 0 97 - 0 - HD2 LYS 43 - HE3 LYS 115 lone 0 97 - 0 - HD2 LYS 44 - HE2 LYS 115 lone 0 77 - 0 - HD2 LYS 44 - HE3 LYS 115 lone 0 77 - 0 - HD3 LYS 39 - HE3 LYS 94 lone 0 52 - 0 - HG12 ILE 71 - HE3 LYS 94 lone 0 86 - 0 - HD2 LYS 44 - HE3 LYS 17 lone 0 57 - 0 - HG3 LYS 39 - HE3 LYS 17 lone 0 63 - 0 - HD3 LYS 44 - HE3 LYS 115 lone 0 69 - 0 - HD3 LYS 44 - HE2 LYS 115 lone 0 69 - 0 - HD2 LYS 17 - HE3 LYS 94 lone 0 91 - 0 - HG LEU 74 - HE2 LYS 115 lone 0 65 - 0 - HG LEU 74 - HE3 LYS 115 lone 0 65 - 0 - HD3 LYS 44 - HE3 LYS 17 lone 0 51 - 0 - HD3 LYS 39 - HE2 LYS 65 lone 0 55 - 0 - HD3 LYS 39 - HE3 LYS 65 lone 0 55 - 0 - HG3 ARG 95 - HE3 LYS 17 lone 0 71 - 0 - HD3 LYS 39 - HE3 LYS 115 lone 0 61 - 0 - HD3 LYS 39 - HE2 LYS 115 lone 0 61 - 0 - HG LEU 74 - HE3 LYS 94 lone 0 56 - 0 - HG LEU 74 - HE2 LYS 65 lone 0 58 - 0 - HG LEU 74 - HE3 LYS 65 lone 0 58 - 0 - HG LEU 74 - HE3 LYS 17 lone 0 47 - 0 - HD3 LYS 39 - HE3 LYS 17 lone 0 44 - 0 - Peak 2797 from cnoeabs.peaks (1.69, 2.91, 41.78 ppm; 2.57 A): 5 out of 192 assignments used, quality = 1.00: HD3 LYS 16 + HE3 LYS 16 OK 78 100 - 78 - 3.0=63, 1.8/2779=5...(18) * HD3 LYS 16 + HE2 LYS 16 OK 78 100 - 78 - 3.0=63, 1.8/2779=5...(18) HD2 LYS 16 + HE2 LYS 16 OK 78 100 - 78 - 3.0=63, 2778/1.8=5...(18) HD2 LYS 16 + HE3 LYS 16 OK 78 100 - 78 - 3.0=63, 2778/1.8=5...(18) HD2 LYS 17 + HE3 LYS 17 OK 57 75 - 75 - 2.9=66, 2864/3.8=9...(7) HD2 LYS 40 - HE3 LYS 16 OK 19 97 - 20 - 2779=2, 2.9/6009=2...(7) HD2 LYS 40 - HE2 LYS 16 OK 19 97 - 20 - 2778=2, 2.9/6009=2...(7) HD3 LYS 40 - HE2 LYS 16 OK 19 96 - 20 - 2778=2, 2.9/6009=2...(7) HD3 LYS 40 - HE3 LYS 16 OK 19 96 - 20 - 2779=2, 2.9/6009=2...(7) HB ILE 56 - HE3 LYS 94 lone 7 93 - 8 - ~9551=2, 10948/3.0=2 HD3 LYS 96 - HE2 LYS 65 lone 5 92 - 5 - HD3 LYS 96 - HE3 LYS 65 lone 5 92 - 5 - HD2 LYS 96 - HE2 LYS 65 lone 5 89 - 5 - HD2 LYS 96 - HE3 LYS 65 lone 5 89 - 5 - HB ILE 56 - HE3 LYS 17 lone 4 83 - 4 - HD2 LYS 17 - HE3 LYS 16 lone 3 96 - 3 - HD2 LYS 17 - HE2 LYS 16 lone 3 96 - 3 - HD2 LYS 16 - HE3 LYS 115 lone 2 100 - 2 - HD2 LYS 16 - HE2 LYS 115 lone 2 100 - 2 - HD3 LYS 16 - HE2 LYS 115 lone 2 100 - 2 - HD3 LYS 16 - HE3 LYS 115 lone 2 100 - 2 - HD2 LYS 20 - HE2 LYS 16 lone 2 100 - 2 - HD2 LYS 20 - HE3 LYS 16 lone 2 100 - 2 - HD3 LYS 20 - HE3 LYS 16 lone 2 100 - 2 - HD3 LYS 20 - HE2 LYS 16 lone 2 100 - 2 - HD3 LYS 16 - HE3 LYS 17 lone 2 83 - 2 - HD2 LYS 16 - HE3 LYS 17 lone 2 82 - 2 - HD2 LYS 16 - HE3 LYS 65 lone 2 95 - 2 - HD2 LYS 16 - HE2 LYS 65 lone 2 95 - 2 - HD3 LYS 16 - HE3 LYS 65 lone 2 96 - 2 - HD3 LYS 16 - HE2 LYS 65 lone 2 96 - 2 - HD2 LYS 73 - HE2 LYS 16 lone 1 99 - 1 - HD2 LYS 73 - HE3 LYS 16 lone 1 99 - 1 - HD3 LYS 73 - HE2 LYS 16 lone 1 99 - 1 - HD3 LYS 73 - HE3 LYS 16 lone 1 99 - 1 - HG3 LYS 123 - HE2 LYS 16 lone 1 92 - 1 - HG3 LYS 123 - HE3 LYS 16 lone 1 92 - 1 - HD3 LYS 96 - HE3 LYS 16 lone 1 98 - 1 - HD3 LYS 96 - HE2 LYS 16 lone 1 98 - 1 - HG3 LYS 123 - HE3 LYS 115 lone 1 92 - 1 - HG3 LYS 123 - HE2 LYS 115 lone 1 92 - 1 - HD2 LYS 96 - HE2 LYS 16 lone 1 96 - 1 - HD2 LYS 96 - HE3 LYS 16 lone 1 96 - 1 - HG12 ILE 71 - HE3 LYS 17 lone 1 80 - 2 - HG3 LYS 39 - HE2 LYS 16 lone 1 92 - 1 - HG3 LYS 39 - HE3 LYS 16 lone 1 92 - 1 - HD2 LYS 17 - HE3 LYS 115 lone 1 95 - 1 - HD2 LYS 17 - HE2 LYS 115 lone 1 95 - 1 - HG3 LYS 123 - HE3 LYS 65 lone 1 84 - 1 - HG3 LYS 123 - HE2 LYS 65 lone 1 84 - 1 - HD2 LYS 20 - HE3 LYS 17 lone 1 83 - 1 - HD3 LYS 20 - HE3 LYS 17 lone 1 82 - 1 - HD2 LYS 40 - HE3 LYS 17 lone 1 77 - 1 - HG3 LYS 123 - HE3 LYS 94 lone 1 82 - 1 - HD3 LYS 40 - HE3 LYS 17 lone 1 75 - 1 - HD3 LYS 96 - HE3 LYS 94 lone 1 89 - 1 - HD2 LYS 96 - HE3 LYS 94 lone 1 86 - 1 - HG3 LYS 123 - HE3 LYS 17 lone 1 71 - 1 - HD2 LYS 40 - HE3 LYS 115 lone 1 97 - 1 - HD2 LYS 40 - HE2 LYS 115 lone 1 97 - 1 - HD2 LYS 44 - HE2 LYS 16 lone 1 87 - 1 - HD2 LYS 44 - HE3 LYS 16 lone 1 87 - 1 - HD2 LYS 44 - HE3 LYS 65 lone 1 79 - 1 - HD2 LYS 44 - HE2 LYS 65 lone 1 79 - 1 - HD3 LYS 40 - HE2 LYS 115 lone 1 95 - 1 - HD3 LYS 40 - HE3 LYS 115 lone 1 95 - 1 - HD3 LYS 44 - HE2 LYS 65 lone 1 73 - 1 - HD3 LYS 44 - HE3 LYS 65 lone 1 73 - 1 - HD3 LYS 44 - HE3 LYS 16 lone 1 81 - 1 - HD3 LYS 44 - HE2 LYS 16 lone 1 81 - 1 - HD3 LYS 43 - HE2 LYS 16 lone 1 99 - 1 - HD3 LYS 43 - HE3 LYS 16 lone 1 99 - 1 - HG LEU 74 - HE3 LYS 16 lone 1 77 - 1 - HG LEU 74 - HE2 LYS 16 lone 1 77 - 1 - HD2 LYS 43 - HE2 LYS 16 lone 1 92 - 1 - HD2 LYS 43 - HE3 LYS 16 lone 1 92 - 1 - HG12 ILE 71 - HE2 LYS 65 lone 1 93 - 1 - HG12 ILE 71 - HE3 LYS 65 lone 1 93 - 1 - HB ILE 54 - HE2 LYS 65 lone 1 90 - 1 - HB ILE 54 - HE3 LYS 65 lone 1 90 - 1 - HG3 ARG 95 - HE2 LYS 16 lone 1 84 - 1 - HG3 ARG 95 - HE3 LYS 16 lone 1 84 - 1 - HD2 LYS 40 - HE3 LYS 65 lone 1 90 - 1 - HD2 LYS 40 - HE2 LYS 65 lone 1 90 - 1 - HD3 LYS 40 - HE3 LYS 65 lone 1 89 - 1 - HD3 LYS 40 - HE2 LYS 65 lone 1 89 - 1 - HG12 ILE 71 - HE2 LYS 115 lone 0 99 - 0 - HG12 ILE 71 - HE3 LYS 115 lone 0 99 - 0 - HD3 LYS 43 - HE3 LYS 94 lone 0 91 - 1 - HB ILE 54 - HE3 LYS 16 lone 0 97 - 0 - HB ILE 54 - HE2 LYS 16 lone 0 97 - 0 - HD2 LYS 43 - HE3 LYS 94 lone 0 82 - 1 - HB ILE 54 - HE3 LYS 94 lone 0 88 - 0 - HG3 LYS 39 - HE3 LYS 94 lone 0 82 - 1 - HD2 LYS 44 - HE3 LYS 94 lone 0 76 - 1 - HD3 LYS 96 - HE3 LYS 115 lone 0 98 - 0 - HD3 LYS 96 - HE2 LYS 115 lone 0 98 - 0 - HD2 LYS 96 - HE3 LYS 115 lone 0 95 - 0 - HD2 LYS 96 - HE2 LYS 115 lone 0 95 - 0 - HG12 ILE 71 - HE3 LYS 16 lone 0 99 - 0 - HG12 ILE 71 - HE2 LYS 16 lone 0 99 - 0 - HD3 LYS 44 - HE3 LYS 94 lone 0 70 - 1 - HD3 LYS 96 - HE3 LYS 17 lone 0 78 - 0 - HD3 LYS 39 - HE3 LYS 16 lone 0 73 - 0 - HD3 LYS 39 - HE2 LYS 16 lone 0 73 - 0 - HG3 LYS 39 - HE3 LYS 115 lone 0 92 - 0 - HG3 LYS 39 - HE2 LYS 115 lone 0 92 - 0 - HD2 LYS 96 - HE3 LYS 17 lone 0 75 - 0 - HD3 LYS 16 - HE3 LYS 94 lone 0 93 - 0 - HD3 LYS 43 - HE3 LYS 17 lone 0 80 - 0 - HD2 LYS 16 - HE3 LYS 94 lone 0 92 - 0 - HG3 LYS 39 - HE2 LYS 65 lone 0 84 - 0 - HG3 LYS 39 - HE3 LYS 65 lone 0 84 - 0 - HB ILE 54 - HE2 LYS 115 lone 0 97 - 0 - HB ILE 54 - HE3 LYS 115 lone 0 97 - 0 - HD2 LYS 17 - HE2 LYS 65 lone 0 89 - 0 - HD2 LYS 17 - HE3 LYS 65 lone 0 89 - 0 - HD2 LYS 39 - HE2 LYS 16 lone 0 70 - 0 - HD2 LYS 39 - HE3 LYS 16 lone 0 70 - 0 - HD2 LYS 20 - HE3 LYS 94 lone 0 93 - 0 - HD3 LYS 20 - HE3 LYS 94 lone 0 93 - 0 - HB ILE 56 - HE3 LYS 16 lone 0 100 - 0 - HB ILE 56 - HE2 LYS 16 lone 0 100 - 0 - HD2 LYS 40 - HE3 LYS 94 lone 0 88 - 0 - HD3 LYS 40 - HE3 LYS 94 lone 0 86 - 0 - HD2 LYS 20 - HE2 LYS 65 lone 0 96 - 0 - HD2 LYS 20 - HE3 LYS 65 lone 0 96 - 0 - HD2 LYS 43 - HE3 LYS 17 lone 0 71 - 0 - HD3 LYS 20 - HE2 LYS 65 lone 0 95 - 0 - HD3 LYS 20 - HE3 LYS 65 lone 0 95 - 0 - HD2 LYS 20 - HE2 LYS 115 lone 0 100 - 0 - HD2 LYS 20 - HE3 LYS 115 lone 0 100 - 0 - HD3 LYS 20 - HE3 LYS 115 lone 0 100 - 0 - HD3 LYS 20 - HE2 LYS 115 lone 0 100 - 0 - HD3 LYS 43 - HE2 LYS 65 lone 0 93 - 0 - HD3 LYS 43 - HE3 LYS 65 lone 0 93 - 0 - HD2 LYS 73 - HE3 LYS 17 lone 0 81 - 0 - HB ILE 56 - HE2 LYS 65 lone 0 96 - 0 - HB ILE 56 - HE3 LYS 65 lone 0 96 - 0 - HD3 LYS 73 - HE3 LYS 17 lone 0 80 - 0 - HD3 LYS 39 - HE3 LYS 94 lone 0 63 - 0 - HD2 LYS 73 - HE2 LYS 65 lone 0 94 - 0 - HD2 LYS 73 - HE3 LYS 65 lone 0 94 - 0 - HD3 LYS 73 - HE3 LYS 65 lone 0 93 - 0 - HD3 LYS 73 - HE2 LYS 65 lone 0 93 - 0 - HD2 LYS 39 - HE3 LYS 94 lone 0 60 - 0 - HD2 LYS 44 - HE3 LYS 115 lone 0 87 - 0 - HD2 LYS 44 - HE2 LYS 115 lone 0 87 - 0 - HD2 LYS 43 - HE3 LYS 65 lone 0 84 - 0 - HD2 LYS 43 - HE2 LYS 65 lone 0 84 - 0 - HB ILE 56 - HE3 LYS 115 lone 0 100 - 0 - HB ILE 56 - HE2 LYS 115 lone 0 100 - 0 - HG3 ARG 95 - HE3 LYS 94 lone 0 73 - 0 - HD2 LYS 44 - HE3 LYS 17 lone 0 66 - 0 - HG3 LYS 39 - HE3 LYS 17 lone 0 71 - 0 - HG LEU 74 - HE2 LYS 115 lone 0 77 - 0 - HG LEU 74 - HE3 LYS 115 lone 0 77 - 0 - HD3 LYS 44 - HE2 LYS 115 lone 0 80 - 0 - HD3 LYS 44 - HE3 LYS 115 lone 0 80 - 0 - HD3 LYS 43 - HE3 LYS 115 lone 0 99 - 0 - HD3 LYS 43 - HE2 LYS 115 lone 0 99 - 0 - HD2 LYS 73 - HE2 LYS 115 lone 0 99 - 0 - HD2 LYS 73 - HE3 LYS 115 lone 0 99 - 0 - HD3 LYS 73 - HE3 LYS 115 lone 0 99 - 0 - HD3 LYS 73 - HE2 LYS 115 lone 0 99 - 0 - HG12 ILE 71 - HE3 LYS 94 lone 0 91 - 0 - HD2 LYS 73 - HE3 LYS 94 lone 0 92 - 0 - HG3 ARG 95 - HE2 LYS 65 lone 0 76 - 0 - HG3 ARG 95 - HE3 LYS 65 lone 0 76 - 0 - HD3 LYS 73 - HE3 LYS 94 lone 0 91 - 0 - HD3 LYS 44 - HE3 LYS 17 lone 0 60 - 0 - HB ILE 54 - HE3 LYS 17 lone 0 77 - 0 - HD2 LYS 43 - HE3 LYS 115 lone 0 92 - 0 - HD2 LYS 43 - HE2 LYS 115 lone 0 92 - 0 - HG3 ARG 95 - HE3 LYS 115 lone 0 84 - 0 - HG3 ARG 95 - HE2 LYS 115 lone 0 84 - 0 - HD3 LYS 39 - HE3 LYS 65 lone 0 66 - 0 - HD3 LYS 39 - HE2 LYS 65 lone 0 66 - 0 - HD3 LYS 39 - HE2 LYS 115 lone 0 73 - 0 - HD3 LYS 39 - HE3 LYS 115 lone 0 73 - 0 - HD2 LYS 17 - HE3 LYS 94 lone 0 86 - 0 - HD2 LYS 39 - HE2 LYS 65 lone 0 62 - 0 - HD2 LYS 39 - HE3 LYS 65 lone 0 62 - 0 - HD2 LYS 39 - HE3 LYS 115 lone 0 69 - 0 - HD2 LYS 39 - HE2 LYS 115 lone 0 69 - 0 - HG LEU 74 - HE3 LYS 94 lone 0 67 - 0 - HG LEU 74 - HE2 LYS 65 lone 0 70 - 0 - HG LEU 74 - HE3 LYS 65 lone 0 70 - 0 - HG3 ARG 95 - HE3 LYS 17 lone 0 63 - 0 - HD3 LYS 39 - HE3 LYS 17 lone 0 54 - 0 - HG LEU 74 - HE3 LYS 17 lone 0 57 - 0 - HD2 LYS 39 - HE3 LYS 17 lone 0 51 - 0 - Peak 2798 from cnoeabs.peaks (2.91, 2.91, 41.78 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HE3 LYS 16 + HE3 LYS 16 OK 100 100 - 100 * HE2 LYS 16 + HE2 LYS 16 OK 100 100 - 100 HE2 LYS 115 + HE2 LYS 115 OK 100 100 - 100 HE3 LYS 115 + HE3 LYS 115 OK 100 100 - 100 HE3 LYS 65 + HE3 LYS 65 OK 92 92 - 100 HE2 LYS 65 + HE2 LYS 65 OK 92 92 - 100 HE3 LYS 94 + HE3 LYS 94 OK 88 88 - 100 HE3 LYS 17 + HE3 LYS 17 OK 71 71 - 100 Peak 2799 from cnoeabs.peaks (2.91, 2.91, 41.78 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HE3 LYS 16 + HE3 LYS 16 OK 100 100 - 100 HE2 LYS 16 + HE2 LYS 16 OK 100 100 - 100 HE2 LYS 115 + HE2 LYS 115 OK 100 100 - 100 HE3 LYS 115 + HE3 LYS 115 OK 100 100 - 100 HE3 LYS 65 + HE3 LYS 65 OK 92 92 - 100 HE2 LYS 65 + HE2 LYS 65 OK 92 92 - 100 HE3 LYS 94 + HE3 LYS 94 OK 88 88 - 100 HE3 LYS 17 + HE3 LYS 17 OK 71 71 - 100 Reference assignment not found: HE3 LYS 16 - HE2 LYS 16 Peak 2801 from cnoeabs.peaks (3.84, 2.91, 41.78 ppm; 6.20 A): 2 out of 24 assignments used, quality = 1.00: * HA LYS 16 + HE3 LYS 16 OK 99 100 - 99 - 6.6=83, 2761/3.7=42...(34) HA LYS 16 + HE2 LYS 16 OK 99 100 - 99 - 6.6=83, 2761/3.7=42...(34) HA LYS 39 - HE2 LYS 16 OK 15 100 - 14 - 2761/3.7=3, 2771/3.0=2 HA LYS 39 - HE3 LYS 16 OK 15 100 - 14 - 2761/3.7=3, 2771/3.0=2 HA LYS 16 - HE3 LYS 17 OK 12 83 - 15 - 2726/2.9=2, ~459=2...(5) HA2 GLY 75 - HE3 LYS 16 OK 12 97 - 12 - 2761/3.7=3, ~466=3...(4) HA2 GLY 75 - HE2 LYS 16 OK 12 97 - 12 - 2761/3.7=3, ~466=3...(4) HA LYS 16 - HE3 LYS 115 lone 10 100 - 10 - HA LYS 16 - HE2 LYS 115 lone 10 100 - 10 - HA LYS 16 - HE2 LYS 65 lone 7 96 - 7 - HA LYS 16 - HE3 LYS 65 lone 7 96 - 7 - HA LYS 39 - HE2 LYS 115 lone 4 100 - 4 - HA LYS 39 - HE3 LYS 115 lone 4 100 - 4 - HA LYS 39 - HE3 LYS 94 lone 4 93 - 4 - HA LYS 39 - HE2 LYS 65 lone 3 95 - 4 - HA LYS 39 - HE3 LYS 65 lone 3 95 - 4 - HA LYS 39 - HE3 LYS 17 lone 3 82 - 4 - HA2 GLY 75 - HE3 LYS 115 lone 2 97 - 2 - HA2 GLY 75 - HE2 LYS 115 lone 2 97 - 2 - HA LYS 16 - HE3 LYS 94 lone 2 93 - 2 - HA2 GLY 75 - HE3 LYS 65 lone 2 90 - 2 - HA2 GLY 75 - HE2 LYS 65 lone 2 90 - 2 - HA2 GLY 75 - HE3 LYS 17 lone 2 77 - 2 - HA2 GLY 75 - HE3 LYS 94 lone 2 88 - 2 - Peak 2802 from cnoeabs.peaks (1.88, 2.91, 41.78 ppm; 3.56 A): 4 out of 128 assignments used, quality = 1.00: * HB2 LYS 16 + HE3 LYS 16 OK 85 100 - 85 - 5.1=35, 3.0/2804=10...(43) HB2 LYS 16 + HE2 LYS 16 OK 85 100 - 85 - 5.1=35, 3.0/2804=10...(43) HB3 LYS 16 + HE3 LYS 16 OK 85 100 - 85 - 5.1=35, 3.0/2794=10...(43) HB3 LYS 16 + HE2 LYS 16 OK 85 100 - 85 - 5.1=35, 3.0/2794=10...(43) HB2 LYS 16 - HE3 LYS 17 lone 8 83 - 9 - 84/7.2=2, 7998/6.5=1 HB3 LYS 16 - HE3 LYS 17 lone 8 83 - 9 - 84/7.2=2, 7998/6.5=1 QE MET 67 - HE3 LYS 65 lone 7 96 - 7 - 9722/3.0=2, 9722/3.0=2 QE MET 67 - HE2 LYS 65 lone 7 96 - 7 - 9722/3.0=2, 9722/3.0=2 QE MET 42 - HE3 LYS 94 lone 7 70 - 10 - 9428/3.0=4, 9428/3.0=4 HB2 LYS 16 - HE3 LYS 115 lone 7 100 - 7 - HB2 LYS 16 - HE2 LYS 115 lone 7 100 - 7 - HB3 LYS 16 - HE3 LYS 115 lone 7 100 - 7 - HB3 LYS 16 - HE2 LYS 115 lone 7 100 - 7 - HB3 LYS 20 - HE2 LYS 16 lone 6 92 - 6 - HB3 LYS 20 - HE3 LYS 16 lone 6 92 - 6 - HB2 LYS 20 - HE2 LYS 16 lone 6 92 - 6 - HB2 LYS 20 - HE3 LYS 16 lone 6 92 - 6 - HB3 ARG 118 - HE3 LYS 115 lone 6 94 - 6 - 8264/6.2=6 HB3 ARG 118 - HE2 LYS 115 lone 6 94 - 6 - 8264/6.2=6 HB2 LYS 16 - HE2 LYS 65 lone 4 96 - 4 - HB2 LYS 16 - HE3 LYS 65 lone 4 96 - 4 - HB3 LYS 16 - HE2 LYS 65 lone 4 96 - 4 - HB3 LYS 16 - HE3 LYS 65 lone 4 96 - 4 - HB2 LYS 73 - HE2 LYS 16 lone 4 77 - 5 - HB2 LYS 73 - HE3 LYS 16 lone 4 77 - 5 - HB3 LYS 73 - HE3 LYS 16 lone 4 81 - 5 - HB3 LYS 73 - HE2 LYS 16 lone 4 81 - 5 - HB3 LYS 20 - HE3 LYS 17 lone 4 71 - 6 - 7998/6.5=2 HB2 LYS 20 - HE3 LYS 17 lone 4 71 - 6 - 7998/6.5=2 QE MET 67 - HE2 LYS 115 lone 3 100 - 3 - 9722/3.0=1, 9722/3.0=1 QE MET 67 - HE3 LYS 115 lone 3 100 - 3 - 9722/3.0=1, 9722/3.0=1 HB3 ARG 118 - HE2 LYS 65 lone 3 87 - 4 - 8265/6.7=2 HB3 ARG 118 - HE3 LYS 65 lone 3 87 - 4 - 8265/6.7=2 HB2 LYS 49 - HE2 LYS 115 lone 3 61 - 4 - HB2 LYS 49 - HE3 LYS 115 lone 3 61 - 4 - HG2 ARG 95 - HE3 LYS 94 lone 2 92 - 3 - 10097/6.9=2 HG LEU 45 - HE3 LYS 17 lone 2 82 - 2 - HB ILE 71 - HE3 LYS 17 lone 2 54 - 3 - HB2 LYS 49 - HE2 LYS 65 lone 2 55 - 3 - HB2 LYS 49 - HE3 LYS 65 lone 2 55 - 3 - QE MET 67 - HE3 LYS 17 lone 1 83 - 2 - QE MET 42 - HE3 LYS 16 lone 1 81 - 1 - QE MET 42 - HE2 LYS 16 lone 1 81 - 1 - HG2 ARG 95 - HE2 LYS 16 lone 1 99 - 1 - HG2 ARG 95 - HE3 LYS 16 lone 1 99 - 1 - HG LEU 45 - HE3 LYS 94 lone 1 93 - 1 - QE MET 67 - HE3 LYS 94 lone 1 93 - 1 - QE MET 42 - HE2 LYS 115 lone 1 80 - 1 - QE MET 42 - HE3 LYS 115 lone 1 80 - 1 - HB2 LEU 63 - HE3 LYS 65 lone 1 87 - 1 - HB2 LEU 63 - HE2 LYS 65 lone 1 87 - 1 - HB2 LEU 63 - HE2 LYS 115 lone 1 94 - 1 - HB2 LEU 63 - HE3 LYS 115 lone 1 94 - 1 - HB2 LYS 16 - HE3 LYS 94 lone 1 93 - 1 - HB2 ARG 95 - HE3 LYS 16 lone 1 70 - 1 - HB2 ARG 95 - HE2 LYS 16 lone 1 70 - 1 - HB3 LYS 16 - HE3 LYS 94 lone 1 93 - 1 - QE MET 42 - HE3 LYS 65 lone 1 73 - 1 - QE MET 42 - HE2 LYS 65 lone 1 73 - 1 - HB3 LYS 20 - HE3 LYS 94 lone 1 82 - 1 - HB2 LYS 20 - HE3 LYS 94 lone 1 82 - 1 - HB ILE 71 - HE3 LYS 65 lone 1 66 - 1 - HB ILE 71 - HE2 LYS 65 lone 1 66 - 1 - HB2 LEU 63 - HE2 LYS 16 lone 1 94 - 1 - HB2 LEU 63 - HE3 LYS 16 lone 1 94 - 1 - HB3 LYS 20 - HE3 LYS 115 lone 1 92 - 1 - HB2 LYS 20 - HE3 LYS 115 lone 1 92 - 1 - HB2 LYS 20 - HE2 LYS 115 lone 1 92 - 1 - HB3 LYS 20 - HE2 LYS 115 lone 1 92 - 1 - HB ILE 7 - HE3 LYS 17 lone 1 66 - 1 - HB3 LYS 73 - HE3 LYS 17 lone 1 60 - 1 - HB ILE 71 - HE2 LYS 16 lone 1 73 - 1 - HB ILE 71 - HE3 LYS 16 lone 1 73 - 1 - HB ILE 71 - HE2 LYS 115 lone 1 73 - 1 - HB ILE 71 - HE3 LYS 115 lone 1 73 - 1 - HB2 LYS 73 - HE3 LYS 17 lone 1 57 - 1 - HB3 LYS 20 - HE3 LYS 65 lone 1 84 - 1 - HB3 LYS 20 - HE2 LYS 65 lone 1 84 - 1 - HB2 LYS 20 - HE2 LYS 65 lone 1 84 - 1 - HB2 LYS 20 - HE3 LYS 65 lone 1 84 - 1 - HG LEU 45 - HE3 LYS 16 lone 1 100 - 1 - HG LEU 45 - HE2 LYS 16 lone 1 100 - 1 - HG2 ARG 95 - HE2 LYS 65 lone 1 94 - 1 - HG2 ARG 95 - HE3 LYS 65 lone 1 94 - 1 - QE MET 67 - HE2 LYS 16 lone 1 100 - 1 - QE MET 67 - HE3 LYS 16 lone 1 100 - 1 - HG2 ARG 95 - HE2 LYS 115 lone 1 99 - 1 - HG2 ARG 95 - HE3 LYS 115 lone 1 99 - 1 - HB2 LEU 63 - HE3 LYS 94 lone 1 84 - 1 - HB3 ARG 118 - HE3 LYS 94 lone 0 84 - 1 - HB ILE 71 - HE3 LYS 94 lone 1 63 - 1 - HB3 ARG 118 - HE2 LYS 16 lone 0 94 - 0 - HB3 ARG 118 - HE3 LYS 16 lone 0 94 - 0 - HB2 LYS 73 - HE3 LYS 115 lone 0 77 - 1 - HB2 LYS 73 - HE2 LYS 115 lone 0 77 - 1 - HB3 LYS 73 - HE3 LYS 115 lone 0 80 - 1 - HB3 LYS 73 - HE2 LYS 115 lone 0 80 - 1 - HG LEU 45 - HE2 LYS 115 lone 0 100 - 0 - HG LEU 45 - HE3 LYS 115 lone 0 100 - 0 - HB2 LYS 73 - HE3 LYS 65 lone 0 70 - 1 - HB2 LYS 73 - HE2 LYS 65 lone 0 70 - 1 - HB3 LYS 73 - HE2 LYS 65 lone 0 73 - 1 - HB3 LYS 73 - HE3 LYS 65 lone 0 73 - 1 - HB2 LEU 63 - HE3 LYS 17 lone 0 73 - 1 - HG LEU 45 - HE3 LYS 65 lone 0 95 - 0 - HG LEU 45 - HE2 LYS 65 lone 0 95 - 0 - HB ILE 7 - HE3 LYS 16 lone 0 87 - 0 - HB ILE 7 - HE2 LYS 16 lone 0 87 - 0 - QE MET 42 - HE3 LYS 17 lone 0 60 - 1 - HB2 LYS 49 - HE3 LYS 94 lone 0 52 - 1 - HB3 LYS 73 - HE3 LYS 94 lone 0 70 - 1 - HG2 ARG 95 - HE3 LYS 17 lone 0 81 - 0 - HB ILE 7 - HE2 LYS 115 lone 0 87 - 0 - HB ILE 7 - HE3 LYS 115 lone 0 87 - 0 - HB2 LYS 73 - HE3 LYS 94 lone 0 67 - 1 - HB ILE 7 - HE3 LYS 94 lone 0 76 - 0 - HB2 ARG 95 - HE3 LYS 115 lone 0 69 - 0 - HB2 ARG 95 - HE2 LYS 115 lone 0 69 - 0 - HB3 ARG 118 - HE3 LYS 17 lone 0 73 - 0 - HB2 LYS 49 - HE3 LYS 16 lone 0 61 - 0 - HB2 LYS 49 - HE2 LYS 16 lone 0 61 - 0 - HB ILE 7 - HE2 LYS 65 lone 0 79 - 0 - HB ILE 7 - HE3 LYS 65 lone 0 79 - 0 - HB2 ARG 95 - HE3 LYS 65 lone 0 62 - 0 - HB2 ARG 95 - HE2 LYS 65 lone 0 62 - 0 - HB2 ARG 95 - HE3 LYS 94 lone 0 60 - 0 - HB2 ARG 95 - HE3 LYS 17 lone 0 51 - 0 - HB2 LYS 49 - HE3 LYS 17 lone 0 44 - 1 - Peak 2803 from cnoeabs.peaks (1.88, 2.91, 41.78 ppm; 3.56 A): 4 out of 128 assignments used, quality = 1.00: HB2 LYS 16 + HE3 LYS 16 OK 85 100 - 85 - 5.1=35, 3.0/2804=10...(43) HB2 LYS 16 + HE2 LYS 16 OK 85 100 - 85 - 5.1=35, 3.0/2804=10...(43) * HB3 LYS 16 + HE3 LYS 16 OK 85 100 - 85 - 5.1=35, 3.0/2794=10...(43) HB3 LYS 16 + HE2 LYS 16 OK 85 100 - 85 - 5.1=35, 3.0/2794=10...(43) HB2 LYS 16 - HE3 LYS 17 lone 8 83 - 9 - 84/7.2=2, 7998/6.5=1 HB3 LYS 16 - HE3 LYS 17 lone 8 83 - 9 - 84/7.2=2, 7998/6.5=2 QE MET 67 - HE3 LYS 65 lone 7 96 - 7 - 9722/3.0=2, 9722/3.0=2 QE MET 67 - HE2 LYS 65 lone 7 96 - 7 - 9722/3.0=2, 9722/3.0=2 HB2 LYS 16 - HE2 LYS 115 lone 7 100 - 7 - HB2 LYS 16 - HE3 LYS 115 lone 7 100 - 7 - HB3 LYS 16 - HE3 LYS 115 lone 7 100 - 7 - HB3 LYS 16 - HE2 LYS 115 lone 7 100 - 7 - QE MET 42 - HE3 LYS 94 lone 6 67 - 9 - 9428/3.0=3, 9428/3.0=3 HB3 LYS 20 - HE3 LYS 16 lone 6 94 - 6 - HB2 LYS 20 - HE2 LYS 16 lone 6 94 - 6 - HB2 LYS 20 - HE3 LYS 16 lone 6 94 - 6 - HB3 LYS 20 - HE2 LYS 16 lone 6 94 - 6 - HB3 ARG 118 - HE3 LYS 115 lone 5 92 - 6 - 8264/6.2=5 HB3 ARG 118 - HE2 LYS 115 lone 5 92 - 6 - 8264/6.2=5 HB2 LYS 73 - HE2 LYS 16 lone 4 81 - 5 - HB2 LYS 73 - HE3 LYS 16 lone 4 81 - 5 - HB3 LYS 73 - HE3 LYS 16 lone 4 84 - 5 - HB3 LYS 73 - HE2 LYS 16 lone 4 84 - 5 - HB3 LYS 16 - HE2 LYS 65 lone 4 96 - 4 - HB3 LYS 16 - HE3 LYS 65 lone 4 96 - 4 - HB2 LYS 16 - HE2 LYS 65 lone 4 96 - 4 - HB2 LYS 16 - HE3 LYS 65 lone 4 96 - 4 - HB3 LYS 20 - HE3 LYS 17 lone 4 73 - 6 - 7996/6.5=2 HB2 LYS 20 - HE3 LYS 17 lone 4 73 - 6 - 7996/6.5=2 QE MET 67 - HE3 LYS 115 lone 3 100 - 3 - 9722/3.0=1, 9722/3.0=1 QE MET 67 - HE2 LYS 115 lone 3 100 - 3 - 9722/3.0=1, 9722/3.0=1 HB2 LYS 49 - HE3 LYS 115 lone 3 65 - 5 - HB2 LYS 49 - HE2 LYS 115 lone 3 65 - 5 - HB3 ARG 118 - HE3 LYS 65 lone 3 84 - 3 - 8265/6.7=2 HB3 ARG 118 - HE2 LYS 65 lone 3 84 - 3 - 8265/6.7=2 HG2 ARG 95 - HE3 LYS 94 lone 2 91 - 3 - 10097/6.9=2 HG LEU 45 - HE3 LYS 17 lone 2 83 - 2 - HB ILE 71 - HE3 LYS 17 lone 2 57 - 3 - HB2 LYS 49 - HE2 LYS 65 lone 2 58 - 3 - HB2 LYS 49 - HE3 LYS 65 lone 2 58 - 3 - QE MET 67 - HE3 LYS 17 lone 1 83 - 2 - HG2 ARG 95 - HE3 LYS 16 lone 1 99 - 1 - HG2 ARG 95 - HE2 LYS 16 lone 1 99 - 1 - HG LEU 45 - HE3 LYS 94 lone 1 93 - 1 - QE MET 42 - HE3 LYS 16 lone 1 77 - 1 - QE MET 42 - HE2 LYS 16 lone 1 77 - 1 - QE MET 67 - HE3 LYS 94 lone 1 93 - 1 - HB2 ARG 95 - HE2 LYS 16 lone 1 73 - 1 - HB2 ARG 95 - HE3 LYS 16 lone 1 73 - 1 - HB2 LYS 20 - HE3 LYS 94 lone 1 84 - 1 - HB3 LYS 20 - HE3 LYS 94 lone 1 84 - 1 - HB2 LEU 63 - HE3 LYS 65 lone 1 84 - 1 - HB2 LEU 63 - HE2 LYS 65 lone 1 84 - 1 - HB2 LYS 16 - HE3 LYS 94 lone 1 93 - 1 - HB2 LEU 63 - HE2 LYS 115 lone 1 92 - 1 - HB2 LEU 63 - HE3 LYS 115 lone 1 92 - 1 - HB ILE 71 - HE2 LYS 65 lone 1 70 - 1 - HB ILE 71 - HE3 LYS 65 lone 1 70 - 1 - HB3 LYS 16 - HE3 LYS 94 lone 1 93 - 1 - QE MET 42 - HE3 LYS 115 lone 1 77 - 1 - QE MET 42 - HE2 LYS 115 lone 1 77 - 1 - QE MET 42 - HE3 LYS 65 lone 1 70 - 1 - QE MET 42 - HE2 LYS 65 lone 1 70 - 1 - HB2 LYS 20 - HE2 LYS 115 lone 1 94 - 1 - HB3 LYS 20 - HE2 LYS 115 lone 1 94 - 1 - HB2 LYS 20 - HE3 LYS 115 lone 1 94 - 1 - HB3 LYS 20 - HE3 LYS 115 lone 1 94 - 1 - HB2 LEU 63 - HE3 LYS 16 lone 1 92 - 1 - HB2 LEU 63 - HE2 LYS 16 lone 1 92 - 1 - HB ILE 7 - HE3 LYS 17 lone 1 68 - 1 - HB3 LYS 73 - HE3 LYS 17 lone 1 63 - 1 - HB ILE 71 - HE3 LYS 16 lone 1 77 - 1 - HB ILE 71 - HE2 LYS 16 lone 1 77 - 1 - HB ILE 71 - HE2 LYS 115 lone 1 77 - 1 - HB ILE 71 - HE3 LYS 115 lone 1 77 - 1 - HB2 LYS 73 - HE3 LYS 17 lone 1 60 - 1 - HB3 LYS 20 - HE3 LYS 65 lone 1 87 - 1 - HB2 LYS 20 - HE3 LYS 65 lone 1 87 - 1 - HB3 LYS 20 - HE2 LYS 65 lone 1 87 - 1 - HB2 LYS 20 - HE2 LYS 65 lone 1 87 - 1 - HG LEU 45 - HE3 LYS 16 lone 1 100 - 1 - HG LEU 45 - HE2 LYS 16 lone 1 100 - 1 - HG2 ARG 95 - HE3 LYS 65 lone 1 93 - 1 - HG2 ARG 95 - HE2 LYS 65 lone 1 93 - 1 - HB ILE 71 - HE3 LYS 94 lone 1 67 - 1 - QE MET 67 - HE3 LYS 16 lone 1 100 - 1 - QE MET 67 - HE2 LYS 16 lone 1 100 - 1 - HG2 ARG 95 - HE3 LYS 115 lone 1 99 - 1 - HG2 ARG 95 - HE2 LYS 115 lone 1 99 - 1 - HB2 LEU 63 - HE3 LYS 94 lone 0 82 - 1 - HB2 LYS 73 - HE2 LYS 115 lone 0 80 - 1 - HB2 LYS 73 - HE3 LYS 115 lone 0 80 - 1 - HB3 ARG 118 - HE3 LYS 94 lone 0 82 - 1 - HB3 LYS 73 - HE3 LYS 115 lone 0 84 - 1 - HB3 LYS 73 - HE2 LYS 115 lone 0 84 - 1 - HB3 ARG 118 - HE2 LYS 16 lone 0 92 - 0 - HB3 ARG 118 - HE3 LYS 16 lone 0 92 - 0 - HB2 LYS 73 - HE3 LYS 65 lone 0 73 - 1 - HB2 LYS 73 - HE2 LYS 65 lone 0 73 - 1 - HB3 LYS 73 - HE3 LYS 65 lone 0 76 - 1 - HB3 LYS 73 - HE2 LYS 65 lone 0 76 - 1 - HG LEU 45 - HE3 LYS 115 lone 0 100 - 0 - HG LEU 45 - HE2 LYS 115 lone 0 100 - 0 - HB2 LYS 49 - HE3 LYS 94 lone 0 56 - 1 - HB ILE 7 - HE2 LYS 16 lone 0 90 - 0 - HB ILE 7 - HE3 LYS 16 lone 0 90 - 0 - HG LEU 45 - HE3 LYS 65 lone 0 96 - 0 - HG LEU 45 - HE2 LYS 65 lone 0 96 - 0 - HB2 LEU 63 - HE3 LYS 17 lone 0 71 - 1 - HB3 LYS 73 - HE3 LYS 94 lone 0 73 - 1 - HB ILE 7 - HE2 LYS 115 lone 0 89 - 0 - HB ILE 7 - HE3 LYS 115 lone 0 89 - 0 - QE MET 42 - HE3 LYS 17 lone 0 57 - 1 - HB2 LYS 73 - HE3 LYS 94 lone 0 70 - 1 - HG2 ARG 95 - HE3 LYS 17 lone 0 80 - 0 - HB ILE 7 - HE3 LYS 94 lone 0 79 - 0 - HB2 LYS 49 - HE2 LYS 16 lone 0 65 - 0 - HB2 LYS 49 - HE3 LYS 16 lone 0 65 - 0 - HB2 ARG 95 - HE3 LYS 115 lone 0 73 - 0 - HB2 ARG 95 - HE2 LYS 115 lone 0 73 - 0 - HB2 ARG 95 - HE3 LYS 65 lone 0 66 - 0 - HB2 ARG 95 - HE2 LYS 65 lone 0 66 - 0 - HB ILE 7 - HE2 LYS 65 lone 0 82 - 0 - HB ILE 7 - HE3 LYS 65 lone 0 82 - 0 - HB3 ARG 118 - HE3 LYS 17 lone 0 71 - 0 - HB2 ARG 95 - HE3 LYS 94 lone 0 63 - 0 - HB2 ARG 95 - HE3 LYS 17 lone 0 54 - 0 - HB2 LYS 49 - HE3 LYS 17 lone 0 47 - 1 - Peak 2804 from cnoeabs.peaks (1.63, 2.91, 41.78 ppm; 2.63 A): 4 out of 96 assignments used, quality = 0.94: HG2 LYS 16 + HE2 LYS 16 OK 68 100 - 68 - 3.7=37, 2757/3.0=7...(28) * HG2 LYS 16 + HE3 LYS 16 OK 68 100 - 68 - 3.7=37, 2757/3.0=7...(28) HG3 LYS 40 + HE2 LYS 16 OK 26 97 - 27 - 1.8/6009=2, 3695/3.0=2...(8) HG3 LYS 40 + HE3 LYS 16 OK 26 97 - 27 - 1.8/6009=2, 3695/3.0=2...(8) HB2 LEU 82 - HE3 LYS 17 lone 4 78 - 5 - 9964/3.8=2 HG2 LYS 16 - HE2 LYS 115 lone 3 100 - 3 - HG2 LYS 16 - HE3 LYS 115 lone 3 100 - 3 - HG LEU 90 - HE3 LYS 94 lone 2 76 - 3 - HG2 LYS 16 - HE3 LYS 17 lone 2 83 - 3 - HB ILE 116 - HE2 LYS 115 lone 2 100 - 2 - 8253/6.2=1 HB ILE 116 - HE3 LYS 115 lone 2 100 - 2 - 8253/6.2=1 HG3 LYS 40 - HE3 LYS 17 lone 2 77 - 3 - HG2 LYS 16 - HE3 LYS 65 lone 2 96 - 2 - HG2 LYS 16 - HE2 LYS 65 lone 2 96 - 2 - HB ILE 116 - HE3 LYS 17 lone 1 82 - 1 - HG3 LYS 40 - HE2 LYS 115 lone 1 97 - 1 - HG3 LYS 40 - HE3 LYS 115 lone 1 97 - 1 - HB ILE 5 - HE3 LYS 17 lone 1 44 - 2 - ~11480=1 HB ILE 116 - HE2 LYS 65 lone 1 95 - 1 - HB ILE 116 - HE3 LYS 65 lone 1 95 - 1 - HB3 LEU 64 - HE2 LYS 65 lone 1 95 - 1 - HB3 LEU 64 - HE3 LYS 65 lone 1 95 - 1 - HB3 LEU 64 - HE2 LYS 115 lone 1 100 - 1 - HB3 LEU 64 - HE3 LYS 115 lone 1 100 - 1 - HB2 LEU 82 - HE2 LYS 16 lone 1 98 - 1 - HB2 LEU 82 - HE3 LYS 16 lone 1 98 - 1 - HG LEU 64 - HE2 LYS 115 lone 1 77 - 1 - HG LEU 64 - HE3 LYS 115 lone 1 77 - 1 - HB3 LEU 64 - HE2 LYS 16 lone 1 100 - 1 - HB3 LEU 64 - HE3 LYS 16 lone 1 100 - 1 - HG LEU 90 - HE3 LYS 65 lone 1 79 - 1 - HG LEU 90 - HE2 LYS 65 lone 1 79 - 1 - HG3 LYS 40 - HE3 LYS 65 lone 1 90 - 1 - HG3 LYS 40 - HE2 LYS 65 lone 1 90 - 1 - HB2 LEU 82 - HE3 LYS 94 lone 1 89 - 1 - HD2 LYS 77 - HE3 LYS 16 lone 0 100 - 0 - HD2 LYS 77 - HE2 LYS 16 lone 0 100 - 0 - HD3 LYS 77 - HE3 LYS 16 lone 0 99 - 0 - HD3 LYS 77 - HE2 LYS 16 lone 0 99 - 0 - HG LEU 63 - HE3 LYS 65 lone 0 90 - 1 - HG LEU 63 - HE2 LYS 65 lone 0 90 - 1 - HB ILE 116 - HE3 LYS 16 lone 0 100 - 0 - HB ILE 116 - HE2 LYS 16 lone 0 100 - 0 - HG LEU 63 - HE2 LYS 16 lone 0 97 - 0 - HG LEU 63 - HE3 LYS 16 lone 0 97 - 0 - HB3 LEU 64 - HE3 LYS 17 lone 0 82 - 0 - HG3 LYS 40 - HE3 LYS 94 lone 0 88 - 0 - HG LEU 64 - HE3 LYS 16 lone 0 77 - 0 - HG LEU 64 - HE2 LYS 16 lone 0 77 - 0 - HG LEU 63 - HE2 LYS 115 lone 0 97 - 0 - HG LEU 63 - HE3 LYS 115 lone 0 97 - 0 - HG LEU 64 - HE3 LYS 17 lone 0 57 - 1 - HG2 LYS 16 - HE3 LYS 94 lone 0 93 - 0 - HG LEU 90 - HE2 LYS 16 lone 0 87 - 0 - HG LEU 90 - HE3 LYS 16 lone 0 87 - 0 - HB2 LEU 82 - HE2 LYS 115 lone 0 98 - 0 - HB2 LEU 82 - HE3 LYS 115 lone 0 98 - 0 - HD2 LYS 77 - HE2 LYS 65 lone 0 95 - 0 - HD2 LYS 77 - HE3 LYS 65 lone 0 95 - 0 - HD3 LYS 77 - HE3 LYS 65 lone 0 94 - 0 - HD3 LYS 77 - HE2 LYS 65 lone 0 94 - 0 - HG LEU 90 - HE2 LYS 115 lone 0 87 - 0 - HG LEU 90 - HE3 LYS 115 lone 0 87 - 0 - HB2 LEU 82 - HE2 LYS 65 lone 0 92 - 0 - HB2 LEU 82 - HE3 LYS 65 lone 0 92 - 0 - HD2 LYS 77 - HE2 LYS 115 lone 0 100 - 0 - HD2 LYS 77 - HE3 LYS 115 lone 0 100 - 0 - HB3 LEU 127 - HE3 LYS 16 lone 0 81 - 0 - HB3 LEU 127 - HE2 LYS 16 lone 0 81 - 0 - HD3 LYS 77 - HE2 LYS 115 lone 0 99 - 0 - HD3 LYS 77 - HE3 LYS 115 lone 0 99 - 0 - HB3 LEU 64 - HE3 LYS 94 lone 0 93 - 0 - HD2 LYS 77 - HE3 LYS 94 lone 0 92 - 0 - HD3 LYS 77 - HE3 LYS 94 lone 0 92 - 0 - HB3 LEU 127 - HE3 LYS 17 lone 0 60 - 0 - HB ILE 116 - HE3 LYS 94 lone 0 92 - 0 - HB3 LEU 127 - HE3 LYS 115 lone 0 80 - 0 - HB3 LEU 127 - HE2 LYS 115 lone 0 80 - 0 - HB3 LEU 127 - HE2 LYS 65 lone 0 73 - 0 - HB3 LEU 127 - HE3 LYS 65 lone 0 73 - 0 - HG LEU 63 - HE3 LYS 17 lone 0 77 - 0 - HG LEU 63 - HE3 LYS 94 lone 0 88 - 0 - HD2 LYS 77 - HE3 LYS 17 lone 0 82 - 0 - HD3 LYS 77 - HE3 LYS 17 lone 0 81 - 0 - HB3 LEU 127 - HE3 LYS 94 lone 0 70 - 0 - HB ILE 5 - HE2 LYS 16 lone 0 61 - 0 - HB ILE 5 - HE3 LYS 16 lone 0 61 - 0 - HG LEU 64 - HE3 LYS 94 lone 0 67 - 0 - HG LEU 64 - HE3 LYS 65 lone 0 70 - 0 - HG LEU 64 - HE2 LYS 65 lone 0 70 - 0 - HG LEU 90 - HE3 LYS 17 lone 0 66 - 0 - HB ILE 5 - HE2 LYS 115 lone 0 61 - 0 - HB ILE 5 - HE3 LYS 115 lone 0 61 - 0 - HB ILE 5 - HE3 LYS 65 lone 0 55 - 0 - HB ILE 5 - HE2 LYS 65 lone 0 55 - 0 - HB ILE 5 - HE3 LYS 94 lone 0 52 - 0 - Peak 2805 from cnoeabs.peaks (1.40, 2.91, 41.78 ppm; 3.23 A): 2 out of 56 assignments used, quality = 0.99: * HG3 LYS 16 + HE3 LYS 16 OK 91 100 - 91 - 3.7=68, 1.8/2794=12...(37) HG3 LYS 16 + HE2 LYS 16 OK 91 100 - 91 - 3.7=68, 1.8/2794=12...(37) HG2 LYS 40 - HE2 LYS 16 OK 27 70 - 39 - 1.8/2794=4, 2.7/2892=3...(17) HG2 LYS 40 - HE3 LYS 16 OK 27 70 - 39 - 1.8/2794=4, 2.7/2892=3...(17) HB3 LEU 114 - HE3 LYS 17 OK 16 83 - 20 - 3.1/11218=4, ~11514=4...(8) HB3 LEU 114 - HE3 LYS 115 lone 6 100 - 6 - 7883/7.2=2, 3.1/11218=1 HB3 LEU 114 - HE2 LYS 115 lone 6 100 - 6 - 7883/7.2=2, 3.1/11218=1 HG3 LYS 16 - HE3 LYS 17 lone 6 83 - 7 - 7369/7.2=3 HG LEU 14 - HE3 LYS 17 poor 6 47 - 12 - ~11477=4, ~11478=4, ~11479=3 HG3 LYS 16 - HE2 LYS 115 lone 5 100 - 5 - HG3 LYS 16 - HE3 LYS 115 lone 5 100 - 5 - HG3 LYS 16 - HE3 LYS 65 lone 3 96 - 3 - HG3 LYS 16 - HE2 LYS 65 lone 3 96 - 3 - QB ALA 113 - HE2 LYS 115 lone 3 80 - 4 - 10408/7.2=2 QB ALA 113 - HE3 LYS 115 lone 3 80 - 4 - 10408/7.2=2 HB3 LEU 114 - HE2 LYS 16 lone 3 100 - 3 - HB3 LEU 114 - HE3 LYS 16 lone 3 100 - 3 - HG2 LYS 40 - HE3 LYS 17 lone 2 51 - 5 - ~2882=1 HB3 LEU 114 - HE2 LYS 65 lone 2 96 - 2 - 4.3/1758=1 HB3 LEU 114 - HE3 LYS 65 lone 2 96 - 2 - 4.3/1758=1 HB3 LEU 68 - HE2 LYS 65 lone 2 70 - 2 - 8127/6.7=2 HB3 LEU 68 - HE3 LYS 65 lone 2 70 - 2 - 8127/6.7=2 QB ALA 113 - HE2 LYS 65 lone 1 73 - 2 - QB ALA 113 - HE3 LYS 65 lone 1 73 - 2 - QB ALA 113 - HE3 LYS 17 lone 1 60 - 2 - HG2 LYS 40 - HE3 LYS 115 lone 1 69 - 2 - HG2 LYS 40 - HE2 LYS 115 lone 1 69 - 2 - HB3 LEU 114 - HE3 LYS 94 lone 1 93 - 1 - QB ALA 113 - HE2 LYS 16 lone 1 81 - 1 - QB ALA 113 - HE3 LYS 16 lone 1 81 - 1 - HB3 LEU 68 - HE3 LYS 115 lone 1 77 - 1 - HB3 LEU 68 - HE2 LYS 115 lone 1 77 - 1 - HG LEU 14 - HE3 LYS 94 lone 1 56 - 1 - HG LEU 14 - HE3 LYS 16 lone 1 65 - 1 - HG LEU 14 - HE2 LYS 16 lone 1 65 - 1 - HG2 LYS 40 - HE3 LYS 65 lone 1 62 - 1 - HG2 LYS 40 - HE2 LYS 65 lone 1 62 - 1 - HG LEU 14 - HE2 LYS 115 lone 1 65 - 1 - HG LEU 14 - HE3 LYS 115 lone 1 65 - 1 - HB3 LEU 68 - HE2 LYS 16 lone 1 77 - 1 - HB3 LEU 68 - HE3 LYS 16 lone 1 77 - 1 - HG3 LYS 16 - HE3 LYS 94 lone 1 93 - 1 - HG3 LYS 106 - HE2 LYS 115 lone 1 98 - 1 - HG3 LYS 106 - HE3 LYS 115 lone 1 98 - 1 - HG3 LYS 106 - HE3 LYS 94 lone 1 89 - 1 - HG3 LYS 106 - HE2 LYS 16 lone 1 98 - 1 - HG3 LYS 106 - HE3 LYS 16 lone 1 98 - 1 - HB3 LEU 68 - HE3 LYS 17 lone 1 57 - 1 - HG LEU 14 - HE2 LYS 65 lone 0 58 - 1 - HG LEU 14 - HE3 LYS 65 lone 0 58 - 1 - HG3 LYS 106 - HE3 LYS 65 lone 0 92 - 0 - HG3 LYS 106 - HE2 LYS 65 lone 0 92 - 0 - HG2 LYS 40 - HE3 LYS 94 lone 0 60 - 1 - HG3 LYS 106 - HE3 LYS 17 lone 0 78 - 0 - HB3 LEU 68 - HE3 LYS 94 lone 0 67 - 0 - QB ALA 113 - HE3 LYS 94 lone 0 70 - 0 - Peak 2806 from cnoeabs.peaks (1.69, 2.91, 41.78 ppm; 2.57 A): 5 out of 184 assignments used, quality = 1.00: * HD2 LYS 16 + HE3 LYS 16 OK 78 100 - 78 - 3.0=63, 2779/1.8=5...(18) HD2 LYS 16 + HE2 LYS 16 OK 78 100 - 78 - 3.0=63, 2779/1.8=5...(18) HD3 LYS 16 + HE3 LYS 16 OK 78 100 - 78 - 3.0=63, 1.8/2778=5...(18) HD3 LYS 16 + HE2 LYS 16 OK 78 100 - 78 - 3.0=63, 1.8/2778=5...(18) HD2 LYS 17 + HE3 LYS 17 OK 60 80 - 76 - 2.9=66, 2864/3.8=9...(7) HD2 LYS 40 - HE2 LYS 16 OK 20 99 - 20 - 2778=2, 2.9/6009=2...(7) HD2 LYS 40 - HE3 LYS 16 OK 20 99 - 20 - 2779=2, 2.9/6009=2...(7) HD3 LYS 40 - HE2 LYS 16 OK 19 99 - 20 - 2779=2, 2.9/6009=2...(7) HD3 LYS 40 - HE3 LYS 16 OK 19 99 - 20 - 2779=2, 2.9/6009=2...(7) HB ILE 56 - HE3 LYS 94 lone 7 92 - 8 - ~9551=2, 10948/3.0=2 HD3 LYS 96 - HE3 LYS 65 lone 5 95 - 5 - HD3 LYS 96 - HE2 LYS 65 lone 5 95 - 5 - HD2 LYS 96 - HE3 LYS 65 lone 5 93 - 5 - HD2 LYS 96 - HE2 LYS 65 lone 5 93 - 5 - HB ILE 56 - HE3 LYS 17 lone 3 82 - 4 - HD2 LYS 17 - HE2 LYS 16 lone 3 99 - 3 - HD2 LYS 17 - HE3 LYS 16 lone 3 99 - 3 - HD2 LYS 16 - HE3 LYS 115 lone 2 100 - 2 - HD2 LYS 16 - HE2 LYS 115 lone 2 100 - 2 - HD3 LYS 16 - HE2 LYS 115 lone 2 100 - 2 - HD3 LYS 16 - HE3 LYS 115 lone 2 100 - 2 - HD3 LYS 20 - HE2 LYS 16 lone 2 100 - 2 - HD3 LYS 20 - HE3 LYS 16 lone 2 100 - 2 - HD2 LYS 20 - HE3 LYS 16 lone 2 100 - 2 - HD2 LYS 20 - HE2 LYS 16 lone 2 100 - 2 - HD2 LYS 16 - HE3 LYS 17 lone 2 83 - 2 - HD3 LYS 16 - HE3 LYS 17 lone 2 82 - 2 - HD2 LYS 16 - HE2 LYS 65 lone 2 96 - 2 - HD2 LYS 16 - HE3 LYS 65 lone 2 96 - 2 - HD3 LYS 16 - HE2 LYS 65 lone 2 95 - 2 - HD3 LYS 16 - HE3 LYS 65 lone 2 95 - 2 - HD3 LYS 96 - HE3 LYS 16 lone 1 100 - 1 - HD3 LYS 96 - HE2 LYS 16 lone 1 100 - 1 - HD3 LYS 73 - HE2 LYS 16 lone 1 100 - 1 - HD3 LYS 73 - HE3 LYS 16 lone 1 100 - 1 - HD2 LYS 73 - HE2 LYS 16 lone 1 100 - 1 - HD2 LYS 73 - HE3 LYS 16 lone 1 100 - 1 - HD2 LYS 96 - HE2 LYS 16 lone 1 99 - 1 - HD2 LYS 96 - HE3 LYS 16 lone 1 99 - 1 - HD2 LYS 17 - HE3 LYS 115 lone 1 99 - 1 - HD2 LYS 17 - HE2 LYS 115 lone 1 99 - 1 - HG3 LYS 123 - HE2 LYS 16 lone 1 84 - 1 - HG3 LYS 123 - HE3 LYS 16 lone 1 84 - 1 - HG12 ILE 71 - HE3 LYS 17 lone 1 75 - 2 - HG3 LYS 123 - HE3 LYS 115 lone 1 84 - 1 - HG3 LYS 123 - HE2 LYS 115 lone 1 84 - 1 - HD3 LYS 20 - HE3 LYS 17 lone 1 83 - 1 - HD2 LYS 20 - HE3 LYS 17 lone 1 82 - 1 - HG3 LYS 39 - HE3 LYS 16 lone 1 84 - 1 - HG3 LYS 39 - HE2 LYS 16 lone 1 84 - 1 - HD2 LYS 40 - HE3 LYS 17 lone 1 81 - 1 - HD3 LYS 40 - HE3 LYS 17 lone 1 80 - 1 - HG3 LYS 123 - HE2 LYS 65 lone 1 76 - 1 - HG3 LYS 123 - HE3 LYS 65 lone 1 76 - 1 - HD3 LYS 96 - HE3 LYS 94 lone 1 92 - 1 - HD2 LYS 96 - HE3 LYS 94 lone 1 91 - 1 - HD2 LYS 40 - HE2 LYS 115 lone 1 99 - 1 - HD2 LYS 40 - HE3 LYS 115 lone 1 99 - 1 - HD3 LYS 40 - HE3 LYS 115 lone 1 99 - 1 - HD3 LYS 40 - HE2 LYS 115 lone 1 99 - 1 - HG3 LYS 123 - HE3 LYS 94 lone 1 73 - 1 - HD3 LYS 43 - HE3 LYS 16 lone 1 100 - 1 - HD3 LYS 43 - HE2 LYS 16 lone 1 100 - 1 - HD2 LYS 44 - HE2 LYS 16 lone 1 77 - 1 - HD2 LYS 44 - HE3 LYS 16 lone 1 77 - 1 - HD2 LYS 43 - HE3 LYS 16 lone 1 97 - 1 - HD2 LYS 43 - HE2 LYS 16 lone 1 97 - 1 - HD2 LYS 44 - HE2 LYS 65 lone 1 70 - 1 - HD2 LYS 44 - HE3 LYS 65 lone 1 70 - 1 - HG3 LYS 123 - HE3 LYS 17 lone 1 63 - 1 - HD3 LYS 44 - HE2 LYS 65 lone 1 62 - 1 - HD3 LYS 44 - HE3 LYS 65 lone 1 62 - 1 - HD3 LYS 44 - HE2 LYS 16 lone 1 70 - 1 - HD3 LYS 44 - HE3 LYS 16 lone 1 70 - 1 - HG3 ARG 95 - HE2 LYS 16 lone 1 92 - 1 - HG3 ARG 95 - HE3 LYS 16 lone 1 92 - 1 - HG LEU 74 - HE2 LYS 16 lone 1 65 - 1 - HG LEU 74 - HE3 LYS 16 lone 1 65 - 1 - HB ILE 54 - HE2 LYS 65 lone 1 94 - 1 - HB ILE 54 - HE3 LYS 65 lone 1 94 - 1 - HD2 LYS 40 - HE3 LYS 65 lone 1 94 - 1 - HD2 LYS 40 - HE2 LYS 65 lone 1 94 - 1 - HD3 LYS 40 - HE3 LYS 65 lone 1 93 - 1 - HD3 LYS 40 - HE2 LYS 65 lone 1 93 - 1 - HD3 LYS 43 - HE3 LYS 94 lone 1 93 - 1 - HD2 LYS 43 - HE3 LYS 94 lone 0 88 - 1 - HB ILE 54 - HE2 LYS 16 lone 0 99 - 0 - HB ILE 54 - HE3 LYS 16 lone 0 99 - 0 - HB ILE 54 - HE3 LYS 94 lone 0 92 - 0 - HD3 LYS 96 - HE2 LYS 115 lone 0 100 - 0 - HD3 LYS 96 - HE3 LYS 115 lone 0 100 - 0 - HD2 LYS 96 - HE3 LYS 115 lone 0 99 - 0 - HD2 LYS 96 - HE2 LYS 115 lone 0 99 - 0 - HG12 ILE 71 - HE3 LYS 115 lone 0 95 - 0 - HG12 ILE 71 - HE2 LYS 115 lone 0 95 - 0 - HG12 ILE 71 - HE3 LYS 16 lone 0 96 - 0 - HG12 ILE 71 - HE2 LYS 16 lone 0 96 - 0 - HD3 LYS 96 - HE3 LYS 17 lone 0 82 - 0 - HD2 LYS 96 - HE3 LYS 17 lone 0 80 - 0 - HG3 LYS 39 - HE3 LYS 94 lone 0 73 - 1 - HD2 LYS 17 - HE3 LYS 65 lone 0 93 - 0 - HD2 LYS 17 - HE2 LYS 65 lone 0 93 - 0 - HD3 LYS 43 - HE3 LYS 17 lone 0 82 - 0 - HD2 LYS 44 - HE3 LYS 94 lone 0 67 - 1 - HB ILE 54 - HE2 LYS 115 lone 0 99 - 0 - HB ILE 54 - HE3 LYS 115 lone 0 99 - 0 - HD2 LYS 16 - HE3 LYS 94 lone 0 93 - 0 - HD3 LYS 16 - HE3 LYS 94 lone 0 92 - 0 - HD2 LYS 43 - HE3 LYS 17 lone 0 77 - 0 - HD2 LYS 40 - HE3 LYS 94 lone 0 92 - 0 - HD3 LYS 40 - HE3 LYS 94 lone 0 91 - 0 - HD3 LYS 20 - HE3 LYS 94 lone 0 93 - 0 - HB ILE 56 - HE3 LYS 16 lone 0 100 - 0 - HB ILE 56 - HE2 LYS 16 lone 0 100 - 0 - HG3 LYS 39 - HE3 LYS 115 lone 0 84 - 0 - HG3 LYS 39 - HE2 LYS 115 lone 0 84 - 0 - HD2 LYS 20 - HE3 LYS 94 lone 0 93 - 0 - HD3 LYS 44 - HE3 LYS 94 lone 0 60 - 1 - HG12 ILE 71 - HE3 LYS 65 lone 0 89 - 0 - HG12 ILE 71 - HE2 LYS 65 lone 0 89 - 0 - HD3 LYS 20 - HE2 LYS 65 lone 0 96 - 0 - HD3 LYS 20 - HE3 LYS 65 lone 0 96 - 0 - HD2 LYS 20 - HE3 LYS 65 lone 0 95 - 0 - HD2 LYS 20 - HE2 LYS 65 lone 0 95 - 0 - HG3 LYS 39 - HE3 LYS 65 lone 0 76 - 0 - HG3 LYS 39 - HE2 LYS 65 lone 0 76 - 0 - HD3 LYS 20 - HE2 LYS 115 lone 0 100 - 0 - HD3 LYS 20 - HE3 LYS 115 lone 0 100 - 0 - HD2 LYS 20 - HE2 LYS 115 lone 0 100 - 0 - HD2 LYS 20 - HE3 LYS 115 lone 0 100 - 0 - HD3 LYS 39 - HE3 LYS 16 lone 0 61 - 0 - HD3 LYS 39 - HE2 LYS 16 lone 0 61 - 0 - HD3 LYS 43 - HE3 LYS 65 lone 0 95 - 0 - HD3 LYS 43 - HE2 LYS 65 lone 0 95 - 0 - HD2 LYS 73 - HE3 LYS 17 lone 0 83 - 0 - HD3 LYS 73 - HE3 LYS 17 lone 0 82 - 0 - HG3 ARG 95 - HE3 LYS 94 lone 0 82 - 0 - HB ILE 56 - HE3 LYS 65 lone 0 95 - 0 - HB ILE 56 - HE2 LYS 65 lone 0 95 - 0 - HD2 LYS 43 - HE2 LYS 65 lone 0 90 - 0 - HD2 LYS 43 - HE3 LYS 65 lone 0 90 - 0 - HD2 LYS 73 - HE2 LYS 65 lone 0 96 - 0 - HD2 LYS 73 - HE3 LYS 65 lone 0 96 - 0 - HD3 LYS 73 - HE2 LYS 65 lone 0 95 - 0 - HD3 LYS 73 - HE3 LYS 65 lone 0 95 - 0 - HG3 ARG 95 - HE2 LYS 65 lone 0 84 - 0 - HG3 ARG 95 - HE3 LYS 65 lone 0 84 - 0 - HB ILE 56 - HE2 LYS 115 lone 0 100 - 0 - HB ILE 56 - HE3 LYS 115 lone 0 100 - 0 - HD3 LYS 43 - HE3 LYS 115 lone 0 100 - 0 - HD3 LYS 43 - HE2 LYS 115 lone 0 100 - 0 - HD2 LYS 73 - HE2 LYS 115 lone 0 100 - 0 - HD2 LYS 73 - HE3 LYS 115 lone 0 100 - 0 - HD3 LYS 73 - HE2 LYS 115 lone 0 100 - 0 - HD3 LYS 73 - HE3 LYS 115 lone 0 100 - 0 - HD2 LYS 73 - HE3 LYS 94 lone 0 93 - 0 - HD3 LYS 73 - HE3 LYS 94 lone 0 93 - 0 - HB ILE 54 - HE3 LYS 17 lone 0 81 - 0 - HG3 ARG 95 - HE3 LYS 115 lone 0 92 - 0 - HG3 ARG 95 - HE2 LYS 115 lone 0 92 - 0 - HD2 LYS 43 - HE2 LYS 115 lone 0 97 - 0 - HD2 LYS 43 - HE3 LYS 115 lone 0 97 - 0 - HD2 LYS 44 - HE2 LYS 115 lone 0 77 - 0 - HD2 LYS 44 - HE3 LYS 115 lone 0 77 - 0 - HD3 LYS 39 - HE3 LYS 94 lone 0 52 - 0 - HG12 ILE 71 - HE3 LYS 94 lone 0 86 - 0 - HD2 LYS 44 - HE3 LYS 17 lone 0 57 - 0 - HG3 LYS 39 - HE3 LYS 17 lone 0 63 - 0 - HD3 LYS 44 - HE3 LYS 115 lone 0 69 - 0 - HD3 LYS 44 - HE2 LYS 115 lone 0 69 - 0 - HD2 LYS 17 - HE3 LYS 94 lone 0 91 - 0 - HG LEU 74 - HE2 LYS 115 lone 0 65 - 0 - HG LEU 74 - HE3 LYS 115 lone 0 65 - 0 - HD3 LYS 44 - HE3 LYS 17 lone 0 51 - 0 - HD3 LYS 39 - HE2 LYS 65 lone 0 55 - 0 - HD3 LYS 39 - HE3 LYS 65 lone 0 55 - 0 - HG3 ARG 95 - HE3 LYS 17 lone 0 71 - 0 - HD3 LYS 39 - HE3 LYS 115 lone 0 61 - 0 - HD3 LYS 39 - HE2 LYS 115 lone 0 61 - 0 - HG LEU 74 - HE3 LYS 94 lone 0 56 - 0 - HG LEU 74 - HE2 LYS 65 lone 0 58 - 0 - HG LEU 74 - HE3 LYS 65 lone 0 58 - 0 - HG LEU 74 - HE3 LYS 17 lone 0 47 - 0 - HD3 LYS 39 - HE3 LYS 17 lone 0 44 - 0 - Peak 2807 from cnoeabs.peaks (1.69, 2.91, 41.78 ppm; 2.57 A): 5 out of 192 assignments used, quality = 1.00: * HD3 LYS 16 + HE3 LYS 16 OK 78 100 - 78 - 3.0=63, 1.8/2779=5...(18) HD3 LYS 16 + HE2 LYS 16 OK 78 100 - 78 - 3.0=63, 1.8/2779=5...(18) HD2 LYS 16 + HE2 LYS 16 OK 78 100 - 78 - 3.0=63, 2778/1.8=5...(18) HD2 LYS 16 + HE3 LYS 16 OK 78 100 - 78 - 3.0=63, 2778/1.8=5...(18) HD2 LYS 17 + HE3 LYS 17 OK 57 75 - 75 - 2.9=66, 2864/3.8=9...(7) HD2 LYS 40 - HE3 LYS 16 OK 19 97 - 20 - 2779=2, 2.9/6009=2...(7) HD2 LYS 40 - HE2 LYS 16 OK 19 97 - 20 - 2778=2, 2.9/6009=2...(7) HD3 LYS 40 - HE2 LYS 16 OK 19 96 - 20 - 2778=2, 2.9/6009=2...(7) HD3 LYS 40 - HE3 LYS 16 OK 19 96 - 20 - 2779=2, 2.9/6009=2...(7) HB ILE 56 - HE3 LYS 94 lone 7 93 - 8 - ~9551=2, 10948/3.0=2 HD3 LYS 96 - HE2 LYS 65 lone 5 92 - 5 - HD3 LYS 96 - HE3 LYS 65 lone 5 92 - 5 - HD2 LYS 96 - HE2 LYS 65 lone 5 89 - 5 - HD2 LYS 96 - HE3 LYS 65 lone 5 89 - 5 - HB ILE 56 - HE3 LYS 17 lone 4 83 - 4 - HD2 LYS 17 - HE3 LYS 16 lone 3 96 - 3 - HD2 LYS 17 - HE2 LYS 16 lone 3 96 - 3 - HD2 LYS 16 - HE3 LYS 115 lone 2 100 - 2 - HD2 LYS 16 - HE2 LYS 115 lone 2 100 - 2 - HD3 LYS 16 - HE2 LYS 115 lone 2 100 - 2 - HD3 LYS 16 - HE3 LYS 115 lone 2 100 - 2 - HD2 LYS 20 - HE2 LYS 16 lone 2 100 - 2 - HD2 LYS 20 - HE3 LYS 16 lone 2 100 - 2 - HD3 LYS 20 - HE3 LYS 16 lone 2 100 - 2 - HD3 LYS 20 - HE2 LYS 16 lone 2 100 - 2 - HD3 LYS 16 - HE3 LYS 17 lone 2 83 - 2 - HD2 LYS 16 - HE3 LYS 17 lone 2 82 - 2 - HD2 LYS 16 - HE3 LYS 65 lone 2 95 - 2 - HD2 LYS 16 - HE2 LYS 65 lone 2 95 - 2 - HD3 LYS 16 - HE3 LYS 65 lone 2 96 - 2 - HD3 LYS 16 - HE2 LYS 65 lone 2 96 - 2 - HD2 LYS 73 - HE2 LYS 16 lone 1 99 - 1 - HD2 LYS 73 - HE3 LYS 16 lone 1 99 - 1 - HD3 LYS 73 - HE2 LYS 16 lone 1 99 - 1 - HD3 LYS 73 - HE3 LYS 16 lone 1 99 - 1 - HG3 LYS 123 - HE2 LYS 16 lone 1 92 - 1 - HG3 LYS 123 - HE3 LYS 16 lone 1 92 - 1 - HD3 LYS 96 - HE3 LYS 16 lone 1 98 - 1 - HD3 LYS 96 - HE2 LYS 16 lone 1 98 - 1 - HG3 LYS 123 - HE3 LYS 115 lone 1 92 - 1 - HG3 LYS 123 - HE2 LYS 115 lone 1 92 - 1 - HD2 LYS 96 - HE2 LYS 16 lone 1 96 - 1 - HD2 LYS 96 - HE3 LYS 16 lone 1 96 - 1 - HG12 ILE 71 - HE3 LYS 17 lone 1 80 - 2 - HG3 LYS 39 - HE2 LYS 16 lone 1 92 - 1 - HG3 LYS 39 - HE3 LYS 16 lone 1 92 - 1 - HD2 LYS 17 - HE3 LYS 115 lone 1 95 - 1 - HD2 LYS 17 - HE2 LYS 115 lone 1 95 - 1 - HG3 LYS 123 - HE3 LYS 65 lone 1 84 - 1 - HG3 LYS 123 - HE2 LYS 65 lone 1 84 - 1 - HD2 LYS 20 - HE3 LYS 17 lone 1 83 - 1 - HD3 LYS 20 - HE3 LYS 17 lone 1 82 - 1 - HD2 LYS 40 - HE3 LYS 17 lone 1 77 - 1 - HG3 LYS 123 - HE3 LYS 94 lone 1 82 - 1 - HD3 LYS 40 - HE3 LYS 17 lone 1 75 - 1 - HD3 LYS 96 - HE3 LYS 94 lone 1 89 - 1 - HD2 LYS 96 - HE3 LYS 94 lone 1 86 - 1 - HG3 LYS 123 - HE3 LYS 17 lone 1 71 - 1 - HD2 LYS 40 - HE3 LYS 115 lone 1 97 - 1 - HD2 LYS 40 - HE2 LYS 115 lone 1 97 - 1 - HD2 LYS 44 - HE2 LYS 16 lone 1 87 - 1 - HD2 LYS 44 - HE3 LYS 16 lone 1 87 - 1 - HD2 LYS 44 - HE3 LYS 65 lone 1 79 - 1 - HD2 LYS 44 - HE2 LYS 65 lone 1 79 - 1 - HD3 LYS 40 - HE2 LYS 115 lone 1 95 - 1 - HD3 LYS 40 - HE3 LYS 115 lone 1 95 - 1 - HD3 LYS 44 - HE2 LYS 65 lone 1 73 - 1 - HD3 LYS 44 - HE3 LYS 65 lone 1 73 - 1 - HD3 LYS 44 - HE3 LYS 16 lone 1 81 - 1 - HD3 LYS 44 - HE2 LYS 16 lone 1 81 - 1 - HD3 LYS 43 - HE2 LYS 16 lone 1 99 - 1 - HD3 LYS 43 - HE3 LYS 16 lone 1 99 - 1 - HG LEU 74 - HE3 LYS 16 lone 1 77 - 1 - HG LEU 74 - HE2 LYS 16 lone 1 77 - 1 - HD2 LYS 43 - HE2 LYS 16 lone 1 92 - 1 - HD2 LYS 43 - HE3 LYS 16 lone 1 92 - 1 - HG12 ILE 71 - HE2 LYS 65 lone 1 93 - 1 - HG12 ILE 71 - HE3 LYS 65 lone 1 93 - 1 - HB ILE 54 - HE2 LYS 65 lone 1 90 - 1 - HB ILE 54 - HE3 LYS 65 lone 1 90 - 1 - HG3 ARG 95 - HE2 LYS 16 lone 1 84 - 1 - HG3 ARG 95 - HE3 LYS 16 lone 1 84 - 1 - HD2 LYS 40 - HE3 LYS 65 lone 1 90 - 1 - HD2 LYS 40 - HE2 LYS 65 lone 1 90 - 1 - HD3 LYS 40 - HE3 LYS 65 lone 1 89 - 1 - HD3 LYS 40 - HE2 LYS 65 lone 1 89 - 1 - HG12 ILE 71 - HE2 LYS 115 lone 0 99 - 0 - HG12 ILE 71 - HE3 LYS 115 lone 0 99 - 0 - HD3 LYS 43 - HE3 LYS 94 lone 0 91 - 1 - HB ILE 54 - HE3 LYS 16 lone 0 97 - 0 - HB ILE 54 - HE2 LYS 16 lone 0 97 - 0 - HD2 LYS 43 - HE3 LYS 94 lone 0 82 - 1 - HB ILE 54 - HE3 LYS 94 lone 0 88 - 0 - HG3 LYS 39 - HE3 LYS 94 lone 0 82 - 1 - HD2 LYS 44 - HE3 LYS 94 lone 0 76 - 1 - HD3 LYS 96 - HE3 LYS 115 lone 0 98 - 0 - HD3 LYS 96 - HE2 LYS 115 lone 0 98 - 0 - HD2 LYS 96 - HE3 LYS 115 lone 0 95 - 0 - HD2 LYS 96 - HE2 LYS 115 lone 0 95 - 0 - HG12 ILE 71 - HE3 LYS 16 lone 0 99 - 0 - HG12 ILE 71 - HE2 LYS 16 lone 0 99 - 0 - HD3 LYS 44 - HE3 LYS 94 lone 0 70 - 1 - HD3 LYS 96 - HE3 LYS 17 lone 0 78 - 0 - HD3 LYS 39 - HE3 LYS 16 lone 0 73 - 0 - HD3 LYS 39 - HE2 LYS 16 lone 0 73 - 0 - HG3 LYS 39 - HE3 LYS 115 lone 0 92 - 0 - HG3 LYS 39 - HE2 LYS 115 lone 0 92 - 0 - HD2 LYS 96 - HE3 LYS 17 lone 0 75 - 0 - HD3 LYS 16 - HE3 LYS 94 lone 0 93 - 0 - HD3 LYS 43 - HE3 LYS 17 lone 0 80 - 0 - HD2 LYS 16 - HE3 LYS 94 lone 0 92 - 0 - HG3 LYS 39 - HE2 LYS 65 lone 0 84 - 0 - HG3 LYS 39 - HE3 LYS 65 lone 0 84 - 0 - HB ILE 54 - HE2 LYS 115 lone 0 97 - 0 - HB ILE 54 - HE3 LYS 115 lone 0 97 - 0 - HD2 LYS 17 - HE2 LYS 65 lone 0 89 - 0 - HD2 LYS 17 - HE3 LYS 65 lone 0 89 - 0 - HD2 LYS 39 - HE2 LYS 16 lone 0 70 - 0 - HD2 LYS 39 - HE3 LYS 16 lone 0 70 - 0 - HD2 LYS 20 - HE3 LYS 94 lone 0 93 - 0 - HD3 LYS 20 - HE3 LYS 94 lone 0 93 - 0 - HB ILE 56 - HE3 LYS 16 lone 0 100 - 0 - HB ILE 56 - HE2 LYS 16 lone 0 100 - 0 - HD2 LYS 40 - HE3 LYS 94 lone 0 88 - 0 - HD3 LYS 40 - HE3 LYS 94 lone 0 86 - 0 - HD2 LYS 20 - HE2 LYS 65 lone 0 96 - 0 - HD2 LYS 20 - HE3 LYS 65 lone 0 96 - 0 - HD2 LYS 43 - HE3 LYS 17 lone 0 71 - 0 - HD3 LYS 20 - HE2 LYS 65 lone 0 95 - 0 - HD3 LYS 20 - HE3 LYS 65 lone 0 95 - 0 - HD2 LYS 20 - HE2 LYS 115 lone 0 100 - 0 - HD2 LYS 20 - HE3 LYS 115 lone 0 100 - 0 - HD3 LYS 20 - HE3 LYS 115 lone 0 100 - 0 - HD3 LYS 20 - HE2 LYS 115 lone 0 100 - 0 - HD3 LYS 43 - HE2 LYS 65 lone 0 93 - 0 - HD3 LYS 43 - HE3 LYS 65 lone 0 93 - 0 - HD2 LYS 73 - HE3 LYS 17 lone 0 81 - 0 - HB ILE 56 - HE2 LYS 65 lone 0 96 - 0 - HB ILE 56 - HE3 LYS 65 lone 0 96 - 0 - HD3 LYS 73 - HE3 LYS 17 lone 0 80 - 0 - HD3 LYS 39 - HE3 LYS 94 lone 0 63 - 0 - HD2 LYS 73 - HE2 LYS 65 lone 0 94 - 0 - HD2 LYS 73 - HE3 LYS 65 lone 0 94 - 0 - HD3 LYS 73 - HE3 LYS 65 lone 0 93 - 0 - HD3 LYS 73 - HE2 LYS 65 lone 0 93 - 0 - HD2 LYS 39 - HE3 LYS 94 lone 0 60 - 0 - HD2 LYS 44 - HE3 LYS 115 lone 0 87 - 0 - HD2 LYS 44 - HE2 LYS 115 lone 0 87 - 0 - HD2 LYS 43 - HE3 LYS 65 lone 0 84 - 0 - HD2 LYS 43 - HE2 LYS 65 lone 0 84 - 0 - HB ILE 56 - HE3 LYS 115 lone 0 100 - 0 - HB ILE 56 - HE2 LYS 115 lone 0 100 - 0 - HG3 ARG 95 - HE3 LYS 94 lone 0 73 - 0 - HD2 LYS 44 - HE3 LYS 17 lone 0 66 - 0 - HG3 LYS 39 - HE3 LYS 17 lone 0 71 - 0 - HG LEU 74 - HE2 LYS 115 lone 0 77 - 0 - HG LEU 74 - HE3 LYS 115 lone 0 77 - 0 - HD3 LYS 44 - HE2 LYS 115 lone 0 80 - 0 - HD3 LYS 44 - HE3 LYS 115 lone 0 80 - 0 - HD3 LYS 43 - HE3 LYS 115 lone 0 99 - 0 - HD3 LYS 43 - HE2 LYS 115 lone 0 99 - 0 - HD2 LYS 73 - HE2 LYS 115 lone 0 99 - 0 - HD2 LYS 73 - HE3 LYS 115 lone 0 99 - 0 - HD3 LYS 73 - HE3 LYS 115 lone 0 99 - 0 - HD3 LYS 73 - HE2 LYS 115 lone 0 99 - 0 - HG12 ILE 71 - HE3 LYS 94 lone 0 91 - 0 - HD2 LYS 73 - HE3 LYS 94 lone 0 92 - 0 - HG3 ARG 95 - HE2 LYS 65 lone 0 76 - 0 - HG3 ARG 95 - HE3 LYS 65 lone 0 76 - 0 - HD3 LYS 73 - HE3 LYS 94 lone 0 91 - 0 - HD3 LYS 44 - HE3 LYS 17 lone 0 60 - 0 - HB ILE 54 - HE3 LYS 17 lone 0 77 - 0 - HD2 LYS 43 - HE3 LYS 115 lone 0 92 - 0 - HD2 LYS 43 - HE2 LYS 115 lone 0 92 - 0 - HG3 ARG 95 - HE3 LYS 115 lone 0 84 - 0 - HG3 ARG 95 - HE2 LYS 115 lone 0 84 - 0 - HD3 LYS 39 - HE3 LYS 65 lone 0 66 - 0 - HD3 LYS 39 - HE2 LYS 65 lone 0 66 - 0 - HD3 LYS 39 - HE2 LYS 115 lone 0 73 - 0 - HD3 LYS 39 - HE3 LYS 115 lone 0 73 - 0 - HD2 LYS 17 - HE3 LYS 94 lone 0 86 - 0 - HD2 LYS 39 - HE2 LYS 65 lone 0 62 - 0 - HD2 LYS 39 - HE3 LYS 65 lone 0 62 - 0 - HD2 LYS 39 - HE3 LYS 115 lone 0 69 - 0 - HD2 LYS 39 - HE2 LYS 115 lone 0 69 - 0 - HG LEU 74 - HE3 LYS 94 lone 0 67 - 0 - HG LEU 74 - HE2 LYS 65 lone 0 70 - 0 - HG LEU 74 - HE3 LYS 65 lone 0 70 - 0 - HG3 ARG 95 - HE3 LYS 17 lone 0 63 - 0 - HD3 LYS 39 - HE3 LYS 17 lone 0 54 - 0 - HG LEU 74 - HE3 LYS 17 lone 0 57 - 0 - HD2 LYS 39 - HE3 LYS 17 lone 0 51 - 0 - Peak 2808 from cnoeabs.peaks (2.91, 2.91, 41.78 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HE3 LYS 16 + HE3 LYS 16 OK 100 100 - 100 HE2 LYS 16 + HE2 LYS 16 OK 100 100 - 100 HE2 LYS 115 + HE2 LYS 115 OK 100 100 - 100 HE3 LYS 115 + HE3 LYS 115 OK 100 100 - 100 HE3 LYS 65 + HE3 LYS 65 OK 92 92 - 100 HE2 LYS 65 + HE2 LYS 65 OK 92 92 - 100 HE3 LYS 94 + HE3 LYS 94 OK 88 88 - 100 HE3 LYS 17 + HE3 LYS 17 OK 71 71 - 100 Reference assignment not found: HE2 LYS 16 - HE3 LYS 16 Peak 2809 from cnoeabs.peaks (2.91, 2.91, 41.78 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: * HE3 LYS 16 + HE3 LYS 16 OK 100 100 - 100 HE2 LYS 16 + HE2 LYS 16 OK 100 100 - 100 HE2 LYS 115 + HE2 LYS 115 OK 100 100 - 100 HE3 LYS 115 + HE3 LYS 115 OK 100 100 - 100 HE3 LYS 65 + HE3 LYS 65 OK 92 92 - 100 HE2 LYS 65 + HE2 LYS 65 OK 92 92 - 100 HE3 LYS 94 + HE3 LYS 94 OK 88 88 - 100 HE3 LYS 17 + HE3 LYS 17 OK 71 71 - 100 Peak 2810 from cnoeabs.peaks (7.58, 3.99, 59.84 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 17 + HA LYS 17 OK 100 100 - 100 - 3.0=100 Peak 2811 from cnoeabs.peaks (3.99, 3.99, 59.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 17 + HA LYS 17 OK 100 100 - 100 Peak 2812 from cnoeabs.peaks (1.99, 3.99, 59.84 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 17 + HA LYS 17 OK 100 100 - 100 - 3.0=100 Peak 2813 from cnoeabs.peaks (1.92, 3.99, 59.84 ppm; 3.11 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 17 + HA LYS 17 OK 100 100 - 100 - 3.0=100 Peak 2814 from cnoeabs.peaks (1.75, 3.99, 59.84 ppm; 3.76 A): 1 out of 11 assignments used, quality = 0.98: * HG2 LYS 17 + HA LYS 17 OK 98 100 - 98 - 3.9=87, 1.8/2815=27...(21) HB2 LEU 114 - HA LYS 17 OK 22 57 - 38 - 1.8/8241=6, ~10915=5...(13) HG12 ILE 18 - HA LYS 17 OK 21 92 - 23 - 1126/3.6=15, 1116/3.0=4...(4) HB2 LEU 80 - HA LYS 17 OK 11 100 - 11 - ~11475=3, 3.0/2815=2...(6) HD3 LYS 123 - HA LYS 17 lone 5 97 - 5 - 1116/3.0=1 HB2 LEU 55 - HA LYS 17 lone 5 98 - 5 - 1126/3.6=1, ~11245=1 HB3 LEU 82 - HA LYS 17 lone 5 61 - 8 - ~11475=3, ~11473=2 HB2 LEU 68 - HA LYS 17 lone 2 96 - 2 - HG3 ARG 105 - HA LYS 17 lone 1 100 - 1 - HB3 LYS 49 - HA LYS 17 lone 1 100 - 1 - HB3 LYS 94 - HA LYS 17 lone 0 57 - 1 - Peak 2815 from cnoeabs.peaks (1.43, 3.99, 59.84 ppm; 3.54 A): 1 out of 11 assignments used, quality = 0.94: * HG3 LYS 17 + HA LYS 17 OK 94 100 - 94 - 3.9=72, 1.8/2814=19...(21) HG12 ILE 56 - HA LYS 17 lone 9 100 - 9 - ~10915=3, ~10914=2...(4) HG LEU 80 - HA LYS 17 lone 8 87 - 9 - ~11475=4, ~11473=2, 3.0/2814=2 HB2 LEU 4 - HA LYS 17 lone 5 96 - 5 - HB3 LEU 4 - HA LYS 17 lone 5 96 - 5 - QB ALA 113 - HA LYS 17 lone 5 61 - 8 - 3.7/2191=2, 97/3.6=1, 10428=1 HG2 LYS 96 - HA LYS 17 lone 4 90 - 5 - HB3 GLN 83 - HA LYS 17 lone 3 94 - 3 - 11517/2665=1 HG3 LYS 44 - HA LYS 17 lone 2 94 - 2 - HB3 LEU 63 - HA LYS 17 lone 2 100 - 2 - HB3 LYS 61 - HA LYS 17 lone 1 100 - 1 - Peak 2816 from cnoeabs.peaks (1.68, 3.99, 59.84 ppm; 3.78 A): 5 out of 19 assignments used, quality = 1.00: * HD2 LYS 17 + HA LYS 17 OK 94 100 - 94 - 4.8=48, 2862/3.0=28...(20) HD2 LYS 16 + HA LYS 17 OK 49 99 - 50 - ~7368=8, ~7369=8...(12) HD3 LYS 16 + HA LYS 17 OK 48 96 - 50 - ~7368=8, ~7369=8...(12) HD3 LYS 20 + HA LYS 17 OK 47 98 - 48 - 3.0/11542=10...(14) HD2 LYS 20 + HA LYS 17 OK 47 97 - 48 - 3.0/11542=10...(14) HD3 LYS 40 - HA LYS 17 OK 16 100 - 16 - 7370/3.0=3, ~86=3...(8) HD2 LYS 40 - HA LYS 17 OK 16 100 - 16 - 7370/3.0=3, ~86=3...(8) HB ILE 56 - HA LYS 17 lone 9 96 - 9 - ~10915=2, 2.9/2815=2...(4) HD2 LYS 96 - HA LYS 17 lone 6 100 - 5 - HD3 LYS 96 - HA LYS 17 lone 6 100 - 5 - HD3 LYS 43 - HA LYS 17 lone 6 100 - 6 - HD2 LYS 43 - HA LYS 17 lone 5 100 - 5 - HD3 LYS 73 - HA LYS 17 lone 5 100 - 5 - HD2 LYS 73 - HA LYS 17 lone 5 99 - 5 - HG3 LYS 123 - HA LYS 17 lone 3 65 - 5 - HG12 ILE 71 - HA LYS 17 lone 3 84 - 3 - ~10915=1 HG3 ARG 95 - HA LYS 17 lone 2 99 - 2 - HB ILE 54 - HA LYS 17 lone 1 100 - 1 - HG3 LYS 39 - HA LYS 17 lone 1 65 - 1 - Peak 2817 from cnoeabs.peaks (1.52, 3.99, 59.84 ppm; 4.15 A): 2 out of 11 assignments used, quality = 0.98: * HD3 LYS 17 + HA LYS 17 OK 97 100 - 97 - 4.8=64, 3.0/2815=24...(21) HG2 LYS 20 + HA LYS 17 OK 55 90 - 62 - 4.9/7995=16...(15) HB3 LEU 14 - HA LYS 17 OK 25 61 - 41 - ~7977=11, 3.1/2665=10...(9) HG2 LYS 43 - HA LYS 17 lone 6 99 - 6 - 1143/7995=1 HB2 LYS 61 - HA LYS 17 lone 2 100 - 2 - HG LEU 6 - HA LYS 17 lone 2 100 - 2 - QB ALA 124 - HA LYS 17 lone 2 84 - 2 - HG LEU 38 - HA LYS 17 lone 1 99 - 1 - HB2 LEU 6 - HA LYS 17 lone 1 94 - 1 - HB3 ARG 30 - HA LYS 17 lone 1 100 - 1 - HG2 ARG 30 - HA LYS 17 lone 0 57 - 1 - Peak 2820 from cnoeabs.peaks (7.58, 1.99, 33.06 ppm; 4.20 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 17 + HB2 LYS 17 OK 100 100 - 100 - 4.0=100 Peak 2821 from cnoeabs.peaks (3.99, 1.99, 33.06 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 17 + HB2 LYS 17 OK 100 100 - 100 - 3.0=100 Peak 2822 from cnoeabs.peaks (1.99, 1.99, 33.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 17 + HB2 LYS 17 OK 100 100 - 100 Peak 2823 from cnoeabs.peaks (1.92, 1.99, 33.06 ppm; 2.86 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 17 + HB2 LYS 17 OK 100 100 - 100 - 1.8=100 Peak 2824 from cnoeabs.peaks (1.75, 1.99, 33.06 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 17 + HB2 LYS 17 OK 100 100 - 100 - 3.0=100 Peak 2825 from cnoeabs.peaks (1.43, 1.99, 33.06 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 17 + HB2 LYS 17 OK 100 100 - 100 - 3.0=100 Peak 2826 from cnoeabs.peaks (1.68, 1.99, 33.06 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 17 + HB2 LYS 17 OK 100 100 - 100 - 3.7=100 Peak 2827 from cnoeabs.peaks (1.52, 1.99, 33.06 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 17 + HB2 LYS 17 OK 100 100 - 100 - 3.7=100 Peak 2828 from cnoeabs.peaks (2.85, 1.99, 33.06 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 17 + HB2 LYS 17 OK 100 100 - 100 - 4.9=100 Peak 2830 from cnoeabs.peaks (7.58, 1.92, 33.06 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 17 + HB3 LYS 17 OK 100 100 - 100 - 4.0=100 Peak 2831 from cnoeabs.peaks (3.99, 1.92, 33.06 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 17 + HB3 LYS 17 OK 100 100 - 100 - 3.0=100 Peak 2832 from cnoeabs.peaks (1.99, 1.92, 33.06 ppm; 2.89 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 17 + HB3 LYS 17 OK 100 100 - 100 - 1.8=100 Peak 2833 from cnoeabs.peaks (1.92, 1.92, 33.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 17 + HB3 LYS 17 OK 100 100 - 100 Peak 2834 from cnoeabs.peaks (1.75, 1.92, 33.06 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 17 + HB3 LYS 17 OK 100 100 - 100 - 3.0=100 Peak 2835 from cnoeabs.peaks (1.43, 1.92, 33.06 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 17 + HB3 LYS 17 OK 100 100 - 100 - 3.0=100 Peak 2836 from cnoeabs.peaks (1.68, 1.92, 33.06 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 17 + HB3 LYS 17 OK 100 100 - 100 - 3.7=100 Peak 2837 from cnoeabs.peaks (1.52, 1.92, 33.06 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 17 + HB3 LYS 17 OK 100 100 - 100 - 3.7=100 Peak 2838 from cnoeabs.peaks (2.85, 1.92, 33.06 ppm; 6.06 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 17 + HB3 LYS 17 OK 100 100 - 100 - 4.9=100 Peak 2840 from cnoeabs.peaks (7.58, 1.75, 25.82 ppm; 4.20 A): 2 out of 3 assignments used, quality = 0.99: * H LYS 17 + HG2 LYS 17 OK 96 100 - 96 - 4.9=61, 1117/1.8=31...(16) H LEU 14 + HG2 LYS 17 OK 65 98 - 66 - 2850/1.8=15...(12) HE ARG 105 - HG2 LYS 17 lone 1 73 - 1 - Peak 2841 from cnoeabs.peaks (3.99, 1.75, 25.82 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 17 + HG2 LYS 17 OK 100 100 - 100 - 3.9=100 Peak 2842 from cnoeabs.peaks (1.99, 1.75, 25.82 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 17 + HG2 LYS 17 OK 100 100 - 100 - 3.0=100 Peak 2843 from cnoeabs.peaks (1.92, 1.75, 25.82 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 17 + HG2 LYS 17 OK 100 100 - 100 - 3.0=100 Peak 2844 from cnoeabs.peaks (1.75, 1.75, 25.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 17 + HG2 LYS 17 OK 100 100 - 100 Peak 2845 from cnoeabs.peaks (1.43, 1.75, 25.82 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 17 + HG2 LYS 17 OK 100 100 - 100 - 1.8=100 Peak 2846 from cnoeabs.peaks (1.68, 1.75, 25.82 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 17 + HG2 LYS 17 OK 100 100 - 100 - 3.0=100 Peak 2847 from cnoeabs.peaks (1.52, 1.75, 25.82 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 17 + HG2 LYS 17 OK 100 100 - 100 - 3.0=100 Peak 2848 from cnoeabs.peaks (2.85, 1.75, 25.82 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 17 + HG2 LYS 17 OK 100 100 - 100 - 3.8=100 Peak 2849 from cnoeabs.peaks (2.90, 1.75, 25.82 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 17 + HG2 LYS 17 OK 100 100 - 100 - 3.8=100 Peak 2850 from cnoeabs.peaks (7.58, 1.43, 25.82 ppm; 4.31 A): 2 out of 3 assignments used, quality = 0.99: * H LYS 17 + HG3 LYS 17 OK 97 100 - 97 - 4.9=67, 1116/1.8=31...(15) H LEU 14 + HG3 LYS 17 OK 70 98 - 72 - 2840/1.8=16, 9162/3.0=13...(12) HE ARG 105 - HG3 LYS 17 lone 1 73 - 2 - Peak 2851 from cnoeabs.peaks (3.99, 1.43, 25.82 ppm; 3.84 A): 2 out of 8 assignments used, quality = 1.00: * HA LYS 17 + HG3 LYS 17 OK 99 100 - 99 - 3.9=93, 2814/1.8=22...(21) HA LEU 14 + HG3 LYS 17 OK 68 97 - 71 - 7977/3.0=19...(15) HA GLU 111 - HG3 LYS 17 OK 12 99 - 13 - 11423/10918=3...(5) HA GLU 112 - HG3 LYS 17 lone 8 99 - 8 - 3.0/10398=2, 8245/3.0=1 HB3 SER 99 - HG3 LYS 17 lone 5 99 - 5 - HB2 SER 99 - HG3 LYS 17 lone 5 99 - 5 - HA3 GLY 101 - HG3 LYS 17 lone 1 70 - 1 - HA3 GLY 75 - HG3 LYS 17 lone 0 57 - 1 - Peak 2852 from cnoeabs.peaks (1.99, 1.43, 25.82 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 17 + HG3 LYS 17 OK 100 100 - 100 - 3.0=100 Peak 2853 from cnoeabs.peaks (1.92, 1.43, 25.82 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 17 + HG3 LYS 17 OK 100 100 - 100 - 3.0=100 Peak 2854 from cnoeabs.peaks (1.75, 1.43, 25.82 ppm; 3.22 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 17 + HG3 LYS 17 OK 100 100 - 100 - 1.8=100 Peak 2855 from cnoeabs.peaks (1.43, 1.43, 25.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 17 + HG3 LYS 17 OK 100 100 - 100 Peak 2856 from cnoeabs.peaks (1.68, 1.43, 25.82 ppm; 3.25 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 17 + HG3 LYS 17 OK 100 100 - 100 - 3.0=100 Peak 2857 from cnoeabs.peaks (1.52, 1.43, 25.82 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 17 + HG3 LYS 17 OK 100 100 - 100 - 3.0=100 Peak 2858 from cnoeabs.peaks (2.85, 1.43, 25.82 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 17 + HG3 LYS 17 OK 100 100 - 100 - 3.8=100 Peak 2859 from cnoeabs.peaks (2.90, 1.43, 25.82 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 17 + HG3 LYS 17 OK 100 100 - 100 - 3.8=100 Peak 2860 from cnoeabs.peaks (7.58, 1.68, 29.70 ppm; 4.56 A): 2 out of 3 assignments used, quality = 0.99: * H LYS 17 + HD2 LYS 17 OK 95 100 - 95 - 6.3=39, 4.0/2862=29...(18) H LEU 14 + HD2 LYS 17 OK 72 98 - 74 - 2870/1.8=15, 2850/3.0=14...(13) HE ARG 105 - HD2 LYS 17 lone 1 73 - 2 - Peak 2861 from cnoeabs.peaks (3.99, 1.68, 29.70 ppm; 4.03 A): 2 out of 8 assignments used, quality = 0.99: * HA LYS 17 + HD2 LYS 17 OK 97 100 - 97 - 4.8=59, 3.0/2862=31...(20) HA LEU 14 + HD2 LYS 17 OK 69 97 - 71 - 7977/3.7=18...(13) HA GLU 111 - HD2 LYS 17 OK 12 99 - 12 - 11423/10919=3...(4) HA GLU 112 - HD2 LYS 17 lone 7 99 - 7 - 2871/1.8=1, ~10398=1...(4) HB3 SER 99 - HD2 LYS 17 lone 7 99 - 7 - 2871/1.8=1 HB2 SER 99 - HD2 LYS 17 lone 7 99 - 7 - 2871/1.8=1 HA3 GLY 101 - HD2 LYS 17 lone 1 70 - 1 - HA3 GLY 75 - HD2 LYS 17 lone 1 57 - 1 - Peak 2862 from cnoeabs.peaks (1.99, 1.68, 29.70 ppm; 3.34 A): 1 out of 4 assignments used, quality = 0.95: * HB2 LYS 17 + HD2 LYS 17 OK 95 100 - 95 - 3.7=75, 1.8/2863=26...(19) HB2 LYS 40 - HD2 LYS 17 lone 7 100 - 7 - 2882/2.9=2, 1114/6.3=1 HB VAL 22 - HD2 LYS 17 lone 7 94 - 8 - 2.1/11478=2, 2882/2.9=2 HB3 GLU 103 - HD2 LYS 17 lone 1 98 - 1 - Peak 2863 from cnoeabs.peaks (1.92, 1.68, 29.70 ppm; 3.09 A): 2 out of 16 assignments used, quality = 0.91: * HB3 LYS 17 + HD2 LYS 17 OK 89 100 - 89 - 3.7=59, 1.8/2862=26...(18) HB ILE 15 + HD2 LYS 17 OK 19 97 - 20 - 2.1/11478=5, ~11480=4...(6) HB2 LYS 115 - HD2 LYS 17 lone 4 98 - 4 - HB3 LYS 123 - HD2 LYS 17 lone 3 96 - 4 - HB3 LYS 115 - HD2 LYS 17 lone 3 87 - 4 - HB2 LYS 123 - HD2 LYS 17 lone 3 87 - 3 - HB3 LYS 65 - HD2 LYS 17 lone 2 90 - 2 - HB2 LYS 65 - HD2 LYS 17 lone 2 87 - 2 - HB2 LEU 45 - HD2 LYS 17 lone 2 65 - 2 - HB2 LYS 43 - HD2 LYS 17 lone 1 77 - 2 - HB2 LYS 44 - HD2 LYS 17 lone 1 90 - 2 - HG2 MET 121 - HD2 LYS 17 lone 1 99 - 1 - HB3 LYS 44 - HD2 LYS 17 lone 1 73 - 1 - HB2 LYS 39 - HD2 LYS 17 lone 1 87 - 1 - HB2 LEU 81 - HD2 LYS 17 lone 1 100 - 1 - HB2 LEU 127 - HD2 LYS 17 lone 0 90 - 1 - Peak 2864 from cnoeabs.peaks (1.75, 1.68, 29.70 ppm; 2.80 A): 2 out of 11 assignments used, quality = 0.94: * HG2 LYS 17 + HD2 LYS 17 OK 93 100 - 93 - 3.0=85, 3.0/2862=16...(10) HB2 LEU 114 + HD2 LYS 17 OK 13 57 - 22 - 3.1/10919=5, ~11514=4...(9) HB3 LEU 82 - HD2 LYS 17 lone 5 61 - 9 - ~9964=2, 3.1/11477=2...(5) HB2 LEU 80 - HD2 LYS 17 lone 5 100 - 5 - 3.1/11477=1, 3.1/11477=1 HG12 ILE 18 - HD2 LYS 17 lone 4 92 - 5 - 11710/10919=1, 2814/4.8=1 HD3 LYS 123 - HD2 LYS 17 lone 3 97 - 3 - HB2 LEU 55 - HD2 LYS 17 lone 2 98 - 2 - HB2 LEU 68 - HD2 LYS 17 lone 1 96 - 1 - HG3 ARG 105 - HD2 LYS 17 lone 0 100 - 0 - HB3 LYS 49 - HD2 LYS 17 lone 0 100 - 0 - HB3 LYS 94 - HD2 LYS 17 lone 0 57 - 1 - Peak 2865 from cnoeabs.peaks (1.43, 1.68, 29.70 ppm; 3.25 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 17 + HD2 LYS 17 OK 100 100 - 100 - 3.0=100 Peak 2866 from cnoeabs.peaks (1.68, 1.68, 29.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 17 + HD2 LYS 17 OK 100 100 - 100 Peak 2867 from cnoeabs.peaks (1.52, 1.68, 29.70 ppm; 2.62 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 17 + HD2 LYS 17 OK 100 100 - 100 - 1.8=100 Peak 2868 from cnoeabs.peaks (2.85, 1.68, 29.70 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 17 + HD2 LYS 17 OK 100 100 - 100 - 2.9=100 Peak 2869 from cnoeabs.peaks (2.90, 1.68, 29.70 ppm; 3.35 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 17 + HD2 LYS 17 OK 100 100 - 100 - 2.9=100 Peak 2870 from cnoeabs.peaks (7.58, 1.52, 29.70 ppm; 5.02 A): 2 out of 3 assignments used, quality = 0.99: * H LYS 17 + HD3 LYS 17 OK 97 100 - 97 - 6.3=52, 1114/3.7=33...(14) H LEU 14 + HD3 LYS 17 OK 77 98 - 78 - 2860/1.8=19, 2850/3.0=17...(13) HE ARG 105 - HD3 LYS 17 lone 2 73 - 2 - Peak 2871 from cnoeabs.peaks (3.99, 1.52, 29.70 ppm; 4.16 A): 2 out of 8 assignments used, quality = 0.99: * HA LYS 17 + HD3 LYS 17 OK 97 100 - 97 - 4.8=65, 2815/3.0=24...(21) HA LEU 14 + HD3 LYS 17 OK 67 97 - 69 - 7977/3.7=19...(12) HA GLU 111 - HD3 LYS 17 OK 15 99 - 16 - 11423/11514=4...(5) HA GLU 112 - HD3 LYS 17 lone 8 99 - 8 - 2861/1.8=1, ~10398=1...(5) HB3 SER 99 - HD3 LYS 17 lone 7 99 - 7 - 2861/1.8=1 HB2 SER 99 - HD3 LYS 17 lone 7 99 - 7 - 2861/1.8=1 HA3 GLY 101 - HD3 LYS 17 lone 1 70 - 1 - HA3 GLY 75 - HD3 LYS 17 lone 1 57 - 1 - Peak 2872 from cnoeabs.peaks (1.99, 1.52, 29.70 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 17 + HD3 LYS 17 OK 100 100 - 100 - 3.7=100 Peak 2873 from cnoeabs.peaks (1.92, 1.52, 29.70 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 17 + HD3 LYS 17 OK 100 100 - 100 - 3.7=100 Peak 2874 from cnoeabs.peaks (1.75, 1.52, 29.70 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 17 + HD3 LYS 17 OK 100 100 - 100 - 3.0=100 Peak 2875 from cnoeabs.peaks (1.43, 1.52, 29.70 ppm; 3.46 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 17 + HD3 LYS 17 OK 100 100 - 100 - 3.0=100 Peak 2876 from cnoeabs.peaks (1.68, 1.52, 29.70 ppm; 2.71 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 17 + HD3 LYS 17 OK 100 100 - 100 - 1.8=100 Peak 2877 from cnoeabs.peaks (1.52, 1.52, 29.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 17 + HD3 LYS 17 OK 100 100 - 100 Peak 2878 from cnoeabs.peaks (2.85, 1.52, 29.70 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 17 + HD3 LYS 17 OK 100 100 - 100 - 2.9=100 Peak 2879 from cnoeabs.peaks (2.90, 1.52, 29.70 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 17 + HD3 LYS 17 OK 100 100 - 100 - 2.9=100 Peak 2881 from cnoeabs.peaks (3.99, 2.85, 41.78 ppm; 6.20 A): 2 out of 8 assignments used, quality = 1.00: * HA LYS 17 + HE2 LYS 17 OK 100 100 - 100 - 6.5=87, 3.0/2882=37...(22) HA LEU 14 + HE2 LYS 17 OK 83 97 - 86 - 10769=39, 7977/4.9=29...(10) HA GLU 111 - HE2 LYS 17 OK 15 99 - 15 - 2871/2.9=4, 2851/3.8=3...(5) HB3 SER 99 - HE2 LYS 17 OK 11 99 - 11 - 2871/2.9=2, 2861/2.9=2...(5) HB2 SER 99 - HE2 LYS 17 OK 11 99 - 11 - 2871/2.9=2, 2861/2.9=2...(5) HA GLU 112 - HE2 LYS 17 OK 10 99 - 10 - 2851/3.8=2, 2871/2.9=2...(4) HA3 GLY 101 - HE2 LYS 17 lone 2 70 - 2 - HA3 GLY 75 - HE2 LYS 17 lone 2 57 - 3 - Peak 2882 from cnoeabs.peaks (1.99, 2.85, 41.78 ppm; 4.67 A): 1 out of 4 assignments used, quality = 0.99: * HB2 LYS 17 + HE2 LYS 17 OK 99 100 - 99 - 4.9=87, 2862/2.9=38...(21) HB2 LYS 40 - HE2 LYS 17 OK 12 100 - 12 - 2862/2.9=3, 1114/7.2=2 HB VAL 22 - HE2 LYS 17 OK 12 94 - 12 - 2862/2.9=3, ~11480=2...(6) HB3 GLU 103 - HE2 LYS 17 lone 1 98 - 1 - Peak 2883 from cnoeabs.peaks (1.92, 2.85, 41.78 ppm; 4.40 A): 1 out of 16 assignments used, quality = 0.97: * HB3 LYS 17 + HE2 LYS 17 OK 97 100 - 97 - 4.9=73, 2863/2.9=28...(17) HB ILE 15 - HE2 LYS 17 OK 27 97 - 28 - ~11480=7, 2863/2.9=6...(9) HB2 LYS 115 - HE2 LYS 17 lone 8 98 - 8 - 2863/2.9=1 HB3 LYS 115 - HE2 LYS 17 lone 7 87 - 8 - 2863/2.9=1 HB3 LYS 123 - HE2 LYS 17 lone 5 96 - 5 - 2863/2.9=1 HB2 LYS 123 - HE2 LYS 17 lone 4 87 - 5 - HB3 LYS 65 - HE2 LYS 17 lone 3 90 - 4 - HB2 LYS 65 - HE2 LYS 17 lone 3 87 - 4 - HB2 LEU 45 - HE2 LYS 17 lone 3 65 - 4 - ~9437=1 HB2 LYS 44 - HE2 LYS 17 lone 2 90 - 3 - HB2 LYS 43 - HE2 LYS 17 lone 2 77 - 3 - HG2 MET 121 - HE2 LYS 17 lone 2 99 - 2 - HB3 LYS 44 - HE2 LYS 17 lone 2 73 - 3 - HB2 LYS 39 - HE2 LYS 17 lone 2 87 - 2 - HB2 LEU 81 - HE2 LYS 17 lone 2 100 - 2 - HB2 LEU 127 - HE2 LYS 17 lone 1 90 - 1 - Peak 2884 from cnoeabs.peaks (1.75, 2.85, 41.78 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 17 + HE2 LYS 17 OK 100 100 - 100 - 3.8=100 Peak 2885 from cnoeabs.peaks (1.43, 2.85, 41.78 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 17 + HE2 LYS 17 OK 100 100 - 100 - 3.8=100 Peak 2886 from cnoeabs.peaks (1.68, 2.85, 41.78 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 17 + HE2 LYS 17 OK 100 100 - 100 - 2.9=100 Peak 2887 from cnoeabs.peaks (1.52, 2.85, 41.78 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 17 + HE2 LYS 17 OK 100 100 - 100 - 2.9=100 Peak 2888 from cnoeabs.peaks (2.85, 2.85, 41.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 17 + HE2 LYS 17 OK 100 100 - 100 Peak 2889 from cnoeabs.peaks (2.90, 2.85, 41.78 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 17 + HE2 LYS 17 OK 100 100 - 100 - 1.8=100 Peak 2891 from cnoeabs.peaks (3.99, 2.90, 41.78 ppm; 6.20 A): 6 out of 40 assignments used, quality = 1.00: * HA LYS 17 + HE3 LYS 17 OK 100 100 - 100 - 6.5=87, 2815/3.8=33...(19) HA LEU 14 + HE3 LYS 17 OK 82 97 - 85 - 10769/1.8=36...(9) HA GLU 112 + HE2 LYS 115 OK 54 84 - 65 - 8244/7.2=16, 8247/4.8=15...(8) HA GLU 112 + HE3 LYS 115 OK 54 84 - 65 - 8244/7.2=16, 8247/4.8=15...(8) HA LYS 17 + HE3 LYS 16 OK 45 83 - 55 - 7998/5.1=9, 7996/5.1=9...(13) HA LYS 17 + HE2 LYS 16 OK 45 83 - 55 - 7998/5.1=9, 7996/5.1=9...(13) HA GLU 111 - HE3 LYS 17 OK 21 99 - 21 - 11422/11218=6...(6) HA GLU 111 - HE3 LYS 115 OK 19 85 - 22 - 2196/7.2=5, 11192/3.0=4...(8) HA GLU 111 - HE2 LYS 115 OK 19 85 - 22 - 2196/7.2=5, 11192/3.0=4...(8) HA LEU 14 - HE3 LYS 16 OK 15 77 - 20 - ~9161=8, ~7371=4, ~7370=4 HA LEU 14 - HE2 LYS 16 OK 15 77 - 20 - ~9161=8, ~7371=4, ~7370=4 HB3 SER 99 - HE3 LYS 17 OK 14 99 - 13 - 2881/1.8=2, 2871/2.9=2...(7) HB2 SER 99 - HE3 LYS 17 OK 14 99 - 13 - 2881/1.8=2, 2871/2.9=2...(7) HA GLU 112 - HE3 LYS 17 OK 12 99 - 13 - 2851/3.8=2, 2871/2.9=2...(6) HB2 SER 99 - HE2 LYS 115 OK 12 85 - 15 - 10460/3.7=3, 10462/3.7=3...(5) HB2 SER 99 - HE3 LYS 115 OK 12 85 - 15 - 10460/3.7=3, 10462/3.7=3...(5) HB3 SER 99 - HE2 LYS 115 OK 12 85 - 15 - 10460/3.7=3, 10462/3.7=3...(5) HB3 SER 99 - HE3 LYS 115 OK 12 85 - 15 - 10460/3.7=3, 10462/3.7=3...(5) HA LYS 17 - HE2 LYS 115 OK 12 87 - 13 - 2196/7.2=2, 10462/3.7=1...(5) HA LYS 17 - HE3 LYS 115 OK 12 87 - 13 - 2196/7.2=2, 10462/3.7=1...(5) HA LEU 14 - HE2 LYS 115 lone 6 81 - 7 - 7979/4.8=1, 7979/4.8=1 HA LEU 14 - HE3 LYS 115 lone 6 81 - 7 - 7979/4.8=1, 7979/4.8=1 HA3 GLY 75 - HE3 LYS 16 poor 4 41 - 10 - ~466=3, ~2801=1, ~2791=1...(5) HA3 GLY 75 - HE2 LYS 16 poor 4 41 - 10 - ~466=3, ~2801=1, ~2791=1...(5) HA GLU 112 - HE3 LYS 16 lone 3 80 - 4 - 8244/7.4=1 HA GLU 112 - HE2 LYS 16 lone 3 80 - 4 - 8244/7.4=1 HA GLU 111 - HE2 LYS 16 lone 3 81 - 3 - HA GLU 111 - HE3 LYS 16 lone 3 81 - 3 - HA3 GLY 75 - HE2 LYS 115 lone 2 44 - 4 - HA3 GLY 75 - HE3 LYS 115 lone 2 44 - 4 - HB3 SER 99 - HE3 LYS 16 lone 2 81 - 2 - HB3 SER 99 - HE2 LYS 16 lone 2 81 - 2 - HB2 SER 99 - HE3 LYS 16 lone 2 81 - 2 - HB2 SER 99 - HE2 LYS 16 lone 2 81 - 2 - HA3 GLY 101 - HE3 LYS 17 lone 2 70 - 3 - HA3 GLY 101 - HE2 LYS 115 lone 2 54 - 3 - HA3 GLY 101 - HE3 LYS 115 lone 2 54 - 3 - HA3 GLY 75 - HE3 LYS 17 lone 2 57 - 3 - HA3 GLY 101 - HE2 LYS 16 lone 1 51 - 2 - HA3 GLY 101 - HE3 LYS 16 lone 1 51 - 2 - Peak 2892 from cnoeabs.peaks (1.99, 2.90, 41.78 ppm; 3.80 A): 3 out of 20 assignments used, quality = 0.96: * HB2 LYS 17 + HE3 LYS 17 OK 90 100 - 90 - 4.9=47, 2862/2.9=28...(16) HB2 LYS 40 + HE3 LYS 16 OK 39 82 - 49 - 3700/3.0=5, 3700/3.0=5...(27) HB2 LYS 40 + HE2 LYS 16 OK 39 82 - 49 - 3700/3.0=5, 3700/3.0=5...(27) HB2 LYS 17 - HE3 LYS 16 poor 9 83 - 10 - ~2816=2, 3.0/2895=1 HB2 LYS 17 - HE2 LYS 16 poor 9 83 - 10 - ~2816=2, 3.0/2895=1 HB2 LYS 40 - HE3 LYS 17 lone 8 100 - 8 - 2882/1.8=3, 2862/2.9=2 HB VAL 22 - HE3 LYS 17 lone 8 94 - 9 - 2882/1.8=2, 2862/2.9=2...(4) HB2 LYS 17 - HE3 LYS 115 lone 3 87 - 3 - HB2 LYS 17 - HE2 LYS 115 lone 3 87 - 3 - HB2 LYS 40 - HE3 LYS 115 lone 2 86 - 2 - HB2 LYS 40 - HE2 LYS 115 lone 2 86 - 2 - HB3 GLU 103 - HE3 LYS 17 lone 1 98 - 1 - HB3 GLU 103 - HE3 LYS 115 lone 1 83 - 1 - HB3 GLU 103 - HE2 LYS 115 lone 1 83 - 1 - HB3 GLU 103 - HE2 LYS 16 lone 1 78 - 1 - HB3 GLU 103 - HE3 LYS 16 lone 1 78 - 1 - HB VAL 22 - HE2 LYS 16 lone 0 73 - 1 - HB VAL 22 - HE3 LYS 16 lone 0 73 - 1 - HB VAL 22 - HE2 LYS 115 lone 0 77 - 0 - HB VAL 22 - HE3 LYS 115 lone 0 77 - 0 - Peak 2893 from cnoeabs.peaks (1.92, 2.90, 41.78 ppm; 3.34 A): 5 out of 80 assignments used, quality = 0.99: * HB3 LYS 17 + HE3 LYS 17 OK 81 100 - 81 - 4.9=32, 2863/2.9=19...(16) HB2 LYS 115 + HE2 LYS 115 OK 62 83 - 75 - 4.8=33, 3.0/6784=6...(55) HB2 LYS 115 + HE3 LYS 115 OK 62 83 - 75 - 4.8=33, 3.0/6784=6...(55) HB3 LYS 115 + HE3 LYS 115 OK 52 70 - 75 - 4.8=33, 3.0/6774=6...(51) HB3 LYS 115 + HE2 LYS 115 OK 52 70 - 75 - 4.8=33, 3.0/6774=6...(51) HB3 LYS 65 - HE2 LYS 115 OK 35 72 - 49 - ~4878=2, ~4868=2...(20) HB3 LYS 65 - HE3 LYS 115 OK 35 72 - 49 - ~4878=2, ~4868=2...(20) HB2 LYS 65 - HE2 LYS 115 OK 34 70 - 49 - ~4878=2, ~4868=2...(20) HB2 LYS 65 - HE3 LYS 115 OK 34 70 - 49 - ~4878=2, ~4868=2...(20) HB ILE 15 - HE3 LYS 17 OK 17 97 - 18 - 2863/2.9=4, ~11480=4...(7) HB3 LYS 17 - HE2 LYS 16 lone 7 83 - 8 - 1.8/2892=1, ~2816=1 HB3 LYS 17 - HE3 LYS 16 lone 7 83 - 8 - 1.8/2892=1, ~2816=1 HB2 LYS 115 - HE3 LYS 16 lone 5 78 - 7 - HB2 LYS 115 - HE2 LYS 16 lone 5 78 - 7 - HB2 LYS 115 - HE3 LYS 17 lone 5 98 - 5 - HB3 LYS 115 - HE3 LYS 16 lone 4 66 - 6 - HB3 LYS 115 - HE2 LYS 16 lone 4 66 - 6 - HB3 LYS 115 - HE3 LYS 17 lone 4 87 - 5 - HB3 LYS 65 - HE2 LYS 16 lone 4 68 - 5 - HB3 LYS 65 - HE3 LYS 16 lone 4 68 - 5 - HB2 LYS 65 - HE2 LYS 16 lone 4 66 - 5 - HB2 LYS 65 - HE3 LYS 16 lone 4 66 - 5 - HB3 LYS 123 - HE3 LYS 17 lone 3 96 - 3 - HB2 LYS 123 - HE3 LYS 17 lone 3 87 - 3 - HB3 LYS 17 - HE2 LYS 115 lone 3 87 - 3 - HB3 LYS 17 - HE3 LYS 115 lone 3 87 - 3 - HB2 LYS 39 - HE3 LYS 16 lone 3 66 - 4 - HB2 LYS 39 - HE2 LYS 16 lone 3 66 - 4 - HB3 LYS 123 - HE2 LYS 16 lone 3 75 - 3 - HB3 LYS 123 - HE3 LYS 16 lone 3 75 - 3 - HB ILE 15 - HE2 LYS 16 lone 3 77 - 3 - 7360/7.4=3 HB ILE 15 - HE3 LYS 16 lone 3 77 - 3 - 7360/7.4=3 HB2 LEU 81 - HE3 LYS 115 lone 3 86 - 3 - HB2 LEU 81 - HE2 LYS 115 lone 3 86 - 3 - HB3 LYS 123 - HE3 LYS 115 lone 2 79 - 3 - HB3 LYS 123 - HE2 LYS 115 lone 2 79 - 3 - HB3 LYS 65 - HE3 LYS 17 lone 2 90 - 2 - HB2 LYS 65 - HE3 LYS 17 lone 2 87 - 2 - HB2 LYS 123 - HE3 LYS 16 lone 2 66 - 3 - HB2 LYS 123 - HE2 LYS 16 lone 2 66 - 3 - HB2 LYS 44 - HE3 LYS 17 lone 2 90 - 2 - HB2 LYS 123 - HE2 LYS 115 lone 2 70 - 3 - HB2 LYS 123 - HE3 LYS 115 lone 2 70 - 3 - HB2 LEU 45 - HE3 LYS 17 lone 2 65 - 2 - HB2 LYS 43 - HE3 LYS 17 lone 1 77 - 2 - HB3 LYS 44 - HE3 LYS 17 lone 1 73 - 2 - HB2 LYS 44 - HE2 LYS 16 lone 1 68 - 2 - HB2 LYS 44 - HE3 LYS 16 lone 1 68 - 2 - HB2 LEU 81 - HE3 LYS 17 lone 1 100 - 1 - HG2 MET 121 - HE3 LYS 17 lone 1 99 - 1 - HB3 LYS 44 - HE3 LYS 16 lone 1 54 - 2 - HB3 LYS 44 - HE2 LYS 16 lone 1 54 - 2 - HB2 LYS 39 - HE3 LYS 17 lone 1 87 - 1 - HB2 LEU 127 - HE3 LYS 17 lone 1 90 - 1 - HB2 LYS 39 - HE3 LYS 115 lone 1 70 - 1 - HB2 LYS 39 - HE2 LYS 115 lone 1 70 - 1 - HB2 LYS 43 - HE3 LYS 16 lone 1 57 - 1 - HB2 LYS 43 - HE2 LYS 16 lone 1 57 - 1 - HB ILE 15 - HE3 LYS 115 lone 1 81 - 1 - HB ILE 15 - HE2 LYS 115 lone 1 81 - 1 - HB2 LEU 81 - HE2 LYS 16 lone 1 82 - 1 - HB2 LEU 81 - HE3 LYS 16 lone 1 82 - 1 - HG2 MET 121 - HE3 LYS 115 lone 0 84 - 0 - HG2 MET 121 - HE2 LYS 115 lone 0 84 - 0 - HB2 LYS 44 - HE2 LYS 115 lone 0 72 - 0 - HB2 LYS 44 - HE3 LYS 115 lone 0 72 - 0 - HG2 MET 121 - HE3 LYS 16 lone 0 80 - 0 - HG2 MET 121 - HE2 LYS 16 lone 0 80 - 0 - HB2 LEU 127 - HE3 LYS 115 lone 0 72 - 0 - HB2 LEU 127 - HE2 LYS 115 lone 0 72 - 0 - HB2 LEU 127 - HE3 LYS 16 lone 0 68 - 0 - HB2 LEU 127 - HE2 LYS 16 lone 0 68 - 0 - HB3 LYS 44 - HE3 LYS 115 lone 0 57 - 0 - HB3 LYS 44 - HE2 LYS 115 lone 0 57 - 0 - HB2 LEU 45 - HE3 LYS 16 lone 0 47 - 1 - HB2 LEU 45 - HE2 LYS 16 lone 0 47 - 1 - HB2 LYS 43 - HE2 LYS 115 lone 0 61 - 0 - HB2 LYS 43 - HE3 LYS 115 lone 0 61 - 0 - HB2 LEU 45 - HE3 LYS 115 lone 0 50 - 0 - HB2 LEU 45 - HE2 LYS 115 lone 0 50 - 0 - Peak 2894 from cnoeabs.peaks (1.75, 2.90, 41.78 ppm; 3.64 A): 1 out of 55 assignments used, quality = 0.97: * HG2 LYS 17 + HE3 LYS 17 OK 97 100 - 97 - 3.8=91, 2864/2.9=26...(11) HB2 LEU 114 - HE3 LYS 17 OK 16 57 - 28 - 3.1/11218=8, ~11514=5...(8) HB3 LEU 82 - HE3 LYS 17 poor 6 61 - 10 - 3.1/9971=3, ~11480=2...(5) HG2 LYS 17 - HE3 LYS 16 lone 6 83 - 7 - 1.8/2895=1, 3.0/2892=1 HG2 LYS 17 - HE2 LYS 16 lone 6 83 - 7 - 1.8/2895=1, 3.0/2892=1 HB2 LEU 80 - HE3 LYS 17 lone 6 100 - 6 - 2864/2.9=1 HG12 ILE 18 - HE3 LYS 17 lone 5 92 - 6 - 11711/11218=2...(3) HB3 LYS 49 - HE2 LYS 115 lone 5 87 - 5 - 4124/3.0=1, 4124/3.0=1 HB3 LYS 49 - HE3 LYS 115 lone 5 87 - 5 - 4124/3.0=1, 4124/3.0=1 HB2 LEU 114 - HE3 LYS 115 lone 4 44 - 10 - 4.3/1757=2, 3.1/11218=2 HB2 LEU 114 - HE2 LYS 115 lone 4 44 - 10 - 4.3/1757=2, 3.1/11218=2 HD3 LYS 123 - HE2 LYS 115 lone 3 81 - 4 - 7129/4.8=1, 7129/4.8=1 HD3 LYS 123 - HE3 LYS 115 lone 3 81 - 4 - 7129/4.8=1, 7129/4.8=1 HG2 LYS 17 - HE2 LYS 115 lone 3 87 - 3 - HG2 LYS 17 - HE3 LYS 115 lone 3 87 - 3 - HD3 LYS 123 - HE3 LYS 17 lone 3 97 - 3 - HB2 LEU 80 - HE3 LYS 115 lone 2 86 - 3 - HB2 LEU 80 - HE2 LYS 115 lone 2 86 - 3 - HD3 LYS 123 - HE3 LYS 16 lone 2 77 - 2 - HD3 LYS 123 - HE2 LYS 16 lone 2 77 - 2 - HB2 LEU 55 - HE3 LYS 17 lone 2 98 - 2 - HB2 LEU 68 - HE2 LYS 115 lone 2 79 - 2 - HB2 LEU 68 - HE3 LYS 115 lone 2 79 - 2 - HB2 LEU 68 - HE3 LYS 17 lone 1 96 - 1 - HB2 LEU 114 - HE2 LYS 16 lone 1 41 - 3 - HB2 LEU 114 - HE3 LYS 16 lone 1 41 - 3 - HB2 LEU 55 - HE2 LYS 115 lone 1 83 - 1 - HB2 LEU 55 - HE3 LYS 115 lone 1 83 - 1 - HG12 ILE 18 - HE3 LYS 115 lone 1 75 - 1 - HG12 ILE 18 - HE2 LYS 115 lone 1 75 - 1 - HG3 ARG 105 - HE3 LYS 17 lone 1 100 - 1 - HB2 LEU 68 - HE3 LYS 16 lone 1 75 - 1 - HB2 LEU 68 - HE2 LYS 16 lone 1 75 - 1 - HB3 LYS 49 - HE3 LYS 17 lone 1 100 - 1 - HG3 ARG 105 - HE2 LYS 115 lone 1 86 - 1 - HG3 ARG 105 - HE3 LYS 115 lone 1 86 - 1 - HB2 LEU 80 - HE2 LYS 16 lone 1 82 - 1 - HB2 LEU 80 - HE3 LYS 16 lone 1 82 - 1 - HB3 LEU 82 - HE3 LYS 16 lone 1 44 - 1 - HB3 LEU 82 - HE2 LYS 16 lone 1 44 - 1 - HB2 LEU 55 - HE2 LYS 16 lone 0 78 - 1 - HB2 LEU 55 - HE3 LYS 16 lone 0 78 - 1 - HB3 LYS 49 - HE3 LYS 16 lone 0 83 - 1 - HB3 LYS 49 - HE2 LYS 16 lone 0 83 - 1 - HG12 ILE 18 - HE2 LYS 16 lone 0 71 - 1 - HG12 ILE 18 - HE3 LYS 16 lone 0 71 - 1 - HB3 LYS 94 - HE3 LYS 115 lone 0 44 - 1 - HB3 LYS 94 - HE2 LYS 115 lone 0 44 - 1 - HG3 ARG 105 - HE3 LYS 16 lone 0 82 - 0 - HG3 ARG 105 - HE2 LYS 16 lone 0 82 - 0 - HB3 LEU 82 - HE3 LYS 115 lone 0 47 - 1 - HB3 LEU 82 - HE2 LYS 115 lone 0 47 - 1 - HB3 LYS 94 - HE3 LYS 17 lone 0 57 - 1 - HB3 LYS 94 - HE3 LYS 16 lone 0 41 - 1 - HB3 LYS 94 - HE2 LYS 16 lone 0 41 - 1 - Peak 2895 from cnoeabs.peaks (1.43, 2.90, 41.78 ppm; 3.27 A): 1 out of 55 assignments used, quality = 0.85: * HG3 LYS 17 + HE3 LYS 17 OK 85 100 - 85 - 3.8=66, 1.8/2894=14...(12) HG12 ILE 56 - HE3 LYS 17 lone 8 100 - 8 - ~10919=2, ~10920=2, ~9550=2 HB3 LEU 4 - HE3 LYS 17 lone 7 96 - 7 - ~9045=2, ~10919=1 HB2 LEU 4 - HE3 LYS 17 lone 7 96 - 7 - ~9045=2, ~10919=1 HG3 LYS 17 - HE3 LYS 16 lone 5 83 - 6 - HG3 LYS 17 - HE2 LYS 16 lone 5 83 - 6 - HG LEU 80 - HE3 LYS 17 lone 3 87 - 4 - HG3 LYS 17 - HE2 LYS 115 lone 2 87 - 2 - HG3 LYS 17 - HE3 LYS 115 lone 2 87 - 2 - HG2 LYS 96 - HE2 LYS 16 lone 2 68 - 3 - HG2 LYS 96 - HE3 LYS 16 lone 2 68 - 3 - HB3 GLN 83 - HE3 LYS 17 lone 1 94 - 1 - HG3 LYS 44 - HE3 LYS 17 lone 1 94 - 1 - HG3 LYS 44 - HE3 LYS 16 lone 1 73 - 1 - HG3 LYS 44 - HE2 LYS 16 lone 1 73 - 1 - HG2 LYS 96 - HE3 LYS 17 lone 1 90 - 1 - HB3 LEU 4 - HE2 LYS 16 lone 1 75 - 1 - HB2 LEU 4 - HE2 LYS 16 lone 1 75 - 1 - HB2 LEU 4 - HE3 LYS 16 lone 1 75 - 1 - HB3 LEU 4 - HE3 LYS 16 lone 1 75 - 1 - QB ALA 113 - HE3 LYS 115 lone 1 47 - 2 - QB ALA 113 - HE2 LYS 115 lone 1 47 - 2 - QB ALA 113 - HE3 LYS 17 lone 1 61 - 1 - HG LEU 80 - HE2 LYS 115 lone 1 70 - 1 - HG LEU 80 - HE3 LYS 115 lone 1 70 - 1 - HB3 LEU 63 - HE3 LYS 115 lone 1 86 - 1 - HB3 LEU 63 - HE2 LYS 115 lone 1 86 - 1 - HG2 LYS 96 - HE2 LYS 115 lone 1 72 - 1 - HG2 LYS 96 - HE3 LYS 115 lone 1 72 - 1 - HB3 LEU 63 - HE3 LYS 17 lone 1 100 - 1 - HB3 LEU 63 - HE3 LYS 16 lone 1 82 - 1 - HB3 LEU 63 - HE2 LYS 16 lone 1 82 - 1 - HB3 LYS 61 - HE3 LYS 17 lone 0 100 - 0 - HG12 ILE 56 - HE2 LYS 115 lone 0 86 - 0 - HG12 ILE 56 - HE3 LYS 115 lone 0 86 - 0 - HG12 ILE 56 - HE2 LYS 16 lone 0 82 - 0 - HG12 ILE 56 - HE3 LYS 16 lone 0 82 - 0 - HG LEU 80 - HE2 LYS 16 lone 0 66 - 0 - HG LEU 80 - HE3 LYS 16 lone 0 66 - 0 - HG3 LYS 44 - HE2 LYS 115 lone 0 77 - 0 - HG3 LYS 44 - HE3 LYS 115 lone 0 77 - 0 - HB3 LEU 4 - HE2 LYS 115 lone 0 79 - 0 - HB3 LEU 4 - HE3 LYS 115 lone 0 79 - 0 - HB2 LEU 4 - HE2 LYS 115 lone 0 79 - 0 - HB2 LEU 4 - HE3 LYS 115 lone 0 79 - 0 - HB3 LYS 61 - HE3 LYS 16 lone 0 82 - 0 - HB3 LYS 61 - HE2 LYS 16 lone 0 82 - 0 - HB3 LYS 61 - HE3 LYS 115 lone 0 86 - 0 - HB3 LYS 61 - HE2 LYS 115 lone 0 86 - 0 - HB3 GLN 83 - HE2 LYS 115 lone 0 77 - 0 - HB3 GLN 83 - HE3 LYS 115 lone 0 77 - 0 - HB3 GLN 83 - HE3 LYS 16 lone 0 73 - 0 - HB3 GLN 83 - HE2 LYS 16 lone 0 73 - 0 - QB ALA 113 - HE2 LYS 16 lone 0 44 - 1 - QB ALA 113 - HE3 LYS 16 lone 0 44 - 1 - Peak 2896 from cnoeabs.peaks (1.68, 2.90, 41.78 ppm; 2.57 A): 5 out of 95 assignments used, quality = 0.99: * HD2 LYS 17 + HE3 LYS 17 OK 76 100 - 76 - 2.9=66, 2864/3.8=10...(7) HD2 LYS 16 + HE3 LYS 16 OK 62 80 - 78 - 3.0=63, 2779/1.8=5...(18) HD2 LYS 16 + HE2 LYS 16 OK 62 80 - 78 - 3.0=63, 2779/1.8=5...(18) HD3 LYS 16 + HE2 LYS 16 OK 58 75 - 78 - 3.0=63, 2778/1.8=5...(18) HD3 LYS 16 + HE3 LYS 16 OK 58 75 - 78 - 3.0=63, 2778/1.8=5...(18) HD3 LYS 40 - HE3 LYS 16 OK 16 83 - 19 - 3.6/2892=2, 2779=2...(6) HD3 LYS 40 - HE2 LYS 16 OK 16 83 - 19 - 3.6/2892=2, 2778=2...(6) HD2 LYS 40 - HE2 LYS 16 OK 16 83 - 19 - 3.6/2892=2, 2779=2...(6) HD2 LYS 40 - HE3 LYS 16 OK 16 83 - 19 - 3.6/2892=2, 2779=2...(6) HB ILE 56 - HE3 LYS 17 lone 4 96 - 4 - HD2 LYS 17 - HE3 LYS 16 lone 3 83 - 3 - HD2 LYS 17 - HE2 LYS 16 lone 3 83 - 3 - HD2 LYS 16 - HE3 LYS 17 lone 2 99 - 2 - HD3 LYS 16 - HE3 LYS 17 lone 2 96 - 2 - HD2 LYS 16 - HE2 LYS 115 lone 2 84 - 2 - HD2 LYS 16 - HE3 LYS 115 lone 2 84 - 2 - HD3 LYS 20 - HE3 LYS 16 lone 2 78 - 2 - HD3 LYS 20 - HE2 LYS 16 lone 2 78 - 2 - HD2 LYS 20 - HE2 LYS 16 lone 2 77 - 2 - HD2 LYS 20 - HE3 LYS 16 lone 2 77 - 2 - HD3 LYS 16 - HE3 LYS 115 lone 2 79 - 2 - HD3 LYS 16 - HE2 LYS 115 lone 2 79 - 2 - HG12 ILE 71 - HE3 LYS 17 lone 1 84 - 2 - HD3 LYS 20 - HE3 LYS 17 lone 1 98 - 1 - HD2 LYS 20 - HE3 LYS 17 lone 1 97 - 1 - HD2 LYS 40 - HE3 LYS 17 lone 1 100 - 1 - HD3 LYS 40 - HE3 LYS 17 lone 1 100 - 1 - HD2 LYS 17 - HE2 LYS 115 lone 1 87 - 2 - HD2 LYS 17 - HE3 LYS 115 lone 1 87 - 2 - HD2 LYS 96 - HE2 LYS 16 lone 1 83 - 1 - HD2 LYS 96 - HE3 LYS 16 lone 1 83 - 1 - HD3 LYS 96 - HE2 LYS 16 lone 1 82 - 1 - HD3 LYS 96 - HE3 LYS 16 lone 1 82 - 1 - HD3 LYS 73 - HE2 LYS 16 lone 1 82 - 1 - HD3 LYS 73 - HE3 LYS 16 lone 1 82 - 1 - HD2 LYS 73 - HE3 LYS 16 lone 1 81 - 1 - HD2 LYS 73 - HE2 LYS 16 lone 1 81 - 1 - HG3 LYS 123 - HE3 LYS 17 lone 1 65 - 1 - HD3 LYS 40 - HE3 LYS 115 lone 1 87 - 1 - HD3 LYS 40 - HE2 LYS 115 lone 1 87 - 1 - HD2 LYS 40 - HE3 LYS 115 lone 1 87 - 1 - HD2 LYS 40 - HE2 LYS 115 lone 1 87 - 1 - HG3 LYS 123 - HE3 LYS 115 lone 1 50 - 1 - HG3 LYS 123 - HE2 LYS 115 lone 1 50 - 1 - HG3 LYS 123 - HE2 LYS 16 lone 1 47 - 1 - HG3 LYS 123 - HE3 LYS 16 lone 1 47 - 1 - HD3 LYS 43 - HE2 LYS 16 lone 1 82 - 1 - HD3 LYS 43 - HE3 LYS 16 lone 1 82 - 1 - HD2 LYS 43 - HE2 LYS 16 lone 1 82 - 1 - HD2 LYS 43 - HE3 LYS 16 lone 1 82 - 1 - HD2 LYS 96 - HE3 LYS 17 lone 1 100 - 1 - HD3 LYS 96 - HE3 LYS 17 lone 1 100 - 1 - HG3 ARG 95 - HE3 LYS 16 lone 1 80 - 1 - HG3 ARG 95 - HE2 LYS 16 lone 1 80 - 1 - HG3 LYS 39 - HE3 LYS 16 lone 1 47 - 1 - HG3 LYS 39 - HE2 LYS 16 lone 1 47 - 1 - HD2 LYS 43 - HE3 LYS 17 lone 0 100 - 0 - HD3 LYS 43 - HE3 LYS 17 lone 0 100 - 0 - HD2 LYS 96 - HE2 LYS 115 lone 0 87 - 0 - HD2 LYS 96 - HE3 LYS 115 lone 0 87 - 0 - HD3 LYS 96 - HE3 LYS 115 lone 0 86 - 0 - HD3 LYS 96 - HE2 LYS 115 lone 0 86 - 0 - HD3 LYS 73 - HE3 LYS 17 lone 0 100 - 0 - HD2 LYS 73 - HE3 LYS 17 lone 0 99 - 0 - HB ILE 54 - HE3 LYS 17 lone 0 100 - 0 - HB ILE 54 - HE2 LYS 16 lone 0 83 - 0 - HB ILE 54 - HE3 LYS 16 lone 0 83 - 0 - HG12 ILE 71 - HE2 LYS 115 lone 0 67 - 0 - HG12 ILE 71 - HE3 LYS 115 lone 0 67 - 0 - HG12 ILE 71 - HE2 LYS 16 lone 0 63 - 0 - HG12 ILE 71 - HE3 LYS 16 lone 0 63 - 0 - HB ILE 56 - HE3 LYS 16 lone 0 75 - 0 - HB ILE 56 - HE2 LYS 16 lone 0 75 - 0 - HD3 LYS 20 - HE3 LYS 115 lone 0 83 - 0 - HD3 LYS 20 - HE2 LYS 115 lone 0 83 - 0 - HD2 LYS 20 - HE2 LYS 115 lone 0 81 - 0 - HD2 LYS 20 - HE3 LYS 115 lone 0 81 - 0 - HB ILE 54 - HE2 LYS 115 lone 0 87 - 0 - HB ILE 54 - HE3 LYS 115 lone 0 87 - 0 - HG3 ARG 95 - HE3 LYS 17 lone 0 99 - 0 - HB ILE 56 - HE3 LYS 115 lone 0 79 - 0 - HB ILE 56 - HE2 LYS 115 lone 0 79 - 0 - HG3 ARG 95 - HE2 LYS 115 lone 0 84 - 0 - HG3 ARG 95 - HE3 LYS 115 lone 0 84 - 0 - HG3 LYS 39 - HE3 LYS 17 lone 0 65 - 0 - HD3 LYS 43 - HE2 LYS 115 lone 0 86 - 0 - HD3 LYS 43 - HE3 LYS 115 lone 0 86 - 0 - HD2 LYS 43 - HE2 LYS 115 lone 0 86 - 0 - HD2 LYS 43 - HE3 LYS 115 lone 0 86 - 0 - HD3 LYS 73 - HE3 LYS 115 lone 0 86 - 0 - HD3 LYS 73 - HE2 LYS 115 lone 0 86 - 0 - HD2 LYS 73 - HE3 LYS 115 lone 0 85 - 0 - HD2 LYS 73 - HE2 LYS 115 lone 0 85 - 0 - HG3 LYS 39 - HE2 LYS 115 lone 0 50 - 0 - HG3 LYS 39 - HE3 LYS 115 lone 0 50 - 0 - Peak 2897 from cnoeabs.peaks (1.52, 2.90, 41.78 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 17 + HE3 LYS 17 OK 100 100 - 100 - 2.9=100 Peak 2898 from cnoeabs.peaks (2.85, 2.90, 41.78 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 17 + HE3 LYS 17 OK 100 100 - 100 - 1.8=100 Peak 2899 from cnoeabs.peaks (2.90, 2.90, 41.78 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HE3 LYS 17 + HE3 LYS 17 OK 100 100 - 100 HE2 LYS 115 + HE2 LYS 115 OK 77 77 - 100 HE3 LYS 115 + HE3 LYS 115 OK 77 77 - 100 HE3 LYS 16 + HE3 LYS 16 OK 71 71 - 100 HE2 LYS 16 + HE2 LYS 16 OK 71 71 - 100 Peak 2900 from cnoeabs.peaks (8.79, 3.37, 65.47 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 18 + HA ILE 18 OK 100 100 - 100 - 3.0=100 Peak 2901 from cnoeabs.peaks (3.37, 3.37, 65.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 18 + HA ILE 18 OK 100 100 - 100 Peak 2902 from cnoeabs.peaks (1.82, 3.37, 65.47 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 18 + HA ILE 18 OK 100 100 - 100 - 3.0=100 Peak 2903 from cnoeabs.peaks (0.72, 3.37, 65.47 ppm; 3.17 A): 2 out of 11 assignments used, quality = 1.00: * QG2 ILE 18 + HA ILE 18 OK 99 100 - 99 - 3.2=98, 2920/4.2=15...(16) HG13 ILE 18 + HA ILE 18 OK 77 90 - 86 - 3.8=58, 2.1/2936=17...(17) QG1 VAL 117 - HA ILE 18 OK 35 100 - 35 - 2.1/10514=14, 10517=11...(6) QD1 ILE 57 - HA ILE 18 lone 9 90 - 10 - 4530/3.6=4, 1125/3.0=2 QD2 LEU 55 - HA ILE 18 lone 5 65 - 8 - 9528/3.6=2, 1127/3.0=2 QD2 LEU 81 - HA ILE 18 lone 4 87 - 5 - 2.1/11028=2 QG2 VAL 78 - HA ILE 18 lone 3 97 - 3 - 2.1/2906=1 QD2 LEU 63 - HA ILE 18 lone 3 94 - 3 - QD1 LEU 6 - HA ILE 18 lone 1 100 - 1 - QD2 LEU 6 - HA ILE 18 lone 1 70 - 1 - QD2 LEU 45 - HA ILE 18 lone 0 97 - 0 - Peak 2904 from cnoeabs.peaks (1.76, 3.37, 65.47 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 18 + HA ILE 18 OK 100 100 - 100 - 3.8=100 Peak 2905 from cnoeabs.peaks (0.73, 3.37, 65.47 ppm; 3.17 A): 2 out of 11 assignments used, quality = 0.98: QG2 ILE 18 + HA ILE 18 OK 89 90 - 99 - 3.2=98, 2.9/2936=14...(16) * HG13 ILE 18 + HA ILE 18 OK 86 100 - 86 - 3.8=58, 2.1/2936=17...(17) QG1 VAL 117 - HA ILE 18 OK 32 96 - 34 - 2.1/10514=14, 10517=10...(6) QD2 LEU 55 - HA ILE 18 OK 11 97 - 11 - 9528/3.6=3, 11487/3.0=2 QG2 ILE 7 - HA ILE 18 lone 6 77 - 8 - 11582/4.2=3, 11076/3.8=2 QG2 VAL 78 - HA ILE 18 lone 3 99 - 3 - 2.1/2906=1 QD1 LEU 63 - HA ILE 18 lone 2 87 - 3 - QD2 LEU 6 - HA ILE 18 lone 1 98 - 1 - QD1 LEU 6 - HA ILE 18 lone 1 81 - 1 - QD2 LEU 45 - HA ILE 18 lone 1 99 - 1 - QG2 ILE 54 - HA ILE 18 lone 0 70 - 1 - Peak 2906 from cnoeabs.peaks (0.61, 3.37, 65.47 ppm; 3.82 A): 1 out of 3 assignments used, quality = 0.96: * QD1 ILE 18 + HA ILE 18 OK 96 100 - 96 - 4.2=78, 2920/3.2=30...(16) QD1 ILE 5 - HA ILE 18 OK 35 90 - 39 - 2936=11, 1128/3.0=8...(9) QG1 VAL 78 - HA ILE 18 lone 7 100 - 7 - 1128/3.0=2, 108/3.6=1...(4) Peak 2907 from cnoeabs.peaks (8.79, 1.82, 37.56 ppm; 3.71 A): 1 out of 6 assignments used, quality = 0.95: * H ILE 18 + HB ILE 18 OK 95 100 - 95 - 3.9=84, 1126/2.9=19...(11) H ASN 59 - HB ILE 18 lone 6 94 - 6 - 2921/2.9=2, 9613/2.9=1 H VAL 29 - HB ILE 18 lone 4 94 - 5 - 102/4.5=2 H ILE 5 - HB ILE 18 lone 4 57 - 6 - 2921/2.9=1, 102/4.5=1 H MET 42 - HB ILE 18 lone 3 98 - 4 - 102/4.5=1 H ILE 54 - HB ILE 18 lone 2 61 - 3 - Peak 2908 from cnoeabs.peaks (3.37, 1.82, 37.56 ppm; 4.54 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 18 + HB ILE 18 OK 100 100 - 100 - 3.0=100 Peak 2909 from cnoeabs.peaks (1.82, 1.82, 37.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 18 + HB ILE 18 OK 100 100 - 100 Peak 2910 from cnoeabs.peaks (0.72, 1.82, 37.56 ppm; 3.14 A): 2 out of 2 assignments used, quality = 1.00: * QG2 ILE 18 + HB ILE 18 OK 100 100 - 100 - 2.1=100 HG13 ILE 18 + HB ILE 18 OK 90 90 - 100 - 2.9=100 Peak 2911 from cnoeabs.peaks (1.76, 1.82, 37.56 ppm; 3.24 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 18 + HB ILE 18 OK 100 100 - 100 - 2.9=100 Peak 2912 from cnoeabs.peaks (0.73, 1.82, 37.56 ppm; 3.14 A): 2 out of 2 assignments used, quality = 1.00: * HG13 ILE 18 + HB ILE 18 OK 100 100 - 100 - 2.9=100 QG2 ILE 18 + HB ILE 18 OK 90 90 - 100 - 2.1=100 Peak 2913 from cnoeabs.peaks (0.61, 1.82, 37.56 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 18 + HB ILE 18 OK 100 100 - 100 - 3.2=100 Peak 2914 from cnoeabs.peaks (8.79, 0.72, 17.36 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 18 + QG2 ILE 18 OK 100 100 - 100 - 4.0=100 Peak 2915 from cnoeabs.peaks (3.37, 0.72, 17.36 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 18 + QG2 ILE 18 OK 100 100 - 100 - 3.2=100 Peak 2916 from cnoeabs.peaks (1.82, 0.72, 17.36 ppm; 3.35 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 18 + QG2 ILE 18 OK 100 100 - 100 - 2.1=100 Peak 2917 from cnoeabs.peaks (0.72, 0.72, 17.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 18 + QG2 ILE 18 OK 100 100 - 100 Peak 2918 from cnoeabs.peaks (1.76, 0.72, 17.36 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 18 + QG2 ILE 18 OK 100 100 - 100 - 3.2=100 Peak 2919 from cnoeabs.peaks (0.73, 0.72, 17.36 ppm; diagonal): 1 out of 1 assignment used, quality = 0.90: QG2 ILE 18 + QG2 ILE 18 OK 90 90 - 100 Reference assignment not found: HG13 ILE 18 - QG2 ILE 18 Peak 2920 from cnoeabs.peaks (0.61, 0.72, 17.36 ppm; 2.78 A): 2 out of 3 assignments used, quality = 0.94: * QD1 ILE 18 + QG2 ILE 18 OK 93 100 - 93 - 2.9=89, 2936/3.2=10...(8) QD1 ILE 5 + QG2 ILE 18 OK 14 90 - 16 - 2906/3.2=3, 1128/4.0=3...(5) QG1 VAL 78 - QG2 ILE 18 lone 4 100 - 3 - Peak 2921 from cnoeabs.peaks (8.79, 1.76, 29.49 ppm; 4.38 A): 1 out of 6 assignments used, quality = 0.97: * H ILE 18 + HG12 ILE 18 OK 97 100 - 97 - 4.6=84, 2907/2.9=31...(13) H ASN 59 - HG12 ILE 18 OK 11 94 - 12 - 4.5/9602=3, 9613/1.8=2...(5) H ILE 5 - HG12 ILE 18 poor 8 57 - 14 - 4.0/10780=3, 4.6/10780=3...(7) H VAL 29 - HG12 ILE 18 lone 5 94 - 6 - 2907/2.9=1, 4.0/11711=1 H MET 42 - HG12 ILE 18 lone 4 98 - 4 - 2907/2.9=1, 10434/11710=1 H ILE 54 - HG12 ILE 18 lone 3 61 - 4 - 4.4/1357=1 Peak 2922 from cnoeabs.peaks (3.37, 1.76, 29.49 ppm; 4.91 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 18 + HG12 ILE 18 OK 100 100 - 100 - 3.8=100 Peak 2923 from cnoeabs.peaks (1.82, 1.76, 29.49 ppm; 2.81 A): 1 out of 10 assignments used, quality = 0.95: * HB ILE 18 + HG12 ILE 18 OK 95 100 - 95 - 2.9=93, ~2920=11...(7) HB2 LEU 14 - HG12 ILE 18 OK 16 100 - 16 - 3.1/11676=3, ~9196=3...(8) QE MET 121 - HG12 ILE 18 OK 12 94 - 13 - 10601/3.2=3, ~10592=3...(6) HB3 LYS 19 - HG12 ILE 18 poor 10 84 - 11 - ~9191=4, ~9200=3...(5) HG12 ILE 5 - HG12 ILE 18 lone 8 81 - 10 - 1.8/10780=2, ~10779=2...(4) HB ILE 57 - HG12 ILE 18 lone 4 100 - 4 - HB ILE 97 - HG12 ILE 18 lone 1 84 - 2 - HG2 ARG 105 - HG12 ILE 18 lone 1 73 - 1 - HB3 ARG 105 - HG12 ILE 18 lone 1 99 - 1 - HB ILE 3 - HG12 ILE 18 lone 0 77 - 1 - Peak 2924 from cnoeabs.peaks (0.72, 1.76, 29.49 ppm; 3.33 A): 2 out of 2 assignments used, quality = 1.00: * QG2 ILE 18 + HG12 ILE 18 OK 100 100 - 100 - 3.2=100 HG13 ILE 18 + HG12 ILE 18 OK 90 90 - 100 - 1.8=100 Peak 2925 from cnoeabs.peaks (1.76, 1.76, 29.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 18 + HG12 ILE 18 OK 100 100 - 100 Peak 2926 from cnoeabs.peaks (0.73, 1.76, 29.49 ppm; 3.33 A): 2 out of 2 assignments used, quality = 1.00: * HG13 ILE 18 + HG12 ILE 18 OK 100 100 - 100 - 1.8=100 QG2 ILE 18 + HG12 ILE 18 OK 90 90 - 100 - 3.2=100 Peak 2927 from cnoeabs.peaks (0.61, 1.76, 29.49 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 18 + HG12 ILE 18 OK 100 100 - 100 - 2.1=100 Peak 2928 from cnoeabs.peaks (8.79, 0.73, 29.49 ppm; 5.11 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 18 + HG13 ILE 18 OK 100 100 - 100 - 4.6=100 Peak 2929 from cnoeabs.peaks (3.37, 0.73, 29.49 ppm; 4.66 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 18 + HG13 ILE 18 OK 100 100 - 100 - 3.8=100 Peak 2930 from cnoeabs.peaks (1.82, 0.73, 29.49 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 18 + HG13 ILE 18 OK 100 100 - 100 - 2.9=100 Peak 2931 from cnoeabs.peaks (0.72, 0.73, 29.49 ppm; diagonal): 1 out of 1 assignment used, quality = 0.90: HG13 ILE 18 + HG13 ILE 18 OK 90 90 - 100 Reference assignment not found: QG2 ILE 18 - HG13 ILE 18 Peak 2932 from cnoeabs.peaks (1.76, 0.73, 29.49 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 18 + HG13 ILE 18 OK 100 100 - 100 - 1.8=100 Peak 2933 from cnoeabs.peaks (0.73, 0.73, 29.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 18 + HG13 ILE 18 OK 100 100 - 100 Peak 2934 from cnoeabs.peaks (0.61, 0.73, 29.49 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 18 + HG13 ILE 18 OK 100 100 - 100 - 2.1=100 Peak 2935 from cnoeabs.peaks (8.79, 0.61, 13.41 ppm; 3.79 A): 3 out of 12 assignments used, quality = 0.93: * H ILE 18 + QD1 ILE 18 OK 88 100 - 88 - 5.0=43, 1126/2.1=24...(13) H ILE 18 + QD1 ILE 5 OK 30 78 - 39 - 1128=13, 3.0/2906=7...(9) H ILE 5 + QD1 ILE 5 OK 23 38 - 59 - 5.0=43, 4.0/2422=8...(7) H ILE 5 - QD1 ILE 18 poor 7 57 - 12 - 2921/2.1=2, 4.0/2422=1...(6) H ASN 59 - QD1 ILE 18 lone 6 94 - 7 - 2921/2.1=2, 9613/2.1=2 H ILE 54 - QD1 ILE 5 poor 4 41 - 10 - 10802/2.1=2, 4.4/330=2...(5) H VAL 29 - QD1 ILE 18 lone 3 94 - 4 - 2921/2.1=1, 2907/3.2=1 H MET 42 - QD1 ILE 18 lone 3 98 - 3 - H VAL 29 - QD1 ILE 5 lone 3 69 - 4 - 4.6/11356=2, 4.6/11481=1 H ASN 59 - QD1 ILE 5 lone 2 69 - 4 - 9612/3.0=1, 9612/2.1=1 H ILE 54 - QD1 ILE 18 lone 2 61 - 3 - H MET 42 - QD1 ILE 5 lone 1 74 - 1 - Peak 2936 from cnoeabs.peaks (3.37, 0.61, 13.41 ppm; 3.98 A): 1 out of 2 assignments used, quality = 0.98: * HA ILE 18 + QD1 ILE 18 OK 98 100 - 98 - 4.2=88, 3.2/2920=32...(17) HA ILE 18 - QD1 ILE 5 OK 32 78 - 41 - 2906=13, 3.0/1128=8...(10) Peak 2937 from cnoeabs.peaks (1.82, 0.61, 13.41 ppm; 2.92 A): 1 out of 1 assignment used, quality = 0.56: HG12 ILE 5 + QD1 ILE 5 OK 56 56 - 100 - 2.1=100 Reference assignment not found: HB ILE 18 - QD1 ILE 18 Peak 2938 from cnoeabs.peaks (0.72, 0.61, 13.41 ppm; 2.40 A): 1 out of 1 assignment used, quality = 0.90: HG13 ILE 18 + QD1 ILE 18 OK 90 90 - 100 - 2.1=100 Reference assignment not found: QG2 ILE 18 - QD1 ILE 18 Peak 2939 from cnoeabs.peaks (1.76, 0.61, 13.41 ppm; 2.98 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 18 + QD1 ILE 18 OK 100 100 - 100 - 2.1=100 Peak 2940 from cnoeabs.peaks (0.73, 0.61, 13.41 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 18 + QD1 ILE 18 OK 100 100 - 100 - 2.1=100 Peak 2941 from cnoeabs.peaks (0.61, 0.61, 13.41 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 18 + QD1 ILE 18 OK 100 100 - 100 QD1 ILE 5 + QD1 ILE 5 OK 64 64 - 100 Peak 2942 from cnoeabs.peaks (8.53, 3.68, 60.85 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 19 + HA LYS 19 OK 100 100 - 100 - 3.0=100 Peak 2943 from cnoeabs.peaks (3.68, 3.68, 60.85 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 19 + HA LYS 19 OK 100 100 - 100 Peak 2944 from cnoeabs.peaks (1.79, 3.68, 60.85 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 19 + HA LYS 19 OK 100 100 - 100 - 3.0=100 Peak 2945 from cnoeabs.peaks (1.83, 3.68, 60.85 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 19 + HA LYS 19 OK 100 100 - 100 - 3.0=100 Peak 2946 from cnoeabs.peaks (1.10, 3.68, 60.85 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 19 + HA LYS 19 OK 100 100 - 100 - 3.8=100 Peak 2947 from cnoeabs.peaks (1.60, 3.68, 60.85 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 19 + HA LYS 19 OK 100 100 - 100 - 3.8=100 Peak 2948 from cnoeabs.peaks (1.59, 3.68, 60.85 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: HG3 LYS 19 + HA LYS 19 OK 100 100 - 100 - 3.8=100 Reference assignment not found: HD2 LYS 19 - HA LYS 19 Peak 2949 from cnoeabs.peaks (1.59, 3.68, 60.85 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: HG3 LYS 19 + HA LYS 19 OK 100 100 - 100 - 3.8=100 Reference assignment not found: HD3 LYS 19 - HA LYS 19 Peak 2950 from cnoeabs.peaks (2.70, 3.68, 60.85 ppm; 5.76 A): 2 out of 8 assignments used, quality = 1.00: HE3 LYS 19 + HA LYS 19 OK 99 100 - 99 - 6.3=77, 3.0/2993=22...(24) * HE2 LYS 19 + HA LYS 19 OK 99 100 - 99 - 6.3=77, 3.0/3003=22...(24) HE2 LYS 61 - HA LYS 19 lone 3 84 - 3 - HB2 ASN 50 - HA LYS 19 lone 2 97 - 3 - HB3 ASN 50 - HA LYS 19 lone 2 96 - 3 - HB3 ASP 110 - HA LYS 19 lone 2 65 - 3 - HB3 ASN 33 - HA LYS 19 lone 2 92 - 2 - HE3 LYS 53 - HA LYS 19 lone 1 65 - 2 - Peak 2952 from cnoeabs.peaks (8.53, 1.79, 32.33 ppm; 4.53 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 19 + HB2 LYS 19 OK 100 100 - 100 - 4.0=100 Peak 2953 from cnoeabs.peaks (3.68, 1.79, 32.33 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 19 + HB2 LYS 19 OK 100 100 - 100 - 3.0=100 Peak 2954 from cnoeabs.peaks (1.79, 1.79, 32.33 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 19 + HB2 LYS 19 OK 100 100 - 100 Peak 2955 from cnoeabs.peaks (1.83, 1.79, 32.33 ppm; 2.67 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 19 + HB2 LYS 19 OK 100 100 - 100 - 1.8=100 Peak 2956 from cnoeabs.peaks (1.10, 1.79, 32.33 ppm; 4.43 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 19 + HB2 LYS 19 OK 100 100 - 100 - 3.0=100 Peak 2957 from cnoeabs.peaks (1.60, 1.79, 32.33 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 19 + HB2 LYS 19 OK 100 100 - 100 - 3.0=100 Peak 2958 from cnoeabs.peaks (1.59, 1.79, 32.33 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: HG3 LYS 19 + HB2 LYS 19 OK 100 100 - 100 - 3.0=100 Reference assignment not found: HD2 LYS 19 - HB2 LYS 19 Peak 2959 from cnoeabs.peaks (1.59, 1.79, 32.33 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: HG3 LYS 19 + HB2 LYS 19 OK 100 100 - 100 - 3.0=100 Reference assignment not found: HD3 LYS 19 - HB2 LYS 19 Peak 2961 from cnoeabs.peaks (2.70, 1.79, 32.33 ppm; 5.66 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 19 + HB2 LYS 19 OK 100 100 - 100 - 5.0=100 HE2 LYS 19 + HB2 LYS 19 OK 100 100 - 100 - 5.0=100 Peak 2962 from cnoeabs.peaks (8.53, 1.83, 32.33 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 19 + HB3 LYS 19 OK 100 100 - 100 - 4.0=100 Peak 2963 from cnoeabs.peaks (3.68, 1.83, 32.33 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 19 + HB3 LYS 19 OK 100 100 - 100 - 3.0=100 Peak 2964 from cnoeabs.peaks (1.79, 1.83, 32.33 ppm; 2.63 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 19 + HB3 LYS 19 OK 100 100 - 100 - 1.8=100 Peak 2965 from cnoeabs.peaks (1.83, 1.83, 32.33 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 LYS 19 + HB3 LYS 19 OK 100 100 - 100 HB3 LYS 77 + HB3 LYS 77 OK 81 81 - 100 HB2 LYS 77 + HB2 LYS 77 OK 71 71 - 100 Peak 2966 from cnoeabs.peaks (1.10, 1.83, 32.33 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 19 + HB3 LYS 19 OK 100 100 - 100 - 3.0=100 Peak 2967 from cnoeabs.peaks (1.60, 1.83, 32.33 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 19 + HB3 LYS 19 OK 100 100 - 100 - 3.0=100 Peak 2968 from cnoeabs.peaks (1.59, 1.83, 32.33 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: HG3 LYS 19 + HB3 LYS 19 OK 100 100 - 100 - 3.0=100 Reference assignment not found: HD2 LYS 19 - HB3 LYS 19 Peak 2969 from cnoeabs.peaks (1.59, 1.83, 32.33 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: HG3 LYS 19 + HB3 LYS 19 OK 100 100 - 100 - 3.0=100 Reference assignment not found: HD3 LYS 19 - HB3 LYS 19 Peak 2972 from cnoeabs.peaks (8.53, 1.10, 27.09 ppm; 5.41 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 19 + HG2 LYS 19 OK 100 100 - 100 - 5.0=100 Peak 2973 from cnoeabs.peaks (3.68, 1.10, 27.09 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 19 + HG2 LYS 19 OK 100 100 - 100 - 3.8=100 Peak 2974 from cnoeabs.peaks (1.79, 1.10, 27.09 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 19 + HG2 LYS 19 OK 100 100 - 100 - 3.0=100 Peak 2975 from cnoeabs.peaks (1.83, 1.10, 27.09 ppm; 4.29 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 19 + HG2 LYS 19 OK 100 100 - 100 - 3.0=100 Peak 2976 from cnoeabs.peaks (1.10, 1.10, 27.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 19 + HG2 LYS 19 OK 100 100 - 100 Peak 2977 from cnoeabs.peaks (1.60, 1.10, 27.09 ppm; 3.22 A): 3 out of 3 assignments used, quality = 1.00: * HG3 LYS 19 + HG2 LYS 19 OK 100 100 - 100 - 1.8=100 HD3 LYS 19 + HG2 LYS 19 OK 100 100 - 100 - 3.0=100 HD2 LYS 19 + HG2 LYS 19 OK 100 100 - 100 - 3.0=100 Peak 2978 from cnoeabs.peaks (1.59, 1.10, 27.09 ppm; 3.22 A): 3 out of 3 assignments used, quality = 1.00: HD3 LYS 19 + HG2 LYS 19 OK 100 100 - 100 - 3.0=100 * HD2 LYS 19 + HG2 LYS 19 OK 100 100 - 100 - 3.0=100 HG3 LYS 19 + HG2 LYS 19 OK 100 100 - 100 - 1.8=100 Peak 2979 from cnoeabs.peaks (1.59, 1.10, 27.09 ppm; 3.22 A): 3 out of 3 assignments used, quality = 1.00: * HD3 LYS 19 + HG2 LYS 19 OK 100 100 - 100 - 3.0=100 HD2 LYS 19 + HG2 LYS 19 OK 100 100 - 100 - 3.0=100 HG3 LYS 19 + HG2 LYS 19 OK 100 100 - 100 - 1.8=100 Peak 2980 from cnoeabs.peaks (2.70, 1.10, 27.09 ppm; 4.38 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 19 + HG2 LYS 19 OK 100 100 - 100 - 4.0=100 * HE2 LYS 19 + HG2 LYS 19 OK 100 100 - 100 - 4.0=100 Peak 2981 from cnoeabs.peaks (2.70, 1.10, 27.09 ppm; 4.38 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 19 + HG2 LYS 19 OK 100 100 - 100 - 4.0=100 HE2 LYS 19 + HG2 LYS 19 OK 100 100 - 100 - 4.0=100 Peak 2982 from cnoeabs.peaks (8.53, 1.60, 27.09 ppm; 4.72 A): 1 out of 3 assignments used, quality = 0.98: * H LYS 19 + HG3 LYS 19 OK 98 100 - 98 - 5.0=85, 1133/1.8=43...(12) H ILE 57 - HG3 LYS 19 OK 24 94 - 25 - 109/5.0=5, 4.9/9555=5...(7) H ASN 88 - HG3 LYS 19 lone 3 99 - 3 - Peak 2983 from cnoeabs.peaks (3.68, 1.60, 27.09 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 19 + HG3 LYS 19 OK 100 100 - 100 - 3.8=100 Peak 2984 from cnoeabs.peaks (1.79, 1.60, 27.09 ppm; 3.47 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 19 + HG3 LYS 19 OK 100 100 - 100 - 3.0=100 Peak 2985 from cnoeabs.peaks (1.83, 1.60, 27.09 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 19 + HG3 LYS 19 OK 100 100 - 100 - 3.0=100 Peak 2986 from cnoeabs.peaks (1.10, 1.60, 27.09 ppm; 3.47 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 19 + HG3 LYS 19 OK 100 100 - 100 - 1.8=100 Peak 2987 from cnoeabs.peaks (1.60, 1.60, 27.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 19 + HG3 LYS 19 OK 100 100 - 100 Peak 2988 from cnoeabs.peaks (1.59, 1.60, 27.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HG3 LYS 19 + HG3 LYS 19 OK 100 100 - 100 Reference assignment not found: HD2 LYS 19 - HG3 LYS 19 Peak 2989 from cnoeabs.peaks (1.59, 1.60, 27.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: HG3 LYS 19 + HG3 LYS 19 OK 100 100 - 100 Reference assignment not found: HD3 LYS 19 - HG3 LYS 19 Peak 2990 from cnoeabs.peaks (2.70, 1.60, 27.09 ppm; 4.38 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 19 + HG3 LYS 19 OK 100 100 - 100 - 4.0=100 * HE2 LYS 19 + HG3 LYS 19 OK 100 100 - 100 - 4.0=100 Peak 2991 from cnoeabs.peaks (2.70, 1.60, 27.09 ppm; 4.38 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 19 + HG3 LYS 19 OK 100 100 - 100 - 4.0=100 HE2 LYS 19 + HG3 LYS 19 OK 100 100 - 100 - 4.0=100 Peak 2992 from cnoeabs.peaks (8.53, 1.59, 29.87 ppm; 4.57 A): 2 out of 6 assignments used, quality = 1.00: H LYS 19 + HD3 LYS 19 OK 94 100 - 94 - 6.3=39, 1133/3.0=34...(17) * H LYS 19 + HD2 LYS 19 OK 94 100 - 94 - 6.3=39, 1133/3.0=34...(17) H ILE 57 - HD3 LYS 19 OK 27 94 - 28 - 4.9/9555=7, 4.0/10786=6...(7) H ILE 57 - HD2 LYS 19 OK 27 94 - 28 - 4.9/9555=7, 4.0/10786=6...(7) H ASN 88 - HD3 LYS 19 lone 2 99 - 2 - H ASN 88 - HD2 LYS 19 lone 2 99 - 2 - Peak 2993 from cnoeabs.peaks (3.68, 1.59, 29.87 ppm; 4.71 A): 2 out of 2 assignments used, quality = 1.00: HA LYS 19 + HD3 LYS 19 OK 97 100 - 97 - 5.4=64, ~1133=18...(28) * HA LYS 19 + HD2 LYS 19 OK 97 100 - 97 - 5.4=64, ~1133=18...(28) Peak 2994 from cnoeabs.peaks (1.79, 1.59, 29.87 ppm; 3.41 A): 2 out of 18 assignments used, quality = 0.99: * HB2 LYS 19 + HD2 LYS 19 OK 92 100 - 92 - 3.6=82, 1.8/3005=11...(15) HB2 LYS 19 + HD3 LYS 19 OK 92 100 - 92 - 3.6=82, 1.8/3005=11...(15) HG12 ILE 5 - HD3 LYS 19 poor 8 61 - 13 - 3.2/10913=4, ~10913=2...(4) HG12 ILE 5 - HD2 LYS 19 poor 8 61 - 13 - 3.2/10913=4, ~10913=2...(4) HB VAL 32 - HD3 LYS 19 lone 5 87 - 6 - ~9297=1, ~10931=1 HB VAL 32 - HD2 LYS 19 lone 5 87 - 6 - ~9297=1, ~10931=1 HB2 LEU 64 - HD2 LYS 19 lone 4 100 - 4 - ~10784=2 HB2 LEU 64 - HD3 LYS 19 lone 4 100 - 4 - ~10784=2 HB3 GLN 28 - HD3 LYS 19 lone 1 99 - 1 - HB3 GLN 28 - HD2 LYS 19 lone 1 99 - 1 - HB2 ARG 118 - HD3 LYS 19 lone 1 90 - 1 - HB2 ARG 118 - HD2 LYS 19 lone 1 90 - 1 - HB2 LEU 90 - HD3 LYS 19 lone 0 87 - 1 - HB2 LEU 90 - HD2 LYS 19 lone 0 87 - 1 - HG2 ARG 105 - HD3 LYS 19 lone 0 70 - 1 - HG2 ARG 105 - HD2 LYS 19 lone 0 70 - 1 - HB ILE 3 - HD3 LYS 19 lone 0 65 - 0 - HB ILE 3 - HD2 LYS 19 lone 0 65 - 0 - Peak 2995 from cnoeabs.peaks (1.83, 1.59, 29.87 ppm; 3.53 A): 2 out of 20 assignments used, quality = 1.00: HB3 LYS 19 + HD3 LYS 19 OK 97 100 - 97 - 3.6=91, 1.8/2994=16...(15) * HB3 LYS 19 + HD2 LYS 19 OK 97 100 - 97 - 3.6=91, 1.8/2994=16...(15) HB ILE 57 - HD3 LYS 19 OK 33 90 - 36 - 3.2/9555=6, 2.1/10786=6...(13) HB ILE 57 - HD2 LYS 19 OK 33 90 - 36 - 3.2/9555=6, 2.1/10786=6...(13) HB ILE 18 - HD2 LYS 19 OK 16 84 - 19 - 4.5/1134=6, ~10785=4...(6) HB ILE 18 - HD3 LYS 19 OK 16 84 - 19 - 4.5/1134=6, ~10785=4...(6) QE MET 121 - HD3 LYS 19 lone 4 99 - 4 - 10601/9555=1 QE MET 121 - HD2 LYS 19 lone 4 99 - 4 - 10601/9555=1 HB2 LEU 14 - HD3 LYS 19 lone 1 90 - 1 - HB2 LEU 14 - HD2 LYS 19 lone 1 90 - 1 - HB3 LYS 77 - HD2 LYS 19 lone 1 97 - 1 - HB3 LYS 77 - HD3 LYS 19 lone 1 97 - 1 - HB2 LYS 77 - HD2 LYS 19 lone 1 94 - 1 - HB2 LYS 77 - HD3 LYS 19 lone 1 94 - 1 - HD2 LYS 123 - HD2 LYS 19 lone 1 94 - 1 - HD2 LYS 123 - HD3 LYS 19 lone 1 94 - 1 - HB3 ARG 105 - HD2 LYS 19 lone 0 65 - 1 - HB3 ARG 105 - HD3 LYS 19 lone 0 65 - 1 - HG LEU 70 - HD2 LYS 19 lone 0 81 - 1 - HG LEU 70 - HD3 LYS 19 lone 0 81 - 1 - Peak 2996 from cnoeabs.peaks (1.10, 1.59, 29.87 ppm; 3.57 A): 2 out of 2 assignments used, quality = 1.00: HG2 LYS 19 + HD3 LYS 19 OK 100 100 - 100 - 3.0=100 * HG2 LYS 19 + HD2 LYS 19 OK 100 100 - 100 - 3.0=100 Peak 2997 from cnoeabs.peaks (1.60, 1.59, 29.87 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 19 + HD3 LYS 19 OK 100 100 - 100 HD2 LYS 19 + HD2 LYS 19 OK 100 100 - 100 Reference assignment not found: HG3 LYS 19 - HD2 LYS 19 Peak 2998 from cnoeabs.peaks (1.59, 1.59, 29.87 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 19 + HD3 LYS 19 OK 100 100 - 100 * HD2 LYS 19 + HD2 LYS 19 OK 100 100 - 100 Peak 2999 from cnoeabs.peaks (1.59, 1.59, 29.87 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 19 + HD3 LYS 19 OK 100 100 - 100 HD2 LYS 19 + HD2 LYS 19 OK 100 100 - 100 Reference assignment not found: HD3 LYS 19 - HD2 LYS 19 Peak 3000 from cnoeabs.peaks (2.70, 1.59, 29.87 ppm; 3.60 A): 4 out of 4 assignments used, quality = 1.00: HE3 LYS 19 + HD2 LYS 19 OK 100 100 - 100 - 3.0=100 HE3 LYS 19 + HD3 LYS 19 OK 100 100 - 100 - 3.0=100 * HE2 LYS 19 + HD2 LYS 19 OK 100 100 - 100 - 3.0=100 HE2 LYS 19 + HD3 LYS 19 OK 100 100 - 100 - 3.0=100 Peak 3001 from cnoeabs.peaks (2.70, 1.59, 29.87 ppm; 3.60 A): 4 out of 4 assignments used, quality = 1.00: * HE3 LYS 19 + HD2 LYS 19 OK 100 100 - 100 - 3.0=100 HE3 LYS 19 + HD3 LYS 19 OK 100 100 - 100 - 3.0=100 HE2 LYS 19 + HD2 LYS 19 OK 100 100 - 100 - 3.0=100 HE2 LYS 19 + HD3 LYS 19 OK 100 100 - 100 - 3.0=100 Peak 3002 from cnoeabs.peaks (8.53, 1.59, 29.87 ppm; 4.57 A): 2 out of 6 assignments used, quality = 1.00: * H LYS 19 + HD3 LYS 19 OK 94 100 - 94 - 6.3=39, 1133/3.0=34...(17) H LYS 19 + HD2 LYS 19 OK 94 100 - 94 - 6.3=39, 1133/3.0=34...(17) H ILE 57 - HD3 LYS 19 OK 27 94 - 28 - 4.9/9555=7, 4.0/10786=6...(7) H ILE 57 - HD2 LYS 19 OK 27 94 - 28 - 4.9/9555=7, 4.0/10786=6...(7) H ASN 88 - HD3 LYS 19 lone 2 99 - 2 - H ASN 88 - HD2 LYS 19 lone 2 99 - 2 - Peak 3003 from cnoeabs.peaks (3.68, 1.59, 29.87 ppm; 4.71 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 19 + HD3 LYS 19 OK 97 100 - 97 - 5.4=64, ~1133=18...(28) HA LYS 19 + HD2 LYS 19 OK 97 100 - 97 - 5.4=64, ~1133=18...(28) Peak 3004 from cnoeabs.peaks (1.79, 1.59, 29.87 ppm; 3.41 A): 2 out of 18 assignments used, quality = 0.99: HB2 LYS 19 + HD2 LYS 19 OK 92 100 - 92 - 3.6=82, 1.8/3005=11...(15) * HB2 LYS 19 + HD3 LYS 19 OK 92 100 - 92 - 3.6=82, 1.8/3005=11...(15) HG12 ILE 5 - HD3 LYS 19 poor 8 61 - 13 - 3.2/10913=4, ~10913=2...(4) HG12 ILE 5 - HD2 LYS 19 poor 8 61 - 13 - 3.2/10913=4, ~10913=2...(4) HB VAL 32 - HD3 LYS 19 lone 5 87 - 6 - ~9297=1, ~10931=1 HB VAL 32 - HD2 LYS 19 lone 5 87 - 6 - ~9297=1, ~10931=1 HB2 LEU 64 - HD2 LYS 19 lone 4 100 - 4 - ~10784=2 HB2 LEU 64 - HD3 LYS 19 lone 4 100 - 4 - ~10784=2 HB3 GLN 28 - HD3 LYS 19 lone 1 99 - 1 - HB3 GLN 28 - HD2 LYS 19 lone 1 99 - 1 - HB2 ARG 118 - HD3 LYS 19 lone 1 90 - 1 - HB2 ARG 118 - HD2 LYS 19 lone 1 90 - 1 - HB2 LEU 90 - HD3 LYS 19 lone 0 87 - 1 - HB2 LEU 90 - HD2 LYS 19 lone 0 87 - 1 - HG2 ARG 105 - HD3 LYS 19 lone 0 70 - 1 - HG2 ARG 105 - HD2 LYS 19 lone 0 70 - 1 - HB ILE 3 - HD3 LYS 19 lone 0 65 - 0 - HB ILE 3 - HD2 LYS 19 lone 0 65 - 0 - Peak 3005 from cnoeabs.peaks (1.83, 1.59, 29.87 ppm; 3.53 A): 2 out of 20 assignments used, quality = 1.00: * HB3 LYS 19 + HD3 LYS 19 OK 97 100 - 97 - 3.6=91, 1.8/2994=16...(15) HB3 LYS 19 + HD2 LYS 19 OK 97 100 - 97 - 3.6=91, 1.8/2994=16...(15) HB ILE 57 - HD3 LYS 19 OK 33 90 - 36 - 3.2/9555=6, 2.1/10786=6...(13) HB ILE 57 - HD2 LYS 19 OK 33 90 - 36 - 3.2/9555=6, 2.1/10786=6...(13) HB ILE 18 - HD2 LYS 19 OK 16 84 - 19 - 4.5/1134=6, ~10785=4...(6) HB ILE 18 - HD3 LYS 19 OK 16 84 - 19 - 4.5/1134=6, ~10785=4...(6) QE MET 121 - HD3 LYS 19 lone 4 99 - 4 - 10601/9555=1 QE MET 121 - HD2 LYS 19 lone 4 99 - 4 - 10601/9555=1 HB2 LEU 14 - HD3 LYS 19 lone 1 90 - 1 - HB2 LEU 14 - HD2 LYS 19 lone 1 90 - 1 - HB3 LYS 77 - HD2 LYS 19 lone 1 97 - 1 - HB3 LYS 77 - HD3 LYS 19 lone 1 97 - 1 - HB2 LYS 77 - HD2 LYS 19 lone 1 94 - 1 - HB2 LYS 77 - HD3 LYS 19 lone 1 94 - 1 - HD2 LYS 123 - HD2 LYS 19 lone 1 94 - 1 - HD2 LYS 123 - HD3 LYS 19 lone 1 94 - 1 - HB3 ARG 105 - HD2 LYS 19 lone 0 65 - 1 - HB3 ARG 105 - HD3 LYS 19 lone 0 65 - 1 - HG LEU 70 - HD2 LYS 19 lone 0 81 - 1 - HG LEU 70 - HD3 LYS 19 lone 0 81 - 1 - Peak 3006 from cnoeabs.peaks (1.10, 1.59, 29.87 ppm; 3.57 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 19 + HD3 LYS 19 OK 100 100 - 100 - 3.0=100 HG2 LYS 19 + HD2 LYS 19 OK 100 100 - 100 - 3.0=100 Peak 3007 from cnoeabs.peaks (1.60, 1.59, 29.87 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 19 + HD3 LYS 19 OK 100 100 - 100 HD2 LYS 19 + HD2 LYS 19 OK 100 100 - 100 Reference assignment not found: HG3 LYS 19 - HD3 LYS 19 Peak 3008 from cnoeabs.peaks (1.59, 1.59, 29.87 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 19 + HD3 LYS 19 OK 100 100 - 100 HD2 LYS 19 + HD2 LYS 19 OK 100 100 - 100 Reference assignment not found: HD2 LYS 19 - HD3 LYS 19 Peak 3009 from cnoeabs.peaks (1.59, 1.59, 29.87 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 19 + HD3 LYS 19 OK 100 100 - 100 HD2 LYS 19 + HD2 LYS 19 OK 100 100 - 100 Peak 3010 from cnoeabs.peaks (2.70, 1.59, 29.87 ppm; 3.60 A): 4 out of 4 assignments used, quality = 1.00: HE3 LYS 19 + HD2 LYS 19 OK 100 100 - 100 - 3.0=100 HE3 LYS 19 + HD3 LYS 19 OK 100 100 - 100 - 3.0=100 HE2 LYS 19 + HD2 LYS 19 OK 100 100 - 100 - 3.0=100 * HE2 LYS 19 + HD3 LYS 19 OK 100 100 - 100 - 3.0=100 Peak 3011 from cnoeabs.peaks (2.70, 1.59, 29.87 ppm; 3.60 A): 4 out of 4 assignments used, quality = 1.00: HE3 LYS 19 + HD2 LYS 19 OK 100 100 - 100 - 3.0=100 * HE3 LYS 19 + HD3 LYS 19 OK 100 100 - 100 - 3.0=100 HE2 LYS 19 + HD2 LYS 19 OK 100 100 - 100 - 3.0=100 HE2 LYS 19 + HD3 LYS 19 OK 100 100 - 100 - 3.0=100 Peak 3012 from cnoeabs.peaks (8.53, 2.70, 41.78 ppm; 6.20 A): 2 out of 9 assignments used, quality = 1.00: H LYS 19 + HE3 LYS 19 OK 98 100 - 98 - 7.1=66, 1133/4.0=43...(15) * H LYS 19 + HE2 LYS 19 OK 98 100 - 98 - 7.1=66, 1133/4.0=43...(15) H ILE 57 - HE3 LYS 19 OK 44 94 - 47 - 4.9/9558=18...(7) H ILE 57 - HE2 LYS 19 OK 44 94 - 47 - 4.9/9558=18...(7) H ASN 88 - HE2 LYS 19 lone 4 99 - 4 - H ASN 88 - HE3 LYS 19 lone 4 99 - 4 - H LYS 19 - HE2 LYS 61 lone 3 68 - 4 - H ILE 57 - HE2 LYS 61 lone 2 59 - 3 - H ASN 88 - HE2 LYS 61 lone 1 65 - 2 - Peak 3014 from cnoeabs.peaks (1.79, 2.70, 41.78 ppm; 4.63 A): 2 out of 27 assignments used, quality = 1.00: HB2 LYS 19 + HE3 LYS 19 OK 95 100 - 95 - 5.0=80, 3004/3.0=18...(15) * HB2 LYS 19 + HE2 LYS 19 OK 95 100 - 95 - 5.0=80, 3004/3.0=18...(15) HB VAL 32 - HE3 LYS 19 OK 14 87 - 16 - 2.1/9297=4, ~9297=4...(7) HB VAL 32 - HE2 LYS 19 OK 14 87 - 16 - 2.1/9297=4, ~9297=4...(7) HG12 ILE 5 - HE2 LYS 19 OK 11 61 - 18 - 3.2/11032=3, ~10913=3...(8) HG12 ILE 5 - HE3 LYS 19 OK 11 61 - 18 - 3.2/11032=3, ~10913=3...(8) HB2 LEU 64 - HE2 LYS 61 poor 10 68 - 14 - 8097/6.5=13 HB2 LEU 64 - HE2 LYS 19 lone 6 100 - 6 - 3.1/11032=2, ~11032=1 HB2 LEU 64 - HE3 LYS 19 lone 6 100 - 6 - 3.1/11032=2, ~11032=1 HB3 GLN 28 - HE3 LYS 19 lone 2 99 - 2 - HB3 GLN 28 - HE2 LYS 19 lone 2 99 - 2 - HB2 LYS 19 - HE2 LYS 61 lone 1 68 - 2 - HB2 ARG 118 - HE3 LYS 19 lone 1 90 - 1 - HB2 ARG 118 - HE2 LYS 19 lone 1 90 - 1 - HG2 ARG 105 - HE3 LYS 19 lone 1 70 - 1 - HG2 ARG 105 - HE2 LYS 19 lone 1 70 - 1 - HB2 LEU 90 - HE3 LYS 19 lone 1 87 - 1 - HB2 LEU 90 - HE2 LYS 19 lone 1 87 - 1 - HB2 ARG 118 - HE2 LYS 61 lone 1 55 - 2 - HB VAL 32 - HE2 LYS 61 lone 1 53 - 1 - HB ILE 3 - HE2 LYS 19 lone 1 65 - 1 - HB ILE 3 - HE3 LYS 19 lone 1 65 - 1 - HB3 GLN 28 - HE2 LYS 61 lone 1 65 - 1 - HB2 LEU 90 - HE2 LYS 61 lone 1 53 - 1 - HG12 ILE 5 - HE2 LYS 61 lone 0 35 - 1 - HG2 ARG 105 - HE2 LYS 61 lone 0 40 - 1 - HB ILE 3 - HE2 LYS 61 lone 0 37 - 1 - Peak 3015 from cnoeabs.peaks (1.83, 2.70, 41.78 ppm; 4.71 A): 4 out of 30 assignments used, quality = 1.00: HB3 LYS 19 + HE3 LYS 19 OK 96 100 - 96 - 5.0=85, 1.8/3014=14...(14) * HB3 LYS 19 + HE2 LYS 19 OK 96 100 - 96 - 5.0=85, 1.8/3014=14...(14) HB ILE 57 + HE3 LYS 19 OK 54 90 - 60 - 3.2/9558=16...(12) HB ILE 57 + HE2 LYS 19 OK 54 90 - 60 - 3.2/9558=16...(12) HB ILE 18 - HE3 LYS 19 OK 19 84 - 23 - 7384/7.1=9, 2.1/11033=5...(6) HB ILE 18 - HE2 LYS 19 OK 19 84 - 23 - 7384/7.1=9, 2.1/11033=5...(6) QE MET 121 - HE2 LYS 19 lone 6 99 - 6 - 10601/9558=3 QE MET 121 - HE3 LYS 19 lone 6 99 - 6 - 10601/9558=3 HB2 LEU 14 - HE3 LYS 19 lone 3 90 - 3 - HB2 LEU 14 - HE2 LYS 19 lone 3 90 - 3 - HB ILE 57 - HE2 LYS 61 lone 2 55 - 3 - ~9564=1 HB3 LYS 77 - HE2 LYS 19 lone 1 97 - 1 - HB3 LYS 77 - HE3 LYS 19 lone 1 97 - 1 - HB2 LYS 77 - HE2 LYS 19 lone 1 94 - 1 - HB2 LYS 77 - HE3 LYS 19 lone 1 94 - 1 - HB3 LYS 19 - HE2 LYS 61 lone 1 68 - 2 - HD2 LYS 123 - HE3 LYS 19 lone 1 94 - 1 - HD2 LYS 123 - HE2 LYS 19 lone 1 94 - 1 - HB3 ARG 105 - HE2 LYS 19 lone 1 65 - 1 - HB3 ARG 105 - HE3 LYS 19 lone 1 65 - 1 - HG LEU 70 - HE3 LYS 19 lone 1 81 - 1 - HG LEU 70 - HE2 LYS 19 lone 1 81 - 1 - HB2 LEU 14 - HE2 LYS 61 lone 1 55 - 1 - HG LEU 70 - HE2 LYS 61 lone 1 48 - 1 - QE MET 121 - HE2 LYS 61 lone 1 66 - 1 - HB ILE 18 - HE2 LYS 61 lone 1 50 - 1 - HB3 LYS 77 - HE2 LYS 61 lone 1 63 - 1 - HB2 LYS 77 - HE2 LYS 61 lone 0 59 - 1 - HD2 LYS 123 - HE2 LYS 61 lone 0 59 - 1 - HB3 ARG 105 - HE2 LYS 61 lone 0 37 - 1 - Peak 3016 from cnoeabs.peaks (1.10, 2.70, 41.78 ppm; 3.74 A): 1 out of 1 assignment used, quality = 0.68: HD3 LYS 61 + HE2 LYS 61 OK 68 68 - 100 - 3.0=100 Reference assignment not found: HG2 LYS 19 - HE2 LYS 19 Peak 3017 from cnoeabs.peaks (1.60, 2.70, 41.78 ppm; 3.28 A): 4 out of 4 assignments used, quality = 1.00: HD3 LYS 19 + HE2 LYS 19 OK 100 100 - 100 - 3.0=100 HD3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 - 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 100 100 - 100 - 3.0=100 HD2 LYS 19 + HE3 LYS 19 OK 100 100 - 100 - 3.0=100 Reference assignment not found: HG3 LYS 19 - HE2 LYS 19 Peak 3018 from cnoeabs.peaks (1.59, 2.70, 41.78 ppm; 3.28 A): 4 out of 4 assignments used, quality = 1.00: HD3 LYS 19 + HE2 LYS 19 OK 100 100 - 100 - 3.0=100 HD3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 - 3.0=100 * HD2 LYS 19 + HE2 LYS 19 OK 100 100 - 100 - 3.0=100 HD2 LYS 19 + HE3 LYS 19 OK 100 100 - 100 - 3.0=100 Peak 3019 from cnoeabs.peaks (1.59, 2.70, 41.78 ppm; 3.28 A): 4 out of 4 assignments used, quality = 1.00: * HD3 LYS 19 + HE2 LYS 19 OK 100 100 - 100 - 3.0=100 HD3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 - 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 100 100 - 100 - 3.0=100 HD2 LYS 19 + HE3 LYS 19 OK 100 100 - 100 - 3.0=100 Peak 3020 from cnoeabs.peaks (2.70, 2.70, 41.78 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HE3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 * HE2 LYS 19 + HE2 LYS 19 OK 100 100 - 100 HE2 LYS 61 + HE2 LYS 61 OK 50 50 - 100 Peak 3021 from cnoeabs.peaks (2.70, 2.70, 41.78 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HE3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 HE2 LYS 19 + HE2 LYS 19 OK 100 100 - 100 HE2 LYS 61 + HE2 LYS 61 OK 50 50 - 100 Reference assignment not found: HE3 LYS 19 - HE2 LYS 19 Peak 3022 from cnoeabs.peaks (8.53, 2.70, 41.78 ppm; 6.20 A): 2 out of 9 assignments used, quality = 1.00: * H LYS 19 + HE3 LYS 19 OK 98 100 - 98 - 7.1=66, 1133/4.0=43...(15) H LYS 19 + HE2 LYS 19 OK 98 100 - 98 - 7.1=66, 1133/4.0=43...(15) H ILE 57 - HE3 LYS 19 OK 44 94 - 47 - 4.9/9558=18...(7) H ILE 57 - HE2 LYS 19 OK 44 94 - 47 - 4.9/9558=18...(7) H ASN 88 - HE2 LYS 19 lone 4 99 - 4 - H ASN 88 - HE3 LYS 19 lone 4 99 - 4 - H LYS 19 - HE2 LYS 61 lone 3 68 - 4 - H ILE 57 - HE2 LYS 61 lone 2 59 - 3 - H ASN 88 - HE2 LYS 61 lone 1 65 - 2 - Peak 3024 from cnoeabs.peaks (1.79, 2.70, 41.78 ppm; 4.63 A): 2 out of 27 assignments used, quality = 1.00: * HB2 LYS 19 + HE3 LYS 19 OK 95 100 - 95 - 5.0=80, 3004/3.0=18...(15) HB2 LYS 19 + HE2 LYS 19 OK 95 100 - 95 - 5.0=80, 3004/3.0=18...(15) HB VAL 32 - HE3 LYS 19 OK 14 87 - 16 - 2.1/9297=4, ~9297=4...(7) HB VAL 32 - HE2 LYS 19 OK 14 87 - 16 - 2.1/9297=4, ~9297=4...(7) HG12 ILE 5 - HE2 LYS 19 OK 11 61 - 18 - 3.2/11032=3, ~10913=3...(8) HG12 ILE 5 - HE3 LYS 19 OK 11 61 - 18 - 3.2/11032=3, ~10913=3...(8) HB2 LEU 64 - HE2 LYS 61 poor 10 68 - 14 - 8097/6.5=13 HB2 LEU 64 - HE2 LYS 19 lone 6 100 - 6 - 3.1/11032=2, ~11032=1 HB2 LEU 64 - HE3 LYS 19 lone 6 100 - 6 - 3.1/11032=2, ~11032=1 HB3 GLN 28 - HE3 LYS 19 lone 2 99 - 2 - HB3 GLN 28 - HE2 LYS 19 lone 2 99 - 2 - HB2 LYS 19 - HE2 LYS 61 lone 1 68 - 2 - HB2 ARG 118 - HE3 LYS 19 lone 1 90 - 1 - HB2 ARG 118 - HE2 LYS 19 lone 1 90 - 1 - HG2 ARG 105 - HE3 LYS 19 lone 1 70 - 1 - HG2 ARG 105 - HE2 LYS 19 lone 1 70 - 1 - HB2 LEU 90 - HE3 LYS 19 lone 1 87 - 1 - HB2 LEU 90 - HE2 LYS 19 lone 1 87 - 1 - HB2 ARG 118 - HE2 LYS 61 lone 1 55 - 2 - HB VAL 32 - HE2 LYS 61 lone 1 53 - 1 - HB ILE 3 - HE2 LYS 19 lone 1 65 - 1 - HB ILE 3 - HE3 LYS 19 lone 1 65 - 1 - HB3 GLN 28 - HE2 LYS 61 lone 1 65 - 1 - HB2 LEU 90 - HE2 LYS 61 lone 1 53 - 1 - HG12 ILE 5 - HE2 LYS 61 lone 0 35 - 1 - HG2 ARG 105 - HE2 LYS 61 lone 0 40 - 1 - HB ILE 3 - HE2 LYS 61 lone 0 37 - 1 - Peak 3025 from cnoeabs.peaks (1.83, 2.70, 41.78 ppm; 4.71 A): 4 out of 30 assignments used, quality = 1.00: * HB3 LYS 19 + HE3 LYS 19 OK 96 100 - 96 - 5.0=85, 1.8/3014=14...(14) HB3 LYS 19 + HE2 LYS 19 OK 96 100 - 96 - 5.0=85, 1.8/3014=14...(14) HB ILE 57 + HE3 LYS 19 OK 54 90 - 60 - 3.2/9558=16...(12) HB ILE 57 + HE2 LYS 19 OK 54 90 - 60 - 3.2/9558=16...(12) HB ILE 18 - HE3 LYS 19 OK 19 84 - 23 - 7384/7.1=9, 2.1/11033=5...(6) HB ILE 18 - HE2 LYS 19 OK 19 84 - 23 - 7384/7.1=9, 2.1/11033=5...(6) QE MET 121 - HE2 LYS 19 lone 6 99 - 6 - 10601/9558=3 QE MET 121 - HE3 LYS 19 lone 6 99 - 6 - 10601/9558=3 HB2 LEU 14 - HE3 LYS 19 lone 3 90 - 3 - HB2 LEU 14 - HE2 LYS 19 lone 3 90 - 3 - HB ILE 57 - HE2 LYS 61 lone 2 55 - 3 - ~9564=1 HB3 LYS 77 - HE2 LYS 19 lone 1 97 - 1 - HB3 LYS 77 - HE3 LYS 19 lone 1 97 - 1 - HB2 LYS 77 - HE2 LYS 19 lone 1 94 - 1 - HB2 LYS 77 - HE3 LYS 19 lone 1 94 - 1 - HB3 LYS 19 - HE2 LYS 61 lone 1 68 - 2 - HD2 LYS 123 - HE3 LYS 19 lone 1 94 - 1 - HD2 LYS 123 - HE2 LYS 19 lone 1 94 - 1 - HB3 ARG 105 - HE2 LYS 19 lone 1 65 - 1 - HB3 ARG 105 - HE3 LYS 19 lone 1 65 - 1 - HG LEU 70 - HE3 LYS 19 lone 1 81 - 1 - HG LEU 70 - HE2 LYS 19 lone 1 81 - 1 - HB2 LEU 14 - HE2 LYS 61 lone 1 55 - 1 - HG LEU 70 - HE2 LYS 61 lone 1 48 - 1 - QE MET 121 - HE2 LYS 61 lone 1 66 - 1 - HB ILE 18 - HE2 LYS 61 lone 1 50 - 1 - HB3 LYS 77 - HE2 LYS 61 lone 1 63 - 1 - HB2 LYS 77 - HE2 LYS 61 lone 0 59 - 1 - HD2 LYS 123 - HE2 LYS 61 lone 0 59 - 1 - HB3 ARG 105 - HE2 LYS 61 lone 0 37 - 1 - Peak 3026 from cnoeabs.peaks (1.10, 2.70, 41.78 ppm; 3.74 A): 1 out of 1 assignment used, quality = 0.68: HD3 LYS 61 + HE2 LYS 61 OK 68 68 - 100 - 3.0=100 Reference assignment not found: HG2 LYS 19 - HE3 LYS 19 Peak 3027 from cnoeabs.peaks (1.60, 2.70, 41.78 ppm; 3.28 A): 4 out of 4 assignments used, quality = 1.00: HD3 LYS 19 + HE2 LYS 19 OK 100 100 - 100 - 3.0=100 HD3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 - 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 100 100 - 100 - 3.0=100 HD2 LYS 19 + HE3 LYS 19 OK 100 100 - 100 - 3.0=100 Reference assignment not found: HG3 LYS 19 - HE3 LYS 19 Peak 3028 from cnoeabs.peaks (1.59, 2.70, 41.78 ppm; 3.28 A): 4 out of 4 assignments used, quality = 1.00: HD3 LYS 19 + HE2 LYS 19 OK 100 100 - 100 - 3.0=100 HD3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 - 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 100 100 - 100 - 3.0=100 * HD2 LYS 19 + HE3 LYS 19 OK 100 100 - 100 - 3.0=100 Peak 3029 from cnoeabs.peaks (1.59, 2.70, 41.78 ppm; 3.28 A): 4 out of 4 assignments used, quality = 1.00: HD3 LYS 19 + HE2 LYS 19 OK 100 100 - 100 - 3.0=100 * HD3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 - 3.0=100 HD2 LYS 19 + HE2 LYS 19 OK 100 100 - 100 - 3.0=100 HD2 LYS 19 + HE3 LYS 19 OK 100 100 - 100 - 3.0=100 Peak 3030 from cnoeabs.peaks (2.70, 2.70, 41.78 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HE3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 HE2 LYS 19 + HE2 LYS 19 OK 100 100 - 100 HE2 LYS 61 + HE2 LYS 61 OK 50 50 - 100 Reference assignment not found: HE2 LYS 19 - HE3 LYS 19 Peak 3031 from cnoeabs.peaks (2.70, 2.70, 41.78 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HE3 LYS 19 + HE3 LYS 19 OK 100 100 - 100 HE2 LYS 19 + HE2 LYS 19 OK 100 100 - 100 HE2 LYS 61 + HE2 LYS 61 OK 50 50 - 100 Peak 3032 from cnoeabs.peaks (7.30, 4.09, 58.54 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 20 + HA LYS 20 OK 100 100 - 100 - 3.0=100 Peak 3033 from cnoeabs.peaks (4.09, 4.09, 58.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 20 + HA LYS 20 OK 100 100 - 100 Peak 3034 from cnoeabs.peaks (1.89, 4.09, 58.54 ppm; 2.79 A): 2 out of 21 assignments used, quality = 0.99: * HB2 LYS 20 + HA LYS 20 OK 93 100 - 93 - 3.0=80, 2.9/3063=11...(18) HB3 LYS 20 + HA LYS 20 OK 93 100 - 93 - 3.0=80, 2.9/3063=11...(18) HB3 LYS 43 - HA LYS 20 OK 16 90 - 18 - 3.0/3841=4, 3.0/3851=2...(7) HB3 LYS 73 - HA LYS 20 OK 16 99 - 16 - 2.9/3037=3, 3043=2...(6) HB2 LYS 73 - HA LYS 20 OK 16 99 - 16 - 2.9/3037=3, 3043=2...(6) HB2 LYS 43 - HA LYS 20 OK 13 70 - 19 - 3.0/3841=4, 3.0/3851=2...(6) HB3 LYS 16 - HA LYS 20 OK 12 94 - 12 - ~7993=4, ~2004=3...(4) HB2 LYS 16 - HA LYS 20 OK 11 92 - 12 - ~7993=4, ~2004=3...(4) HB2 LEU 45 - HA LYS 20 lone 4 81 - 5 - 1.8/3037=1 HG LEU 45 - HA LYS 20 lone 4 96 - 4 - HB2 ARG 95 - HA LYS 20 lone 3 97 - 3 - HB2 LYS 96 - HA LYS 20 lone 3 90 - 3 - HG2 ARG 95 - HA LYS 20 lone 2 81 - 3 - HB2 LEU 63 - HA LYS 20 lone 2 61 - 3 - 4716/3.6=1 HB3 LYS 44 - HA LYS 20 lone 1 73 - 2 - HB3 ARG 118 - HA LYS 20 lone 1 61 - 1 - HB ILE 71 - HA LYS 20 lone 1 98 - 1 - QE MET 67 - HA LYS 20 lone 1 92 - 1 - HB2 LYS 49 - HA LYS 20 lone 0 94 - 1 - HB ILE 7 - HA LYS 20 lone 0 100 - 0 - HB2 GLU 128 - HA LYS 20 lone 0 90 - 0 - Peak 3035 from cnoeabs.peaks (1.89, 4.09, 58.54 ppm; 2.79 A): 2 out of 21 assignments used, quality = 0.99: HB2 LYS 20 + HA LYS 20 OK 93 100 - 93 - 3.0=80, 2.9/3063=11...(18) * HB3 LYS 20 + HA LYS 20 OK 93 100 - 93 - 3.0=80, 2.9/3063=11...(18) HB3 LYS 43 - HA LYS 20 OK 16 90 - 18 - 3.0/3841=4, 3.0/3851=2...(7) HB3 LYS 73 - HA LYS 20 OK 16 99 - 16 - 2.9/3037=3, 3043=2...(6) HB2 LYS 73 - HA LYS 20 OK 16 99 - 16 - 2.9/3037=3, 3043=2...(6) HB2 LYS 43 - HA LYS 20 OK 13 70 - 19 - 3.0/3841=4, 3.0/3851=2...(6) HB3 LYS 16 - HA LYS 20 OK 12 94 - 12 - ~7993=4, ~2004=3...(4) HB2 LYS 16 - HA LYS 20 OK 11 92 - 12 - ~7993=4, ~2004=3...(4) HB2 LEU 45 - HA LYS 20 lone 4 81 - 5 - 1.8/3037=1 HG LEU 45 - HA LYS 20 lone 4 96 - 4 - HB2 ARG 95 - HA LYS 20 lone 3 97 - 3 - HB2 LYS 96 - HA LYS 20 lone 3 90 - 3 - HG2 ARG 95 - HA LYS 20 lone 2 81 - 3 - HB2 LEU 63 - HA LYS 20 lone 2 61 - 3 - 4716/3.6=1 HB3 LYS 44 - HA LYS 20 lone 1 73 - 2 - HB3 ARG 118 - HA LYS 20 lone 1 61 - 1 - HB ILE 71 - HA LYS 20 lone 1 98 - 1 - QE MET 67 - HA LYS 20 lone 1 92 - 1 - HB2 LYS 49 - HA LYS 20 lone 0 94 - 1 - HB ILE 7 - HA LYS 20 lone 0 100 - 0 - HB2 GLU 128 - HA LYS 20 lone 0 90 - 0 - Peak 3036 from cnoeabs.peaks (1.51, 4.09, 58.54 ppm; 3.51 A): 1 out of 11 assignments used, quality = 0.96: * HG2 LYS 20 + HA LYS 20 OK 96 100 - 96 - 3.8=78, 1.8/3037=23...(23) HG2 LYS 43 - HA LYS 20 OK 36 97 - 37 - 3841=11, 1.8/3851=5...(9) HB3 LEU 14 - HA LYS 20 OK 10 96 - 11 - 1143/3.0=2, 3.1/9168=2...(5) HD3 LYS 17 - HA LYS 20 lone 6 90 - 7 - 1143/3.0=3, 123/3.6=1 QB ALA 124 - HA LYS 20 lone 4 100 - 4 - HB2 LEU 6 - HA LYS 20 lone 2 100 - 2 - HG LEU 38 - HA LYS 20 lone 2 77 - 3 - HB2 LYS 61 - HA LYS 20 lone 1 90 - 1 - HG LEU 6 - HA LYS 20 lone 1 81 - 2 - HB3 ARG 30 - HA LYS 20 lone 1 96 - 1 - HG2 ARG 30 - HA LYS 20 lone 1 94 - 1 - Peak 3037 from cnoeabs.peaks (1.48, 4.09, 58.54 ppm; 3.41 A): 1 out of 14 assignments used, quality = 0.93: * HG3 LYS 20 + HA LYS 20 OK 93 100 - 93 - 3.8=72, 1.8/3063=22...(19) HG3 LYS 73 - HA LYS 20 OK 28 100 - 28 - 1144/3.0=4, 3.0/3038=2...(9) HG12 ILE 57 - HA LYS 20 poor 8 73 - 11 - ~9203=4, 1144/3.0=3...(5) HB3 LEU 45 - HA LYS 20 lone 7 92 - 7 - 4.3/2070=2 HG3 ARG 118 - HA LYS 20 lone 3 97 - 3 - HB3 LEU 38 - HA LYS 20 lone 2 77 - 3 - HB2 LEU 74 - HA LYS 20 lone 2 92 - 2 - HB3 LEU 6 - HA LYS 20 lone 1 65 - 2 - HG2 LYS 39 - HA LYS 20 lone 1 61 - 2 - HG2 LYS 106 - HA LYS 20 lone 1 73 - 2 - HG2 LYS 49 - HA LYS 20 lone 1 65 - 1 - HG3 LYS 49 - HA LYS 20 lone 1 65 - 1 - HD2 LYS 53 - HA LYS 20 lone 1 99 - 1 - HG12 ILE 7 - HA LYS 20 lone 0 70 - 1 - Peak 3038 from cnoeabs.peaks (1.69, 4.09, 58.54 ppm; 3.31 A): 2 out of 24 assignments used, quality = 0.96: * HD2 LYS 20 + HA LYS 20 OK 79 100 - 79 - 5.3=25, 3.0/3063=16...(24) HD3 LYS 20 + HA LYS 20 OK 79 100 - 79 - 5.3=25, 3.0/3063=16...(24) HD3 LYS 43 - HA LYS 20 OK 31 99 - 31 - 2.9/3841=6, 2.9/3851=3...(10) HD2 LYS 73 - HA LYS 20 OK 29 100 - 30 - 3.0/3037=5, 3093=2...(10) HD2 LYS 43 - HA LYS 20 OK 29 94 - 31 - 2.9/3841=6, 2.9/3851=3...(11) HD3 LYS 73 - HA LYS 20 OK 29 99 - 30 - 3.0/3037=5, 3093=2...(10) HD2 LYS 40 - HA LYS 20 lone 9 98 - 10 - HD3 LYS 40 - HA LYS 20 lone 9 97 - 10 - HD3 LYS 96 - HA LYS 20 lone 7 99 - 7 - HD2 LYS 96 - HA LYS 20 lone 7 97 - 7 - HD2 LYS 16 - HA LYS 20 lone 7 100 - 7 - HD3 LYS 16 - HA LYS 20 lone 7 100 - 7 - HD2 LYS 17 - HA LYS 20 lone 5 97 - 5 - ~1143=1, 1.8/3036=1 HB ILE 56 - HA LYS 20 lone 4 100 - 4 - ~9203=2 HG3 ARG 95 - HA LYS 20 lone 3 87 - 4 - HG3 LYS 39 - HA LYS 20 lone 2 90 - 2 - HD2 LYS 44 - HA LYS 20 lone 2 84 - 2 - HD3 LYS 39 - HA LYS 20 lone 2 70 - 2 - HD3 LYS 44 - HA LYS 20 lone 2 77 - 2 - HD2 LYS 39 - HA LYS 20 lone 2 65 - 2 - HG LEU 74 - HA LYS 20 lone 1 73 - 1 - HG12 ILE 71 - HA LYS 20 lone 1 98 - 1 - HG3 LYS 123 - HA LYS 20 lone 0 90 - 1 - HB ILE 54 - HA LYS 20 lone 0 98 - 0 - Peak 3039 from cnoeabs.peaks (1.69, 4.09, 58.54 ppm; 3.31 A): 2 out of 24 assignments used, quality = 0.96: HD2 LYS 20 + HA LYS 20 OK 79 100 - 79 - 5.3=25, 3.0/3063=16...(24) * HD3 LYS 20 + HA LYS 20 OK 79 100 - 79 - 5.3=25, 3.0/3063=16...(24) HD3 LYS 43 - HA LYS 20 OK 31 100 - 31 - 2.9/3841=6, 2.9/3851=3...(10) HD2 LYS 43 - HA LYS 20 OK 30 96 - 31 - 2.9/3841=6, 2.9/3851=3...(11) HD2 LYS 73 - HA LYS 20 OK 29 100 - 30 - 3.0/3037=5, 3093=2...(10) HD3 LYS 73 - HA LYS 20 OK 29 100 - 30 - 3.0/3037=5, 3093=2...(10) HD2 LYS 40 - HA LYS 20 lone 10 99 - 10 - HD3 LYS 40 - HA LYS 20 lone 9 98 - 10 - HD3 LYS 96 - HA LYS 20 lone 7 99 - 7 - HD2 LYS 96 - HA LYS 20 lone 7 98 - 7 - HD2 LYS 16 - HA LYS 20 lone 7 100 - 7 - HD3 LYS 16 - HA LYS 20 lone 7 100 - 7 - HD2 LYS 17 - HA LYS 20 lone 5 98 - 5 - ~1143=1, 1.8/3036=1 HB ILE 56 - HA LYS 20 lone 4 100 - 4 - ~9203=2 HG3 ARG 95 - HA LYS 20 lone 3 90 - 4 - HG3 LYS 39 - HA LYS 20 lone 2 87 - 2 - HD2 LYS 44 - HA LYS 20 lone 2 81 - 2 - HD3 LYS 39 - HA LYS 20 lone 2 65 - 2 - HD3 LYS 44 - HA LYS 20 lone 1 73 - 2 - HD2 LYS 39 - HA LYS 20 lone 1 61 - 2 - HG LEU 74 - HA LYS 20 lone 1 70 - 1 - HG12 ILE 71 - HA LYS 20 lone 1 97 - 1 - HB ILE 54 - HA LYS 20 lone 0 99 - 0 - HG3 LYS 123 - HA LYS 20 lone 0 87 - 1 - Peak 3042 from cnoeabs.peaks (7.30, 1.89, 31.98 ppm; 3.26 A): 2 out of 16 assignments used, quality = 0.99: * H LYS 20 + HB2 LYS 20 OK 88 100 - 88 - 3.9=58, 3072/2.9=16...(20) H LYS 20 + HB3 LYS 20 OK 88 100 - 88 - 3.9=58, 3072/2.9=16...(20) H LYS 20 - HB3 LYS 73 OK 17 86 - 20 - 1144/2.9=4, 1142=3...(8) H LYS 20 - HB2 LYS 73 OK 16 84 - 20 - 1144/2.9=4, 1142=3...(8) H LYS 20 - HB3 LYS 43 OK 15 78 - 19 - 1143/3.0=3, 1141=2...(9) H LYS 20 - HB3 LYS 16 OK 13 69 - 19 - 2004/3.0=9, 1141=3...(5) H LYS 20 - HB2 LYS 16 OK 13 65 - 19 - 2004/3.0=9, 1142=3...(5) H LYS 20 - HB2 LYS 96 lone 2 74 - 3 - HE21 GLN 100 - HB2 LYS 20 lone 1 70 - 1 - HE21 GLN 100 - HB3 LYS 20 lone 1 70 - 1 - HE21 GLN 100 - HB3 LYS 73 lone 0 53 - 0 - HE21 GLN 100 - HB2 LYS 73 lone 0 52 - 0 - HE21 GLN 100 - HB2 LYS 96 lone 0 44 - 0 - HE21 GLN 100 - HB3 LYS 16 lone 0 41 - 0 - HE21 GLN 100 - HB2 LYS 16 lone 0 38 - 0 - HE21 GLN 100 - HB3 LYS 43 lone 0 47 - 0 - Peak 3043 from cnoeabs.peaks (4.09, 1.89, 31.98 ppm; 2.70 A): 3 out of 40 assignments used, quality = 1.00: * HA LYS 20 + HB2 LYS 20 OK 90 100 - 90 - 3.0=73, 3063/2.9=10...(18) HA LYS 20 + HB3 LYS 20 OK 90 100 - 90 - 3.0=73, 3063/2.9=10...(18) HA LYS 43 + HB3 LYS 43 OK 67 78 - 86 - 3.0=73, 3814/3.0=10...(19) HA LYS 43 - HB3 LYS 20 OK 25 100 - 25 - 3814/2.9=5, 3073/2.9=4...(9) HA LYS 43 - HB2 LYS 20 OK 25 100 - 25 - 3814/2.9=5, 3073/2.9=4...(9) HA LYS 20 - HB3 LYS 73 OK 14 86 - 16 - 3037/2.9=3, 3034=2...(6) HA LYS 20 - HB2 LYS 73 OK 13 84 - 16 - 3037/2.9=3, 3034=2...(6) HA LYS 20 - HB3 LYS 43 OK 13 78 - 17 - 3841/3.0=4, 3034=3...(7) HA LYS 20 - HB3 LYS 16 poor 9 69 - 13 - ~7993=3, ~2004=3, 3034=2...(5) HA LYS 20 - HB2 LYS 16 poor 8 65 - 13 - ~7993=3, ~2004=3, 3035=2...(5) HA LYS 43 - HB3 LYS 73 lone 5 86 - 6 - HA LYS 43 - HB2 LYS 73 lone 5 84 - 6 - HA ASP 110 - HB2 LYS 20 lone 4 96 - 4 - HA ASP 110 - HB3 LYS 20 lone 4 96 - 4 - HA LYS 43 - HB2 LYS 96 lone 4 74 - 5 - 3.6/254=1 HA ASP 110 - HB3 LYS 43 lone 3 70 - 4 - 3841/3.0=1 HA LYS 20 - HB2 LYS 96 lone 2 74 - 3 - HA GLN 62 - HB3 LYS 20 lone 1 65 - 2 - HA GLN 62 - HB2 LYS 20 lone 1 65 - 2 - HA ASP 110 - HB3 LYS 16 lone 1 62 - 2 - HA ASP 110 - HB2 LYS 16 lone 1 58 - 2 - HA LYS 43 - HB3 LYS 16 lone 1 69 - 1 - HA LYS 43 - HB2 LYS 16 lone 1 65 - 1 - HA GLU 91 - HB2 LYS 96 lone 1 53 - 1 - HA GLU 91 - HB2 LYS 20 lone 0 81 - 1 - HA GLU 91 - HB3 LYS 20 lone 0 81 - 1 - HA GLU 91 - HB3 LYS 43 lone 0 56 - 1 - HA ASP 110 - HB2 LYS 96 lone 0 67 - 0 - HA ASP 110 - HB3 LYS 73 lone 0 78 - 0 - HA ASP 110 - HB2 LYS 73 lone 0 77 - 0 - HA GLU 91 - HB3 LYS 16 lone 0 49 - 0 - HA GLU 91 - HB2 LYS 16 lone 0 46 - 0 - HA GLN 62 - HB3 LYS 43 lone 0 44 - 0 - HA GLU 91 - HB3 LYS 73 lone 0 63 - 0 - HA GLU 91 - HB2 LYS 73 lone 0 61 - 0 - HA GLN 62 - HB2 LYS 96 lone 0 41 - 0 - HA GLN 62 - HB3 LYS 73 lone 0 50 - 0 - HA GLN 62 - HB2 LYS 73 lone 0 48 - 0 - HA GLN 62 - HB3 LYS 16 lone 0 38 - 0 - HA GLN 62 - HB2 LYS 16 lone 0 35 - 0 - Peak 3044 from cnoeabs.peaks (1.89, 1.89, 31.98 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: * HB2 LYS 20 + HB2 LYS 20 OK 100 100 - 100 HB3 LYS 20 + HB3 LYS 20 OK 100 100 - 100 HB3 LYS 73 + HB3 LYS 73 OK 84 84 - 100 HB2 LYS 73 + HB2 LYS 73 OK 81 81 - 100 HB3 LYS 43 + HB3 LYS 43 OK 64 64 - 100 HB2 LYS 96 + HB2 LYS 96 OK 60 60 - 100 HB3 LYS 16 + HB3 LYS 16 OK 60 60 - 100 HB2 LYS 16 + HB2 LYS 16 OK 55 55 - 100 Peak 3045 from cnoeabs.peaks (1.89, 1.89, 31.98 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HB2 LYS 20 + HB2 LYS 20 OK 100 100 - 100 HB3 LYS 20 + HB3 LYS 20 OK 100 100 - 100 HB3 LYS 73 + HB3 LYS 73 OK 84 84 - 100 HB2 LYS 73 + HB2 LYS 73 OK 81 81 - 100 HB3 LYS 43 + HB3 LYS 43 OK 64 64 - 100 HB2 LYS 96 + HB2 LYS 96 OK 60 60 - 100 HB3 LYS 16 + HB3 LYS 16 OK 60 60 - 100 HB2 LYS 16 + HB2 LYS 16 OK 55 55 - 100 Reference assignment not found: HB3 LYS 20 - HB2 LYS 20 Peak 3046 from cnoeabs.peaks (1.51, 1.89, 31.98 ppm; 3.00 A): 3 out of 3 assignments used, quality = 1.00: HG2 LYS 20 + HB3 LYS 20 OK 100 100 - 100 - 2.9=100 * HG2 LYS 20 + HB2 LYS 20 OK 100 100 - 100 - 2.9=100 HG2 LYS 43 + HB3 LYS 43 OK 72 72 - 100 - 3.0=100 Peak 3047 from cnoeabs.peaks (1.48, 1.89, 31.98 ppm; 2.82 A): 4 out of 112 assignments used, quality = 1.00: * HG3 LYS 20 + HB2 LYS 20 OK 97 100 - 97 - 2.9=92, 3037/3.0=11...(24) HG3 LYS 20 + HB3 LYS 20 OK 97 100 - 97 - 2.9=92, 3037/3.0=11...(24) HG3 LYS 73 + HB3 LYS 73 OK 84 86 - 98 - 2.9=96, 5128/3.0=10...(23) HG3 LYS 73 + HB2 LYS 73 OK 82 84 - 98 - 2.9=96, 5128/3.0=10...(23) HG3 LYS 73 - HB2 LYS 20 OK 24 100 - 24 - 3037/3.0=3, 1144/3.9=2...(4) HG3 LYS 73 - HB3 LYS 20 OK 24 100 - 24 - 3037/3.0=3, 1144/3.9=2...(4) HG3 LYS 20 - HB3 LYS 43 OK 18 78 - 24 - 3073/3.0=4, ~3063=3...(5) HG3 LYS 20 - HB3 LYS 73 OK 16 86 - 18 - 5128/3.0=2, 1481/4.0=2...(4) HG3 LYS 20 - HB2 LYS 73 OK 15 84 - 18 - 5128/3.0=2, 1481/4.0=2...(4) HG3 LYS 73 - HB3 LYS 43 poor 10 78 - 12 - 5170/3.8=1, 5170/3.8=1...(4) HB3 LEU 45 - HB3 LYS 73 poor 9 74 - 12 - 5128/3.0=1, 1481/4.0=1...(4) HB3 LEU 45 - HB2 LYS 73 poor 9 72 - 12 - 5128/3.0=1, 1481/4.0=1...(4) HB3 LEU 45 - HB2 LYS 20 lone 7 92 - 8 - HB3 LEU 45 - HB3 LYS 20 lone 7 92 - 8 - HG3 LYS 73 - HB2 LYS 96 lone 7 74 - 9 - HB2 LEU 74 - HB3 LYS 73 lone 6 74 - 9 - 1488/4.3=4, 1481/4.0=2 HB2 LEU 74 - HB2 LYS 73 lone 6 72 - 9 - 1488/4.3=4, 1481/4.0=2 HG3 LYS 20 - HB2 LYS 96 lone 6 74 - 8 - HB3 LEU 45 - HB3 LYS 43 lone 5 66 - 7 - 4.3/275=1 HG2 LYS 39 - HB2 LYS 96 lone 4 38 - 9 - 7475/4.1=2, 3588/4.6=1 HG3 LYS 73 - HB3 LYS 16 lone 3 69 - 5 - 7672/4.0=1 HG3 LYS 73 - HB2 LYS 16 lone 3 65 - 5 - 7672/4.0=1 HG3 LYS 20 - HB3 LYS 16 lone 3 69 - 4 - HG3 LYS 20 - HB2 LYS 16 lone 3 65 - 4 - HB2 LEU 74 - HB3 LYS 16 lone 3 58 - 5 - 3.1/11277=1, ~11277=1 HG3 ARG 118 - HB3 LYS 20 lone 2 97 - 2 - HG3 ARG 118 - HB2 LYS 20 lone 2 97 - 2 - HB2 LEU 74 - HB2 LYS 16 lone 2 55 - 5 - 3.1/11277=1, ~11277=1 HB3 LEU 45 - HB2 LYS 96 lone 2 63 - 4 - HG12 ILE 57 - HB3 LYS 20 lone 2 73 - 3 - 1144/3.9=1 HG12 ILE 57 - HB2 LYS 20 lone 2 73 - 3 - 1144/3.9=1 HB3 LEU 38 - HB2 LYS 96 lone 2 50 - 4 - 4.6/613=1 HB3 LEU 38 - HB2 LYS 20 lone 2 77 - 2 - HB3 LEU 38 - HB3 LYS 20 lone 2 77 - 2 - HB2 LEU 74 - HB2 LYS 20 lone 1 92 - 2 - HB2 LEU 74 - HB3 LYS 20 lone 1 92 - 2 - HB3 LEU 6 - HB2 LYS 20 lone 1 65 - 2 - HB3 LEU 6 - HB3 LYS 20 lone 1 65 - 2 - HB3 LEU 38 - HB3 LYS 16 lone 1 46 - 3 - HB3 LEU 38 - HB2 LYS 16 lone 1 43 - 3 - HG2 LYS 39 - HB3 LYS 20 lone 1 61 - 2 - HG2 LYS 39 - HB2 LYS 20 lone 1 61 - 2 - HG2 LYS 49 - HB2 LYS 20 lone 1 65 - 1 - HG3 LYS 49 - HB3 LYS 20 lone 1 65 - 1 - HG3 LYS 49 - HB2 LYS 20 lone 1 65 - 1 - HG2 LYS 49 - HB3 LYS 20 lone 1 65 - 1 - HB3 LEU 38 - HB3 LYS 73 lone 1 60 - 1 - HB3 LEU 38 - HB2 LYS 73 lone 1 58 - 1 - HG2 LYS 39 - HB3 LYS 43 lone 1 41 - 2 - HG2 LYS 39 - HB3 LYS 73 lone 1 47 - 1 - HG2 LYS 39 - HB2 LYS 73 lone 1 45 - 1 - HG3 ARG 118 - HB3 LYS 73 lone 1 80 - 1 - HG3 ARG 118 - HB2 LYS 73 lone 1 78 - 1 - HG2 LYS 106 - HB3 LYS 20 lone 1 73 - 1 - HG2 LYS 106 - HB2 LYS 20 lone 1 73 - 1 - HB3 LEU 45 - HB3 LYS 16 lone 1 58 - 1 - HB3 LEU 45 - HB2 LYS 16 lone 1 55 - 1 - HG12 ILE 7 - HB2 LYS 20 lone 0 70 - 1 - HG12 ILE 7 - HB3 LYS 20 lone 0 70 - 1 - HB3 LEU 38 - HB3 LYS 43 lone 0 53 - 1 - HD2 LYS 53 - HB2 LYS 20 lone 0 99 - 0 - HD2 LYS 53 - HB3 LYS 20 lone 0 99 - 0 - HB3 LEU 6 - HB3 LYS 43 lone 0 44 - 1 - HG2 LYS 106 - HB2 LYS 96 lone 0 47 - 1 - HG3 LYS 49 - HB3 LYS 73 lone 0 50 - 1 - HG2 LYS 49 - HB3 LYS 73 lone 0 50 - 1 - HB3 LEU 6 - HB3 LYS 73 lone 0 50 - 1 - HD2 LYS 53 - HB3 LYS 73 lone 0 84 - 0 - HG2 LYS 49 - HB2 LYS 73 lone 0 48 - 1 - HG3 LYS 49 - HB2 LYS 73 lone 0 48 - 1 - HB3 LEU 6 - HB2 LYS 73 lone 0 48 - 1 - HD2 LYS 53 - HB2 LYS 73 lone 0 82 - 0 - HG3 LYS 49 - HB2 LYS 96 lone 0 41 - 1 - HG2 LYS 49 - HB2 LYS 96 lone 0 41 - 1 - HG12 ILE 57 - HB3 LYS 73 lone 0 57 - 1 - HG3 ARG 118 - HB3 LYS 16 lone 0 63 - 0 - HG12 ILE 57 - HB2 LYS 73 lone 0 55 - 1 - HB3 LEU 6 - HB2 LYS 96 lone 0 41 - 1 - HG3 ARG 118 - HB2 LYS 16 lone 0 60 - 0 - HG12 ILE 57 - HB3 LYS 16 lone 0 43 - 1 - HG2 LYS 39 - HB3 LYS 16 lone 0 35 - 1 - HG12 ILE 57 - HB2 LYS 16 lone 0 41 - 1 - HG2 LYS 49 - HB3 LYS 43 lone 0 44 - 1 - HG3 LYS 49 - HB3 LYS 43 lone 0 44 - 1 - HG3 ARG 118 - HB3 LYS 43 lone 0 72 - 0 - HG12 ILE 7 - HB3 LYS 73 lone 0 53 - 0 - HG2 LYS 39 - HB2 LYS 16 lone 0 33 - 1 - HG12 ILE 7 - HB2 LYS 73 lone 0 52 - 0 - HB2 LEU 74 - HB3 LYS 43 lone 0 66 - 0 - HG2 LYS 106 - HB3 LYS 73 lone 0 57 - 0 - HG2 LYS 106 - HB2 LYS 73 lone 0 55 - 0 - HG12 ILE 57 - HB3 LYS 43 lone 0 50 - 0 - HG2 LYS 106 - HB3 LYS 43 lone 0 50 - 0 - HB2 LEU 74 - HB2 LYS 96 lone 0 63 - 0 - HG12 ILE 7 - HB3 LYS 43 lone 0 47 - 0 - HG12 ILE 7 - HB2 LYS 96 lone 0 44 - 0 - HG3 ARG 118 - HB2 LYS 96 lone 0 68 - 0 - HD2 LYS 53 - HB3 LYS 43 lone 0 76 - 0 - HG2 LYS 106 - HB3 LYS 16 lone 0 43 - 0 - HB3 LEU 6 - HB3 LYS 16 lone 0 38 - 0 - HD2 LYS 53 - HB2 LYS 96 lone 0 72 - 0 - HG2 LYS 106 - HB2 LYS 16 lone 0 41 - 0 - HD2 LYS 53 - HB3 LYS 16 lone 0 67 - 0 - HB3 LEU 6 - HB2 LYS 16 lone 0 35 - 0 - HD2 LYS 53 - HB2 LYS 16 lone 0 63 - 0 - HG12 ILE 7 - HB3 LYS 16 lone 0 41 - 0 - HG3 LYS 49 - HB3 LYS 16 lone 0 38 - 0 - HG2 LYS 49 - HB3 LYS 16 lone 0 38 - 0 - HG12 ILE 57 - HB2 LYS 96 lone 0 47 - 0 - HG12 ILE 7 - HB2 LYS 16 lone 0 38 - 0 - HG2 LYS 49 - HB2 LYS 16 lone 0 35 - 0 - HG3 LYS 49 - HB2 LYS 16 lone 0 35 - 0 - Peak 3048 from cnoeabs.peaks (1.69, 1.89, 31.98 ppm; 2.67 A): 16 out of 192 assignments used, quality = 1.00: * HD2 LYS 20 + HB2 LYS 20 OK 80 100 - 80 - 3.4=46, 3078/2.9=6...(37) HD2 LYS 20 + HB3 LYS 20 OK 80 100 - 80 - 3.4=46, 3078/2.9=6...(37) HD3 LYS 20 + HB3 LYS 20 OK 80 100 - 80 - 3.4=46, 3078/2.9=6...(37) HD3 LYS 20 + HB2 LYS 20 OK 80 100 - 80 - 3.4=46, 3078/2.9=6...(37) HD2 LYS 73 + HB3 LYS 73 OK 62 85 - 73 - 3.8=33, 5169/2.9=6...(35) HD3 LYS 73 + HB3 LYS 73 OK 61 84 - 73 - 3.8=33, 5169/2.9=6...(35) HD2 LYS 73 + HB2 LYS 73 OK 60 83 - 73 - 3.8=33, 5169/2.9=6...(35) HD3 LYS 73 + HB2 LYS 73 OK 60 82 - 73 - 3.8=33, 5169/2.9=6...(35) HD3 LYS 96 + HB2 LYS 96 OK 58 71 - 81 - 3.4=46, 6097/1.8=8...(37) HD2 LYS 96 + HB2 LYS 96 OK 56 68 - 81 - 3.4=46, 6097/1.8=8...(38) HD3 LYS 16 + HB3 LYS 16 OK 54 69 - 79 - 3.6=40, 2757/3.0=7...(45) HD2 LYS 16 + HB3 LYS 16 OK 54 69 - 78 - 3.6=40, 2757/3.0=7...(45) HD3 LYS 43 + HB3 LYS 43 OK 53 76 - 69 - 3.8=34, 3847/3.0=6...(27) HD3 LYS 16 + HB2 LYS 16 OK 51 65 - 78 - 3.6=40, 2757/3.0=7...(45) HD2 LYS 16 + HB2 LYS 16 OK 51 65 - 78 - 3.6=40, 2757/3.0=7...(45) HD2 LYS 43 + HB3 LYS 43 OK 47 68 - 69 - 3.8=34, 3847/3.0=6...(27) HD2 LYS 73 - HB2 LYS 20 OK 29 100 - 29 - 3078/2.9=2, 3068/2.9=2 HD2 LYS 73 - HB3 LYS 20 OK 29 100 - 29 - 3078/2.9=2, 3068/2.9=2 HD3 LYS 73 - HB3 LYS 20 OK 29 99 - 29 - 3079/2.9=2, 3069/2.9=2 HD3 LYS 73 - HB2 LYS 20 OK 29 99 - 29 - 3079/2.9=2, 3069/2.9=2 HD3 LYS 43 - HB3 LYS 20 OK 29 99 - 29 - 3069/2.9=2, 3079/2.9=2...(5) HD3 LYS 43 - HB2 LYS 20 OK 29 99 - 29 - 3069/2.9=2, 3079/2.9=2...(5) HD2 LYS 43 - HB3 LYS 20 OK 27 94 - 29 - 3069/2.9=2, 3079/2.9=2...(5) HD2 LYS 43 - HB2 LYS 20 OK 27 94 - 29 - 3069/2.9=2, 3079/2.9=2...(5) HD2 LYS 44 - HB2 LYS 96 OK 22 55 - 40 - 6098/1.8=3, 3954/2.9=2...(14) HD3 LYS 44 - HB2 LYS 96 OK 20 50 - 40 - 3954/2.9=2, 3955/2.9=2...(14) HD2 LYS 20 - HB3 LYS 43 OK 19 78 - 24 - 3817/3.0=2, 3847/3.0=1...(5) HD3 LYS 20 - HB3 LYS 43 OK 19 78 - 24 - 3817/3.0=2, 3847/3.0=1...(5) HD2 LYS 20 - HB3 LYS 73 OK 19 86 - 22 - 5169/2.9=2, 5177/2.9=1 HD3 LYS 20 - HB3 LYS 73 OK 19 86 - 22 - 5169/2.9=2, 5177/2.9=1 HD2 LYS 20 - HB2 LYS 73 OK 18 84 - 22 - 5169/2.9=2, 5177/2.9=1 HD3 LYS 20 - HB2 LYS 73 OK 18 84 - 22 - 5169/2.9=2, 5177/2.9=1 HD3 LYS 43 - HB3 LYS 73 OK 17 84 - 21 - 5169/2.9=1, 5177/2.9=1 HD2 LYS 40 - HB3 LYS 16 OK 17 65 - 27 - 2756/3.0=2, 2766/3.0=2...(6) HD3 LYS 43 - HB2 LYS 73 OK 17 82 - 21 - 5169/2.9=1, 5177/2.9=1 HD3 LYS 40 - HB3 LYS 16 OK 17 63 - 27 - 2756/3.0=2, 2766/3.0=2...(6) HD2 LYS 40 - HB2 LYS 16 OK 16 61 - 27 - 2756/3.0=2, 2766/3.0=2...(6) HD2 LYS 43 - HB3 LYS 73 OK 16 76 - 21 - 5170/2.9=2, 5187/2.9=1 HD3 LYS 40 - HB2 LYS 16 OK 16 60 - 27 - 2756/3.0=2, 2766/3.0=2...(6) HD2 LYS 43 - HB2 LYS 73 OK 16 75 - 21 - 5170/2.9=2, 5187/2.9=1 HD2 LYS 73 - HB3 LYS 43 OK 13 77 - 17 - 3847/3.0=1 HD3 LYS 73 - HB3 LYS 43 OK 13 76 - 17 - 3847/3.0=1 HD2 LYS 40 - HB2 LYS 20 OK 13 98 - 13 - HD2 LYS 40 - HB3 LYS 20 OK 13 98 - 13 - HD3 LYS 40 - HB3 LYS 20 OK 13 97 - 13 - HD3 LYS 40 - HB2 LYS 20 OK 13 97 - 13 - HG3 ARG 95 - HB2 LYS 96 OK 13 58 - 22 - 1.8/6041=3, 6049=3...(8) HD2 LYS 73 - HB2 LYS 96 OK 11 73 - 15 - 6097/1.8=2 HD2 LYS 20 - HB2 LYS 96 OK 11 74 - 14 - 6097/1.8=1 HD3 LYS 73 - HB2 LYS 96 OK 11 72 - 15 - 6097/1.8=2 HD3 LYS 20 - HB2 LYS 96 OK 11 74 - 14 - 6097/1.8=1 HD3 LYS 96 - HB2 LYS 20 lone 10 99 - 10 - HD3 LYS 96 - HB3 LYS 20 lone 10 99 - 10 - HD2 LYS 96 - HB3 LYS 20 lone 10 97 - 10 - HD2 LYS 96 - HB2 LYS 20 lone 10 97 - 10 - HD3 LYS 43 - HB2 LYS 96 poor 9 72 - 12 - 6097/1.8=1 HD2 LYS 43 - HB2 LYS 96 poor 8 65 - 12 - 6097/1.8=1 HD2 LYS 40 - HB3 LYS 43 poor 8 74 - 11 - HD3 LYS 96 - HB3 LYS 73 lone 8 83 - 9 - HD3 LYS 40 - HB3 LYS 43 poor 8 72 - 11 - HD3 LYS 96 - HB2 LYS 73 lone 8 81 - 9 - HD2 LYS 96 - HB3 LYS 73 lone 8 80 - 9 - HD3 LYS 96 - HB3 LYS 43 lone 7 75 - 10 - HD2 LYS 96 - HB2 LYS 73 lone 7 78 - 9 - HD2 LYS 96 - HB3 LYS 43 lone 7 72 - 9 - HD2 LYS 40 - HB2 LYS 96 lone 7 70 - 9 - 6077/3.0=1 HD3 LYS 40 - HB2 LYS 96 lone 7 68 - 10 - 6077/3.0=1 HG3 LYS 39 - HB2 LYS 96 poor 6 60 - 10 - 7476/4.1=2, 3598/4.6=2 HD2 LYS 44 - HB3 LYS 43 lone 6 59 - 10 - 3950/4.7=2 HD2 LYS 17 - HB3 LYS 16 lone 6 63 - 9 - 2860/4.7=4, 4.8/7996=2 HD2 LYS 16 - HB2 LYS 20 lone 5 100 - 5 - HD2 LYS 16 - HB3 LYS 20 lone 5 100 - 5 - HD3 LYS 16 - HB3 LYS 20 lone 5 100 - 5 - HD3 LYS 16 - HB2 LYS 20 lone 5 100 - 5 - HD2 LYS 17 - HB2 LYS 16 lone 5 60 - 9 - 2860/4.7=4, 4.8/7996=2 HD3 LYS 44 - HB3 LYS 43 lone 5 53 - 10 - 3950/4.7=2 HG3 ARG 95 - HB2 LYS 20 lone 5 87 - 6 - HG3 ARG 95 - HB3 LYS 20 lone 5 87 - 6 - HD2 LYS 17 - HB2 LYS 20 lone 5 97 - 5 - 4.8/7998=2 HD2 LYS 17 - HB3 LYS 20 lone 5 97 - 5 - 4.8/7998=2 HD2 LYS 40 - HB3 LYS 73 lone 5 82 - 6 - HD3 LYS 40 - HB3 LYS 73 lone 5 80 - 6 - HD2 LYS 40 - HB2 LYS 73 lone 5 80 - 6 - HD3 LYS 40 - HB2 LYS 73 lone 5 78 - 6 - HD2 LYS 16 - HB3 LYS 73 lone 4 86 - 4 - HD2 LYS 16 - HB2 LYS 73 lone 4 84 - 5 - HG12 ILE 71 - HB3 LYS 73 lone 4 82 - 5 - 4.6/1467=1 HD2 LYS 20 - HB3 LYS 16 lone 4 69 - 6 - HD3 LYS 20 - HB3 LYS 16 lone 4 69 - 6 - HD3 LYS 16 - HB2 LYS 73 lone 4 84 - 4 - HG12 ILE 71 - HB2 LYS 73 lone 4 80 - 5 - 4.6/1467=1 HD3 LYS 16 - HB3 LYS 73 lone 4 86 - 4 - HD2 LYS 20 - HB2 LYS 16 lone 4 65 - 6 - HD3 LYS 20 - HB2 LYS 16 lone 4 65 - 6 - HG LEU 74 - HB3 LYS 73 lone 4 57 - 6 - 5234/4.3=4 HD3 LYS 39 - HB2 LYS 96 lone 4 44 - 8 - HD2 LYS 73 - HB3 LYS 16 lone 3 68 - 5 - HG LEU 74 - HB2 LYS 73 lone 3 55 - 6 - 5234/4.3=4 HD3 LYS 73 - HB3 LYS 16 lone 3 67 - 5 - HD2 LYS 73 - HB2 LYS 16 lone 3 64 - 5 - HD3 LYS 73 - HB2 LYS 16 lone 3 63 - 5 - HD2 LYS 39 - HB2 LYS 96 lone 3 41 - 8 - HG3 ARG 95 - HB3 LYS 73 lone 3 69 - 5 - HG3 ARG 95 - HB2 LYS 73 lone 3 67 - 5 - HD2 LYS 44 - HB3 LYS 73 lone 3 66 - 4 - HB ILE 56 - HB2 LYS 20 lone 2 100 - 2 - HB ILE 56 - HB3 LYS 20 lone 2 100 - 2 - HD2 LYS 44 - HB2 LYS 73 lone 2 64 - 4 - HD2 LYS 16 - HB2 LYS 96 lone 2 74 - 3 - HD3 LYS 44 - HB3 LYS 73 lone 2 60 - 4 - HD3 LYS 16 - HB2 LYS 96 lone 2 74 - 3 - HG3 LYS 123 - HB2 LYS 96 lone 2 60 - 4 - HD3 LYS 44 - HB2 LYS 73 lone 2 58 - 4 - HG3 ARG 95 - HB3 LYS 43 lone 2 61 - 4 - HG LEU 74 - HB3 LYS 16 lone 2 43 - 5 - ~11277=1, 2.1/11277=1 HG LEU 74 - HB2 LYS 16 lone 2 41 - 5 - ~11277=1, 2.1/11277=1 HG12 ILE 71 - HB2 LYS 96 lone 2 70 - 3 - HD3 LYS 39 - HB2 LYS 20 lone 2 70 - 2 - HD3 LYS 39 - HB3 LYS 20 lone 2 70 - 2 - HD2 LYS 44 - HB3 LYS 20 lone 2 84 - 2 - HD2 LYS 44 - HB2 LYS 20 lone 2 84 - 2 - HD2 LYS 39 - HB2 LYS 20 lone 2 65 - 2 - HD2 LYS 39 - HB3 LYS 20 lone 2 65 - 2 - HG3 ARG 95 - HB3 LYS 16 lone 2 54 - 3 - HD3 LYS 44 - HB3 LYS 20 lone 2 77 - 2 - HD3 LYS 44 - HB2 LYS 20 lone 2 77 - 2 - HG3 ARG 95 - HB2 LYS 16 lone 2 50 - 3 - HD3 LYS 39 - HB3 LYS 73 lone 2 53 - 3 - HD3 LYS 39 - HB2 LYS 73 lone 1 52 - 3 - HD2 LYS 39 - HB3 LYS 73 lone 1 50 - 3 - HD2 LYS 39 - HB2 LYS 73 lone 1 48 - 3 - HD3 LYS 39 - HB3 LYS 43 lone 1 47 - 3 - HG3 LYS 39 - HB3 LYS 43 lone 1 64 - 2 - HG3 LYS 39 - HB2 LYS 20 lone 1 90 - 1 - HG3 LYS 39 - HB3 LYS 20 lone 1 90 - 1 - HD2 LYS 39 - HB3 LYS 43 lone 1 44 - 3 - HG3 LYS 123 - HB3 LYS 43 lone 1 64 - 2 - HD3 LYS 43 - HB3 LYS 16 lone 1 67 - 2 - HD2 LYS 16 - HB3 LYS 43 lone 1 78 - 1 - HD3 LYS 16 - HB3 LYS 43 lone 1 78 - 1 - HD2 LYS 44 - HB3 LYS 16 lone 1 51 - 2 - HD3 LYS 43 - HB2 LYS 16 lone 1 63 - 2 - HD2 LYS 17 - HB3 LYS 43 lone 1 72 - 1 - HD3 LYS 44 - HB3 LYS 16 lone 1 46 - 2 - HB ILE 56 - HB3 LYS 16 lone 1 69 - 1 - HD2 LYS 44 - HB2 LYS 16 lone 1 48 - 2 - HD2 LYS 43 - HB3 LYS 16 lone 1 60 - 2 - HD3 LYS 96 - HB3 LYS 16 lone 1 66 - 1 - HG3 LYS 39 - HB3 LYS 73 lone 1 72 - 1 - HD3 LYS 44 - HB2 LYS 16 lone 1 43 - 2 - HD2 LYS 96 - HB3 LYS 16 lone 1 63 - 1 - HD2 LYS 43 - HB2 LYS 16 lone 1 56 - 2 - HD3 LYS 96 - HB2 LYS 16 lone 1 62 - 1 - HG3 LYS 39 - HB2 LYS 73 lone 1 70 - 1 - HD2 LYS 96 - HB2 LYS 16 lone 1 60 - 1 - HG LEU 74 - HB3 LYS 20 lone 1 73 - 1 - HG LEU 74 - HB2 LYS 20 lone 1 73 - 1 - HB ILE 56 - HB2 LYS 16 lone 1 65 - 1 - HB ILE 56 - HB2 LYS 96 lone 1 74 - 1 - HG12 ILE 71 - HB2 LYS 20 lone 1 98 - 1 - HG12 ILE 71 - HB3 LYS 20 lone 1 98 - 1 - HB ILE 54 - HB2 LYS 20 lone 1 98 - 1 - HB ILE 54 - HB3 LYS 20 lone 1 98 - 1 - HD2 LYS 17 - HB3 LYS 73 lone 1 80 - 1 - HD2 LYS 17 - HB2 LYS 73 lone 1 78 - 1 - HG3 LYS 123 - HB3 LYS 73 lone 1 72 - 1 - HD2 LYS 17 - HB2 LYS 96 lone 1 68 - 1 - HG3 LYS 123 - HB2 LYS 73 lone 1 70 - 1 - HG3 LYS 123 - HB3 LYS 16 lone 1 56 - 1 - HG3 LYS 123 - HB2 LYS 16 lone 1 52 - 1 - HG3 LYS 123 - HB3 LYS 20 lone 0 90 - 1 - HG3 LYS 123 - HB2 LYS 20 lone 0 90 - 1 - HG12 ILE 71 - HB3 LYS 16 lone 0 65 - 1 - HB ILE 56 - HB3 LYS 43 lone 0 78 - 1 - HG12 ILE 71 - HB2 LYS 16 lone 0 61 - 1 - HG3 LYS 39 - HB3 LYS 16 lone 0 56 - 1 - HB ILE 56 - HB3 LYS 73 lone 0 86 - 0 - HG3 LYS 39 - HB2 LYS 16 lone 0 52 - 1 - HB ILE 56 - HB2 LYS 73 lone 0 84 - 0 - HB ILE 54 - HB3 LYS 16 lone 0 65 - 1 - HG12 ILE 71 - HB3 LYS 43 lone 0 74 - 0 - HB ILE 54 - HB3 LYS 73 lone 0 82 - 0 - HB ILE 54 - HB2 LYS 16 lone 0 61 - 1 - HB ILE 54 - HB2 LYS 96 lone 0 70 - 0 - HB ILE 54 - HB2 LYS 73 lone 0 80 - 0 - HD3 LYS 39 - HB3 LYS 16 lone 0 41 - 1 - HD3 LYS 39 - HB2 LYS 16 lone 0 38 - 1 - HD2 LYS 39 - HB3 LYS 16 lone 0 38 - 1 - HD2 LYS 39 - HB2 LYS 16 lone 0 35 - 1 - HB ILE 54 - HB3 LYS 43 lone 0 74 - 0 - HG LEU 74 - HB2 LYS 96 lone 0 47 - 0 - HG LEU 74 - HB3 LYS 43 lone 0 50 - 0 - Peak 3049 from cnoeabs.peaks (1.69, 1.89, 31.98 ppm; 2.67 A): 16 out of 192 assignments used, quality = 1.00: HD2 LYS 20 + HB2 LYS 20 OK 80 100 - 80 - 3.4=46, 3078/2.9=6...(37) HD2 LYS 20 + HB3 LYS 20 OK 80 100 - 80 - 3.4=46, 3078/2.9=6...(37) * HD3 LYS 20 + HB2 LYS 20 OK 80 100 - 80 - 3.4=46, 3078/2.9=6...(37) HD3 LYS 20 + HB3 LYS 20 OK 80 100 - 80 - 3.4=46, 3078/2.9=6...(37) HD2 LYS 73 + HB3 LYS 73 OK 62 86 - 73 - 3.8=33, 5170/2.9=6...(35) HD3 LYS 73 + HB3 LYS 73 OK 62 85 - 73 - 3.8=33, 5170/2.9=6...(35) HD2 LYS 73 + HB2 LYS 73 OK 61 84 - 73 - 3.8=33, 5170/2.9=6...(35) HD3 LYS 73 + HB2 LYS 73 OK 60 83 - 73 - 3.8=33, 5170/2.9=6...(35) HD3 LYS 96 + HB2 LYS 96 OK 59 72 - 81 - 3.4=46, 6097/1.8=8...(37) HD2 LYS 96 + HB2 LYS 96 OK 57 70 - 82 - 3.4=46, 6097/1.8=8...(38) HD2 LYS 16 + HB3 LYS 16 OK 54 69 - 78 - 3.6=40, 2756/3.0=7...(45) HD3 LYS 16 + HB3 LYS 16 OK 54 69 - 78 - 3.6=40, 2757/3.0=7...(45) HD3 LYS 43 + HB3 LYS 43 OK 53 77 - 69 - 3.8=34, 3847/3.0=6...(27) HD2 LYS 16 + HB2 LYS 16 OK 51 65 - 78 - 3.6=40, 2756/3.0=7...(45) HD3 LYS 16 + HB2 LYS 16 OK 51 65 - 78 - 3.6=40, 2757/3.0=7...(45) HD2 LYS 43 + HB3 LYS 43 OK 49 70 - 69 - 3.8=34, 3847/3.0=6...(27) HD2 LYS 73 - HB3 LYS 20 OK 29 100 - 29 - 3078/2.9=2, 3068/2.9=2 HD2 LYS 73 - HB2 LYS 20 OK 29 100 - 29 - 3078/2.9=2, 3068/2.9=2 HD3 LYS 73 - HB2 LYS 20 OK 29 100 - 29 - 3079/2.9=2, 3069/2.9=2 HD3 LYS 73 - HB3 LYS 20 OK 29 100 - 29 - 3079/2.9=2, 3069/2.9=2 HD3 LYS 43 - HB2 LYS 20 OK 29 100 - 29 - 3069/2.9=2, 3079/2.9=2...(5) HD3 LYS 43 - HB3 LYS 20 OK 29 100 - 29 - 3069/2.9=2, 3079/2.9=2...(5) HD2 LYS 43 - HB2 LYS 20 OK 28 96 - 29 - 3069/2.9=2, 3079/2.9=2...(5) HD2 LYS 43 - HB3 LYS 20 OK 28 96 - 29 - 3069/2.9=2, 3079/2.9=2...(5) HD2 LYS 44 - HB2 LYS 96 OK 21 53 - 40 - 6098/1.8=3, 3954/2.9=2...(14) HD2 LYS 20 - HB3 LYS 43 OK 19 78 - 24 - 3817/3.0=2, 3847/3.0=1...(5) HD3 LYS 20 - HB3 LYS 43 OK 19 78 - 24 - 3817/3.0=2, 3847/3.0=1...(5) HD3 LYS 20 - HB3 LYS 73 OK 19 86 - 22 - 5170/2.9=2, 5177/2.9=1 HD2 LYS 20 - HB3 LYS 73 OK 19 86 - 22 - 5169/2.9=2, 5177/2.9=1 HD3 LYS 44 - HB2 LYS 96 OK 19 47 - 40 - 3954/2.9=2, 3955/2.9=2...(14) HD3 LYS 20 - HB2 LYS 73 OK 18 84 - 22 - 5170/2.9=2, 5177/2.9=1 HD2 LYS 20 - HB2 LYS 73 OK 18 84 - 22 - 5169/2.9=2, 5177/2.9=1 HD3 LYS 43 - HB3 LYS 73 OK 18 85 - 21 - 5170/2.9=2, 5177/2.9=1 HD2 LYS 40 - HB3 LYS 16 OK 17 66 - 27 - 2756/3.0=2, 2766/3.0=2...(6) HD3 LYS 43 - HB2 LYS 73 OK 17 83 - 21 - 5170/2.9=2, 5177/2.9=1 HD3 LYS 40 - HB3 LYS 16 OK 17 65 - 27 - 2756/3.0=2, 2766/3.0=2...(6) HD2 LYS 43 - HB3 LYS 73 OK 16 78 - 21 - 5170/2.9=2, 5187/2.9=1 HD2 LYS 40 - HB2 LYS 16 OK 16 62 - 27 - 2756/3.0=2, 2766/3.0=2...(6) HD3 LYS 40 - HB2 LYS 16 OK 16 61 - 27 - 2756/3.0=2, 2766/3.0=2...(6) HD2 LYS 43 - HB2 LYS 73 OK 16 77 - 21 - 5170/2.9=2, 5187/2.9=1 HG3 ARG 95 - HB2 LYS 96 OK 13 60 - 22 - 6049=3, 1.8/6041=3...(8) HD2 LYS 73 - HB3 LYS 43 OK 13 78 - 17 - 3847/3.0=1 HD3 LYS 73 - HB3 LYS 43 OK 13 77 - 17 - 3847/3.0=1 HD2 LYS 40 - HB2 LYS 20 OK 13 99 - 13 - HD2 LYS 40 - HB3 LYS 20 OK 13 99 - 13 - HD3 LYS 40 - HB2 LYS 20 OK 13 98 - 13 - HD3 LYS 40 - HB3 LYS 20 OK 13 98 - 13 - HD2 LYS 73 - HB2 LYS 96 OK 11 74 - 15 - 6097/1.8=2 HD3 LYS 73 - HB2 LYS 96 OK 11 73 - 15 - 6097/1.8=2 HD3 LYS 20 - HB2 LYS 96 OK 11 74 - 14 - 6097/1.8=1 HD2 LYS 20 - HB2 LYS 96 OK 11 74 - 14 - 6097/1.8=1 HD3 LYS 96 - HB3 LYS 20 lone 10 99 - 10 - HD3 LYS 96 - HB2 LYS 20 lone 10 99 - 10 - HD2 LYS 96 - HB3 LYS 20 lone 10 98 - 10 - HD2 LYS 96 - HB2 LYS 20 lone 10 98 - 10 - HD3 LYS 43 - HB2 LYS 96 poor 9 73 - 12 - 6097/1.8=1 HD2 LYS 43 - HB2 LYS 96 poor 8 67 - 12 - 6097/1.8=1 HD2 LYS 40 - HB3 LYS 43 poor 8 75 - 11 - HD3 LYS 96 - HB3 LYS 73 lone 8 84 - 9 - HD3 LYS 40 - HB3 LYS 43 poor 8 74 - 11 - HD2 LYS 96 - HB3 LYS 73 lone 8 82 - 9 - HD3 LYS 96 - HB2 LYS 73 lone 8 82 - 9 - HD2 LYS 96 - HB2 LYS 73 lone 7 80 - 9 - HD3 LYS 96 - HB3 LYS 43 lone 7 76 - 10 - HD2 LYS 96 - HB3 LYS 43 lone 7 74 - 9 - HD2 LYS 40 - HB2 LYS 96 lone 7 71 - 10 - 6077/3.0=1 HD3 LYS 40 - HB2 LYS 96 lone 7 70 - 10 - 6077/3.0=1 HD2 LYS 17 - HB3 LYS 16 lone 6 65 - 9 - 2860/4.7=4, 4.8/7996=2 HG3 LYS 39 - HB2 LYS 96 lone 6 58 - 10 - 7476/4.1=2, 3598/4.6=2 HD2 LYS 17 - HB2 LYS 16 lone 6 61 - 9 - 2860/4.7=4, 4.8/7996=2 HD2 LYS 16 - HB2 LYS 20 lone 5 100 - 5 - HD2 LYS 16 - HB3 LYS 20 lone 5 100 - 5 - HD3 LYS 16 - HB2 LYS 20 lone 5 100 - 5 - HD3 LYS 16 - HB3 LYS 20 lone 5 100 - 5 - HD2 LYS 44 - HB3 LYS 43 lone 5 56 - 10 - 3950/4.7=2 HG3 ARG 95 - HB2 LYS 20 lone 5 90 - 6 - HG3 ARG 95 - HB3 LYS 20 lone 5 90 - 6 - HD2 LYS 17 - HB3 LYS 20 lone 5 98 - 5 - 4.8/7998=2 HD2 LYS 17 - HB2 LYS 20 lone 5 98 - 5 - 4.8/7998=2 HD2 LYS 40 - HB3 LYS 73 lone 5 83 - 6 - HD3 LYS 40 - HB3 LYS 73 lone 5 82 - 6 - HD2 LYS 40 - HB2 LYS 73 lone 5 81 - 6 - HD3 LYS 44 - HB3 LYS 43 lone 5 50 - 10 - 3950/4.7=2 HD3 LYS 40 - HB2 LYS 73 lone 5 80 - 6 - HD2 LYS 16 - HB3 LYS 73 lone 4 86 - 4 - HD2 LYS 16 - HB2 LYS 73 lone 4 84 - 5 - HD3 LYS 20 - HB3 LYS 16 lone 4 69 - 6 - HD2 LYS 20 - HB3 LYS 16 lone 4 69 - 6 - HG12 ILE 71 - HB3 LYS 73 lone 4 80 - 5 - 4.6/1467=1 HD3 LYS 16 - HB2 LYS 73 lone 4 84 - 4 - HD3 LYS 16 - HB3 LYS 73 lone 4 86 - 4 - HG12 ILE 71 - HB2 LYS 73 lone 4 78 - 5 - 4.6/1467=1 HD3 LYS 20 - HB2 LYS 16 lone 4 65 - 6 - HD2 LYS 20 - HB2 LYS 16 lone 4 65 - 6 - HD2 LYS 73 - HB3 LYS 16 lone 3 69 - 5 - HD3 LYS 73 - HB3 LYS 16 lone 3 68 - 5 - HG3 ARG 95 - HB3 LYS 73 lone 3 72 - 5 - HD2 LYS 73 - HB2 LYS 16 lone 3 65 - 5 - HD3 LYS 73 - HB2 LYS 16 lone 3 64 - 5 - HG3 ARG 95 - HB2 LYS 73 lone 3 70 - 5 - HD3 LYS 39 - HB2 LYS 96 lone 3 41 - 8 - HG LEU 74 - HB3 LYS 73 lone 3 53 - 6 - 5234/4.3=3 HG LEU 74 - HB2 LYS 73 lone 3 52 - 6 - 5234/4.3=3 HD2 LYS 39 - HB2 LYS 96 lone 3 38 - 8 - HB ILE 56 - HB2 LYS 20 lone 2 100 - 2 - HB ILE 56 - HB3 LYS 20 lone 2 100 - 2 - HD2 LYS 16 - HB2 LYS 96 lone 2 74 - 3 - HD2 LYS 44 - HB3 LYS 73 lone 2 63 - 4 - HG3 ARG 95 - HB3 LYS 43 lone 2 64 - 4 - HD2 LYS 44 - HB2 LYS 73 lone 2 61 - 4 - HD3 LYS 16 - HB2 LYS 96 lone 2 74 - 3 - HD3 LYS 44 - HB3 LYS 73 lone 2 57 - 4 - HG3 LYS 123 - HB2 LYS 96 lone 2 58 - 4 - HD3 LYS 44 - HB2 LYS 73 lone 2 55 - 4 - HG LEU 74 - HB3 LYS 16 lone 2 41 - 5 - ~11277=1, 2.1/11277=1 HG LEU 74 - HB2 LYS 16 lone 2 38 - 5 - ~11277=1, 2.1/11277=1 HG12 ILE 71 - HB2 LYS 96 lone 2 68 - 3 - HG3 ARG 95 - HB3 LYS 16 lone 2 56 - 3 - HD3 LYS 39 - HB2 LYS 20 lone 2 65 - 2 - HD3 LYS 39 - HB3 LYS 20 lone 2 65 - 2 - HD2 LYS 44 - HB3 LYS 20 lone 2 81 - 2 - HD2 LYS 44 - HB2 LYS 20 lone 2 81 - 2 - HG3 ARG 95 - HB2 LYS 16 lone 2 52 - 3 - HD2 LYS 39 - HB3 LYS 20 lone 2 61 - 2 - HD2 LYS 39 - HB2 LYS 20 lone 2 61 - 2 - HD3 LYS 44 - HB2 LYS 20 lone 2 73 - 2 - HD3 LYS 44 - HB3 LYS 20 lone 2 73 - 2 - HD3 LYS 39 - HB3 LYS 73 lone 1 50 - 3 - HD3 LYS 39 - HB2 LYS 73 lone 1 48 - 3 - HD2 LYS 39 - HB3 LYS 73 lone 1 47 - 3 - HD2 LYS 39 - HB2 LYS 73 lone 1 45 - 3 - HD3 LYS 39 - HB3 LYS 43 lone 1 44 - 3 - HG3 LYS 39 - HB3 LYS 43 lone 1 61 - 2 - HG3 LYS 39 - HB3 LYS 20 lone 1 87 - 1 - HG3 LYS 39 - HB2 LYS 20 lone 1 87 - 1 - HD2 LYS 39 - HB3 LYS 43 lone 1 41 - 3 - HG3 LYS 123 - HB3 LYS 43 lone 1 61 - 2 - HD3 LYS 43 - HB3 LYS 16 lone 1 68 - 2 - HD2 LYS 16 - HB3 LYS 43 lone 1 78 - 1 - HD2 LYS 17 - HB3 LYS 43 lone 1 74 - 1 - HD3 LYS 43 - HB2 LYS 16 lone 1 64 - 2 - HD3 LYS 16 - HB3 LYS 43 lone 1 78 - 1 - HD2 LYS 43 - HB3 LYS 16 lone 1 62 - 2 - HD2 LYS 44 - HB3 LYS 16 lone 1 49 - 2 - HD3 LYS 96 - HB3 LYS 16 lone 1 67 - 1 - HB ILE 56 - HB3 LYS 16 lone 1 69 - 1 - HD2 LYS 43 - HB2 LYS 16 lone 1 58 - 2 - HD2 LYS 96 - HB3 LYS 16 lone 1 65 - 1 - HD2 LYS 44 - HB2 LYS 16 lone 1 46 - 2 - HD3 LYS 96 - HB2 LYS 16 lone 1 63 - 1 - HD3 LYS 44 - HB3 LYS 16 lone 1 43 - 2 - HD2 LYS 96 - HB2 LYS 16 lone 1 61 - 1 - HG3 LYS 39 - HB3 LYS 73 lone 1 69 - 1 - HD3 LYS 44 - HB2 LYS 16 lone 1 41 - 2 - HG3 LYS 39 - HB2 LYS 73 lone 1 67 - 1 - HB ILE 56 - HB2 LYS 16 lone 1 65 - 1 - HB ILE 56 - HB2 LYS 96 lone 1 74 - 1 - HG12 ILE 71 - HB2 LYS 20 lone 1 97 - 1 - HG12 ILE 71 - HB3 LYS 20 lone 1 97 - 1 - HG LEU 74 - HB3 LYS 20 lone 1 70 - 1 - HG LEU 74 - HB2 LYS 20 lone 1 70 - 1 - HB ILE 54 - HB3 LYS 20 lone 1 99 - 1 - HB ILE 54 - HB2 LYS 20 lone 1 99 - 1 - HD2 LYS 17 - HB3 LYS 73 lone 1 82 - 1 - HD2 LYS 17 - HB2 LYS 73 lone 1 80 - 1 - HD2 LYS 17 - HB2 LYS 96 lone 1 70 - 1 - HG3 LYS 123 - HB3 LYS 73 lone 1 69 - 1 - HG3 LYS 123 - HB2 LYS 73 lone 1 67 - 1 - HG3 LYS 123 - HB3 LYS 16 lone 1 54 - 1 - HG3 LYS 123 - HB2 LYS 16 lone 1 50 - 1 - HG3 LYS 123 - HB3 LYS 20 lone 0 87 - 1 - HG3 LYS 123 - HB2 LYS 20 lone 0 87 - 1 - HG12 ILE 71 - HB3 LYS 16 lone 0 63 - 1 - HB ILE 56 - HB3 LYS 43 lone 0 78 - 1 - HG12 ILE 71 - HB2 LYS 16 lone 0 60 - 1 - HB ILE 56 - HB3 LYS 73 lone 0 86 - 0 - HG3 LYS 39 - HB3 LYS 16 lone 0 54 - 1 - HB ILE 56 - HB2 LYS 73 lone 0 84 - 0 - HG3 LYS 39 - HB2 LYS 16 lone 0 50 - 1 - HB ILE 54 - HB3 LYS 16 lone 0 66 - 1 - HB ILE 54 - HB3 LYS 73 lone 0 83 - 0 - HG12 ILE 71 - HB3 LYS 43 lone 0 72 - 0 - HB ILE 54 - HB2 LYS 16 lone 0 62 - 1 - HB ILE 54 - HB2 LYS 96 lone 0 71 - 0 - HB ILE 54 - HB2 LYS 73 lone 0 81 - 0 - HD3 LYS 39 - HB3 LYS 16 lone 0 38 - 1 - HD3 LYS 39 - HB2 LYS 16 lone 0 35 - 1 - HD2 LYS 39 - HB3 LYS 16 lone 0 35 - 1 - HB ILE 54 - HB3 LYS 43 lone 0 75 - 0 - HD2 LYS 39 - HB2 LYS 16 lone 0 33 - 1 - HG LEU 74 - HB2 LYS 96 lone 0 44 - 0 - HG LEU 74 - HB3 LYS 43 lone 0 47 - 0 - Peak 3051 from cnoeabs.peaks (2.96, 1.89, 31.98 ppm; 3.94 A): 9 out of 128 assignments used, quality = 1.00: HE2 LYS 20 + HB3 LYS 20 OK 93 100 - 93 - 4.8=54, 3070/2.9=8...(52) * HE3 LYS 20 + HB2 LYS 20 OK 93 100 - 93 - 4.8=54, 3070/2.9=8...(52) HE3 LYS 20 + HB3 LYS 20 OK 93 100 - 93 - 4.8=54, 3070/2.9=8...(52) HE2 LYS 20 + HB2 LYS 20 OK 93 100 - 93 - 4.8=54, 3070/2.9=8...(52) HE3 LYS 73 + HB3 LYS 73 OK 60 66 - 90 - 4.9=52, 5207/2.9=7...(40) HE3 LYS 73 + HB2 LYS 73 OK 58 64 - 90 - 4.9=52, 5207/2.9=7...(39) HE3 LYS 43 + HB3 LYS 43 OK 57 64 - 90 - 4.7=60, 3849/3.0=6...(47) HE2 LYS 43 + HB3 LYS 43 OK 45 50 - 91 - 4.7=60, 3849/3.0=6...(49) HE2 LYS 73 + HB3 LYS 73 OK 45 50 - 91 - 4.9=52, 5207/2.9=7...(43) HE3 LYS 43 - HB3 LYS 20 OK 44 90 - 50 - 3070/2.9=3, 3080/2.9=3...(20) HE3 LYS 43 - HB2 LYS 20 OK 44 90 - 50 - 3070/2.9=3, 3080/2.9=3...(20) HE2 LYS 73 - HB2 LYS 73 OK 44 48 - 91 - 4.9=52, 5207/2.9=7...(43) HE3 LYS 73 - HB3 LYS 20 OK 40 84 - 48 - 3071/2.9=3, 3080/2.9=3...(18) HE3 LYS 73 - HB2 LYS 20 OK 40 84 - 48 - 3071/2.9=3, 3080/2.9=3...(18) HE2 LYS 43 - HB3 LYS 20 OK 38 73 - 52 - 3070/2.9=3, 3080/2.9=3...(22) HE2 LYS 43 - HB2 LYS 20 OK 38 73 - 52 - 3070/2.9=3, 3080/2.9=3...(22) HE2 LYS 73 - HB3 LYS 20 OK 32 65 - 50 - 3081/2.9=2, 3070/2.9=2...(19) HE2 LYS 73 - HB2 LYS 20 OK 32 65 - 50 - 3081/2.9=2, 3070/2.9=2...(19) HE3 LYS 40 - HB2 LYS 20 OK 30 100 - 30 - 3071/2.9=2, 3081/2.9=2...(6) HE3 LYS 40 - HB3 LYS 20 OK 30 100 - 30 - 3071/2.9=2, 3081/2.9=2...(6) HE3 LYS 20 - HB3 LYS 73 OK 30 86 - 35 - 3107/2.9=2, ~5172=1...(15) HE2 LYS 20 - HB3 LYS 73 OK 30 86 - 35 - 3107/2.9=2, ~5172=1...(15) HE2 LYS 40 - HB3 LYS 20 OK 30 99 - 30 - 3070/2.9=2, 3081/2.9=2...(6) HE2 LYS 40 - HB2 LYS 20 OK 30 99 - 30 - 3070/2.9=2, 3081/2.9=2...(6) HE2 LYS 20 - HB2 LYS 73 OK 30 84 - 35 - 3117/2.9=2, ~5172=1...(15) HE3 LYS 20 - HB2 LYS 73 OK 30 84 - 35 - 3117/2.9=2, ~5172=1...(15) HE3 LYS 43 - HB3 LYS 73 OK 29 72 - 41 - 5207/2.9=2, 5172/2.9=2...(15) HE3 LYS 43 - HB2 LYS 73 OK 29 70 - 41 - 5207/2.9=2, 5172/2.9=2...(15) HE3 LYS 20 - HB3 LYS 43 OK 27 78 - 35 - 3106/3.0=2, ~3816=1...(8) HE2 LYS 20 - HB3 LYS 43 OK 27 78 - 35 - 3106/3.0=2, ~3816=1...(8) HE2 LYS 40 - HB3 LYS 16 OK 24 67 - 37 - 3733/3.0=2, 3.0/2773=2...(20) HE3 LYS 40 - HB3 LYS 16 OK 24 69 - 36 - 6530/3.0=2, 3733/3.0=2...(19) HE2 LYS 43 - HB3 LYS 73 OK 23 57 - 42 - 5207/2.9=3, 5172/2.9=2...(17) HE2 LYS 40 - HB2 LYS 16 OK 23 63 - 37 - 3733/3.0=2, 3.0/2773=2...(20) HE3 LYS 40 - HB2 LYS 16 OK 23 65 - 36 - 6530/3.0=2, 3733/3.0=2...(19) HE2 LYS 43 - HB2 LYS 73 OK 23 55 - 42 - 5207/2.9=3, 5172/2.9=2...(17) HE3 LYS 73 - HB3 LYS 43 OK 19 59 - 32 - 3849/3.0=2, ~3848=2...(8) HE3 LYS 40 - HB3 LYS 43 OK 17 78 - 22 - 6.4/8066=2, 3849/3.0=1...(5) HE2 LYS 40 - HB3 LYS 43 OK 16 76 - 21 - 6.4/8066=2, 3849/3.0=1...(4) HE2 LYS 73 - HB3 LYS 43 OK 15 44 - 33 - 3849/3.0=2, ~3848=2...(7) HE3 LYS 20 - HB2 LYS 96 OK 14 74 - 19 - ~6097=1, ~6098=1 HE2 LYS 20 - HB2 LYS 96 OK 14 74 - 19 - ~6097=1, ~6098=1 HE3 LYS 40 - HB3 LYS 73 OK 11 86 - 13 - HE3 LYS 40 - HB2 LYS 73 OK 11 84 - 13 - HE2 LYS 40 - HB3 LYS 73 OK 10 84 - 12 - HE2 LYS 40 - HB2 LYS 73 OK 10 82 - 12 - HE3 LYS 73 - HB2 LYS 96 OK 10 55 - 18 - ~6097=1, ~6098=1...(4) HE2 LYS 40 - HB2 LYS 96 OK 10 72 - 14 - 6.4/8066=2 HE3 LYS 40 - HB2 LYS 96 poor 10 74 - 14 - 6.4/8066=2 HE3 LYS 43 - HB2 LYS 96 poor 10 60 - 16 - ~6097=1 HE2 LYS 73 - HB2 LYS 96 poor 8 41 - 19 - ~6097=1, ~6098=1...(4) HE2 LYS 43 - HB2 LYS 96 poor 8 47 - 16 - ~6097=1 HD3 ARG 118 - HB3 LYS 20 lone 7 97 - 7 - ~7402=1, ~7401=1, 2.9/7400=1 HD3 ARG 118 - HB2 LYS 20 lone 7 97 - 7 - ~7402=1, ~7401=1, 2.9/7400=1 HE3 LYS 20 - HB3 LYS 16 lone 6 69 - 8 - HE2 LYS 20 - HB3 LYS 16 lone 6 69 - 8 - HE2 LYS 39 - HB2 LYS 20 lone 5 77 - 7 - HE2 LYS 39 - HB3 LYS 20 lone 5 77 - 7 - HE3 LYS 20 - HB2 LYS 16 lone 5 65 - 8 - HE2 LYS 20 - HB2 LYS 16 lone 5 65 - 8 - HE2 LYS 39 - HB3 LYS 73 lone 5 60 - 8 - HE2 LYS 39 - HB2 LYS 96 poor 5 50 - 10 - HE2 LYS 39 - HB2 LYS 73 lone 5 58 - 8 - HE3 LYS 39 - HB3 LYS 20 lone 5 70 - 7 - HE3 LYS 39 - HB2 LYS 20 lone 5 70 - 7 - HE3 LYS 39 - HB3 LYS 73 lone 5 53 - 8 - HE3 LYS 39 - HB2 LYS 96 poor 5 44 - 10 - HE3 LYS 39 - HB2 LYS 73 lone 4 52 - 8 - HE2 LYS 39 - HB3 LYS 43 lone 4 53 - 7 - HE3 LYS 39 - HB3 LYS 43 lone 3 47 - 7 - HE3 LYS 73 - HB3 LYS 16 lone 3 51 - 6 - HE3 LYS 73 - HB2 LYS 16 lone 3 48 - 6 - HE3 LYS 106 - HB2 LYS 20 lone 2 90 - 2 - HE3 LYS 106 - HB3 LYS 20 lone 2 90 - 2 - HE2 LYS 106 - HB2 LYS 20 lone 2 87 - 2 - HE2 LYS 106 - HB3 LYS 20 lone 2 87 - 2 - HE2 LYS 73 - HB3 LYS 16 lone 2 38 - 6 - HE2 LYS 73 - HB2 LYS 16 lone 2 35 - 6 - HE3 LYS 43 - HB3 LYS 16 lone 1 56 - 2 - HE3 LYS 43 - HB2 LYS 16 lone 1 52 - 2 - HE3 LYS 106 - HB2 LYS 96 lone 1 60 - 2 - HE2 LYS 106 - HB2 LYS 96 lone 1 58 - 2 - HE2 LYS 43 - HB3 LYS 16 lone 1 43 - 2 - HB2 ASN 24 - HB2 LYS 20 lone 1 100 - 1 - HB3 ASN 24 - HB3 LYS 20 lone 1 100 - 1 - HB3 ASN 24 - HB2 LYS 20 lone 1 100 - 1 - HB2 ASN 24 - HB3 LYS 20 lone 1 100 - 1 - HD3 ARG 118 - HB3 LYS 73 lone 1 80 - 1 - HD3 ARG 118 - HB2 LYS 73 lone 1 78 - 1 - HE2 LYS 43 - HB2 LYS 16 lone 1 41 - 2 - HB3 ASN 24 - HB3 LYS 73 lone 1 85 - 1 - HB2 ASN 24 - HB3 LYS 73 lone 1 85 - 1 - HB3 ASN 24 - HB2 LYS 73 lone 1 83 - 1 - HB2 ASN 24 - HB2 LYS 73 lone 1 83 - 1 - HE3 LYS 106 - HB3 LYS 43 lone 1 64 - 1 - HE2 LYS 106 - HB3 LYS 43 lone 1 61 - 1 - HB3 PHE 51 - HB3 LYS 20 lone 1 100 - 1 - HB3 PHE 51 - HB2 LYS 20 lone 1 100 - 1 - HE2 LYS 39 - HB3 LYS 16 lone 1 46 - 1 - HE2 LYS 39 - HB2 LYS 16 lone 1 43 - 1 - HE3 LYS 39 - HB3 LYS 16 lone 1 41 - 1 - HD3 ARG 118 - HB3 LYS 16 lone 1 63 - 1 - HB2 ASN 24 - HB3 LYS 43 lone 1 77 - 1 - HB3 ASN 24 - HB3 LYS 43 lone 1 77 - 1 - HD3 ARG 118 - HB2 LYS 16 lone 1 60 - 1 - HE3 LYS 39 - HB2 LYS 16 lone 1 38 - 1 - HB3 PHE 51 - HB3 LYS 73 lone 1 85 - 1 - HB3 PHE 51 - HB2 LYS 73 lone 0 83 - 1 - HD3 ARG 118 - HB3 LYS 43 lone 0 72 - 1 - HE3 LYS 106 - HB3 LYS 73 lone 0 72 - 1 - HE3 LYS 106 - HB2 LYS 73 lone 0 70 - 1 - HE2 LYS 106 - HB3 LYS 73 lone 0 69 - 1 - HE2 LYS 106 - HB2 LYS 73 lone 0 67 - 1 - HD3 ARG 118 - HB2 LYS 96 lone 0 68 - 1 - HB3 PHE 51 - HB3 LYS 43 lone 0 77 - 1 - HB3 PHE 51 - HB2 LYS 96 lone 0 73 - 1 - HB3 ASN 24 - HB2 LYS 96 lone 0 73 - 1 - HB2 ASN 24 - HB2 LYS 96 lone 0 73 - 1 - HE3 LYS 106 - HB3 LYS 16 lone 0 56 - 1 - HE2 LYS 106 - HB3 LYS 16 lone 0 54 - 1 - HE3 LYS 106 - HB2 LYS 16 lone 0 52 - 1 - HB2 ASN 24 - HB3 LYS 16 lone 0 68 - 1 - HB3 ASN 24 - HB3 LYS 16 lone 0 68 - 1 - HE2 LYS 106 - HB2 LYS 16 lone 0 50 - 1 - HB3 PHE 51 - HB3 LYS 16 lone 0 68 - 0 - HB3 ASN 24 - HB2 LYS 16 lone 0 64 - 1 - HB2 ASN 24 - HB2 LYS 16 lone 0 64 - 1 - HB3 PHE 51 - HB2 LYS 16 lone 0 64 - 0 - Peak 3052 from cnoeabs.peaks (7.30, 1.89, 31.98 ppm; 3.26 A): 2 out of 16 assignments used, quality = 0.99: H LYS 20 + HB2 LYS 20 OK 88 100 - 88 - 3.9=58, 3072/2.9=16...(20) * H LYS 20 + HB3 LYS 20 OK 88 100 - 88 - 3.9=58, 3072/2.9=16...(20) H LYS 20 - HB3 LYS 73 OK 17 86 - 20 - 1144/2.9=4, 1142=3...(8) H LYS 20 - HB2 LYS 73 OK 16 84 - 20 - 1144/2.9=4, 1142=3...(8) H LYS 20 - HB3 LYS 43 OK 15 78 - 19 - 1143/3.0=3, 1141=2...(9) H LYS 20 - HB3 LYS 16 OK 13 69 - 19 - 2004/3.0=9, 1141=3...(5) H LYS 20 - HB2 LYS 16 OK 13 65 - 19 - 2004/3.0=9, 1142=3...(5) H LYS 20 - HB2 LYS 96 lone 2 74 - 3 - HE21 GLN 100 - HB2 LYS 20 lone 1 70 - 1 - HE21 GLN 100 - HB3 LYS 20 lone 1 70 - 1 - HE21 GLN 100 - HB3 LYS 73 lone 0 53 - 0 - HE21 GLN 100 - HB2 LYS 73 lone 0 52 - 0 - HE21 GLN 100 - HB2 LYS 96 lone 0 44 - 0 - HE21 GLN 100 - HB3 LYS 16 lone 0 41 - 0 - HE21 GLN 100 - HB2 LYS 16 lone 0 38 - 0 - HE21 GLN 100 - HB3 LYS 43 lone 0 47 - 0 - Peak 3053 from cnoeabs.peaks (4.09, 1.89, 31.98 ppm; 2.70 A): 3 out of 40 assignments used, quality = 1.00: HA LYS 20 + HB2 LYS 20 OK 90 100 - 90 - 3.0=73, 3063/2.9=10...(18) * HA LYS 20 + HB3 LYS 20 OK 90 100 - 90 - 3.0=73, 3063/2.9=10...(18) HA LYS 43 + HB3 LYS 43 OK 67 78 - 86 - 3.0=73, 3814/3.0=10...(19) HA LYS 43 - HB3 LYS 20 OK 25 100 - 25 - 3814/2.9=5, 3073/2.9=4...(9) HA LYS 43 - HB2 LYS 20 OK 25 100 - 25 - 3814/2.9=5, 3073/2.9=4...(9) HA LYS 20 - HB3 LYS 73 OK 14 86 - 16 - 3037/2.9=3, 3034=2...(6) HA LYS 20 - HB2 LYS 73 OK 13 84 - 16 - 3037/2.9=3, 3034=2...(6) HA LYS 20 - HB3 LYS 43 OK 13 78 - 17 - 3841/3.0=4, 3034=3...(7) HA LYS 20 - HB3 LYS 16 poor 9 69 - 13 - ~7993=3, ~2004=3, 3034=2...(5) HA LYS 20 - HB2 LYS 16 poor 8 65 - 13 - ~7993=3, ~2004=3, 3035=2...(5) HA LYS 43 - HB3 LYS 73 lone 5 86 - 6 - HA LYS 43 - HB2 LYS 73 lone 5 84 - 6 - HA ASP 110 - HB2 LYS 20 lone 4 96 - 4 - HA ASP 110 - HB3 LYS 20 lone 4 96 - 4 - HA LYS 43 - HB2 LYS 96 lone 4 74 - 5 - 3.6/254=1 HA ASP 110 - HB3 LYS 43 lone 3 70 - 4 - 3841/3.0=1 HA LYS 20 - HB2 LYS 96 lone 2 74 - 3 - HA GLN 62 - HB3 LYS 20 lone 1 65 - 2 - HA GLN 62 - HB2 LYS 20 lone 1 65 - 2 - HA ASP 110 - HB3 LYS 16 lone 1 62 - 2 - HA ASP 110 - HB2 LYS 16 lone 1 58 - 2 - HA LYS 43 - HB3 LYS 16 lone 1 69 - 1 - HA LYS 43 - HB2 LYS 16 lone 1 65 - 1 - HA GLU 91 - HB2 LYS 96 lone 1 53 - 1 - HA GLU 91 - HB2 LYS 20 lone 0 81 - 1 - HA GLU 91 - HB3 LYS 20 lone 0 81 - 1 - HA GLU 91 - HB3 LYS 43 lone 0 56 - 1 - HA ASP 110 - HB2 LYS 96 lone 0 67 - 0 - HA ASP 110 - HB3 LYS 73 lone 0 78 - 0 - HA ASP 110 - HB2 LYS 73 lone 0 77 - 0 - HA GLU 91 - HB3 LYS 16 lone 0 49 - 0 - HA GLU 91 - HB2 LYS 16 lone 0 46 - 0 - HA GLN 62 - HB3 LYS 43 lone 0 44 - 0 - HA GLU 91 - HB3 LYS 73 lone 0 63 - 0 - HA GLU 91 - HB2 LYS 73 lone 0 61 - 0 - HA GLN 62 - HB2 LYS 96 lone 0 41 - 0 - HA GLN 62 - HB3 LYS 73 lone 0 50 - 0 - HA GLN 62 - HB2 LYS 73 lone 0 48 - 0 - HA GLN 62 - HB3 LYS 16 lone 0 38 - 0 - HA GLN 62 - HB2 LYS 16 lone 0 35 - 0 - Peak 3054 from cnoeabs.peaks (1.89, 1.89, 31.98 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HB2 LYS 20 + HB2 LYS 20 OK 100 100 - 100 HB3 LYS 20 + HB3 LYS 20 OK 100 100 - 100 HB3 LYS 73 + HB3 LYS 73 OK 84 84 - 100 HB2 LYS 73 + HB2 LYS 73 OK 81 81 - 100 HB3 LYS 43 + HB3 LYS 43 OK 64 64 - 100 HB2 LYS 96 + HB2 LYS 96 OK 60 60 - 100 HB3 LYS 16 + HB3 LYS 16 OK 60 60 - 100 HB2 LYS 16 + HB2 LYS 16 OK 55 55 - 100 Reference assignment not found: HB2 LYS 20 - HB3 LYS 20 Peak 3055 from cnoeabs.peaks (1.89, 1.89, 31.98 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HB2 LYS 20 + HB2 LYS 20 OK 100 100 - 100 * HB3 LYS 20 + HB3 LYS 20 OK 100 100 - 100 HB3 LYS 73 + HB3 LYS 73 OK 84 84 - 100 HB2 LYS 73 + HB2 LYS 73 OK 81 81 - 100 HB3 LYS 43 + HB3 LYS 43 OK 64 64 - 100 HB2 LYS 96 + HB2 LYS 96 OK 60 60 - 100 HB3 LYS 16 + HB3 LYS 16 OK 60 60 - 100 HB2 LYS 16 + HB2 LYS 16 OK 55 55 - 100 Peak 3056 from cnoeabs.peaks (1.51, 1.89, 31.98 ppm; 3.00 A): 3 out of 3 assignments used, quality = 1.00: * HG2 LYS 20 + HB3 LYS 20 OK 100 100 - 100 - 2.9=100 HG2 LYS 20 + HB2 LYS 20 OK 100 100 - 100 - 2.9=100 HG2 LYS 43 + HB3 LYS 43 OK 72 72 - 100 - 3.0=100 Peak 3057 from cnoeabs.peaks (1.48, 1.89, 31.98 ppm; 2.82 A): 4 out of 112 assignments used, quality = 1.00: HG3 LYS 20 + HB2 LYS 20 OK 97 100 - 97 - 2.9=92, 3037/3.0=11...(24) * HG3 LYS 20 + HB3 LYS 20 OK 97 100 - 97 - 2.9=92, 3037/3.0=11...(24) HG3 LYS 73 + HB3 LYS 73 OK 84 86 - 98 - 2.9=96, 5128/3.0=10...(23) HG3 LYS 73 + HB2 LYS 73 OK 82 84 - 98 - 2.9=96, 5128/3.0=10...(23) HG3 LYS 73 - HB2 LYS 20 OK 24 100 - 24 - 3037/3.0=3, 1144/3.9=2...(4) HG3 LYS 73 - HB3 LYS 20 OK 24 100 - 24 - 3037/3.0=3, 1144/3.9=2...(4) HG3 LYS 20 - HB3 LYS 43 OK 18 78 - 24 - 3073/3.0=4, ~3063=3...(5) HG3 LYS 20 - HB3 LYS 73 OK 16 86 - 18 - 5128/3.0=2, 1481/4.0=2...(4) HG3 LYS 20 - HB2 LYS 73 OK 15 84 - 18 - 5128/3.0=2, 1481/4.0=2...(4) HG3 LYS 73 - HB3 LYS 43 poor 10 78 - 12 - 5170/3.8=1, 5170/3.8=1...(4) HB3 LEU 45 - HB3 LYS 73 poor 9 74 - 12 - 5128/3.0=1, 1481/4.0=1...(4) HB3 LEU 45 - HB2 LYS 73 poor 9 72 - 12 - 5128/3.0=1, 1481/4.0=1...(4) HB3 LEU 45 - HB2 LYS 20 lone 7 92 - 8 - HB3 LEU 45 - HB3 LYS 20 lone 7 92 - 8 - HG3 LYS 73 - HB2 LYS 96 lone 7 74 - 9 - HB2 LEU 74 - HB3 LYS 73 lone 6 74 - 9 - 1488/4.3=4, 1481/4.0=2 HB2 LEU 74 - HB2 LYS 73 lone 6 72 - 9 - 1488/4.3=4, 1481/4.0=2 HG3 LYS 20 - HB2 LYS 96 lone 6 74 - 8 - HB3 LEU 45 - HB3 LYS 43 lone 5 66 - 7 - 4.3/275=1 HG2 LYS 39 - HB2 LYS 96 lone 4 38 - 9 - 7475/4.1=2, 3588/4.6=1 HG3 LYS 73 - HB3 LYS 16 lone 3 69 - 5 - 7672/4.0=1 HG3 LYS 73 - HB2 LYS 16 lone 3 65 - 5 - 7672/4.0=1 HG3 LYS 20 - HB3 LYS 16 lone 3 69 - 4 - HG3 LYS 20 - HB2 LYS 16 lone 3 65 - 4 - HB2 LEU 74 - HB3 LYS 16 lone 3 58 - 5 - 3.1/11277=1, ~11277=1 HG3 ARG 118 - HB3 LYS 20 lone 2 97 - 2 - HG3 ARG 118 - HB2 LYS 20 lone 2 97 - 2 - HB2 LEU 74 - HB2 LYS 16 lone 2 55 - 5 - 3.1/11277=1, ~11277=1 HB3 LEU 45 - HB2 LYS 96 lone 2 63 - 4 - HG12 ILE 57 - HB3 LYS 20 lone 2 73 - 3 - 1144/3.9=1 HG12 ILE 57 - HB2 LYS 20 lone 2 73 - 3 - 1144/3.9=1 HB3 LEU 38 - HB2 LYS 96 lone 2 50 - 4 - 4.6/613=1 HB3 LEU 38 - HB2 LYS 20 lone 2 77 - 2 - HB3 LEU 38 - HB3 LYS 20 lone 2 77 - 2 - HB2 LEU 74 - HB2 LYS 20 lone 1 92 - 2 - HB2 LEU 74 - HB3 LYS 20 lone 1 92 - 2 - HB3 LEU 6 - HB2 LYS 20 lone 1 65 - 2 - HB3 LEU 6 - HB3 LYS 20 lone 1 65 - 2 - HB3 LEU 38 - HB3 LYS 16 lone 1 46 - 3 - HB3 LEU 38 - HB2 LYS 16 lone 1 43 - 3 - HG2 LYS 39 - HB3 LYS 20 lone 1 61 - 2 - HG2 LYS 39 - HB2 LYS 20 lone 1 61 - 2 - HG2 LYS 49 - HB2 LYS 20 lone 1 65 - 1 - HG3 LYS 49 - HB3 LYS 20 lone 1 65 - 1 - HG3 LYS 49 - HB2 LYS 20 lone 1 65 - 1 - HG2 LYS 49 - HB3 LYS 20 lone 1 65 - 1 - HB3 LEU 38 - HB3 LYS 73 lone 1 60 - 1 - HB3 LEU 38 - HB2 LYS 73 lone 1 58 - 1 - HG2 LYS 39 - HB3 LYS 43 lone 1 41 - 2 - HG2 LYS 39 - HB3 LYS 73 lone 1 47 - 1 - HG2 LYS 39 - HB2 LYS 73 lone 1 45 - 1 - HG3 ARG 118 - HB3 LYS 73 lone 1 80 - 1 - HG3 ARG 118 - HB2 LYS 73 lone 1 78 - 1 - HG2 LYS 106 - HB3 LYS 20 lone 1 73 - 1 - HG2 LYS 106 - HB2 LYS 20 lone 1 73 - 1 - HB3 LEU 45 - HB3 LYS 16 lone 1 58 - 1 - HB3 LEU 45 - HB2 LYS 16 lone 1 55 - 1 - HG12 ILE 7 - HB2 LYS 20 lone 0 70 - 1 - HG12 ILE 7 - HB3 LYS 20 lone 0 70 - 1 - HB3 LEU 38 - HB3 LYS 43 lone 0 53 - 1 - HD2 LYS 53 - HB2 LYS 20 lone 0 99 - 0 - HD2 LYS 53 - HB3 LYS 20 lone 0 99 - 0 - HB3 LEU 6 - HB3 LYS 43 lone 0 44 - 1 - HG2 LYS 106 - HB2 LYS 96 lone 0 47 - 1 - HG3 LYS 49 - HB3 LYS 73 lone 0 50 - 1 - HG2 LYS 49 - HB3 LYS 73 lone 0 50 - 1 - HB3 LEU 6 - HB3 LYS 73 lone 0 50 - 1 - HD2 LYS 53 - HB3 LYS 73 lone 0 84 - 0 - HG2 LYS 49 - HB2 LYS 73 lone 0 48 - 1 - HG3 LYS 49 - HB2 LYS 73 lone 0 48 - 1 - HB3 LEU 6 - HB2 LYS 73 lone 0 48 - 1 - HD2 LYS 53 - HB2 LYS 73 lone 0 82 - 0 - HG3 LYS 49 - HB2 LYS 96 lone 0 41 - 1 - HG2 LYS 49 - HB2 LYS 96 lone 0 41 - 1 - HG12 ILE 57 - HB3 LYS 73 lone 0 57 - 1 - HG3 ARG 118 - HB3 LYS 16 lone 0 63 - 0 - HG12 ILE 57 - HB2 LYS 73 lone 0 55 - 1 - HB3 LEU 6 - HB2 LYS 96 lone 0 41 - 1 - HG3 ARG 118 - HB2 LYS 16 lone 0 60 - 0 - HG12 ILE 57 - HB3 LYS 16 lone 0 43 - 1 - HG2 LYS 39 - HB3 LYS 16 lone 0 35 - 1 - HG12 ILE 57 - HB2 LYS 16 lone 0 41 - 1 - HG2 LYS 49 - HB3 LYS 43 lone 0 44 - 1 - HG3 LYS 49 - HB3 LYS 43 lone 0 44 - 1 - HG3 ARG 118 - HB3 LYS 43 lone 0 72 - 0 - HG12 ILE 7 - HB3 LYS 73 lone 0 53 - 0 - HG2 LYS 39 - HB2 LYS 16 lone 0 33 - 1 - HG12 ILE 7 - HB2 LYS 73 lone 0 52 - 0 - HB2 LEU 74 - HB3 LYS 43 lone 0 66 - 0 - HG2 LYS 106 - HB3 LYS 73 lone 0 57 - 0 - HG2 LYS 106 - HB2 LYS 73 lone 0 55 - 0 - HG12 ILE 57 - HB3 LYS 43 lone 0 50 - 0 - HG2 LYS 106 - HB3 LYS 43 lone 0 50 - 0 - HB2 LEU 74 - HB2 LYS 96 lone 0 63 - 0 - HG12 ILE 7 - HB3 LYS 43 lone 0 47 - 0 - HG12 ILE 7 - HB2 LYS 96 lone 0 44 - 0 - HG3 ARG 118 - HB2 LYS 96 lone 0 68 - 0 - HD2 LYS 53 - HB3 LYS 43 lone 0 76 - 0 - HG2 LYS 106 - HB3 LYS 16 lone 0 43 - 0 - HB3 LEU 6 - HB3 LYS 16 lone 0 38 - 0 - HD2 LYS 53 - HB2 LYS 96 lone 0 72 - 0 - HG2 LYS 106 - HB2 LYS 16 lone 0 41 - 0 - HD2 LYS 53 - HB3 LYS 16 lone 0 67 - 0 - HB3 LEU 6 - HB2 LYS 16 lone 0 35 - 0 - HD2 LYS 53 - HB2 LYS 16 lone 0 63 - 0 - HG12 ILE 7 - HB3 LYS 16 lone 0 41 - 0 - HG3 LYS 49 - HB3 LYS 16 lone 0 38 - 0 - HG2 LYS 49 - HB3 LYS 16 lone 0 38 - 0 - HG12 ILE 57 - HB2 LYS 96 lone 0 47 - 0 - HG12 ILE 7 - HB2 LYS 16 lone 0 38 - 0 - HG2 LYS 49 - HB2 LYS 16 lone 0 35 - 0 - HG3 LYS 49 - HB2 LYS 16 lone 0 35 - 0 - Peak 3058 from cnoeabs.peaks (1.69, 1.89, 31.98 ppm; 2.67 A): 16 out of 192 assignments used, quality = 1.00: HD2 LYS 20 + HB2 LYS 20 OK 80 100 - 80 - 3.4=46, 3078/2.9=6...(37) * HD2 LYS 20 + HB3 LYS 20 OK 80 100 - 80 - 3.4=46, 3078/2.9=6...(37) HD3 LYS 20 + HB3 LYS 20 OK 80 100 - 80 - 3.4=46, 3078/2.9=6...(37) HD3 LYS 20 + HB2 LYS 20 OK 80 100 - 80 - 3.4=46, 3078/2.9=6...(37) HD2 LYS 73 + HB3 LYS 73 OK 62 85 - 73 - 3.8=33, 5169/2.9=6...(35) HD3 LYS 73 + HB3 LYS 73 OK 61 84 - 73 - 3.8=33, 5169/2.9=6...(35) HD2 LYS 73 + HB2 LYS 73 OK 60 83 - 73 - 3.8=33, 5169/2.9=6...(35) HD3 LYS 73 + HB2 LYS 73 OK 60 82 - 73 - 3.8=33, 5169/2.9=6...(35) HD3 LYS 96 + HB2 LYS 96 OK 58 71 - 81 - 3.4=46, 6097/1.8=8...(37) HD2 LYS 96 + HB2 LYS 96 OK 56 68 - 81 - 3.4=46, 6097/1.8=8...(38) HD3 LYS 16 + HB3 LYS 16 OK 54 69 - 79 - 3.6=40, 2757/3.0=7...(45) HD2 LYS 16 + HB3 LYS 16 OK 54 69 - 78 - 3.6=40, 2757/3.0=7...(45) HD3 LYS 43 + HB3 LYS 43 OK 53 76 - 69 - 3.8=34, 3847/3.0=6...(27) HD3 LYS 16 + HB2 LYS 16 OK 51 65 - 78 - 3.6=40, 2757/3.0=7...(45) HD2 LYS 16 + HB2 LYS 16 OK 51 65 - 78 - 3.6=40, 2757/3.0=7...(45) HD2 LYS 43 + HB3 LYS 43 OK 47 68 - 69 - 3.8=34, 3847/3.0=6...(27) HD2 LYS 73 - HB2 LYS 20 OK 29 100 - 29 - 3078/2.9=2, 3068/2.9=2 HD2 LYS 73 - HB3 LYS 20 OK 29 100 - 29 - 3078/2.9=2, 3068/2.9=2 HD3 LYS 73 - HB3 LYS 20 OK 29 99 - 29 - 3079/2.9=2, 3069/2.9=2 HD3 LYS 73 - HB2 LYS 20 OK 29 99 - 29 - 3079/2.9=2, 3069/2.9=2 HD3 LYS 43 - HB3 LYS 20 OK 29 99 - 29 - 3069/2.9=2, 3079/2.9=2...(5) HD3 LYS 43 - HB2 LYS 20 OK 29 99 - 29 - 3069/2.9=2, 3079/2.9=2...(5) HD2 LYS 43 - HB3 LYS 20 OK 27 94 - 29 - 3069/2.9=2, 3079/2.9=2...(5) HD2 LYS 43 - HB2 LYS 20 OK 27 94 - 29 - 3069/2.9=2, 3079/2.9=2...(5) HD2 LYS 44 - HB2 LYS 96 OK 22 55 - 40 - 6098/1.8=3, 3954/2.9=2...(14) HD3 LYS 44 - HB2 LYS 96 OK 20 50 - 40 - 3954/2.9=2, 3955/2.9=2...(14) HD2 LYS 20 - HB3 LYS 43 OK 19 78 - 24 - 3817/3.0=2, 3847/3.0=1...(5) HD3 LYS 20 - HB3 LYS 43 OK 19 78 - 24 - 3817/3.0=2, 3847/3.0=1...(5) HD2 LYS 20 - HB3 LYS 73 OK 19 86 - 22 - 5169/2.9=2, 5177/2.9=1 HD3 LYS 20 - HB3 LYS 73 OK 19 86 - 22 - 5169/2.9=2, 5177/2.9=1 HD2 LYS 20 - HB2 LYS 73 OK 18 84 - 22 - 5169/2.9=2, 5177/2.9=1 HD3 LYS 20 - HB2 LYS 73 OK 18 84 - 22 - 5169/2.9=2, 5177/2.9=1 HD3 LYS 43 - HB3 LYS 73 OK 17 84 - 21 - 5169/2.9=1, 5177/2.9=1 HD2 LYS 40 - HB3 LYS 16 OK 17 65 - 27 - 2756/3.0=2, 2766/3.0=2...(6) HD3 LYS 43 - HB2 LYS 73 OK 17 82 - 21 - 5169/2.9=1, 5177/2.9=1 HD3 LYS 40 - HB3 LYS 16 OK 17 63 - 27 - 2756/3.0=2, 2766/3.0=2...(6) HD2 LYS 40 - HB2 LYS 16 OK 16 61 - 27 - 2756/3.0=2, 2766/3.0=2...(6) HD2 LYS 43 - HB3 LYS 73 OK 16 76 - 21 - 5170/2.9=2, 5187/2.9=1 HD3 LYS 40 - HB2 LYS 16 OK 16 60 - 27 - 2756/3.0=2, 2766/3.0=2...(6) HD2 LYS 43 - HB2 LYS 73 OK 16 75 - 21 - 5170/2.9=2, 5187/2.9=1 HD2 LYS 73 - HB3 LYS 43 OK 13 77 - 17 - 3847/3.0=1 HD3 LYS 73 - HB3 LYS 43 OK 13 76 - 17 - 3847/3.0=1 HD2 LYS 40 - HB2 LYS 20 OK 13 98 - 13 - HD2 LYS 40 - HB3 LYS 20 OK 13 98 - 13 - HD3 LYS 40 - HB3 LYS 20 OK 13 97 - 13 - HD3 LYS 40 - HB2 LYS 20 OK 13 97 - 13 - HG3 ARG 95 - HB2 LYS 96 OK 13 58 - 22 - 1.8/6041=3, 6049=3...(8) HD2 LYS 73 - HB2 LYS 96 OK 11 73 - 15 - 6097/1.8=2 HD2 LYS 20 - HB2 LYS 96 OK 11 74 - 14 - 6097/1.8=1 HD3 LYS 73 - HB2 LYS 96 OK 11 72 - 15 - 6097/1.8=2 HD3 LYS 20 - HB2 LYS 96 OK 11 74 - 14 - 6097/1.8=1 HD3 LYS 96 - HB2 LYS 20 lone 10 99 - 10 - HD3 LYS 96 - HB3 LYS 20 lone 10 99 - 10 - HD2 LYS 96 - HB3 LYS 20 lone 10 97 - 10 - HD2 LYS 96 - HB2 LYS 20 lone 10 97 - 10 - HD3 LYS 43 - HB2 LYS 96 poor 9 72 - 12 - 6097/1.8=1 HD2 LYS 43 - HB2 LYS 96 poor 8 65 - 12 - 6097/1.8=1 HD2 LYS 40 - HB3 LYS 43 poor 8 74 - 11 - HD3 LYS 96 - HB3 LYS 73 lone 8 83 - 9 - HD3 LYS 40 - HB3 LYS 43 poor 8 72 - 11 - HD3 LYS 96 - HB2 LYS 73 lone 8 81 - 9 - HD2 LYS 96 - HB3 LYS 73 lone 8 80 - 9 - HD3 LYS 96 - HB3 LYS 43 lone 7 75 - 10 - HD2 LYS 96 - HB2 LYS 73 lone 7 78 - 9 - HD2 LYS 96 - HB3 LYS 43 lone 7 72 - 9 - HD2 LYS 40 - HB2 LYS 96 lone 7 70 - 9 - 6077/3.0=1 HD3 LYS 40 - HB2 LYS 96 lone 7 68 - 10 - 6077/3.0=1 HG3 LYS 39 - HB2 LYS 96 poor 6 60 - 10 - 7476/4.1=2, 3598/4.6=2 HD2 LYS 44 - HB3 LYS 43 lone 6 59 - 10 - 3950/4.7=2 HD2 LYS 17 - HB3 LYS 16 lone 6 63 - 9 - 2860/4.7=4, 4.8/7996=2 HD2 LYS 16 - HB2 LYS 20 lone 5 100 - 5 - HD2 LYS 16 - HB3 LYS 20 lone 5 100 - 5 - HD3 LYS 16 - HB3 LYS 20 lone 5 100 - 5 - HD3 LYS 16 - HB2 LYS 20 lone 5 100 - 5 - HD2 LYS 17 - HB2 LYS 16 lone 5 60 - 9 - 2860/4.7=4, 4.8/7996=2 HD3 LYS 44 - HB3 LYS 43 lone 5 53 - 10 - 3950/4.7=2 HG3 ARG 95 - HB2 LYS 20 lone 5 87 - 6 - HG3 ARG 95 - HB3 LYS 20 lone 5 87 - 6 - HD2 LYS 17 - HB2 LYS 20 lone 5 97 - 5 - 4.8/7998=2 HD2 LYS 17 - HB3 LYS 20 lone 5 97 - 5 - 4.8/7998=2 HD2 LYS 40 - HB3 LYS 73 lone 5 82 - 6 - HD3 LYS 40 - HB3 LYS 73 lone 5 80 - 6 - HD2 LYS 40 - HB2 LYS 73 lone 5 80 - 6 - HD3 LYS 40 - HB2 LYS 73 lone 5 78 - 6 - HD2 LYS 16 - HB3 LYS 73 lone 4 86 - 4 - HD2 LYS 16 - HB2 LYS 73 lone 4 84 - 5 - HG12 ILE 71 - HB3 LYS 73 lone 4 82 - 5 - 4.6/1467=1 HD2 LYS 20 - HB3 LYS 16 lone 4 69 - 6 - HD3 LYS 20 - HB3 LYS 16 lone 4 69 - 6 - HD3 LYS 16 - HB2 LYS 73 lone 4 84 - 4 - HG12 ILE 71 - HB2 LYS 73 lone 4 80 - 5 - 4.6/1467=1 HD3 LYS 16 - HB3 LYS 73 lone 4 86 - 4 - HD2 LYS 20 - HB2 LYS 16 lone 4 65 - 6 - HD3 LYS 20 - HB2 LYS 16 lone 4 65 - 6 - HG LEU 74 - HB3 LYS 73 lone 4 57 - 6 - 5234/4.3=4 HD3 LYS 39 - HB2 LYS 96 lone 4 44 - 8 - HD2 LYS 73 - HB3 LYS 16 lone 3 68 - 5 - HG LEU 74 - HB2 LYS 73 lone 3 55 - 6 - 5234/4.3=4 HD3 LYS 73 - HB3 LYS 16 lone 3 67 - 5 - HD2 LYS 73 - HB2 LYS 16 lone 3 64 - 5 - HD3 LYS 73 - HB2 LYS 16 lone 3 63 - 5 - HD2 LYS 39 - HB2 LYS 96 lone 3 41 - 8 - HG3 ARG 95 - HB3 LYS 73 lone 3 69 - 5 - HG3 ARG 95 - HB2 LYS 73 lone 3 67 - 5 - HD2 LYS 44 - HB3 LYS 73 lone 3 66 - 4 - HB ILE 56 - HB2 LYS 20 lone 2 100 - 2 - HB ILE 56 - HB3 LYS 20 lone 2 100 - 2 - HD2 LYS 44 - HB2 LYS 73 lone 2 64 - 4 - HD2 LYS 16 - HB2 LYS 96 lone 2 74 - 3 - HD3 LYS 44 - HB3 LYS 73 lone 2 60 - 4 - HD3 LYS 16 - HB2 LYS 96 lone 2 74 - 3 - HG3 LYS 123 - HB2 LYS 96 lone 2 60 - 4 - HD3 LYS 44 - HB2 LYS 73 lone 2 58 - 4 - HG3 ARG 95 - HB3 LYS 43 lone 2 61 - 4 - HG LEU 74 - HB3 LYS 16 lone 2 43 - 5 - ~11277=1, 2.1/11277=1 HG LEU 74 - HB2 LYS 16 lone 2 41 - 5 - ~11277=1, 2.1/11277=1 HG12 ILE 71 - HB2 LYS 96 lone 2 70 - 3 - HD3 LYS 39 - HB2 LYS 20 lone 2 70 - 2 - HD3 LYS 39 - HB3 LYS 20 lone 2 70 - 2 - HD2 LYS 44 - HB3 LYS 20 lone 2 84 - 2 - HD2 LYS 44 - HB2 LYS 20 lone 2 84 - 2 - HD2 LYS 39 - HB2 LYS 20 lone 2 65 - 2 - HD2 LYS 39 - HB3 LYS 20 lone 2 65 - 2 - HG3 ARG 95 - HB3 LYS 16 lone 2 54 - 3 - HD3 LYS 44 - HB3 LYS 20 lone 2 77 - 2 - HD3 LYS 44 - HB2 LYS 20 lone 2 77 - 2 - HG3 ARG 95 - HB2 LYS 16 lone 2 50 - 3 - HD3 LYS 39 - HB3 LYS 73 lone 2 53 - 3 - HD3 LYS 39 - HB2 LYS 73 lone 1 52 - 3 - HD2 LYS 39 - HB3 LYS 73 lone 1 50 - 3 - HD2 LYS 39 - HB2 LYS 73 lone 1 48 - 3 - HD3 LYS 39 - HB3 LYS 43 lone 1 47 - 3 - HG3 LYS 39 - HB3 LYS 43 lone 1 64 - 2 - HG3 LYS 39 - HB2 LYS 20 lone 1 90 - 1 - HG3 LYS 39 - HB3 LYS 20 lone 1 90 - 1 - HD2 LYS 39 - HB3 LYS 43 lone 1 44 - 3 - HG3 LYS 123 - HB3 LYS 43 lone 1 64 - 2 - HD3 LYS 43 - HB3 LYS 16 lone 1 67 - 2 - HD2 LYS 16 - HB3 LYS 43 lone 1 78 - 1 - HD3 LYS 16 - HB3 LYS 43 lone 1 78 - 1 - HD2 LYS 44 - HB3 LYS 16 lone 1 51 - 2 - HD3 LYS 43 - HB2 LYS 16 lone 1 63 - 2 - HD2 LYS 17 - HB3 LYS 43 lone 1 72 - 1 - HD3 LYS 44 - HB3 LYS 16 lone 1 46 - 2 - HB ILE 56 - HB3 LYS 16 lone 1 69 - 1 - HD2 LYS 44 - HB2 LYS 16 lone 1 48 - 2 - HD2 LYS 43 - HB3 LYS 16 lone 1 60 - 2 - HD3 LYS 96 - HB3 LYS 16 lone 1 66 - 1 - HG3 LYS 39 - HB3 LYS 73 lone 1 72 - 1 - HD3 LYS 44 - HB2 LYS 16 lone 1 43 - 2 - HD2 LYS 96 - HB3 LYS 16 lone 1 63 - 1 - HD2 LYS 43 - HB2 LYS 16 lone 1 56 - 2 - HD3 LYS 96 - HB2 LYS 16 lone 1 62 - 1 - HG3 LYS 39 - HB2 LYS 73 lone 1 70 - 1 - HD2 LYS 96 - HB2 LYS 16 lone 1 60 - 1 - HG LEU 74 - HB3 LYS 20 lone 1 73 - 1 - HG LEU 74 - HB2 LYS 20 lone 1 73 - 1 - HB ILE 56 - HB2 LYS 16 lone 1 65 - 1 - HB ILE 56 - HB2 LYS 96 lone 1 74 - 1 - HG12 ILE 71 - HB2 LYS 20 lone 1 98 - 1 - HG12 ILE 71 - HB3 LYS 20 lone 1 98 - 1 - HB ILE 54 - HB2 LYS 20 lone 1 98 - 1 - HB ILE 54 - HB3 LYS 20 lone 1 98 - 1 - HD2 LYS 17 - HB3 LYS 73 lone 1 80 - 1 - HD2 LYS 17 - HB2 LYS 73 lone 1 78 - 1 - HG3 LYS 123 - HB3 LYS 73 lone 1 72 - 1 - HD2 LYS 17 - HB2 LYS 96 lone 1 68 - 1 - HG3 LYS 123 - HB2 LYS 73 lone 1 70 - 1 - HG3 LYS 123 - HB3 LYS 16 lone 1 56 - 1 - HG3 LYS 123 - HB2 LYS 16 lone 1 52 - 1 - HG3 LYS 123 - HB3 LYS 20 lone 0 90 - 1 - HG3 LYS 123 - HB2 LYS 20 lone 0 90 - 1 - HG12 ILE 71 - HB3 LYS 16 lone 0 65 - 1 - HB ILE 56 - HB3 LYS 43 lone 0 78 - 1 - HG12 ILE 71 - HB2 LYS 16 lone 0 61 - 1 - HG3 LYS 39 - HB3 LYS 16 lone 0 56 - 1 - HB ILE 56 - HB3 LYS 73 lone 0 86 - 0 - HG3 LYS 39 - HB2 LYS 16 lone 0 52 - 1 - HB ILE 56 - HB2 LYS 73 lone 0 84 - 0 - HB ILE 54 - HB3 LYS 16 lone 0 65 - 1 - HG12 ILE 71 - HB3 LYS 43 lone 0 74 - 0 - HB ILE 54 - HB3 LYS 73 lone 0 82 - 0 - HB ILE 54 - HB2 LYS 16 lone 0 61 - 1 - HB ILE 54 - HB2 LYS 96 lone 0 70 - 0 - HB ILE 54 - HB2 LYS 73 lone 0 80 - 0 - HD3 LYS 39 - HB3 LYS 16 lone 0 41 - 1 - HD3 LYS 39 - HB2 LYS 16 lone 0 38 - 1 - HD2 LYS 39 - HB3 LYS 16 lone 0 38 - 1 - HD2 LYS 39 - HB2 LYS 16 lone 0 35 - 1 - HB ILE 54 - HB3 LYS 43 lone 0 74 - 0 - HG LEU 74 - HB2 LYS 96 lone 0 47 - 0 - HG LEU 74 - HB3 LYS 43 lone 0 50 - 0 - Peak 3059 from cnoeabs.peaks (1.69, 1.89, 31.98 ppm; 2.67 A): 16 out of 192 assignments used, quality = 1.00: HD2 LYS 20 + HB2 LYS 20 OK 80 100 - 80 - 3.4=46, 3078/2.9=6...(37) HD2 LYS 20 + HB3 LYS 20 OK 80 100 - 80 - 3.4=46, 3078/2.9=6...(37) HD3 LYS 20 + HB2 LYS 20 OK 80 100 - 80 - 3.4=46, 3078/2.9=6...(37) * HD3 LYS 20 + HB3 LYS 20 OK 80 100 - 80 - 3.4=46, 3078/2.9=6...(37) HD2 LYS 73 + HB3 LYS 73 OK 62 86 - 73 - 3.8=33, 5170/2.9=6...(35) HD3 LYS 73 + HB3 LYS 73 OK 62 85 - 73 - 3.8=33, 5170/2.9=6...(35) HD2 LYS 73 + HB2 LYS 73 OK 61 84 - 73 - 3.8=33, 5170/2.9=6...(35) HD3 LYS 73 + HB2 LYS 73 OK 60 83 - 73 - 3.8=33, 5170/2.9=6...(35) HD3 LYS 96 + HB2 LYS 96 OK 59 72 - 81 - 3.4=46, 6097/1.8=8...(37) HD2 LYS 96 + HB2 LYS 96 OK 57 70 - 82 - 3.4=46, 6097/1.8=8...(38) HD2 LYS 16 + HB3 LYS 16 OK 54 69 - 78 - 3.6=40, 2756/3.0=7...(45) HD3 LYS 16 + HB3 LYS 16 OK 54 69 - 78 - 3.6=40, 2757/3.0=7...(45) HD3 LYS 43 + HB3 LYS 43 OK 53 77 - 69 - 3.8=34, 3847/3.0=6...(27) HD2 LYS 16 + HB2 LYS 16 OK 51 65 - 78 - 3.6=40, 2756/3.0=7...(45) HD3 LYS 16 + HB2 LYS 16 OK 51 65 - 78 - 3.6=40, 2757/3.0=7...(45) HD2 LYS 43 + HB3 LYS 43 OK 49 70 - 69 - 3.8=34, 3847/3.0=6...(27) HD2 LYS 73 - HB3 LYS 20 OK 29 100 - 29 - 3078/2.9=2, 3068/2.9=2 HD2 LYS 73 - HB2 LYS 20 OK 29 100 - 29 - 3078/2.9=2, 3068/2.9=2 HD3 LYS 73 - HB2 LYS 20 OK 29 100 - 29 - 3079/2.9=2, 3069/2.9=2 HD3 LYS 73 - HB3 LYS 20 OK 29 100 - 29 - 3079/2.9=2, 3069/2.9=2 HD3 LYS 43 - HB2 LYS 20 OK 29 100 - 29 - 3069/2.9=2, 3079/2.9=2...(5) HD3 LYS 43 - HB3 LYS 20 OK 29 100 - 29 - 3069/2.9=2, 3079/2.9=2...(5) HD2 LYS 43 - HB2 LYS 20 OK 28 96 - 29 - 3069/2.9=2, 3079/2.9=2...(5) HD2 LYS 43 - HB3 LYS 20 OK 28 96 - 29 - 3069/2.9=2, 3079/2.9=2...(5) HD2 LYS 44 - HB2 LYS 96 OK 21 53 - 40 - 6098/1.8=3, 3954/2.9=2...(14) HD2 LYS 20 - HB3 LYS 43 OK 19 78 - 24 - 3817/3.0=2, 3847/3.0=1...(5) HD3 LYS 20 - HB3 LYS 43 OK 19 78 - 24 - 3817/3.0=2, 3847/3.0=1...(5) HD3 LYS 20 - HB3 LYS 73 OK 19 86 - 22 - 5170/2.9=2, 5177/2.9=1 HD2 LYS 20 - HB3 LYS 73 OK 19 86 - 22 - 5169/2.9=2, 5177/2.9=1 HD3 LYS 44 - HB2 LYS 96 OK 19 47 - 40 - 3954/2.9=2, 3955/2.9=2...(14) HD3 LYS 20 - HB2 LYS 73 OK 18 84 - 22 - 5170/2.9=2, 5177/2.9=1 HD2 LYS 20 - HB2 LYS 73 OK 18 84 - 22 - 5169/2.9=2, 5177/2.9=1 HD3 LYS 43 - HB3 LYS 73 OK 18 85 - 21 - 5170/2.9=2, 5177/2.9=1 HD2 LYS 40 - HB3 LYS 16 OK 17 66 - 27 - 2756/3.0=2, 2766/3.0=2...(6) HD3 LYS 43 - HB2 LYS 73 OK 17 83 - 21 - 5170/2.9=2, 5177/2.9=1 HD3 LYS 40 - HB3 LYS 16 OK 17 65 - 27 - 2756/3.0=2, 2766/3.0=2...(6) HD2 LYS 43 - HB3 LYS 73 OK 16 78 - 21 - 5170/2.9=2, 5187/2.9=1 HD2 LYS 40 - HB2 LYS 16 OK 16 62 - 27 - 2756/3.0=2, 2766/3.0=2...(6) HD3 LYS 40 - HB2 LYS 16 OK 16 61 - 27 - 2756/3.0=2, 2766/3.0=2...(6) HD2 LYS 43 - HB2 LYS 73 OK 16 77 - 21 - 5170/2.9=2, 5187/2.9=1 HG3 ARG 95 - HB2 LYS 96 OK 13 60 - 22 - 6049=3, 1.8/6041=3...(8) HD2 LYS 73 - HB3 LYS 43 OK 13 78 - 17 - 3847/3.0=1 HD3 LYS 73 - HB3 LYS 43 OK 13 77 - 17 - 3847/3.0=1 HD2 LYS 40 - HB2 LYS 20 OK 13 99 - 13 - HD2 LYS 40 - HB3 LYS 20 OK 13 99 - 13 - HD3 LYS 40 - HB2 LYS 20 OK 13 98 - 13 - HD3 LYS 40 - HB3 LYS 20 OK 13 98 - 13 - HD2 LYS 73 - HB2 LYS 96 OK 11 74 - 15 - 6097/1.8=2 HD3 LYS 73 - HB2 LYS 96 OK 11 73 - 15 - 6097/1.8=2 HD3 LYS 20 - HB2 LYS 96 OK 11 74 - 14 - 6097/1.8=1 HD2 LYS 20 - HB2 LYS 96 OK 11 74 - 14 - 6097/1.8=1 HD3 LYS 96 - HB3 LYS 20 lone 10 99 - 10 - HD3 LYS 96 - HB2 LYS 20 lone 10 99 - 10 - HD2 LYS 96 - HB3 LYS 20 lone 10 98 - 10 - HD2 LYS 96 - HB2 LYS 20 lone 10 98 - 10 - HD3 LYS 43 - HB2 LYS 96 poor 9 73 - 12 - 6097/1.8=1 HD2 LYS 43 - HB2 LYS 96 poor 8 67 - 12 - 6097/1.8=1 HD2 LYS 40 - HB3 LYS 43 poor 8 75 - 11 - HD3 LYS 96 - HB3 LYS 73 lone 8 84 - 9 - HD3 LYS 40 - HB3 LYS 43 poor 8 74 - 11 - HD2 LYS 96 - HB3 LYS 73 lone 8 82 - 9 - HD3 LYS 96 - HB2 LYS 73 lone 8 82 - 9 - HD2 LYS 96 - HB2 LYS 73 lone 7 80 - 9 - HD3 LYS 96 - HB3 LYS 43 lone 7 76 - 10 - HD2 LYS 96 - HB3 LYS 43 lone 7 74 - 9 - HD2 LYS 40 - HB2 LYS 96 lone 7 71 - 10 - 6077/3.0=1 HD3 LYS 40 - HB2 LYS 96 lone 7 70 - 10 - 6077/3.0=1 HD2 LYS 17 - HB3 LYS 16 lone 6 65 - 9 - 2860/4.7=4, 4.8/7996=2 HG3 LYS 39 - HB2 LYS 96 lone 6 58 - 10 - 7476/4.1=2, 3598/4.6=2 HD2 LYS 17 - HB2 LYS 16 lone 6 61 - 9 - 2860/4.7=4, 4.8/7996=2 HD2 LYS 16 - HB2 LYS 20 lone 5 100 - 5 - HD2 LYS 16 - HB3 LYS 20 lone 5 100 - 5 - HD3 LYS 16 - HB2 LYS 20 lone 5 100 - 5 - HD3 LYS 16 - HB3 LYS 20 lone 5 100 - 5 - HD2 LYS 44 - HB3 LYS 43 lone 5 56 - 10 - 3950/4.7=2 HG3 ARG 95 - HB2 LYS 20 lone 5 90 - 6 - HG3 ARG 95 - HB3 LYS 20 lone 5 90 - 6 - HD2 LYS 17 - HB3 LYS 20 lone 5 98 - 5 - 4.8/7998=2 HD2 LYS 17 - HB2 LYS 20 lone 5 98 - 5 - 4.8/7998=2 HD2 LYS 40 - HB3 LYS 73 lone 5 83 - 6 - HD3 LYS 40 - HB3 LYS 73 lone 5 82 - 6 - HD2 LYS 40 - HB2 LYS 73 lone 5 81 - 6 - HD3 LYS 44 - HB3 LYS 43 lone 5 50 - 10 - 3950/4.7=2 HD3 LYS 40 - HB2 LYS 73 lone 5 80 - 6 - HD2 LYS 16 - HB3 LYS 73 lone 4 86 - 4 - HD2 LYS 16 - HB2 LYS 73 lone 4 84 - 5 - HD3 LYS 20 - HB3 LYS 16 lone 4 69 - 6 - HD2 LYS 20 - HB3 LYS 16 lone 4 69 - 6 - HG12 ILE 71 - HB3 LYS 73 lone 4 80 - 5 - 4.6/1467=1 HD3 LYS 16 - HB2 LYS 73 lone 4 84 - 4 - HD3 LYS 16 - HB3 LYS 73 lone 4 86 - 4 - HG12 ILE 71 - HB2 LYS 73 lone 4 78 - 5 - 4.6/1467=1 HD3 LYS 20 - HB2 LYS 16 lone 4 65 - 6 - HD2 LYS 20 - HB2 LYS 16 lone 4 65 - 6 - HD2 LYS 73 - HB3 LYS 16 lone 3 69 - 5 - HD3 LYS 73 - HB3 LYS 16 lone 3 68 - 5 - HG3 ARG 95 - HB3 LYS 73 lone 3 72 - 5 - HD2 LYS 73 - HB2 LYS 16 lone 3 65 - 5 - HD3 LYS 73 - HB2 LYS 16 lone 3 64 - 5 - HG3 ARG 95 - HB2 LYS 73 lone 3 70 - 5 - HD3 LYS 39 - HB2 LYS 96 lone 3 41 - 8 - HG LEU 74 - HB3 LYS 73 lone 3 53 - 6 - 5234/4.3=3 HG LEU 74 - HB2 LYS 73 lone 3 52 - 6 - 5234/4.3=3 HD2 LYS 39 - HB2 LYS 96 lone 3 38 - 8 - HB ILE 56 - HB2 LYS 20 lone 2 100 - 2 - HB ILE 56 - HB3 LYS 20 lone 2 100 - 2 - HD2 LYS 16 - HB2 LYS 96 lone 2 74 - 3 - HD2 LYS 44 - HB3 LYS 73 lone 2 63 - 4 - HG3 ARG 95 - HB3 LYS 43 lone 2 64 - 4 - HD2 LYS 44 - HB2 LYS 73 lone 2 61 - 4 - HD3 LYS 16 - HB2 LYS 96 lone 2 74 - 3 - HD3 LYS 44 - HB3 LYS 73 lone 2 57 - 4 - HG3 LYS 123 - HB2 LYS 96 lone 2 58 - 4 - HD3 LYS 44 - HB2 LYS 73 lone 2 55 - 4 - HG LEU 74 - HB3 LYS 16 lone 2 41 - 5 - ~11277=1, 2.1/11277=1 HG LEU 74 - HB2 LYS 16 lone 2 38 - 5 - ~11277=1, 2.1/11277=1 HG12 ILE 71 - HB2 LYS 96 lone 2 68 - 3 - HG3 ARG 95 - HB3 LYS 16 lone 2 56 - 3 - HD3 LYS 39 - HB2 LYS 20 lone 2 65 - 2 - HD3 LYS 39 - HB3 LYS 20 lone 2 65 - 2 - HD2 LYS 44 - HB3 LYS 20 lone 2 81 - 2 - HD2 LYS 44 - HB2 LYS 20 lone 2 81 - 2 - HG3 ARG 95 - HB2 LYS 16 lone 2 52 - 3 - HD2 LYS 39 - HB3 LYS 20 lone 2 61 - 2 - HD2 LYS 39 - HB2 LYS 20 lone 2 61 - 2 - HD3 LYS 44 - HB2 LYS 20 lone 2 73 - 2 - HD3 LYS 44 - HB3 LYS 20 lone 2 73 - 2 - HD3 LYS 39 - HB3 LYS 73 lone 1 50 - 3 - HD3 LYS 39 - HB2 LYS 73 lone 1 48 - 3 - HD2 LYS 39 - HB3 LYS 73 lone 1 47 - 3 - HD2 LYS 39 - HB2 LYS 73 lone 1 45 - 3 - HD3 LYS 39 - HB3 LYS 43 lone 1 44 - 3 - HG3 LYS 39 - HB3 LYS 43 lone 1 61 - 2 - HG3 LYS 39 - HB3 LYS 20 lone 1 87 - 1 - HG3 LYS 39 - HB2 LYS 20 lone 1 87 - 1 - HD2 LYS 39 - HB3 LYS 43 lone 1 41 - 3 - HG3 LYS 123 - HB3 LYS 43 lone 1 61 - 2 - HD3 LYS 43 - HB3 LYS 16 lone 1 68 - 2 - HD2 LYS 16 - HB3 LYS 43 lone 1 78 - 1 - HD2 LYS 17 - HB3 LYS 43 lone 1 74 - 1 - HD3 LYS 43 - HB2 LYS 16 lone 1 64 - 2 - HD3 LYS 16 - HB3 LYS 43 lone 1 78 - 1 - HD2 LYS 43 - HB3 LYS 16 lone 1 62 - 2 - HD2 LYS 44 - HB3 LYS 16 lone 1 49 - 2 - HD3 LYS 96 - HB3 LYS 16 lone 1 67 - 1 - HB ILE 56 - HB3 LYS 16 lone 1 69 - 1 - HD2 LYS 43 - HB2 LYS 16 lone 1 58 - 2 - HD2 LYS 96 - HB3 LYS 16 lone 1 65 - 1 - HD2 LYS 44 - HB2 LYS 16 lone 1 46 - 2 - HD3 LYS 96 - HB2 LYS 16 lone 1 63 - 1 - HD3 LYS 44 - HB3 LYS 16 lone 1 43 - 2 - HD2 LYS 96 - HB2 LYS 16 lone 1 61 - 1 - HG3 LYS 39 - HB3 LYS 73 lone 1 69 - 1 - HD3 LYS 44 - HB2 LYS 16 lone 1 41 - 2 - HG3 LYS 39 - HB2 LYS 73 lone 1 67 - 1 - HB ILE 56 - HB2 LYS 16 lone 1 65 - 1 - HB ILE 56 - HB2 LYS 96 lone 1 74 - 1 - HG12 ILE 71 - HB2 LYS 20 lone 1 97 - 1 - HG12 ILE 71 - HB3 LYS 20 lone 1 97 - 1 - HG LEU 74 - HB3 LYS 20 lone 1 70 - 1 - HG LEU 74 - HB2 LYS 20 lone 1 70 - 1 - HB ILE 54 - HB3 LYS 20 lone 1 99 - 1 - HB ILE 54 - HB2 LYS 20 lone 1 99 - 1 - HD2 LYS 17 - HB3 LYS 73 lone 1 82 - 1 - HD2 LYS 17 - HB2 LYS 73 lone 1 80 - 1 - HD2 LYS 17 - HB2 LYS 96 lone 1 70 - 1 - HG3 LYS 123 - HB3 LYS 73 lone 1 69 - 1 - HG3 LYS 123 - HB2 LYS 73 lone 1 67 - 1 - HG3 LYS 123 - HB3 LYS 16 lone 1 54 - 1 - HG3 LYS 123 - HB2 LYS 16 lone 1 50 - 1 - HG3 LYS 123 - HB3 LYS 20 lone 0 87 - 1 - HG3 LYS 123 - HB2 LYS 20 lone 0 87 - 1 - HG12 ILE 71 - HB3 LYS 16 lone 0 63 - 1 - HB ILE 56 - HB3 LYS 43 lone 0 78 - 1 - HG12 ILE 71 - HB2 LYS 16 lone 0 60 - 1 - HB ILE 56 - HB3 LYS 73 lone 0 86 - 0 - HG3 LYS 39 - HB3 LYS 16 lone 0 54 - 1 - HB ILE 56 - HB2 LYS 73 lone 0 84 - 0 - HG3 LYS 39 - HB2 LYS 16 lone 0 50 - 1 - HB ILE 54 - HB3 LYS 16 lone 0 66 - 1 - HB ILE 54 - HB3 LYS 73 lone 0 83 - 0 - HG12 ILE 71 - HB3 LYS 43 lone 0 72 - 0 - HB ILE 54 - HB2 LYS 16 lone 0 62 - 1 - HB ILE 54 - HB2 LYS 96 lone 0 71 - 0 - HB ILE 54 - HB2 LYS 73 lone 0 81 - 0 - HD3 LYS 39 - HB3 LYS 16 lone 0 38 - 1 - HD3 LYS 39 - HB2 LYS 16 lone 0 35 - 1 - HD2 LYS 39 - HB3 LYS 16 lone 0 35 - 1 - HB ILE 54 - HB3 LYS 43 lone 0 75 - 0 - HD2 LYS 39 - HB2 LYS 16 lone 0 33 - 1 - HG LEU 74 - HB2 LYS 96 lone 0 44 - 0 - HG LEU 74 - HB3 LYS 43 lone 0 47 - 0 - Peak 3061 from cnoeabs.peaks (2.96, 1.89, 31.98 ppm; 3.94 A): 9 out of 128 assignments used, quality = 1.00: HE2 LYS 20 + HB3 LYS 20 OK 93 100 - 93 - 4.8=54, 3070/2.9=8...(52) HE3 LYS 20 + HB2 LYS 20 OK 93 100 - 93 - 4.8=54, 3070/2.9=8...(52) * HE3 LYS 20 + HB3 LYS 20 OK 93 100 - 93 - 4.8=54, 3070/2.9=8...(52) HE2 LYS 20 + HB2 LYS 20 OK 93 100 - 93 - 4.8=54, 3070/2.9=8...(52) HE3 LYS 73 + HB3 LYS 73 OK 60 66 - 90 - 4.9=52, 5207/2.9=7...(40) HE3 LYS 73 + HB2 LYS 73 OK 58 64 - 90 - 4.9=52, 5207/2.9=7...(39) HE3 LYS 43 + HB3 LYS 43 OK 57 64 - 90 - 4.7=60, 3849/3.0=6...(47) HE2 LYS 43 + HB3 LYS 43 OK 45 50 - 91 - 4.7=60, 3849/3.0=6...(49) HE2 LYS 73 + HB3 LYS 73 OK 45 50 - 91 - 4.9=52, 5207/2.9=7...(43) HE3 LYS 43 - HB3 LYS 20 OK 44 90 - 50 - 3070/2.9=3, 3080/2.9=3...(20) HE3 LYS 43 - HB2 LYS 20 OK 44 90 - 50 - 3070/2.9=3, 3080/2.9=3...(20) HE2 LYS 73 - HB2 LYS 73 OK 44 48 - 91 - 4.9=52, 5207/2.9=7...(43) HE3 LYS 73 - HB3 LYS 20 OK 40 84 - 48 - 3071/2.9=3, 3080/2.9=3...(18) HE3 LYS 73 - HB2 LYS 20 OK 40 84 - 48 - 3071/2.9=3, 3080/2.9=3...(18) HE2 LYS 43 - HB3 LYS 20 OK 38 73 - 52 - 3070/2.9=3, 3080/2.9=3...(22) HE2 LYS 43 - HB2 LYS 20 OK 38 73 - 52 - 3070/2.9=3, 3080/2.9=3...(22) HE2 LYS 73 - HB3 LYS 20 OK 32 65 - 50 - 3081/2.9=2, 3070/2.9=2...(19) HE2 LYS 73 - HB2 LYS 20 OK 32 65 - 50 - 3081/2.9=2, 3070/2.9=2...(19) HE3 LYS 40 - HB2 LYS 20 OK 30 100 - 30 - 3071/2.9=2, 3081/2.9=2...(6) HE3 LYS 40 - HB3 LYS 20 OK 30 100 - 30 - 3071/2.9=2, 3081/2.9=2...(6) HE3 LYS 20 - HB3 LYS 73 OK 30 86 - 35 - 3107/2.9=2, ~5172=1...(15) HE2 LYS 20 - HB3 LYS 73 OK 30 86 - 35 - 3107/2.9=2, ~5172=1...(15) HE2 LYS 40 - HB3 LYS 20 OK 30 99 - 30 - 3070/2.9=2, 3081/2.9=2...(6) HE2 LYS 40 - HB2 LYS 20 OK 30 99 - 30 - 3070/2.9=2, 3081/2.9=2...(6) HE2 LYS 20 - HB2 LYS 73 OK 30 84 - 35 - 3117/2.9=2, ~5172=1...(15) HE3 LYS 20 - HB2 LYS 73 OK 30 84 - 35 - 3117/2.9=2, ~5172=1...(15) HE3 LYS 43 - HB3 LYS 73 OK 29 72 - 41 - 5207/2.9=2, 5172/2.9=2...(15) HE3 LYS 43 - HB2 LYS 73 OK 29 70 - 41 - 5207/2.9=2, 5172/2.9=2...(15) HE3 LYS 20 - HB3 LYS 43 OK 27 78 - 35 - 3106/3.0=2, ~3816=1...(8) HE2 LYS 20 - HB3 LYS 43 OK 27 78 - 35 - 3106/3.0=2, ~3816=1...(8) HE2 LYS 40 - HB3 LYS 16 OK 24 67 - 37 - 3733/3.0=2, 3.0/2773=2...(20) HE3 LYS 40 - HB3 LYS 16 OK 24 69 - 36 - 6530/3.0=2, 3733/3.0=2...(19) HE2 LYS 43 - HB3 LYS 73 OK 23 57 - 42 - 5207/2.9=3, 5172/2.9=2...(17) HE2 LYS 40 - HB2 LYS 16 OK 23 63 - 37 - 3733/3.0=2, 3.0/2773=2...(20) HE3 LYS 40 - HB2 LYS 16 OK 23 65 - 36 - 6530/3.0=2, 3733/3.0=2...(19) HE2 LYS 43 - HB2 LYS 73 OK 23 55 - 42 - 5207/2.9=3, 5172/2.9=2...(17) HE3 LYS 73 - HB3 LYS 43 OK 19 59 - 32 - 3849/3.0=2, ~3848=2...(8) HE3 LYS 40 - HB3 LYS 43 OK 17 78 - 22 - 6.4/8066=2, 3849/3.0=1...(5) HE2 LYS 40 - HB3 LYS 43 OK 16 76 - 21 - 6.4/8066=2, 3849/3.0=1...(4) HE2 LYS 73 - HB3 LYS 43 OK 15 44 - 33 - 3849/3.0=2, ~3848=2...(7) HE3 LYS 20 - HB2 LYS 96 OK 14 74 - 19 - ~6097=1, ~6098=1 HE2 LYS 20 - HB2 LYS 96 OK 14 74 - 19 - ~6097=1, ~6098=1 HE3 LYS 40 - HB3 LYS 73 OK 11 86 - 13 - HE3 LYS 40 - HB2 LYS 73 OK 11 84 - 13 - HE2 LYS 40 - HB3 LYS 73 OK 10 84 - 12 - HE2 LYS 40 - HB2 LYS 73 OK 10 82 - 12 - HE3 LYS 73 - HB2 LYS 96 OK 10 55 - 18 - ~6097=1, ~6098=1...(4) HE2 LYS 40 - HB2 LYS 96 OK 10 72 - 14 - 6.4/8066=2 HE3 LYS 40 - HB2 LYS 96 poor 10 74 - 14 - 6.4/8066=2 HE3 LYS 43 - HB2 LYS 96 poor 10 60 - 16 - ~6097=1 HE2 LYS 73 - HB2 LYS 96 poor 8 41 - 19 - ~6097=1, ~6098=1...(4) HE2 LYS 43 - HB2 LYS 96 poor 8 47 - 16 - ~6097=1 HD3 ARG 118 - HB3 LYS 20 lone 7 97 - 7 - ~7402=1, ~7401=1, 2.9/7400=1 HD3 ARG 118 - HB2 LYS 20 lone 7 97 - 7 - ~7402=1, ~7401=1, 2.9/7400=1 HE3 LYS 20 - HB3 LYS 16 lone 6 69 - 8 - HE2 LYS 20 - HB3 LYS 16 lone 6 69 - 8 - HE2 LYS 39 - HB2 LYS 20 lone 5 77 - 7 - HE2 LYS 39 - HB3 LYS 20 lone 5 77 - 7 - HE3 LYS 20 - HB2 LYS 16 lone 5 65 - 8 - HE2 LYS 20 - HB2 LYS 16 lone 5 65 - 8 - HE2 LYS 39 - HB3 LYS 73 lone 5 60 - 8 - HE2 LYS 39 - HB2 LYS 96 poor 5 50 - 10 - HE2 LYS 39 - HB2 LYS 73 lone 5 58 - 8 - HE3 LYS 39 - HB3 LYS 20 lone 5 70 - 7 - HE3 LYS 39 - HB2 LYS 20 lone 5 70 - 7 - HE3 LYS 39 - HB3 LYS 73 lone 5 53 - 8 - HE3 LYS 39 - HB2 LYS 96 poor 5 44 - 10 - HE3 LYS 39 - HB2 LYS 73 lone 4 52 - 8 - HE2 LYS 39 - HB3 LYS 43 lone 4 53 - 7 - HE3 LYS 39 - HB3 LYS 43 lone 3 47 - 7 - HE3 LYS 73 - HB3 LYS 16 lone 3 51 - 6 - HE3 LYS 73 - HB2 LYS 16 lone 3 48 - 6 - HE3 LYS 106 - HB2 LYS 20 lone 2 90 - 2 - HE3 LYS 106 - HB3 LYS 20 lone 2 90 - 2 - HE2 LYS 106 - HB2 LYS 20 lone 2 87 - 2 - HE2 LYS 106 - HB3 LYS 20 lone 2 87 - 2 - HE2 LYS 73 - HB3 LYS 16 lone 2 38 - 6 - HE2 LYS 73 - HB2 LYS 16 lone 2 35 - 6 - HE3 LYS 43 - HB3 LYS 16 lone 1 56 - 2 - HE3 LYS 43 - HB2 LYS 16 lone 1 52 - 2 - HE3 LYS 106 - HB2 LYS 96 lone 1 60 - 2 - HE2 LYS 106 - HB2 LYS 96 lone 1 58 - 2 - HE2 LYS 43 - HB3 LYS 16 lone 1 43 - 2 - HB2 ASN 24 - HB2 LYS 20 lone 1 100 - 1 - HB3 ASN 24 - HB3 LYS 20 lone 1 100 - 1 - HB3 ASN 24 - HB2 LYS 20 lone 1 100 - 1 - HB2 ASN 24 - HB3 LYS 20 lone 1 100 - 1 - HD3 ARG 118 - HB3 LYS 73 lone 1 80 - 1 - HD3 ARG 118 - HB2 LYS 73 lone 1 78 - 1 - HE2 LYS 43 - HB2 LYS 16 lone 1 41 - 2 - HB3 ASN 24 - HB3 LYS 73 lone 1 85 - 1 - HB2 ASN 24 - HB3 LYS 73 lone 1 85 - 1 - HB3 ASN 24 - HB2 LYS 73 lone 1 83 - 1 - HB2 ASN 24 - HB2 LYS 73 lone 1 83 - 1 - HE3 LYS 106 - HB3 LYS 43 lone 1 64 - 1 - HE2 LYS 106 - HB3 LYS 43 lone 1 61 - 1 - HB3 PHE 51 - HB3 LYS 20 lone 1 100 - 1 - HB3 PHE 51 - HB2 LYS 20 lone 1 100 - 1 - HE2 LYS 39 - HB3 LYS 16 lone 1 46 - 1 - HE2 LYS 39 - HB2 LYS 16 lone 1 43 - 1 - HE3 LYS 39 - HB3 LYS 16 lone 1 41 - 1 - HD3 ARG 118 - HB3 LYS 16 lone 1 63 - 1 - HB2 ASN 24 - HB3 LYS 43 lone 1 77 - 1 - HB3 ASN 24 - HB3 LYS 43 lone 1 77 - 1 - HD3 ARG 118 - HB2 LYS 16 lone 1 60 - 1 - HE3 LYS 39 - HB2 LYS 16 lone 1 38 - 1 - HB3 PHE 51 - HB3 LYS 73 lone 1 85 - 1 - HB3 PHE 51 - HB2 LYS 73 lone 0 83 - 1 - HD3 ARG 118 - HB3 LYS 43 lone 0 72 - 1 - HE3 LYS 106 - HB3 LYS 73 lone 0 72 - 1 - HE3 LYS 106 - HB2 LYS 73 lone 0 70 - 1 - HE2 LYS 106 - HB3 LYS 73 lone 0 69 - 1 - HE2 LYS 106 - HB2 LYS 73 lone 0 67 - 1 - HD3 ARG 118 - HB2 LYS 96 lone 0 68 - 1 - HB3 PHE 51 - HB3 LYS 43 lone 0 77 - 1 - HB3 PHE 51 - HB2 LYS 96 lone 0 73 - 1 - HB3 ASN 24 - HB2 LYS 96 lone 0 73 - 1 - HB2 ASN 24 - HB2 LYS 96 lone 0 73 - 1 - HE3 LYS 106 - HB3 LYS 16 lone 0 56 - 1 - HE2 LYS 106 - HB3 LYS 16 lone 0 54 - 1 - HE3 LYS 106 - HB2 LYS 16 lone 0 52 - 1 - HB2 ASN 24 - HB3 LYS 16 lone 0 68 - 1 - HB3 ASN 24 - HB3 LYS 16 lone 0 68 - 1 - HE2 LYS 106 - HB2 LYS 16 lone 0 50 - 1 - HB3 PHE 51 - HB3 LYS 16 lone 0 68 - 0 - HB3 ASN 24 - HB2 LYS 16 lone 0 64 - 1 - HB2 ASN 24 - HB2 LYS 16 lone 0 64 - 1 - HB3 PHE 51 - HB2 LYS 16 lone 0 64 - 0 - Peak 3062 from cnoeabs.peaks (7.30, 1.51, 24.44 ppm; 4.74 A): 1 out of 2 assignments used, quality = 0.99: * H LYS 20 + HG2 LYS 20 OK 99 100 - 99 - 4.9=89, 3072/1.8=41...(24) HE21 GLN 100 - HG2 LYS 20 lone 2 70 - 3 - Peak 3063 from cnoeabs.peaks (4.09, 1.51, 24.44 ppm; 3.39 A): 2 out of 5 assignments used, quality = 0.97: * HA LYS 20 + HG2 LYS 20 OK 94 100 - 94 - 3.8=70, 3037/1.8=22...(23) HA LYS 43 + HG2 LYS 20 OK 46 100 - 46 - 3814=14, 3073/1.8=9...(14) HA ASP 110 - HG2 LYS 20 lone 8 96 - 8 - 3073/1.8=2, 3.0/10383=2 HA GLN 62 - HG2 LYS 20 lone 3 65 - 4 - 3.6/7401=2 HA GLU 91 - HG2 LYS 20 lone 1 81 - 1 - Peak 3064 from cnoeabs.peaks (1.89, 1.51, 24.44 ppm; 2.96 A): 2 out of 2 assignments used, quality = 1.00: HB3 LYS 20 + HG2 LYS 20 OK 100 100 - 100 - 2.9=100 * HB2 LYS 20 + HG2 LYS 20 OK 100 100 - 100 - 2.9=100 Peak 3065 from cnoeabs.peaks (1.89, 1.51, 24.44 ppm; 2.96 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 20 + HG2 LYS 20 OK 100 100 - 100 - 2.9=100 HB2 LYS 20 + HG2 LYS 20 OK 100 100 - 100 - 2.9=100 Peak 3066 from cnoeabs.peaks (1.51, 1.51, 24.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 20 + HG2 LYS 20 OK 100 100 - 100 Peak 3067 from cnoeabs.peaks (1.48, 1.51, 24.44 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 20 + HG2 LYS 20 OK 100 100 - 100 - 1.8=100 Peak 3068 from cnoeabs.peaks (1.69, 1.51, 24.44 ppm; 2.51 A): 2 out of 24 assignments used, quality = 0.97: * HD2 LYS 20 + HG2 LYS 20 OK 82 100 - 82 - 3.0=62, 3078/1.8=8...(17) HD3 LYS 20 + HG2 LYS 20 OK 82 100 - 82 - 3.0=62, 3078/1.8=8...(17) HD3 LYS 43 - HG2 LYS 20 OK 26 99 - 27 - 3079/1.8=2, 3086=2...(8) HD2 LYS 43 - HG2 LYS 20 OK 25 94 - 27 - 3079/1.8=2, 3096=2...(8) HD2 LYS 73 - HG2 LYS 20 OK 23 100 - 24 - 3078/1.8=2, 3086=2...(6) HD3 LYS 73 - HG2 LYS 20 OK 23 99 - 24 - 3079/1.8=2, 3086=2...(6) HD2 LYS 40 - HG2 LYS 20 OK 10 98 - 10 - HD3 LYS 40 - HG2 LYS 20 OK 10 97 - 10 - HD3 LYS 96 - HG2 LYS 20 lone 8 99 - 8 - HD2 LYS 96 - HG2 LYS 20 lone 8 97 - 8 - HD2 LYS 17 - HG2 LYS 20 lone 4 97 - 4 - 4.8/11542=2 HD2 LYS 16 - HG2 LYS 20 lone 3 100 - 3 - HD3 LYS 16 - HG2 LYS 20 lone 3 100 - 3 - HG3 ARG 95 - HG2 LYS 20 lone 2 87 - 2 - HD3 LYS 39 - HG2 LYS 20 lone 1 70 - 2 - HB ILE 56 - HG2 LYS 20 lone 1 100 - 1 - HD2 LYS 39 - HG2 LYS 20 lone 1 65 - 2 - HD2 LYS 44 - HG2 LYS 20 lone 1 84 - 1 - HD3 LYS 44 - HG2 LYS 20 lone 1 77 - 1 - HG3 LYS 39 - HG2 LYS 20 lone 1 90 - 1 - HB ILE 54 - HG2 LYS 20 lone 1 98 - 1 - HG12 ILE 71 - HG2 LYS 20 lone 1 98 - 1 - HG3 LYS 123 - HG2 LYS 20 lone 0 90 - 1 - HG LEU 74 - HG2 LYS 20 lone 0 73 - 0 - Peak 3069 from cnoeabs.peaks (1.69, 1.51, 24.44 ppm; 2.51 A): 2 out of 24 assignments used, quality = 0.97: HD2 LYS 20 + HG2 LYS 20 OK 82 100 - 82 - 3.0=62, 3078/1.8=8...(17) * HD3 LYS 20 + HG2 LYS 20 OK 82 100 - 82 - 3.0=62, 3078/1.8=8...(17) HD3 LYS 43 - HG2 LYS 20 OK 26 100 - 27 - 3079/1.8=2, 3086=2...(8) HD2 LYS 43 - HG2 LYS 20 OK 25 96 - 27 - 3079/1.8=2, 3864=2...(8) HD2 LYS 73 - HG2 LYS 20 OK 24 100 - 24 - 3078/1.8=2, 3086=2...(6) HD3 LYS 73 - HG2 LYS 20 OK 23 100 - 24 - 3079/1.8=2, 3086=2...(6) HD2 LYS 40 - HG2 LYS 20 OK 10 99 - 10 - HD3 LYS 40 - HG2 LYS 20 OK 10 98 - 10 - HD3 LYS 96 - HG2 LYS 20 lone 8 99 - 8 - HD2 LYS 96 - HG2 LYS 20 lone 8 98 - 8 - HD2 LYS 17 - HG2 LYS 20 lone 4 98 - 4 - 4.8/11542=2 HD2 LYS 16 - HG2 LYS 20 lone 3 100 - 3 - HD3 LYS 16 - HG2 LYS 20 lone 3 100 - 3 - HG3 ARG 95 - HG2 LYS 20 lone 2 90 - 2 - HB ILE 56 - HG2 LYS 20 lone 1 100 - 1 - HD3 LYS 39 - HG2 LYS 20 lone 1 65 - 2 - HD2 LYS 44 - HG2 LYS 20 lone 1 81 - 1 - HD2 LYS 39 - HG2 LYS 20 lone 1 61 - 2 - HD3 LYS 44 - HG2 LYS 20 lone 1 73 - 1 - HG3 LYS 39 - HG2 LYS 20 lone 1 87 - 1 - HB ILE 54 - HG2 LYS 20 lone 1 99 - 1 - HG12 ILE 71 - HG2 LYS 20 lone 1 97 - 1 - HG3 LYS 123 - HG2 LYS 20 lone 0 87 - 1 - HG LEU 74 - HG2 LYS 20 lone 0 70 - 0 - Peak 3070 from cnoeabs.peaks (2.96, 1.51, 24.44 ppm; 3.48 A): 2 out of 16 assignments used, quality = 0.99: HE3 LYS 20 + HG2 LYS 20 OK 93 100 - 93 - 3.9=71, 3.0/3068=9...(30) * HE2 LYS 20 + HG2 LYS 20 OK 93 100 - 93 - 3.9=71, 3.0/3068=9...(30) HE3 LYS 43 - HG2 LYS 20 OK 38 90 - 42 - 3081/1.8=3, 3116=3...(17) HE2 LYS 43 - HG2 LYS 20 OK 31 73 - 43 - 3.0/3069=3, 3080/1.8=3...(17) HE3 LYS 73 - HG2 LYS 20 OK 31 84 - 37 - 3081/1.8=3, 2.9/3068=3...(12) HE2 LYS 73 - HG2 LYS 20 OK 25 65 - 38 - 2.9/3068=3, 2.9/3069=3...(11) HE3 LYS 40 - HG2 LYS 20 OK 23 100 - 23 - 3080/1.8=2, 3106=2...(7) HE2 LYS 40 - HG2 LYS 20 OK 23 99 - 23 - 3081/1.8=2, 3116=2...(7) HD3 ARG 118 - HG2 LYS 20 lone 5 97 - 5 - 2.9/7401=2, ~7402=1 HE2 LYS 39 - HG2 LYS 20 lone 4 77 - 5 - HE3 LYS 39 - HG2 LYS 20 lone 4 70 - 5 - HE3 LYS 106 - HG2 LYS 20 lone 1 90 - 1 - HE2 LYS 106 - HG2 LYS 20 lone 1 87 - 1 - HB3 ASN 24 - HG2 LYS 20 lone 1 100 - 1 - HB2 ASN 24 - HG2 LYS 20 lone 1 100 - 1 - HB3 PHE 51 - HG2 LYS 20 lone 0 100 - 0 - Peak 3071 from cnoeabs.peaks (2.96, 1.51, 24.44 ppm; 3.48 A): 2 out of 16 assignments used, quality = 0.99: * HE3 LYS 20 + HG2 LYS 20 OK 93 100 - 93 - 3.9=71, 3.0/3068=9...(30) HE2 LYS 20 + HG2 LYS 20 OK 93 100 - 93 - 3.9=71, 3.0/3068=9...(30) HE3 LYS 43 - HG2 LYS 20 OK 38 90 - 42 - 3081/1.8=3, 3116=3...(17) HE2 LYS 43 - HG2 LYS 20 OK 31 73 - 43 - 3.0/3069=3, 3080/1.8=3...(17) HE3 LYS 73 - HG2 LYS 20 OK 31 84 - 37 - 3081/1.8=3, 2.9/3068=3...(12) HE2 LYS 73 - HG2 LYS 20 OK 25 65 - 38 - 2.9/3068=3, 2.9/3069=3...(11) HE3 LYS 40 - HG2 LYS 20 OK 23 100 - 23 - 3080/1.8=2, 3106=2...(7) HE2 LYS 40 - HG2 LYS 20 OK 23 99 - 23 - 3081/1.8=2, 3116=2...(7) HD3 ARG 118 - HG2 LYS 20 lone 5 97 - 5 - 2.9/7401=2, ~7402=1 HE2 LYS 39 - HG2 LYS 20 lone 4 77 - 5 - HE3 LYS 39 - HG2 LYS 20 lone 4 70 - 5 - HE3 LYS 106 - HG2 LYS 20 lone 1 90 - 1 - HE2 LYS 106 - HG2 LYS 20 lone 1 87 - 1 - HB3 ASN 24 - HG2 LYS 20 lone 1 100 - 1 - HB2 ASN 24 - HG2 LYS 20 lone 1 100 - 1 - HB3 PHE 51 - HG2 LYS 20 lone 0 100 - 0 - Peak 3072 from cnoeabs.peaks (7.30, 1.48, 24.44 ppm; 4.52 A): 1 out of 2 assignments used, quality = 0.98: * H LYS 20 + HG3 LYS 20 OK 98 100 - 98 - 4.9=77, 3062/1.8=36...(24) HE21 GLN 100 - HG3 LYS 20 lone 2 70 - 3 - Peak 3073 from cnoeabs.peaks (4.09, 1.48, 24.44 ppm; 3.55 A): 1 out of 5 assignments used, quality = 0.96: * HA LYS 20 + HG3 LYS 20 OK 96 100 - 96 - 3.8=81, 3063/1.8=24...(19) HA LYS 43 - HG3 LYS 20 OK 39 100 - 39 - 3814/1.8=12, ~1276=4...(14) HA ASP 110 - HG3 LYS 20 lone 8 96 - 9 - 3063/1.8=2, ~10383=1, ~10375=1 HA GLN 62 - HG3 LYS 20 lone 3 65 - 5 - 3.6/7402=2 HA GLU 91 - HG3 LYS 20 lone 1 81 - 1 - Peak 3074 from cnoeabs.peaks (1.89, 1.48, 24.44 ppm; 2.92 A): 2 out of 2 assignments used, quality = 1.00: HB3 LYS 20 + HG3 LYS 20 OK 100 100 - 100 - 2.9=100 * HB2 LYS 20 + HG3 LYS 20 OK 100 100 - 100 - 2.9=100 Peak 3075 from cnoeabs.peaks (1.89, 1.48, 24.44 ppm; 2.92 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 20 + HG3 LYS 20 OK 100 100 - 100 - 2.9=100 HB2 LYS 20 + HG3 LYS 20 OK 100 100 - 100 - 2.9=100 Peak 3076 from cnoeabs.peaks (1.51, 1.48, 24.44 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 20 + HG3 LYS 20 OK 100 100 - 100 - 1.8=100 Peak 3077 from cnoeabs.peaks (1.48, 1.48, 24.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 20 + HG3 LYS 20 OK 100 100 - 100 Peak 3078 from cnoeabs.peaks (1.69, 1.48, 24.44 ppm; 2.50 A): 2 out of 24 assignments used, quality = 0.96: * HD2 LYS 20 + HG3 LYS 20 OK 81 100 - 81 - 3.0=61, 3068/1.8=8...(19) HD3 LYS 20 + HG3 LYS 20 OK 81 100 - 81 - 3.0=61, 3068/1.8=8...(19) HD2 LYS 73 - HG3 LYS 20 OK 24 100 - 25 - 3068/1.8=2, 5178=2...(7) HD3 LYS 73 - HG3 LYS 20 OK 24 99 - 25 - 3069/1.8=2, 5178=2...(7) HD3 LYS 43 - HG3 LYS 20 OK 24 99 - 24 - 3069/1.8=2, 5178=2...(8) HD2 LYS 43 - HG3 LYS 20 OK 23 94 - 25 - 3069/1.8=2, 5188=2...(8) HD2 LYS 40 - HG3 LYS 20 lone 10 98 - 10 - HD3 LYS 40 - HG3 LYS 20 lone 10 97 - 10 - HD3 LYS 96 - HG3 LYS 20 lone 8 99 - 8 - HD2 LYS 96 - HG3 LYS 20 lone 8 97 - 8 - HD2 LYS 17 - HG3 LYS 20 lone 4 97 - 4 - 4.8/11543=2 HD2 LYS 16 - HG3 LYS 20 lone 3 100 - 3 - HD3 LYS 16 - HG3 LYS 20 lone 3 100 - 3 - HG3 ARG 95 - HG3 LYS 20 lone 2 87 - 2 - HB ILE 56 - HG3 LYS 20 lone 1 100 - 1 - HD3 LYS 39 - HG3 LYS 20 lone 1 70 - 2 - HD2 LYS 39 - HG3 LYS 20 lone 1 65 - 2 - HD2 LYS 44 - HG3 LYS 20 lone 1 84 - 1 - HG3 LYS 39 - HG3 LYS 20 lone 1 90 - 1 - HD3 LYS 44 - HG3 LYS 20 lone 1 77 - 1 - HB ILE 54 - HG3 LYS 20 lone 1 98 - 1 - HG12 ILE 71 - HG3 LYS 20 lone 1 98 - 1 - HG LEU 74 - HG3 LYS 20 lone 1 73 - 1 - HG3 LYS 123 - HG3 LYS 20 lone 0 90 - 0 - Peak 3079 from cnoeabs.peaks (1.69, 1.48, 24.44 ppm; 2.50 A): 2 out of 24 assignments used, quality = 0.96: HD2 LYS 20 + HG3 LYS 20 OK 81 100 - 81 - 3.0=61, 3068/1.8=8...(19) * HD3 LYS 20 + HG3 LYS 20 OK 81 100 - 81 - 3.0=61, 3068/1.8=8...(19) HD2 LYS 73 - HG3 LYS 20 OK 24 100 - 25 - 3068/1.8=2, 5178=2...(7) HD3 LYS 73 - HG3 LYS 20 OK 24 100 - 25 - 3069/1.8=2, 5178=2...(7) HD3 LYS 43 - HG3 LYS 20 OK 24 100 - 24 - 3069/1.8=2, 5178=2...(8) HD2 LYS 43 - HG3 LYS 20 OK 23 96 - 25 - 3069/1.8=2, 5188=2...(8) HD2 LYS 40 - HG3 LYS 20 lone 10 99 - 10 - HD3 LYS 40 - HG3 LYS 20 lone 10 98 - 10 - HD3 LYS 96 - HG3 LYS 20 lone 8 99 - 8 - HD2 LYS 96 - HG3 LYS 20 lone 8 98 - 8 - HD2 LYS 17 - HG3 LYS 20 lone 4 98 - 4 - 4.8/11543=2 HD2 LYS 16 - HG3 LYS 20 lone 3 100 - 3 - HD3 LYS 16 - HG3 LYS 20 lone 3 100 - 3 - HG3 ARG 95 - HG3 LYS 20 lone 2 90 - 2 - HB ILE 56 - HG3 LYS 20 lone 1 100 - 1 - HD3 LYS 39 - HG3 LYS 20 lone 1 65 - 2 - HD2 LYS 39 - HG3 LYS 20 lone 1 61 - 2 - HD2 LYS 44 - HG3 LYS 20 lone 1 81 - 1 - HG3 LYS 39 - HG3 LYS 20 lone 1 87 - 1 - HD3 LYS 44 - HG3 LYS 20 lone 1 73 - 1 - HB ILE 54 - HG3 LYS 20 lone 1 99 - 1 - HG12 ILE 71 - HG3 LYS 20 lone 1 97 - 1 - HG LEU 74 - HG3 LYS 20 lone 1 70 - 1 - HG3 LYS 123 - HG3 LYS 20 lone 0 87 - 0 - Peak 3080 from cnoeabs.peaks (2.96, 1.48, 24.44 ppm; 3.59 A): 2 out of 16 assignments used, quality = 1.00: HE3 LYS 20 + HG3 LYS 20 OK 95 100 - 95 - 3.9=79, 3.0/3078=10...(29) * HE2 LYS 20 + HG3 LYS 20 OK 95 100 - 95 - 3.9=79, 3.0/3078=10...(29) HE3 LYS 43 - HG3 LYS 20 OK 37 90 - 42 - 3071/1.8=4, 1.8/5198=3...(13) HE3 LYS 73 - HG3 LYS 20 OK 32 84 - 39 - 3070/1.8=3, 1.8/5198=3...(13) HE2 LYS 43 - HG3 LYS 20 OK 31 73 - 43 - 3071/1.8=3, 1.8/5198=3...(14) HE2 LYS 73 - HG3 LYS 20 OK 26 65 - 41 - 2.9/3078=3, 2.9/3079=3...(15) HE3 LYS 40 - HG3 LYS 20 OK 24 100 - 24 - 3071/1.8=2, 3117=2...(9) HE2 LYS 40 - HG3 LYS 20 OK 23 99 - 23 - 3071/1.8=2, 3107=2...(9) HD3 ARG 118 - HG3 LYS 20 lone 6 97 - 6 - 2.9/7402=2, ~7401=1 HE2 LYS 39 - HG3 LYS 20 lone 4 77 - 5 - HE3 LYS 39 - HG3 LYS 20 lone 4 70 - 5 - HE3 LYS 106 - HG3 LYS 20 lone 1 90 - 1 - HE2 LYS 106 - HG3 LYS 20 lone 1 87 - 1 - HB3 ASN 24 - HG3 LYS 20 lone 1 100 - 1 - HB2 ASN 24 - HG3 LYS 20 lone 1 100 - 1 - HB3 PHE 51 - HG3 LYS 20 lone 1 100 - 1 - Peak 3081 from cnoeabs.peaks (2.96, 1.48, 24.44 ppm; 3.59 A): 2 out of 16 assignments used, quality = 1.00: * HE3 LYS 20 + HG3 LYS 20 OK 95 100 - 95 - 3.9=79, 3.0/3078=10...(29) HE2 LYS 20 + HG3 LYS 20 OK 95 100 - 95 - 3.9=79, 3.0/3078=10...(29) HE3 LYS 43 - HG3 LYS 20 OK 37 90 - 42 - 3071/1.8=4, 1.8/5198=3...(13) HE3 LYS 73 - HG3 LYS 20 OK 32 84 - 39 - 3070/1.8=3, 1.8/5198=3...(13) HE2 LYS 43 - HG3 LYS 20 OK 31 73 - 43 - 3071/1.8=3, 1.8/5198=3...(14) HE2 LYS 73 - HG3 LYS 20 OK 26 65 - 41 - 2.9/3078=3, 2.9/3079=3...(15) HE3 LYS 40 - HG3 LYS 20 OK 24 100 - 24 - 3071/1.8=2, 3117=2...(9) HE2 LYS 40 - HG3 LYS 20 OK 23 99 - 23 - 3071/1.8=2, 3107=2...(9) HD3 ARG 118 - HG3 LYS 20 lone 6 97 - 6 - 2.9/7402=2, ~7401=1 HE2 LYS 39 - HG3 LYS 20 lone 4 77 - 5 - HE3 LYS 39 - HG3 LYS 20 lone 4 70 - 5 - HE3 LYS 106 - HG3 LYS 20 lone 1 90 - 1 - HE2 LYS 106 - HG3 LYS 20 lone 1 87 - 1 - HB3 ASN 24 - HG3 LYS 20 lone 1 100 - 1 - HB2 ASN 24 - HG3 LYS 20 lone 1 100 - 1 - HB3 PHE 51 - HG3 LYS 20 lone 1 100 - 1 - Peak 3082 from cnoeabs.peaks (7.30, 1.69, 28.78 ppm; 5.56 A): 6 out of 18 assignments used, quality = 1.00: * H LYS 20 + HD2 LYS 20 OK 99 100 - 99 - 6.2=71, 3072/3.0=42...(27) H LYS 20 + HD3 LYS 20 OK 99 100 - 99 - 6.2=71, 3072/3.0=42...(27) H LYS 20 + HD3 LYS 43 OK 51 99 - 52 - ~3841=8, 1143/2.9=8...(19) H LYS 20 + HD2 LYS 73 OK 48 99 - 49 - 1144/3.0=8, 114/3.0=6...(18) H LYS 20 + HD3 LYS 73 OK 48 99 - 49 - 1144/3.0=8, 114/3.0=6...(18) H LYS 20 + HD2 LYS 43 OK 45 87 - 52 - ~3841=8, 1143/2.9=8...(19) H LYS 20 - HD3 LYS 96 OK 12 92 - 13 - 4.9/3069=1, 4.9/3079=1 H LYS 20 - HD2 LYS 96 OK 11 87 - 13 - 4.9/3069=1, 4.9/3079=1 HE21 GLN 100 - HD2 LYS 20 lone 3 70 - 4 - HE21 GLN 100 - HD3 LYS 20 lone 3 69 - 4 - H LYS 20 - HG12 ILE 71 lone 2 92 - 2 - HE21 GLN 100 - HD3 LYS 96 lone 1 59 - 2 - HE21 GLN 100 - HD2 LYS 73 lone 1 68 - 2 - HE21 GLN 100 - HD3 LYS 73 lone 1 66 - 2 - HE21 GLN 100 - HD2 LYS 96 lone 1 54 - 2 - HE21 GLN 100 - HD3 LYS 43 lone 1 66 - 2 - HE21 GLN 100 - HG12 ILE 71 lone 1 58 - 1 - HE21 GLN 100 - HD2 LYS 43 lone 1 54 - 2 - Peak 3083 from cnoeabs.peaks (4.09, 1.69, 28.78 ppm; 3.33 A): 4 out of 45 assignments used, quality = 1.00: * HA LYS 20 + HD2 LYS 20 OK 80 100 - 80 - 5.3=25, 3063/3.0=16...(24) HA LYS 20 + HD3 LYS 20 OK 80 100 - 80 - 5.3=25, 3063/3.0=16...(24) HA LYS 43 + HD3 LYS 43 OK 76 99 - 77 - 4.8=33, 3814/2.9=16...(17) HA LYS 43 + HD2 LYS 43 OK 67 87 - 78 - 4.8=33, 3814/2.9=16...(16) HA LYS 43 - HD2 LYS 20 OK 40 100 - 41 - 3814/3.0=8, 3073/3.0=6...(13) HA LYS 43 - HD3 LYS 20 OK 40 100 - 40 - 3814/3.0=8, 3073/3.0=6...(13) HA LYS 20 - HD3 LYS 43 OK 33 99 - 34 - 3841/2.9=6, 3039=4...(10) HA LYS 20 - HD2 LYS 73 OK 32 99 - 32 - 3037/3.0=5, 3038=4...(10) HA LYS 20 - HD3 LYS 73 OK 31 99 - 32 - 3037/3.0=5, 3039=4...(10) HA LYS 20 - HD2 LYS 43 OK 29 87 - 34 - 3841/2.9=6, 3039=4...(11) HA LYS 43 - HD2 LYS 73 OK 20 99 - 20 - 3817=2, 3816/1.8=2...(4) HA LYS 43 - HD3 LYS 73 OK 19 99 - 20 - 3816=2, 3816/1.8=2...(4) HA LYS 43 - HD3 LYS 96 OK 12 92 - 13 - 3817=2, 3.6/1288=1, 3816/1.8=1 HA LYS 43 - HD2 LYS 96 OK 10 87 - 12 - 3816=1, 3816/1.8=1 HA ASP 110 - HD3 LYS 43 poor 9 93 - 10 - 3841/2.9=2, ~10382=1...(6) HA ASP 110 - HD2 LYS 20 lone 9 96 - 9 - 3073/3.0=1, 3063/3.0=1, ~10382=1 HA ASP 110 - HD3 LYS 20 lone 9 95 - 9 - 3073/3.0=1, 3063/3.0=1, ~10382=1 HA ASP 110 - HD2 LYS 43 poor 8 79 - 10 - 3841/2.9=2, 3.0/10382=1...(6) HA LYS 20 - HD3 LYS 96 lone 7 92 - 8 - 3039=1 HA LYS 20 - HD2 LYS 96 lone 7 87 - 8 - 3039=1 HA GLU 91 - HD3 LYS 96 lone 2 69 - 3 - HA GLU 91 - HD2 LYS 96 lone 2 64 - 3 - HA GLN 62 - HD2 LYS 20 lone 1 65 - 2 - HA GLN 62 - HD3 LYS 20 lone 1 65 - 2 - HA ASP 110 - HD2 LYS 73 lone 1 94 - 1 - HA ASP 110 - HD3 LYS 73 lone 1 93 - 1 - HA ASP 110 - HD3 LYS 96 lone 1 85 - 1 - HA GLU 91 - HD3 LYS 20 lone 1 80 - 1 - HA GLU 91 - HD2 LYS 20 lone 1 81 - 1 - HA ASP 110 - HD2 LYS 96 lone 1 80 - 1 - HA GLU 91 - HD3 LYS 43 lone 1 77 - 1 - HA LYS 20 - HG12 ILE 71 lone 1 92 - 1 - HA LYS 43 - HG12 ILE 71 lone 1 92 - 1 - HA GLU 91 - HD2 LYS 43 lone 1 64 - 1 - HA GLN 62 - HD3 LYS 43 lone 0 62 - 1 - HA GLU 91 - HD2 LYS 73 lone 0 79 - 1 - HA ASP 110 - HG12 ILE 71 lone 0 84 - 0 - HA GLU 91 - HD3 LYS 73 lone 0 77 - 1 - HA GLN 62 - HG12 ILE 71 lone 0 55 - 1 - HA GLN 62 - HD2 LYS 43 lone 0 50 - 1 - HA GLU 91 - HG12 ILE 71 lone 0 69 - 0 - HA GLN 62 - HD3 LYS 96 lone 0 55 - 1 - HA GLN 62 - HD2 LYS 96 lone 0 51 - 1 - HA GLN 62 - HD2 LYS 73 lone 0 64 - 0 - HA GLN 62 - HD3 LYS 73 lone 0 62 - 0 - Peak 3084 from cnoeabs.peaks (1.89, 1.69, 28.78 ppm; 2.70 A): 14 out of 189 assignments used, quality = 1.00: * HB2 LYS 20 + HD2 LYS 20 OK 81 100 - 81 - 3.4=48, 2.9/3078=6...(38) HB3 LYS 20 + HD2 LYS 20 OK 81 100 - 81 - 3.4=48, 2.9/3078=6...(38) HB2 LYS 20 + HD3 LYS 20 OK 81 100 - 81 - 3.4=48, 2.9/3078=6...(38) HB3 LYS 20 + HD3 LYS 20 OK 81 100 - 81 - 3.4=48, 2.9/3078=6...(38) HB3 LYS 73 + HD2 LYS 73 OK 73 98 - 74 - 3.8=34, 2.9/5170=6...(35) HB2 LYS 73 + HD2 LYS 73 OK 73 98 - 74 - 3.8=34, 2.9/5170=6...(35) HB3 LYS 73 + HD3 LYS 73 OK 72 97 - 74 - 3.8=34, 2.9/5170=6...(35) HB2 LYS 73 + HD3 LYS 73 OK 72 97 - 74 - 3.8=34, 2.9/5170=6...(35) HB ILE 71 + HG12 ILE 71 OK 69 88 - 79 - 3.0=71, ~5089=9, ~5107=7...(6) HB2 LYS 96 + HD3 LYS 96 OK 64 78 - 83 - 3.4=48, 1.8/6097=8...(36) HB3 LYS 43 + HD3 LYS 43 OK 60 86 - 70 - 3.8=35, 3.0/3847=6...(28) HB2 LYS 96 + HD2 LYS 96 OK 60 73 - 83 - 3.4=48, 1.8/6097=8...(37) HB3 LYS 43 + HD2 LYS 43 OK 51 72 - 71 - 3.8=35, 3.0/3847=6...(29) HB2 LYS 43 + HD3 LYS 43 OK 47 66 - 71 - 3.8=35, 3.0/3847=6...(28) HB2 LYS 43 - HD2 LYS 43 OK 39 54 - 71 - 3.8=35, 3.0/3847=6...(29) HB3 LYS 20 - HD2 LYS 73 OK 30 99 - 30 - 2.9/3078=2, 2.9/3068=2 HB2 LYS 20 - HD2 LYS 73 OK 30 99 - 30 - 2.9/3078=2, 2.9/3068=2 HB3 LYS 20 - HD3 LYS 73 OK 30 99 - 30 - 2.9/3079=2, 2.9/3069=2 HB2 LYS 20 - HD3 LYS 73 OK 30 99 - 30 - 2.9/3079=2, 2.9/3069=2 HB3 LYS 20 - HD3 LYS 43 OK 30 99 - 30 - 2.9/3069=2, 2.9/3079=2...(5) HB2 LYS 20 - HD3 LYS 43 OK 30 99 - 30 - 2.9/3069=2, 2.9/3079=2...(5) HB2 LYS 20 - HD2 LYS 43 OK 26 87 - 30 - 2.9/3069=2, 2.9/3079=2...(5) HB3 LYS 20 - HD2 LYS 43 OK 26 87 - 30 - 2.9/3069=2, 2.9/3079=2...(5) HB3 LYS 44 - HD3 LYS 96 OK 23 62 - 37 - 2.9/6107=2, 2.9/6117=1...(5) HB3 LYS 43 - HD2 LYS 20 OK 22 90 - 25 - 3.0/3817=2, 3.0/3847=1...(5) HB3 LYS 43 - HD3 LYS 20 OK 22 89 - 25 - 3.0/3817=2, 3.0/3847=1...(5) HB2 LYS 73 - HD2 LYS 20 OK 22 99 - 23 - 2.9/5169=2, 2.9/5177=1 HB2 LYS 73 - HD3 LYS 20 OK 22 99 - 23 - 2.9/5170=2, 2.9/5177=1 HB3 LYS 73 - HD2 LYS 20 OK 22 99 - 23 - 2.9/5169=2, 2.9/5177=1 HB3 LYS 73 - HD3 LYS 20 OK 22 99 - 23 - 2.9/5170=2, 2.9/5177=1 HB3 LYS 44 - HD2 LYS 96 OK 22 58 - 38 - 2.9/6107=2, 2.9/6117=1...(5) HB2 LYS 73 - HD3 LYS 43 OK 21 97 - 22 - 2.9/5170=2, 2.9/5177=1 HB3 LYS 73 - HD3 LYS 43 OK 21 97 - 21 - 2.9/5170=2, 2.9/5177=1 QE MET 67 - HG12 ILE 71 OK 19 80 - 24 - 9726/2.1=8, ~9782=4...(7) HB3 LYS 73 - HD2 LYS 43 OK 18 85 - 22 - 2.9/5170=2, 2.9/5187=1 HB2 LYS 73 - HD2 LYS 43 OK 18 84 - 22 - 2.9/5170=2, 2.9/5187=1 HB2 LYS 43 - HD2 LYS 20 OK 18 70 - 26 - 3.0/3817=2, 3.0/3847=1...(5) HB2 LYS 43 - HD3 LYS 20 OK 18 69 - 26 - 3.0/3817=2, 3.0/3847=1...(5) HB3 LYS 43 - HD2 LYS 73 OK 15 88 - 18 - 3.0/3847=1 HB3 LYS 43 - HD3 LYS 73 OK 15 86 - 18 - 3.0/3847=1 HB2 LYS 96 - HD2 LYS 73 OK 13 88 - 15 - 1.8/6097=2 HB2 LYS 96 - HD2 LYS 20 OK 13 90 - 15 - 1.8/6097=1 HB2 LYS 96 - HD3 LYS 20 OK 13 89 - 15 - 1.8/6097=2 HB2 LYS 96 - HD3 LYS 73 OK 13 86 - 15 - 1.8/6097=2 HB2 LYS 43 - HD2 LYS 73 OK 12 68 - 18 - 3.0/3847=1 HB2 LYS 43 - HD3 LYS 73 OK 12 66 - 18 - 3.0/3847=1 HB2 ARG 95 - HD3 LYS 96 OK 12 87 - 14 - 7789/5.7=3, 3.0/6020=2...(5) HB2 ARG 95 - HD2 LYS 96 OK 11 81 - 13 - 7789/5.7=3, 3.0/6020=2...(4) HB2 LYS 96 - HD3 LYS 43 OK 11 86 - 12 - 1.8/6097=1 HB3 LYS 20 - HD3 LYS 96 poor 10 92 - 11 - HB2 LYS 20 - HD3 LYS 96 poor 10 92 - 11 - HB2 LYS 20 - HD2 LYS 96 poor 9 87 - 11 - HB3 LYS 20 - HD2 LYS 96 poor 9 87 - 11 - HB2 LYS 96 - HD2 LYS 43 poor 9 72 - 13 - 1.8/6097=1 HG2 ARG 95 - HD3 LYS 96 poor 9 69 - 13 - 607/5.7=2, 11427/5.3=1...(4) HB2 LYS 73 - HD3 LYS 96 lone 9 89 - 10 - HB3 LYS 73 - HD3 LYS 96 lone 9 90 - 10 - HB3 LYS 73 - HD2 LYS 96 lone 8 85 - 10 - HB2 LYS 73 - HD2 LYS 96 lone 8 84 - 10 - HG2 ARG 95 - HD2 LYS 96 poor 8 64 - 13 - 607/5.7=2, 11427/5.3=1...(4) HB3 LYS 43 - HD3 LYS 96 poor 8 78 - 10 - HB3 LYS 43 - HD2 LYS 96 lone 7 73 - 10 - HB2 LYS 43 - HD3 LYS 96 poor 6 59 - 10 - HB ILE 71 - HD2 LYS 73 lone 6 97 - 6 - ~9773=1 HB3 LYS 16 - HD2 LYS 20 lone 6 94 - 6 - HB ILE 71 - HD3 LYS 73 lone 6 96 - 6 - ~9773=1 HB3 LYS 16 - HD3 LYS 20 lone 6 94 - 6 - HB2 LYS 16 - HD2 LYS 20 lone 6 92 - 6 - HB2 LYS 16 - HD3 LYS 20 lone 6 92 - 6 - HB3 LYS 44 - HD3 LYS 43 lone 6 70 - 8 - HB3 LYS 44 - HD2 LYS 73 lone 5 71 - 7 - HB3 LYS 44 - HD3 LYS 73 lone 5 70 - 7 - HB2 LYS 43 - HD2 LYS 96 lone 5 54 - 10 - HB2 LYS 16 - HD2 LYS 73 lone 5 90 - 6 - HB3 LYS 16 - HD2 LYS 73 lone 5 92 - 6 - HB2 LYS 16 - HD3 LYS 73 lone 5 89 - 6 - HB3 LYS 16 - HD3 LYS 73 lone 5 91 - 6 - HB3 LYS 44 - HD2 LYS 43 lone 5 57 - 8 - HB3 LYS 73 - HG12 ILE 71 lone 4 90 - 5 - 1467/4.6=1 HB2 LYS 73 - HG12 ILE 71 lone 4 89 - 5 - 1467/4.6=1 HB2 ARG 95 - HD3 LYS 20 lone 4 97 - 4 - HB2 ARG 95 - HD2 LYS 20 lone 4 97 - 4 - HB2 LEU 45 - HD2 LYS 73 lone 4 79 - 5 - HG LEU 45 - HD2 LYS 73 lone 4 94 - 4 - HB2 LEU 45 - HD3 LYS 73 lone 4 77 - 5 - HG LEU 45 - HD2 LYS 20 lone 4 96 - 4 - HG LEU 45 - HD3 LYS 73 lone 4 93 - 4 - HG LEU 45 - HD3 LYS 20 lone 4 95 - 4 - HB2 LEU 45 - HD2 LYS 20 lone 3 81 - 4 - HB2 LEU 45 - HD3 LYS 20 lone 3 80 - 4 - HG LEU 45 - HD3 LYS 96 lone 3 85 - 4 - HB2 ARG 95 - HD2 LYS 73 lone 3 96 - 3 - HB2 ARG 95 - HD3 LYS 73 lone 3 94 - 3 - HG LEU 45 - HD2 LYS 96 lone 3 80 - 4 - HB2 ARG 95 - HD3 LYS 43 lone 3 94 - 3 - HB2 LEU 45 - HD3 LYS 96 lone 3 69 - 4 - HG LEU 45 - HD3 LYS 43 lone 3 93 - 3 - HB3 LYS 44 - HD2 LYS 20 lone 2 73 - 3 - HB3 LYS 44 - HD3 LYS 20 lone 2 73 - 3 - HG2 ARG 95 - HD3 LYS 20 lone 2 80 - 3 - HG2 ARG 95 - HD2 LYS 20 lone 2 81 - 3 - HB2 ARG 95 - HD2 LYS 43 lone 2 81 - 3 - HB2 LEU 45 - HD2 LYS 96 lone 2 64 - 3 - HB2 LYS 96 - HG12 ILE 71 lone 2 78 - 3 - HB2 LEU 45 - HD3 LYS 43 lone 2 77 - 3 - HB ILE 71 - HD3 LYS 96 lone 2 88 - 2 - HG LEU 45 - HD2 LYS 43 lone 2 79 - 2 - HB ILE 71 - HD2 LYS 96 lone 2 83 - 2 - HB3 LYS 16 - HD3 LYS 43 lone 2 91 - 2 - HB2 LYS 16 - HD3 LYS 43 lone 2 89 - 2 - HG2 ARG 95 - HD3 LYS 43 lone 1 77 - 2 - HB ILE 71 - HD2 LYS 20 lone 1 98 - 1 - HB ILE 71 - HD3 LYS 20 lone 1 98 - 1 - HG2 ARG 95 - HD2 LYS 73 lone 1 79 - 2 - HG2 ARG 95 - HD3 LYS 73 lone 1 77 - 2 - HB3 LYS 16 - HD2 LYS 43 lone 1 77 - 2 - HB2 LYS 16 - HD2 LYS 43 lone 1 75 - 2 - HB3 LYS 16 - HD3 LYS 96 lone 1 83 - 2 - HB2 LYS 16 - HD3 LYS 96 lone 1 80 - 2 - HG LEU 45 - HG12 ILE 71 lone 1 84 - 2 - HB2 LEU 45 - HD2 LYS 43 lone 1 64 - 2 - HB3 LYS 16 - HD2 LYS 96 lone 1 78 - 2 - HB2 LYS 16 - HD2 LYS 96 lone 1 75 - 2 - HG2 ARG 95 - HD2 LYS 43 lone 1 64 - 2 - HB2 LEU 45 - HG12 ILE 71 lone 1 69 - 2 - HB2 GLU 128 - HD3 LYS 96 lone 1 78 - 1 - HB2 GLU 128 - HD2 LYS 96 lone 1 73 - 1 - HB3 LYS 20 - HG12 ILE 71 lone 1 92 - 1 - HB2 LYS 20 - HG12 ILE 71 lone 1 92 - 1 - HB3 LYS 44 - HG12 ILE 71 lone 1 62 - 1 - HB2 LYS 49 - HG12 ILE 71 lone 1 82 - 1 - HB3 LYS 16 - HG12 ILE 71 lone 1 82 - 1 - HB2 LYS 16 - HG12 ILE 71 lone 1 80 - 1 - HB ILE 7 - HD3 LYS 20 lone 1 100 - 1 - HB ILE 7 - HD2 LYS 20 lone 1 100 - 1 - HB ILE 71 - HD3 LYS 43 lone 1 96 - 1 - HB ILE 7 - HD3 LYS 43 lone 1 98 - 1 - HB2 ARG 95 - HG12 ILE 71 lone 1 86 - 1 - HB ILE 7 - HD2 LYS 43 lone 0 86 - 1 - HB ILE 71 - HD2 LYS 43 lone 0 83 - 1 - HB3 ARG 118 - HD2 LYS 20 lone 0 61 - 1 - HB3 ARG 118 - HD3 LYS 20 lone 0 61 - 1 - HB ILE 7 - HD2 LYS 73 lone 0 99 - 0 - HB ILE 7 - HD3 LYS 73 lone 0 98 - 0 - HB ILE 7 - HD3 LYS 96 lone 0 92 - 0 - HB ILE 7 - HG12 ILE 71 lone 0 91 - 0 - QE MET 67 - HD2 LYS 20 lone 0 92 - 0 - QE MET 67 - HD3 LYS 20 lone 0 92 - 0 - HB ILE 7 - HD2 LYS 96 lone 0 87 - 0 - QE MET 67 - HD3 LYS 96 lone 0 80 - 0 - HB3 LYS 43 - HG12 ILE 71 lone 0 78 - 0 - HB2 LYS 49 - HD2 LYS 20 lone 0 94 - 0 - HB2 LYS 49 - HD3 LYS 20 lone 0 94 - 0 - QE MET 67 - HD2 LYS 96 lone 0 75 - 0 - QE MET 67 - HD2 LYS 73 lone 0 90 - 0 - QE MET 67 - HD3 LYS 73 lone 0 89 - 0 - HB2 LYS 49 - HD3 LYS 96 lone 0 83 - 0 - HB2 LYS 49 - HD2 LYS 96 lone 0 78 - 0 - HB2 GLU 128 - HG12 ILE 71 lone 0 78 - 0 - HB2 GLU 128 - HD2 LYS 20 lone 0 90 - 0 - HB2 GLU 128 - HD2 LYS 73 lone 0 88 - 0 - HB2 GLU 128 - HD3 LYS 20 lone 0 89 - 0 - HB2 GLU 128 - HD3 LYS 73 lone 0 86 - 0 - HB2 LEU 63 - HD3 LYS 96 lone 0 51 - 1 - HB2 LYS 49 - HD2 LYS 73 lone 0 92 - 0 - HB2 LYS 49 - HD3 LYS 73 lone 0 91 - 0 - QE MET 67 - HD3 LYS 43 lone 0 89 - 0 - HB2 LYS 43 - HG12 ILE 71 lone 0 58 - 0 - HG2 ARG 95 - HG12 ILE 71 lone 0 69 - 0 - HB2 GLU 128 - HD3 LYS 43 lone 0 86 - 0 - HB2 LYS 49 - HD3 LYS 43 lone 0 91 - 0 - HB2 LEU 63 - HD2 LYS 96 lone 0 47 - 1 - HB2 LEU 63 - HG12 ILE 71 lone 0 51 - 1 - HB2 LEU 63 - HD2 LYS 20 lone 0 61 - 0 - HB2 LEU 63 - HD3 LYS 20 lone 0 61 - 0 - HB3 ARG 118 - HD2 LYS 73 lone 0 60 - 0 - HB3 ARG 118 - HD3 LYS 73 lone 0 58 - 0 - HB2 LYS 49 - HD2 LYS 43 lone 0 77 - 0 - HB2 GLU 128 - HD2 LYS 43 lone 0 72 - 0 - QE MET 67 - HD2 LYS 43 lone 0 75 - 0 - HB2 LEU 63 - HD2 LYS 73 lone 0 60 - 0 - HB2 LEU 63 - HD3 LYS 73 lone 0 58 - 0 - HB2 LEU 63 - HD3 LYS 43 lone 0 58 - 0 - HB3 ARG 118 - HD3 LYS 43 lone 0 58 - 0 - HB3 ARG 118 - HG12 ILE 71 lone 0 51 - 0 - HB3 ARG 118 - HD3 LYS 96 lone 0 51 - 0 - HB2 LEU 63 - HD2 LYS 43 lone 0 47 - 0 - HB3 ARG 118 - HD2 LYS 96 lone 0 47 - 0 - HB3 ARG 118 - HD2 LYS 43 lone 0 47 - 0 - Peak 3085 from cnoeabs.peaks (1.89, 1.69, 28.78 ppm; 2.70 A): 14 out of 189 assignments used, quality = 1.00: HB2 LYS 20 + HD2 LYS 20 OK 81 100 - 81 - 3.4=48, 2.9/3078=6...(38) * HB3 LYS 20 + HD2 LYS 20 OK 81 100 - 81 - 3.4=48, 2.9/3078=6...(38) HB2 LYS 20 + HD3 LYS 20 OK 81 100 - 81 - 3.4=48, 2.9/3078=6...(38) HB3 LYS 20 + HD3 LYS 20 OK 81 100 - 81 - 3.4=48, 2.9/3078=6...(38) HB3 LYS 73 + HD2 LYS 73 OK 73 98 - 74 - 3.8=34, 2.9/5170=6...(35) HB2 LYS 73 + HD2 LYS 73 OK 73 98 - 74 - 3.8=34, 2.9/5170=6...(35) HB3 LYS 73 + HD3 LYS 73 OK 72 97 - 74 - 3.8=34, 2.9/5170=6...(35) HB2 LYS 73 + HD3 LYS 73 OK 72 97 - 74 - 3.8=34, 2.9/5170=6...(35) HB ILE 71 + HG12 ILE 71 OK 69 88 - 79 - 3.0=71, ~5089=9, ~5107=7...(6) HB2 LYS 96 + HD3 LYS 96 OK 64 78 - 83 - 3.4=48, 1.8/6097=8...(36) HB3 LYS 43 + HD3 LYS 43 OK 60 86 - 70 - 3.8=35, 3.0/3847=6...(28) HB2 LYS 96 + HD2 LYS 96 OK 60 73 - 83 - 3.4=48, 1.8/6097=8...(37) HB3 LYS 43 + HD2 LYS 43 OK 51 72 - 71 - 3.8=35, 3.0/3847=6...(29) HB2 LYS 43 + HD3 LYS 43 OK 47 66 - 71 - 3.8=35, 3.0/3847=6...(28) HB2 LYS 43 - HD2 LYS 43 OK 39 54 - 71 - 3.8=35, 3.0/3847=6...(29) HB3 LYS 20 - HD2 LYS 73 OK 30 99 - 30 - 2.9/3078=2, 2.9/3068=2 HB2 LYS 20 - HD2 LYS 73 OK 30 99 - 30 - 2.9/3078=2, 2.9/3068=2 HB3 LYS 20 - HD3 LYS 73 OK 30 99 - 30 - 2.9/3079=2, 2.9/3069=2 HB2 LYS 20 - HD3 LYS 73 OK 30 99 - 30 - 2.9/3079=2, 2.9/3069=2 HB3 LYS 20 - HD3 LYS 43 OK 30 99 - 30 - 2.9/3069=2, 2.9/3079=2...(5) HB2 LYS 20 - HD3 LYS 43 OK 30 99 - 30 - 2.9/3069=2, 2.9/3079=2...(5) HB2 LYS 20 - HD2 LYS 43 OK 26 87 - 30 - 2.9/3069=2, 2.9/3079=2...(5) HB3 LYS 20 - HD2 LYS 43 OK 26 87 - 30 - 2.9/3069=2, 2.9/3079=2...(5) HB3 LYS 44 - HD3 LYS 96 OK 23 62 - 37 - 2.9/6107=2, 2.9/6117=1...(5) HB3 LYS 43 - HD2 LYS 20 OK 22 90 - 25 - 3.0/3817=2, 3.0/3847=1...(5) HB3 LYS 43 - HD3 LYS 20 OK 22 89 - 25 - 3.0/3817=2, 3.0/3847=1...(5) HB2 LYS 73 - HD2 LYS 20 OK 22 99 - 23 - 2.9/5169=2, 2.9/5177=1 HB2 LYS 73 - HD3 LYS 20 OK 22 99 - 23 - 2.9/5170=2, 2.9/5177=1 HB3 LYS 73 - HD2 LYS 20 OK 22 99 - 23 - 2.9/5169=2, 2.9/5177=1 HB3 LYS 73 - HD3 LYS 20 OK 22 99 - 23 - 2.9/5170=2, 2.9/5177=1 HB3 LYS 44 - HD2 LYS 96 OK 22 58 - 38 - 2.9/6107=2, 2.9/6117=1...(5) HB2 LYS 73 - HD3 LYS 43 OK 21 97 - 22 - 2.9/5170=2, 2.9/5177=1 HB3 LYS 73 - HD3 LYS 43 OK 21 97 - 21 - 2.9/5170=2, 2.9/5177=1 QE MET 67 - HG12 ILE 71 OK 19 80 - 24 - 9726/2.1=8, ~9782=4...(7) HB3 LYS 73 - HD2 LYS 43 OK 18 85 - 22 - 2.9/5170=2, 2.9/5187=1 HB2 LYS 73 - HD2 LYS 43 OK 18 84 - 22 - 2.9/5170=2, 2.9/5187=1 HB2 LYS 43 - HD2 LYS 20 OK 18 70 - 26 - 3.0/3817=2, 3.0/3847=1...(5) HB2 LYS 43 - HD3 LYS 20 OK 18 69 - 26 - 3.0/3817=2, 3.0/3847=1...(5) HB3 LYS 43 - HD2 LYS 73 OK 15 88 - 18 - 3.0/3847=1 HB3 LYS 43 - HD3 LYS 73 OK 15 86 - 18 - 3.0/3847=1 HB2 LYS 96 - HD2 LYS 73 OK 13 88 - 15 - 1.8/6097=2 HB2 LYS 96 - HD2 LYS 20 OK 13 90 - 15 - 1.8/6097=1 HB2 LYS 96 - HD3 LYS 20 OK 13 89 - 15 - 1.8/6097=2 HB2 LYS 96 - HD3 LYS 73 OK 13 86 - 15 - 1.8/6097=2 HB2 LYS 43 - HD2 LYS 73 OK 12 68 - 18 - 3.0/3847=1 HB2 LYS 43 - HD3 LYS 73 OK 12 66 - 18 - 3.0/3847=1 HB2 ARG 95 - HD3 LYS 96 OK 12 87 - 14 - 7789/5.7=3, 3.0/6020=2...(5) HB2 ARG 95 - HD2 LYS 96 OK 11 81 - 13 - 7789/5.7=3, 3.0/6020=2...(4) HB2 LYS 96 - HD3 LYS 43 OK 11 86 - 12 - 1.8/6097=1 HB3 LYS 20 - HD3 LYS 96 poor 10 92 - 11 - HB2 LYS 20 - HD3 LYS 96 poor 10 92 - 11 - HB2 LYS 20 - HD2 LYS 96 poor 9 87 - 11 - HB3 LYS 20 - HD2 LYS 96 poor 9 87 - 11 - HB2 LYS 96 - HD2 LYS 43 poor 9 72 - 13 - 1.8/6097=1 HG2 ARG 95 - HD3 LYS 96 poor 9 69 - 13 - 607/5.7=2, 11427/5.3=1...(4) HB2 LYS 73 - HD3 LYS 96 lone 9 89 - 10 - HB3 LYS 73 - HD3 LYS 96 lone 9 90 - 10 - HB3 LYS 73 - HD2 LYS 96 lone 8 85 - 10 - HB2 LYS 73 - HD2 LYS 96 lone 8 84 - 10 - HG2 ARG 95 - HD2 LYS 96 poor 8 64 - 13 - 607/5.7=2, 11427/5.3=1...(4) HB3 LYS 43 - HD3 LYS 96 poor 8 78 - 10 - HB3 LYS 43 - HD2 LYS 96 lone 7 73 - 10 - HB2 LYS 43 - HD3 LYS 96 poor 6 59 - 10 - HB ILE 71 - HD2 LYS 73 lone 6 97 - 6 - ~9773=1 HB3 LYS 16 - HD2 LYS 20 lone 6 94 - 6 - HB ILE 71 - HD3 LYS 73 lone 6 96 - 6 - ~9773=1 HB3 LYS 16 - HD3 LYS 20 lone 6 94 - 6 - HB2 LYS 16 - HD2 LYS 20 lone 6 92 - 6 - HB2 LYS 16 - HD3 LYS 20 lone 6 92 - 6 - HB3 LYS 44 - HD3 LYS 43 lone 6 70 - 8 - HB3 LYS 44 - HD2 LYS 73 lone 5 71 - 7 - HB3 LYS 44 - HD3 LYS 73 lone 5 70 - 7 - HB2 LYS 43 - HD2 LYS 96 lone 5 54 - 10 - HB2 LYS 16 - HD2 LYS 73 lone 5 90 - 6 - HB3 LYS 16 - HD2 LYS 73 lone 5 92 - 6 - HB2 LYS 16 - HD3 LYS 73 lone 5 89 - 6 - HB3 LYS 16 - HD3 LYS 73 lone 5 91 - 6 - HB3 LYS 44 - HD2 LYS 43 lone 5 57 - 8 - HB3 LYS 73 - HG12 ILE 71 lone 4 90 - 5 - 1467/4.6=1 HB2 LYS 73 - HG12 ILE 71 lone 4 89 - 5 - 1467/4.6=1 HB2 ARG 95 - HD3 LYS 20 lone 4 97 - 4 - HB2 ARG 95 - HD2 LYS 20 lone 4 97 - 4 - HB2 LEU 45 - HD2 LYS 73 lone 4 79 - 5 - HG LEU 45 - HD2 LYS 73 lone 4 94 - 4 - HB2 LEU 45 - HD3 LYS 73 lone 4 77 - 5 - HG LEU 45 - HD2 LYS 20 lone 4 96 - 4 - HG LEU 45 - HD3 LYS 73 lone 4 93 - 4 - HG LEU 45 - HD3 LYS 20 lone 4 95 - 4 - HB2 LEU 45 - HD2 LYS 20 lone 3 81 - 4 - HB2 LEU 45 - HD3 LYS 20 lone 3 80 - 4 - HG LEU 45 - HD3 LYS 96 lone 3 85 - 4 - HB2 ARG 95 - HD2 LYS 73 lone 3 96 - 3 - HB2 ARG 95 - HD3 LYS 73 lone 3 94 - 3 - HG LEU 45 - HD2 LYS 96 lone 3 80 - 4 - HB2 ARG 95 - HD3 LYS 43 lone 3 94 - 3 - HB2 LEU 45 - HD3 LYS 96 lone 3 69 - 4 - HG LEU 45 - HD3 LYS 43 lone 3 93 - 3 - HB3 LYS 44 - HD2 LYS 20 lone 2 73 - 3 - HB3 LYS 44 - HD3 LYS 20 lone 2 73 - 3 - HG2 ARG 95 - HD3 LYS 20 lone 2 80 - 3 - HG2 ARG 95 - HD2 LYS 20 lone 2 81 - 3 - HB2 ARG 95 - HD2 LYS 43 lone 2 81 - 3 - HB2 LEU 45 - HD2 LYS 96 lone 2 64 - 3 - HB2 LYS 96 - HG12 ILE 71 lone 2 78 - 3 - HB2 LEU 45 - HD3 LYS 43 lone 2 77 - 3 - HB ILE 71 - HD3 LYS 96 lone 2 88 - 2 - HG LEU 45 - HD2 LYS 43 lone 2 79 - 2 - HB ILE 71 - HD2 LYS 96 lone 2 83 - 2 - HB3 LYS 16 - HD3 LYS 43 lone 2 91 - 2 - HB2 LYS 16 - HD3 LYS 43 lone 2 89 - 2 - HG2 ARG 95 - HD3 LYS 43 lone 1 77 - 2 - HB ILE 71 - HD2 LYS 20 lone 1 98 - 1 - HB ILE 71 - HD3 LYS 20 lone 1 98 - 1 - HG2 ARG 95 - HD2 LYS 73 lone 1 79 - 2 - HG2 ARG 95 - HD3 LYS 73 lone 1 77 - 2 - HB3 LYS 16 - HD2 LYS 43 lone 1 77 - 2 - HB2 LYS 16 - HD2 LYS 43 lone 1 75 - 2 - HB3 LYS 16 - HD3 LYS 96 lone 1 83 - 2 - HB2 LYS 16 - HD3 LYS 96 lone 1 80 - 2 - HG LEU 45 - HG12 ILE 71 lone 1 84 - 2 - HB2 LEU 45 - HD2 LYS 43 lone 1 64 - 2 - HB3 LYS 16 - HD2 LYS 96 lone 1 78 - 2 - HB2 LYS 16 - HD2 LYS 96 lone 1 75 - 2 - HG2 ARG 95 - HD2 LYS 43 lone 1 64 - 2 - HB2 LEU 45 - HG12 ILE 71 lone 1 69 - 2 - HB2 GLU 128 - HD3 LYS 96 lone 1 78 - 1 - HB2 GLU 128 - HD2 LYS 96 lone 1 73 - 1 - HB3 LYS 20 - HG12 ILE 71 lone 1 92 - 1 - HB2 LYS 20 - HG12 ILE 71 lone 1 92 - 1 - HB3 LYS 44 - HG12 ILE 71 lone 1 62 - 1 - HB2 LYS 49 - HG12 ILE 71 lone 1 82 - 1 - HB3 LYS 16 - HG12 ILE 71 lone 1 82 - 1 - HB2 LYS 16 - HG12 ILE 71 lone 1 80 - 1 - HB ILE 7 - HD3 LYS 20 lone 1 100 - 1 - HB ILE 7 - HD2 LYS 20 lone 1 100 - 1 - HB ILE 71 - HD3 LYS 43 lone 1 96 - 1 - HB ILE 7 - HD3 LYS 43 lone 1 98 - 1 - HB2 ARG 95 - HG12 ILE 71 lone 1 86 - 1 - HB ILE 7 - HD2 LYS 43 lone 0 86 - 1 - HB ILE 71 - HD2 LYS 43 lone 0 83 - 1 - HB3 ARG 118 - HD2 LYS 20 lone 0 61 - 1 - HB3 ARG 118 - HD3 LYS 20 lone 0 61 - 1 - HB ILE 7 - HD2 LYS 73 lone 0 99 - 0 - HB ILE 7 - HD3 LYS 73 lone 0 98 - 0 - HB ILE 7 - HD3 LYS 96 lone 0 92 - 0 - HB ILE 7 - HG12 ILE 71 lone 0 91 - 0 - QE MET 67 - HD2 LYS 20 lone 0 92 - 0 - QE MET 67 - HD3 LYS 20 lone 0 92 - 0 - HB ILE 7 - HD2 LYS 96 lone 0 87 - 0 - QE MET 67 - HD3 LYS 96 lone 0 80 - 0 - HB3 LYS 43 - HG12 ILE 71 lone 0 78 - 0 - HB2 LYS 49 - HD2 LYS 20 lone 0 94 - 0 - HB2 LYS 49 - HD3 LYS 20 lone 0 94 - 0 - QE MET 67 - HD2 LYS 96 lone 0 75 - 0 - QE MET 67 - HD2 LYS 73 lone 0 90 - 0 - QE MET 67 - HD3 LYS 73 lone 0 89 - 0 - HB2 LYS 49 - HD3 LYS 96 lone 0 83 - 0 - HB2 LYS 49 - HD2 LYS 96 lone 0 78 - 0 - HB2 GLU 128 - HG12 ILE 71 lone 0 78 - 0 - HB2 GLU 128 - HD2 LYS 20 lone 0 90 - 0 - HB2 GLU 128 - HD2 LYS 73 lone 0 88 - 0 - HB2 GLU 128 - HD3 LYS 20 lone 0 89 - 0 - HB2 GLU 128 - HD3 LYS 73 lone 0 86 - 0 - HB2 LEU 63 - HD3 LYS 96 lone 0 51 - 1 - HB2 LYS 49 - HD2 LYS 73 lone 0 92 - 0 - HB2 LYS 49 - HD3 LYS 73 lone 0 91 - 0 - QE MET 67 - HD3 LYS 43 lone 0 89 - 0 - HB2 LYS 43 - HG12 ILE 71 lone 0 58 - 0 - HG2 ARG 95 - HG12 ILE 71 lone 0 69 - 0 - HB2 GLU 128 - HD3 LYS 43 lone 0 86 - 0 - HB2 LYS 49 - HD3 LYS 43 lone 0 91 - 0 - HB2 LEU 63 - HD2 LYS 96 lone 0 47 - 1 - HB2 LEU 63 - HG12 ILE 71 lone 0 51 - 1 - HB2 LEU 63 - HD2 LYS 20 lone 0 61 - 0 - HB2 LEU 63 - HD3 LYS 20 lone 0 61 - 0 - HB3 ARG 118 - HD2 LYS 73 lone 0 60 - 0 - HB3 ARG 118 - HD3 LYS 73 lone 0 58 - 0 - HB2 LYS 49 - HD2 LYS 43 lone 0 77 - 0 - HB2 GLU 128 - HD2 LYS 43 lone 0 72 - 0 - QE MET 67 - HD2 LYS 43 lone 0 75 - 0 - HB2 LEU 63 - HD2 LYS 73 lone 0 60 - 0 - HB2 LEU 63 - HD3 LYS 73 lone 0 58 - 0 - HB2 LEU 63 - HD3 LYS 43 lone 0 58 - 0 - HB3 ARG 118 - HD3 LYS 43 lone 0 58 - 0 - HB3 ARG 118 - HG12 ILE 71 lone 0 51 - 0 - HB3 ARG 118 - HD3 LYS 96 lone 0 51 - 0 - HB2 LEU 63 - HD2 LYS 43 lone 0 47 - 0 - HB3 ARG 118 - HD2 LYS 96 lone 0 47 - 0 - HB3 ARG 118 - HD2 LYS 43 lone 0 47 - 0 - Peak 3086 from cnoeabs.peaks (1.51, 1.69, 28.78 ppm; 2.40 A): 4 out of 99 assignments used, quality = 0.99: * HG2 LYS 20 + HD2 LYS 20 OK 75 100 - 75 - 3.0=54, 1.8/3078=7...(13) HG2 LYS 20 + HD3 LYS 20 OK 75 100 - 75 - 3.0=54, 1.8/3078=7...(13) HG2 LYS 43 + HD3 LYS 43 OK 71 94 - 75 - 2.9=56, 3846/1.8=8...(16) HG2 LYS 43 + HD2 LYS 43 OK 61 81 - 75 - 2.9=56, 3846/1.8=7...(16) HG2 LYS 20 - HD3 LYS 43 OK 23 99 - 24 - 3069=4, 3069/1.8=2...(6) HG2 LYS 20 - HD2 LYS 73 OK 21 99 - 21 - 3068=3, 1.8/3078=2...(5) HG2 LYS 20 - HD3 LYS 73 OK 21 99 - 21 - 3069=3, 1.8/3079=2...(5) HG2 LYS 20 - HD2 LYS 43 OK 21 87 - 24 - 3069=3, 3069/1.8=2...(8) HG2 LYS 43 - HD2 LYS 20 OK 16 97 - 17 - 3847=2, 3847/1.8=2, 3841/5.3=1 HG2 LYS 43 - HD3 LYS 20 OK 16 97 - 17 - 3847=2, 3847/1.8=2, 3841/5.3=1 HG2 LYS 43 - HD2 LYS 73 OK 14 96 - 15 - 3847=2, 3846/1.8=2 HG2 LYS 43 - HD3 LYS 73 OK 14 94 - 15 - 3847=2, 3846/1.8=2 HG2 LYS 20 - HD3 LYS 96 lone 7 92 - 7 - 3069=1 HG2 LYS 20 - HD2 LYS 96 lone 7 87 - 7 - 3069=1 HG2 LYS 43 - HD3 LYS 96 lone 6 87 - 7 - HG2 LYS 43 - HD2 LYS 96 lone 6 81 - 7 - 3847=1 QB ALA 124 - HG12 ILE 71 lone 4 91 - 5 - HG2 ARG 30 - HG12 ILE 71 lone 4 82 - 5 - 10927/2.1=1 HB3 ARG 30 - HG12 ILE 71 lone 3 84 - 3 - HD3 LYS 17 - HD3 LYS 20 lone 2 89 - 3 - HD3 LYS 17 - HD2 LYS 20 lone 2 90 - 3 - HB3 LEU 14 - HD2 LYS 20 lone 2 96 - 2 - HB3 LEU 14 - HD3 LYS 20 lone 2 95 - 2 - HD3 LYS 17 - HG12 ILE 71 lone 2 78 - 2 - QB ALA 124 - HD2 LYS 73 lone 1 99 - 1 - QB ALA 124 - HD3 LYS 73 lone 1 98 - 1 - QB ALA 124 - HD2 LYS 20 lone 1 100 - 1 - QB ALA 124 - HD3 LYS 20 lone 1 100 - 1 - QB ALA 124 - HD3 LYS 43 lone 1 98 - 1 - HB2 LEU 6 - HD3 LYS 20 lone 1 100 - 1 - HB2 LEU 6 - HD2 LYS 20 lone 1 100 - 1 - QB ALA 124 - HD2 LYS 43 lone 1 86 - 1 - HB2 LEU 6 - HD3 LYS 43 lone 1 98 - 1 - HB2 LEU 6 - HD2 LYS 43 lone 1 86 - 1 - HD3 LYS 17 - HD3 LYS 43 lone 1 86 - 1 - HB3 LEU 14 - HD3 LYS 43 lone 1 93 - 1 - HB2 LEU 6 - HD2 LYS 73 lone 1 99 - 1 - HB2 LEU 6 - HD3 LYS 73 lone 1 98 - 1 - HB3 LEU 14 - HD2 LYS 43 lone 1 79 - 1 - HD3 LYS 17 - HD2 LYS 43 lone 1 72 - 1 - QB ALA 124 - HD3 LYS 96 lone 1 92 - 1 - QB ALA 124 - HD2 LYS 96 lone 1 87 - 1 - HB2 LEU 6 - HD3 LYS 96 lone 0 92 - 1 - HG LEU 6 - HD3 LYS 20 lone 0 80 - 1 - HB2 LEU 6 - HD2 LYS 96 lone 0 87 - 1 - HG LEU 6 - HD2 LYS 20 lone 0 81 - 1 - HD3 LYS 17 - HD3 LYS 96 lone 0 78 - 1 - HB2 LEU 6 - HG12 ILE 71 lone 0 91 - 1 - HG LEU 38 - HD3 LYS 43 lone 0 74 - 1 - HG2 LYS 20 - HG12 ILE 71 lone 0 92 - 0 - HD3 LYS 17 - HD2 LYS 96 lone 0 73 - 1 - HG LEU 6 - HD3 LYS 43 lone 0 77 - 1 - HD3 LYS 17 - HD2 LYS 73 lone 0 88 - 0 - HD3 LYS 17 - HD3 LYS 73 lone 0 86 - 0 - HG LEU 38 - HD2 LYS 20 lone 0 77 - 0 - HG LEU 38 - HD3 LYS 20 lone 0 77 - 0 - HG LEU 38 - HD2 LYS 43 lone 0 61 - 1 - HG LEU 6 - HD2 LYS 43 lone 0 64 - 1 - HG LEU 38 - HD3 LYS 96 lone 0 66 - 0 - HG LEU 6 - HD2 LYS 73 lone 0 79 - 0 - HG LEU 38 - HD2 LYS 96 lone 0 61 - 0 - HG LEU 6 - HD3 LYS 73 lone 0 77 - 0 - HB3 LEU 14 - HD2 LYS 73 lone 0 94 - 0 - HB3 LEU 14 - HG12 ILE 71 lone 0 84 - 0 - HG LEU 6 - HD3 LYS 96 lone 0 69 - 0 - HB3 LEU 14 - HD3 LYS 73 lone 0 93 - 0 - HB3 ARG 30 - HD2 LYS 20 lone 0 96 - 0 - HB3 ARG 30 - HD3 LYS 20 lone 0 95 - 0 - HG2 ARG 30 - HD2 LYS 20 lone 0 94 - 0 - HG2 ARG 30 - HD3 LYS 20 lone 0 94 - 0 - HG2 ARG 30 - HD3 LYS 96 lone 0 83 - 0 - HB3 ARG 30 - HD3 LYS 43 lone 0 93 - 0 - HG LEU 38 - HG12 ILE 71 lone 0 65 - 0 - HG LEU 6 - HD2 LYS 96 lone 0 64 - 0 - HG2 ARG 30 - HD2 LYS 96 lone 0 78 - 0 - HB2 LYS 61 - HD2 LYS 20 lone 0 90 - 0 - HB2 LYS 61 - HD3 LYS 20 lone 0 89 - 0 - HG2 ARG 30 - HD3 LYS 43 lone 0 91 - 0 - HB2 LYS 61 - HD3 LYS 43 lone 0 86 - 0 - HG LEU 38 - HD2 LYS 73 lone 0 75 - 0 - HG2 LYS 43 - HG12 ILE 71 lone 0 86 - 0 - HG LEU 6 - HG12 ILE 71 lone 0 69 - 0 - HG LEU 38 - HD3 LYS 73 lone 0 74 - 0 - HB3 ARG 30 - HD2 LYS 43 lone 0 79 - 0 - HG2 ARG 30 - HD2 LYS 73 lone 0 92 - 0 - HG2 ARG 30 - HD3 LYS 73 lone 0 91 - 0 - HB3 ARG 30 - HD2 LYS 73 lone 0 94 - 0 - HB3 ARG 30 - HD3 LYS 73 lone 0 93 - 0 - HG2 ARG 30 - HD2 LYS 43 lone 0 77 - 0 - HB3 ARG 30 - HD3 LYS 96 lone 0 85 - 0 - HB2 LYS 61 - HD2 LYS 43 lone 0 72 - 0 - HB3 LEU 14 - HD3 LYS 96 lone 0 85 - 0 - HB3 ARG 30 - HD2 LYS 96 lone 0 80 - 0 - HB2 LYS 61 - HD2 LYS 73 lone 0 88 - 0 - HB2 LYS 61 - HD3 LYS 73 lone 0 86 - 0 - HB3 LEU 14 - HD2 LYS 96 lone 0 80 - 0 - HB2 LYS 61 - HG12 ILE 71 lone 0 78 - 0 - HB2 LYS 61 - HD3 LYS 96 lone 0 78 - 0 - HB2 LYS 61 - HD2 LYS 96 lone 0 73 - 0 - Peak 3087 from cnoeabs.peaks (1.48, 1.69, 28.78 ppm; 2.40 A): 4 out of 126 assignments used, quality = 1.00: HG3 LYS 73 + HD2 LYS 73 OK 77 99 - 77 - 3.0=53, 5170/1.8=8...(19) HG3 LYS 73 + HD3 LYS 73 OK 76 98 - 77 - 3.0=53, 5170/1.8=8...(19) * HG3 LYS 20 + HD2 LYS 20 OK 75 100 - 75 - 3.0=54, 3078/1.8=7...(15) HG3 LYS 20 + HD3 LYS 20 OK 75 100 - 75 - 3.0=54, 3078/1.8=7...(15) HG3 LYS 20 - HD2 LYS 73 OK 22 99 - 22 - 3078=3, 3079/1.8=2...(4) HG3 LYS 20 - HD3 LYS 43 OK 22 99 - 22 - 3079=3, 1.8/3069=2...(8) HG3 LYS 20 - HD3 LYS 73 OK 22 99 - 22 - 3079=3, 3078/1.8=2...(4) HG3 LYS 73 - HD3 LYS 20 OK 20 100 - 20 - 5170=3, 5170/1.8=2, 1.8/5177=2 HG3 LYS 73 - HD2 LYS 20 OK 20 100 - 20 - 5169=3, 5170/1.8=2, 1.8/5177=2 HG3 LYS 20 - HD2 LYS 43 OK 19 87 - 22 - 3079=3, 1.8/3069=2...(8) HG3 LYS 73 - HD3 LYS 43 OK 19 98 - 19 - 5170=3, 5170/1.8=2...(5) HG3 LYS 73 - HD2 LYS 43 OK 17 86 - 20 - 5170=3, 5170/1.8=2...(5) HG3 LYS 73 - HD3 LYS 96 lone 8 92 - 9 - 5170=1 HG3 LYS 73 - HD2 LYS 96 lone 8 87 - 9 - 5170=1 HG3 LYS 20 - HD3 LYS 96 lone 7 92 - 7 - 3079=1 HG3 LYS 20 - HD2 LYS 96 lone 6 87 - 7 - 3079=1 HB2 LEU 74 - HG12 ILE 71 lone 6 80 - 7 - 9789/3.2=3, 11275/3.9=2 HB3 LEU 45 - HD2 LYS 73 lone 3 90 - 4 - HB3 LEU 45 - HD3 LYS 73 lone 3 89 - 3 - HB3 LEU 45 - HD2 LYS 20 lone 3 92 - 3 - HB3 LEU 45 - HD3 LYS 20 lone 3 92 - 3 - HG3 LYS 73 - HG12 ILE 71 lone 3 91 - 3 - HG2 LYS 39 - HD3 LYS 96 lone 2 51 - 4 - HB3 LEU 45 - HD3 LYS 96 lone 2 80 - 2 - HB2 LEU 74 - HD2 LYS 73 lone 2 90 - 2 - HG2 LYS 39 - HD2 LYS 96 lone 2 47 - 3 - HB2 LEU 74 - HD3 LYS 73 lone 2 89 - 2 - HB3 LEU 45 - HD2 LYS 96 lone 2 75 - 2 - HB3 LEU 45 - HD3 LYS 43 lone 1 89 - 1 - HG2 LYS 39 - HD3 LYS 43 lone 1 58 - 2 - HB3 LEU 45 - HD2 LYS 43 lone 1 75 - 1 - HG3 ARG 118 - HD2 LYS 20 lone 1 97 - 1 - HG3 ARG 118 - HD3 LYS 20 lone 1 97 - 1 - HG2 LYS 39 - HD2 LYS 73 lone 1 60 - 1 - HG2 LYS 39 - HD2 LYS 43 lone 1 47 - 2 - HG2 LYS 39 - HD3 LYS 73 lone 1 58 - 1 - HB3 LEU 45 - HG12 ILE 71 lone 1 80 - 1 - HG2 LYS 39 - HD2 LYS 20 lone 1 61 - 1 - HG2 LYS 39 - HD3 LYS 20 lone 1 61 - 1 - HG3 LYS 49 - HG12 ILE 71 lone 1 55 - 1 - HG2 LYS 49 - HG12 ILE 71 lone 1 55 - 1 - HB3 LEU 6 - HD3 LYS 20 lone 1 65 - 1 - HB3 LEU 6 - HD2 LYS 20 lone 1 65 - 1 - HB3 LEU 38 - HD3 LYS 20 lone 1 77 - 1 - HB3 LEU 38 - HD2 LYS 20 lone 1 77 - 1 - HG3 LYS 20 - HG12 ILE 71 lone 1 92 - 1 - HB2 LEU 74 - HD2 LYS 20 lone 1 92 - 1 - HB2 LEU 74 - HD3 LYS 20 lone 1 92 - 1 - HB3 LEU 38 - HD3 LYS 96 lone 0 66 - 1 - HG12 ILE 57 - HD2 LYS 20 lone 0 73 - 1 - HB3 LEU 6 - HD3 LYS 43 lone 0 62 - 1 - HG12 ILE 57 - HD3 LYS 20 lone 0 73 - 1 - HB3 LEU 38 - HD2 LYS 96 lone 0 61 - 1 - HG3 ARG 118 - HD2 LYS 73 lone 0 96 - 0 - HG3 ARG 118 - HD3 LYS 73 lone 0 94 - 0 - HB3 LEU 6 - HD2 LYS 43 lone 0 50 - 1 - HB3 LEU 38 - HG12 ILE 71 lone 0 65 - 1 - HB3 LEU 6 - HD2 LYS 73 lone 0 64 - 1 - HG2 LYS 39 - HG12 ILE 71 lone 0 51 - 1 - HG2 LYS 106 - HD2 LYS 20 lone 0 73 - 0 - HG2 LYS 106 - HD3 LYS 20 lone 0 73 - 0 - HB3 LEU 6 - HD3 LYS 73 lone 0 62 - 1 - HB2 LEU 74 - HD3 LYS 43 lone 0 89 - 0 - HG2 LYS 106 - HG12 ILE 71 lone 0 62 - 0 - HB3 LEU 38 - HD2 LYS 73 lone 0 75 - 0 - HB3 LEU 38 - HD3 LYS 43 lone 0 74 - 0 - HB3 LEU 38 - HD3 LYS 73 lone 0 74 - 0 - HD2 LYS 53 - HG12 ILE 71 lone 0 90 - 0 - HG3 LYS 49 - HD2 LYS 20 lone 0 65 - 0 - HG2 LYS 49 - HD2 LYS 20 lone 0 65 - 0 - HG3 LYS 49 - HD3 LYS 20 lone 0 65 - 0 - HG2 LYS 49 - HD3 LYS 20 lone 0 65 - 0 - HG12 ILE 7 - HD3 LYS 20 lone 0 69 - 0 - HG12 ILE 7 - HD2 LYS 20 lone 0 70 - 0 - HB2 LEU 74 - HD2 LYS 43 lone 0 75 - 0 - HG3 ARG 118 - HG12 ILE 71 lone 0 86 - 0 - HB3 LEU 6 - HD3 LYS 96 lone 0 55 - 0 - HG3 ARG 118 - HD3 LYS 43 lone 0 94 - 0 - HD2 LYS 53 - HD2 LYS 20 lone 0 99 - 0 - HD2 LYS 53 - HD3 LYS 20 lone 0 99 - 0 - HB3 LEU 38 - HD2 LYS 43 lone 0 61 - 0 - HB3 LEU 6 - HG12 ILE 71 lone 0 55 - 0 - HD2 LYS 53 - HD2 LYS 73 lone 0 98 - 0 - HB3 LEU 6 - HD2 LYS 96 lone 0 51 - 0 - HD2 LYS 53 - HD3 LYS 73 lone 0 97 - 0 - HG12 ILE 7 - HD3 LYS 43 lone 0 66 - 0 - HB2 LEU 74 - HD3 LYS 96 lone 0 80 - 0 - HB2 LEU 74 - HD2 LYS 96 lone 0 75 - 0 - HG12 ILE 7 - HD2 LYS 73 lone 0 68 - 0 - HG12 ILE 57 - HD2 LYS 73 lone 0 71 - 0 - HG12 ILE 7 - HD3 LYS 73 lone 0 66 - 0 - HG3 ARG 118 - HD2 LYS 43 lone 0 81 - 0 - HG3 LYS 49 - HD3 LYS 96 lone 0 55 - 0 - HG2 LYS 49 - HD3 LYS 96 lone 0 55 - 0 - HG12 ILE 57 - HD3 LYS 73 lone 0 70 - 0 - HD2 LYS 53 - HD3 LYS 43 lone 0 97 - 0 - HG3 LYS 49 - HD2 LYS 96 lone 0 51 - 0 - HG2 LYS 49 - HD2 LYS 96 lone 0 51 - 0 - HG12 ILE 7 - HD2 LYS 43 lone 0 54 - 0 - HG12 ILE 7 - HD3 LYS 96 lone 0 59 - 0 - HG3 LYS 49 - HD2 LYS 73 lone 0 64 - 0 - HG2 LYS 49 - HD2 LYS 73 lone 0 64 - 0 - HG2 LYS 106 - HD3 LYS 96 lone 0 62 - 0 - HG12 ILE 57 - HD3 LYS 43 lone 0 70 - 0 - HG2 LYS 49 - HD3 LYS 73 lone 0 62 - 0 - HG3 LYS 49 - HD3 LYS 73 lone 0 62 - 0 - HG2 LYS 106 - HD2 LYS 73 lone 0 71 - 0 - HD2 LYS 53 - HD2 LYS 43 lone 0 85 - 0 - HG3 ARG 118 - HD3 LYS 96 lone 0 87 - 0 - HG3 LYS 49 - HD3 LYS 43 lone 0 62 - 0 - HG2 LYS 49 - HD3 LYS 43 lone 0 62 - 0 - HG2 LYS 106 - HD3 LYS 73 lone 0 70 - 0 - HD2 LYS 53 - HD3 LYS 96 lone 0 90 - 0 - HG12 ILE 7 - HD2 LYS 96 lone 0 54 - 0 - HG2 LYS 106 - HD2 LYS 96 lone 0 58 - 0 - HG2 LYS 106 - HD3 LYS 43 lone 0 70 - 0 - HG3 ARG 118 - HD2 LYS 96 lone 0 81 - 0 - HD2 LYS 53 - HD2 LYS 96 lone 0 85 - 0 - HG12 ILE 57 - HG12 ILE 71 lone 0 62 - 0 - HG12 ILE 7 - HG12 ILE 71 lone 0 58 - 0 - HG12 ILE 57 - HD2 LYS 43 lone 0 57 - 0 - HG12 ILE 57 - HD3 LYS 96 lone 0 62 - 0 - HG2 LYS 49 - HD2 LYS 43 lone 0 50 - 0 - HG3 LYS 49 - HD2 LYS 43 lone 0 50 - 0 - HG2 LYS 106 - HD2 LYS 43 lone 0 57 - 0 - HG12 ILE 57 - HD2 LYS 96 lone 0 58 - 0 - Peak 3088 from cnoeabs.peaks (1.69, 1.69, 28.78 ppm; diagonal): 9 out of 9 assignments used, quality = 1.00: * HD2 LYS 20 + HD2 LYS 20 OK 100 100 - 100 HD3 LYS 20 + HD3 LYS 20 OK 100 100 - 100 HD2 LYS 73 + HD2 LYS 73 OK 99 99 - 100 HD3 LYS 73 + HD3 LYS 73 OK 97 97 - 100 HD3 LYS 43 + HD3 LYS 43 OK 97 97 - 100 HD3 LYS 96 + HD3 LYS 96 OK 89 89 - 100 HG12 ILE 71 + HG12 ILE 71 OK 88 88 - 100 HD2 LYS 96 + HD2 LYS 96 OK 81 81 - 100 HD2 LYS 43 + HD2 LYS 43 OK 77 77 - 100 Peak 3089 from cnoeabs.peaks (1.69, 1.69, 28.78 ppm; diagonal): 9 out of 9 assignments used, quality = 1.00: HD2 LYS 20 + HD2 LYS 20 OK 100 100 - 100 HD3 LYS 20 + HD3 LYS 20 OK 100 100 - 100 HD2 LYS 73 + HD2 LYS 73 OK 99 99 - 100 HD3 LYS 73 + HD3 LYS 73 OK 98 98 - 100 HD3 LYS 43 + HD3 LYS 43 OK 98 98 - 100 HD3 LYS 96 + HD3 LYS 96 OK 90 90 - 100 HG12 ILE 71 + HG12 ILE 71 OK 86 86 - 100 HD2 LYS 96 + HD2 LYS 96 OK 83 83 - 100 HD2 LYS 43 + HD2 LYS 43 OK 79 79 - 100 Reference assignment not found: HD3 LYS 20 - HD2 LYS 20 Peak 3090 from cnoeabs.peaks (2.96, 1.69, 28.78 ppm; 2.53 A): 11 out of 144 assignments used, quality = 1.00: HE3 LYS 20 + HD2 LYS 20 OK 77 100 - 77 - 3.0=61, 3071/3.0=3...(17) * HE2 LYS 20 + HD2 LYS 20 OK 77 100 - 77 - 3.0=61, 3071/3.0=3...(17) HE2 LYS 20 + HD3 LYS 20 OK 77 100 - 77 - 3.0=61, 3070/3.0=3...(17) HE3 LYS 20 + HD3 LYS 20 OK 77 100 - 77 - 3.0=61, 3070/3.0=3...(17) HE3 LYS 43 + HD3 LYS 43 OK 64 86 - 74 - 3.0=61, 3.9/3847=3...(14) HE3 LYS 73 + HD2 LYS 73 OK 64 82 - 78 - 2.9=65, 3.8/5170=4...(17) HE3 LYS 73 + HD3 LYS 73 OK 62 80 - 78 - 2.9=65, 3.8/5170=4...(17) HE3 LYS 43 + HD2 LYS 43 OK 54 72 - 74 - 3.0=61, 3.9/3847=3...(14) HE2 LYS 43 + HD3 LYS 43 OK 53 70 - 75 - 3.0=61, 3.9/3847=3...(16) HE2 LYS 73 + HD2 LYS 73 OK 50 64 - 79 - 2.9=65, 3.8/5170=4...(17) HE2 LYS 73 + HD3 LYS 73 OK 49 62 - 79 - 2.9=65, 3.8/5170=4...(17) HE2 LYS 43 - HD2 LYS 43 OK 43 57 - 75 - 3.0=61, 3.9/3847=3...(16) HE3 LYS 43 - HD3 LYS 20 OK 17 89 - 19 - 3071/3.0=1, 3081/3.0=1 HE3 LYS 43 - HD2 LYS 20 OK 17 90 - 19 - 3071/3.0=1, 3081/3.0=1 HE3 LYS 73 - HD3 LYS 20 OK 15 84 - 18 - 3070/3.0=1, 3081/3.0=1 HE3 LYS 73 - HD2 LYS 20 OK 15 84 - 18 - 3070/3.0=1, 3080/3.0=1 HE2 LYS 43 - HD3 LYS 20 OK 14 73 - 20 - 3070/3.0=1, 3080/3.0=1 HE2 LYS 43 - HD2 LYS 20 OK 14 73 - 20 - 3070/3.0=1, 3080/3.0=1 HE2 LYS 73 - HD3 LYS 20 OK 12 65 - 19 - HE2 LYS 73 - HD2 LYS 20 OK 12 65 - 19 - HE3 LYS 40 - HD3 LYS 20 OK 12 100 - 12 - HE3 LYS 40 - HD2 LYS 20 OK 12 100 - 12 - HE3 LYS 20 - HD2 LYS 73 OK 12 99 - 12 - HE2 LYS 20 - HD2 LYS 73 OK 12 99 - 12 - HE2 LYS 20 - HD3 LYS 73 OK 12 99 - 12 - HE3 LYS 20 - HD3 LYS 73 OK 12 99 - 12 - HE3 LYS 43 - HD2 LYS 73 OK 11 88 - 13 - 5207/3.0=1 HE2 LYS 40 - HD3 LYS 20 OK 11 99 - 11 - HE2 LYS 40 - HD2 LYS 20 OK 11 99 - 11 - HE2 LYS 20 - HD3 LYS 43 OK 11 99 - 12 - 3.9/3069=1 HE3 LYS 20 - HD3 LYS 43 OK 11 99 - 12 - 3.9/3069=1 HE3 LYS 43 - HD3 LYS 73 OK 11 86 - 13 - 5207/3.0=1 HE3 LYS 20 - HD2 LYS 43 poor 10 87 - 12 - HE2 LYS 20 - HD2 LYS 43 poor 10 87 - 12 - HE2 LYS 43 - HD2 LYS 73 poor 10 71 - 14 - 5207/3.0=1 HE2 LYS 43 - HD3 LYS 73 poor 9 70 - 14 - 5207/3.0=1 HE3 LYS 40 - HD3 LYS 43 lone 9 98 - 9 - HE2 LYS 40 - HD3 LYS 43 lone 9 97 - 9 - HE3 LYS 73 - HD3 LYS 43 poor 9 80 - 11 - HE3 LYS 40 - HD2 LYS 43 lone 8 86 - 9 - HE2 LYS 40 - HD2 LYS 43 lone 8 85 - 9 - HE3 LYS 73 - HD2 LYS 43 poor 7 67 - 11 - HE2 LYS 73 - HD3 LYS 43 poor 7 62 - 12 - HE2 LYS 20 - HD3 LYS 96 lone 6 92 - 7 - HE3 LYS 20 - HD3 LYS 96 lone 6 92 - 7 - HE2 LYS 20 - HD2 LYS 96 lone 6 87 - 7 - HE3 LYS 20 - HD2 LYS 96 lone 6 87 - 7 - HE2 LYS 73 - HD2 LYS 43 poor 6 50 - 12 - HE3 LYS 40 - HD2 LYS 73 lone 5 99 - 5 - HE3 LYS 40 - HD3 LYS 73 lone 5 98 - 5 - HE3 LYS 73 - HD3 LYS 96 lone 5 72 - 7 - HE2 LYS 40 - HD2 LYS 73 lone 5 98 - 5 - HE2 LYS 40 - HD3 LYS 73 lone 5 97 - 5 - HE3 LYS 43 - HD3 LYS 96 lone 5 78 - 6 - HE3 LYS 73 - HD2 LYS 96 lone 5 67 - 7 - HE3 LYS 43 - HD2 LYS 96 lone 4 73 - 6 - HE3 LYS 40 - HD3 LYS 96 lone 4 92 - 4 - HE2 LYS 40 - HD3 LYS 96 lone 4 90 - 4 - HE3 LYS 40 - HD2 LYS 96 lone 4 87 - 4 - HE2 LYS 73 - HD3 LYS 96 lone 4 55 - 7 - HE2 LYS 40 - HD2 LYS 96 lone 4 85 - 4 - HE2 LYS 43 - HD3 LYS 96 lone 4 62 - 6 - HE2 LYS 73 - HD2 LYS 96 lone 4 51 - 7 - HE2 LYS 43 - HD2 LYS 96 lone 3 58 - 6 - HE2 LYS 39 - HD2 LYS 73 lone 2 75 - 3 - HE2 LYS 39 - HD3 LYS 73 lone 2 74 - 3 - HE2 LYS 39 - HD3 LYS 96 lone 2 66 - 3 - HE3 LYS 39 - HD2 LYS 73 lone 2 68 - 3 - HE3 LYS 39 - HD3 LYS 73 lone 2 66 - 3 - HE2 LYS 39 - HD3 LYS 20 lone 2 77 - 2 - HE2 LYS 39 - HD2 LYS 20 lone 2 77 - 2 - HD3 ARG 118 - HD2 LYS 20 lone 2 97 - 2 - HD3 ARG 118 - HD3 LYS 20 lone 2 97 - 2 - HE2 LYS 39 - HD2 LYS 96 lone 2 61 - 3 - HE2 LYS 39 - HD3 LYS 43 lone 2 74 - 2 - HE3 LYS 39 - HD3 LYS 96 lone 2 59 - 3 - HE3 LYS 39 - HD3 LYS 20 lone 2 69 - 2 - HE3 LYS 39 - HD2 LYS 20 lone 2 70 - 2 - HE3 LYS 39 - HD2 LYS 96 lone 2 54 - 3 - HE3 LYS 39 - HD3 LYS 43 lone 2 66 - 2 - HE2 LYS 39 - HD2 LYS 43 lone 1 61 - 2 - HE3 LYS 39 - HD2 LYS 43 lone 1 54 - 2 - HE3 LYS 73 - HG12 ILE 71 lone 1 72 - 1 - HE3 LYS 106 - HD2 LYS 20 lone 1 90 - 1 - HE3 LYS 106 - HD3 LYS 20 lone 1 89 - 1 - HE2 LYS 106 - HD2 LYS 20 lone 1 87 - 1 - HE2 LYS 106 - HD3 LYS 20 lone 1 87 - 1 - HE2 LYS 73 - HG12 ILE 71 lone 1 55 - 1 - HB2 ASN 24 - HD2 LYS 20 lone 0 100 - 0 - HB3 ASN 24 - HD2 LYS 20 lone 0 100 - 0 - HB3 ASN 24 - HD3 LYS 20 lone 0 100 - 0 - HB2 ASN 24 - HD3 LYS 20 lone 0 100 - 0 - HE3 LYS 106 - HG12 ILE 71 lone 0 78 - 0 - HE2 LYS 106 - HG12 ILE 71 lone 0 75 - 0 - HE3 LYS 106 - HD3 LYS 96 lone 0 78 - 0 - HE2 LYS 106 - HD3 LYS 96 lone 0 75 - 0 - HD3 ARG 118 - HD2 LYS 73 lone 0 96 - 0 - HD3 ARG 118 - HD3 LYS 73 lone 0 94 - 0 - HE3 LYS 106 - HD2 LYS 96 lone 0 73 - 0 - HE3 LYS 20 - HG12 ILE 71 lone 0 92 - 0 - HE2 LYS 20 - HG12 ILE 71 lone 0 92 - 0 - HE2 LYS 106 - HD2 LYS 96 lone 0 70 - 0 - HB3 ASN 24 - HD2 LYS 73 lone 0 99 - 0 - HB2 ASN 24 - HD2 LYS 73 lone 0 99 - 0 - HB3 ASN 24 - HD3 LYS 73 lone 0 98 - 0 - HB2 ASN 24 - HD3 LYS 73 lone 0 98 - 0 - HB2 ASN 24 - HD3 LYS 43 lone 0 98 - 0 - HB3 ASN 24 - HD3 LYS 43 lone 0 98 - 0 - HD3 ARG 118 - HD3 LYS 43 lone 0 94 - 0 - HE3 LYS 106 - HD3 LYS 43 lone 0 86 - 0 - HE2 LYS 106 - HD3 LYS 43 lone 0 83 - 0 - HB3 PHE 51 - HD2 LYS 20 lone 0 100 - 0 - HB3 PHE 51 - HD3 LYS 20 lone 0 100 - 0 - HE3 LYS 106 - HD2 LYS 73 lone 0 88 - 0 - HE3 LYS 106 - HD3 LYS 73 lone 0 86 - 0 - HB2 ASN 24 - HD2 LYS 43 lone 0 86 - 0 - HB3 ASN 24 - HD2 LYS 43 lone 0 86 - 0 - HE3 LYS 40 - HG12 ILE 71 lone 0 91 - 0 - HE2 LYS 106 - HD2 LYS 73 lone 0 85 - 0 - HE2 LYS 40 - HG12 ILE 71 lone 0 90 - 0 - HE2 LYS 106 - HD3 LYS 73 lone 0 83 - 0 - HE3 LYS 43 - HG12 ILE 71 lone 0 78 - 0 - HD3 ARG 118 - HG12 ILE 71 lone 0 86 - 0 - HB3 PHE 51 - HD2 LYS 73 lone 0 99 - 0 - HD3 ARG 118 - HD2 LYS 43 lone 0 81 - 0 - HB3 PHE 51 - HD3 LYS 73 lone 0 98 - 0 - HB3 PHE 51 - HD3 LYS 43 lone 0 98 - 0 - HE3 LYS 106 - HD2 LYS 43 lone 0 72 - 0 - HE2 LYS 106 - HD2 LYS 43 lone 0 70 - 0 - HB3 ASN 24 - HD3 LYS 96 lone 0 91 - 0 - HB2 ASN 24 - HD3 LYS 96 lone 0 91 - 0 - HB2 ASN 24 - HG12 ILE 71 lone 0 91 - 0 - HB3 ASN 24 - HG12 ILE 71 lone 0 91 - 0 - HB3 PHE 51 - HD3 LYS 96 lone 0 91 - 0 - HD3 ARG 118 - HD3 LYS 96 lone 0 87 - 0 - HB2 ASN 24 - HD2 LYS 96 lone 0 86 - 0 - HB3 ASN 24 - HD2 LYS 96 lone 0 86 - 0 - HB3 PHE 51 - HD2 LYS 43 lone 0 86 - 0 - HB3 PHE 51 - HD2 LYS 96 lone 0 86 - 0 - HD3 ARG 118 - HD2 LYS 96 lone 0 81 - 0 - HB3 PHE 51 - HG12 ILE 71 lone 0 91 - 0 - HE2 LYS 43 - HG12 ILE 71 lone 0 62 - 0 - HE2 LYS 39 - HG12 ILE 71 lone 0 65 - 0 - HE3 LYS 39 - HG12 ILE 71 lone 0 58 - 0 - Peak 3091 from cnoeabs.peaks (2.96, 1.69, 28.78 ppm; 2.53 A): 11 out of 144 assignments used, quality = 1.00: * HE3 LYS 20 + HD2 LYS 20 OK 77 100 - 77 - 3.0=61, 3071/3.0=3...(17) HE2 LYS 20 + HD2 LYS 20 OK 77 100 - 77 - 3.0=61, 3071/3.0=3...(17) HE2 LYS 20 + HD3 LYS 20 OK 77 100 - 77 - 3.0=61, 3070/3.0=3...(17) HE3 LYS 20 + HD3 LYS 20 OK 77 100 - 77 - 3.0=61, 3070/3.0=3...(17) HE3 LYS 43 + HD3 LYS 43 OK 64 86 - 74 - 3.0=61, 3.9/3847=3...(14) HE3 LYS 73 + HD2 LYS 73 OK 64 82 - 78 - 2.9=65, 3.8/5170=4...(17) HE3 LYS 73 + HD3 LYS 73 OK 62 80 - 78 - 2.9=65, 3.8/5170=4...(17) HE3 LYS 43 + HD2 LYS 43 OK 54 72 - 74 - 3.0=61, 3.9/3847=3...(14) HE2 LYS 43 + HD3 LYS 43 OK 53 70 - 75 - 3.0=61, 3.9/3847=3...(16) HE2 LYS 73 + HD2 LYS 73 OK 50 64 - 79 - 2.9=65, 3.8/5170=4...(17) HE2 LYS 73 + HD3 LYS 73 OK 49 62 - 79 - 2.9=65, 3.8/5170=4...(17) HE2 LYS 43 - HD2 LYS 43 OK 43 57 - 75 - 3.0=61, 3.9/3847=3...(16) HE3 LYS 43 - HD3 LYS 20 OK 17 89 - 19 - 3071/3.0=1, 3081/3.0=1 HE3 LYS 43 - HD2 LYS 20 OK 17 90 - 19 - 3071/3.0=1, 3081/3.0=1 HE3 LYS 73 - HD3 LYS 20 OK 15 84 - 18 - 3070/3.0=1, 3081/3.0=1 HE3 LYS 73 - HD2 LYS 20 OK 15 84 - 18 - 3070/3.0=1, 3080/3.0=1 HE2 LYS 43 - HD3 LYS 20 OK 14 73 - 20 - 3070/3.0=1, 3080/3.0=1 HE2 LYS 43 - HD2 LYS 20 OK 14 73 - 20 - 3070/3.0=1, 3080/3.0=1 HE2 LYS 73 - HD3 LYS 20 OK 12 65 - 19 - HE2 LYS 73 - HD2 LYS 20 OK 12 65 - 19 - HE3 LYS 40 - HD3 LYS 20 OK 12 100 - 12 - HE3 LYS 40 - HD2 LYS 20 OK 12 100 - 12 - HE3 LYS 20 - HD2 LYS 73 OK 12 99 - 12 - HE2 LYS 20 - HD2 LYS 73 OK 12 99 - 12 - HE2 LYS 20 - HD3 LYS 73 OK 12 99 - 12 - HE3 LYS 20 - HD3 LYS 73 OK 12 99 - 12 - HE3 LYS 43 - HD2 LYS 73 OK 11 88 - 13 - 5207/3.0=1 HE2 LYS 40 - HD3 LYS 20 OK 11 99 - 11 - HE2 LYS 40 - HD2 LYS 20 OK 11 99 - 11 - HE2 LYS 20 - HD3 LYS 43 OK 11 99 - 12 - 3.9/3069=1 HE3 LYS 20 - HD3 LYS 43 OK 11 99 - 12 - 3.9/3069=1 HE3 LYS 43 - HD3 LYS 73 OK 11 86 - 13 - 5207/3.0=1 HE3 LYS 20 - HD2 LYS 43 poor 10 87 - 12 - HE2 LYS 20 - HD2 LYS 43 poor 10 87 - 12 - HE2 LYS 43 - HD2 LYS 73 poor 10 71 - 14 - 5207/3.0=1 HE2 LYS 43 - HD3 LYS 73 poor 9 70 - 14 - 5207/3.0=1 HE3 LYS 40 - HD3 LYS 43 lone 9 98 - 9 - HE2 LYS 40 - HD3 LYS 43 lone 9 97 - 9 - HE3 LYS 73 - HD3 LYS 43 poor 9 80 - 11 - HE3 LYS 40 - HD2 LYS 43 lone 8 86 - 9 - HE2 LYS 40 - HD2 LYS 43 lone 8 85 - 9 - HE3 LYS 73 - HD2 LYS 43 poor 7 67 - 11 - HE2 LYS 73 - HD3 LYS 43 poor 7 62 - 12 - HE2 LYS 20 - HD3 LYS 96 lone 6 92 - 7 - HE3 LYS 20 - HD3 LYS 96 lone 6 92 - 7 - HE2 LYS 20 - HD2 LYS 96 lone 6 87 - 7 - HE3 LYS 20 - HD2 LYS 96 lone 6 87 - 7 - HE2 LYS 73 - HD2 LYS 43 poor 6 50 - 12 - HE3 LYS 40 - HD2 LYS 73 lone 5 99 - 5 - HE3 LYS 40 - HD3 LYS 73 lone 5 98 - 5 - HE3 LYS 73 - HD3 LYS 96 lone 5 72 - 7 - HE2 LYS 40 - HD2 LYS 73 lone 5 98 - 5 - HE2 LYS 40 - HD3 LYS 73 lone 5 97 - 5 - HE3 LYS 43 - HD3 LYS 96 lone 5 78 - 6 - HE3 LYS 73 - HD2 LYS 96 lone 5 67 - 7 - HE3 LYS 43 - HD2 LYS 96 lone 4 73 - 6 - HE3 LYS 40 - HD3 LYS 96 lone 4 92 - 4 - HE2 LYS 40 - HD3 LYS 96 lone 4 90 - 4 - HE3 LYS 40 - HD2 LYS 96 lone 4 87 - 4 - HE2 LYS 73 - HD3 LYS 96 lone 4 55 - 7 - HE2 LYS 40 - HD2 LYS 96 lone 4 85 - 4 - HE2 LYS 43 - HD3 LYS 96 lone 4 62 - 6 - HE2 LYS 73 - HD2 LYS 96 lone 4 51 - 7 - HE2 LYS 43 - HD2 LYS 96 lone 3 58 - 6 - HE2 LYS 39 - HD2 LYS 73 lone 2 75 - 3 - HE2 LYS 39 - HD3 LYS 73 lone 2 74 - 3 - HE2 LYS 39 - HD3 LYS 96 lone 2 66 - 3 - HE3 LYS 39 - HD2 LYS 73 lone 2 68 - 3 - HE3 LYS 39 - HD3 LYS 73 lone 2 66 - 3 - HE2 LYS 39 - HD3 LYS 20 lone 2 77 - 2 - HE2 LYS 39 - HD2 LYS 20 lone 2 77 - 2 - HD3 ARG 118 - HD2 LYS 20 lone 2 97 - 2 - HD3 ARG 118 - HD3 LYS 20 lone 2 97 - 2 - HE2 LYS 39 - HD2 LYS 96 lone 2 61 - 3 - HE2 LYS 39 - HD3 LYS 43 lone 2 74 - 2 - HE3 LYS 39 - HD3 LYS 96 lone 2 59 - 3 - HE3 LYS 39 - HD3 LYS 20 lone 2 69 - 2 - HE3 LYS 39 - HD2 LYS 20 lone 2 70 - 2 - HE3 LYS 39 - HD2 LYS 96 lone 2 54 - 3 - HE3 LYS 39 - HD3 LYS 43 lone 2 66 - 2 - HE2 LYS 39 - HD2 LYS 43 lone 1 61 - 2 - HE3 LYS 39 - HD2 LYS 43 lone 1 54 - 2 - HE3 LYS 73 - HG12 ILE 71 lone 1 72 - 1 - HE3 LYS 106 - HD2 LYS 20 lone 1 90 - 1 - HE3 LYS 106 - HD3 LYS 20 lone 1 89 - 1 - HE2 LYS 106 - HD2 LYS 20 lone 1 87 - 1 - HE2 LYS 106 - HD3 LYS 20 lone 1 87 - 1 - HE2 LYS 73 - HG12 ILE 71 lone 1 55 - 1 - HB2 ASN 24 - HD2 LYS 20 lone 0 100 - 0 - HB3 ASN 24 - HD2 LYS 20 lone 0 100 - 0 - HB3 ASN 24 - HD3 LYS 20 lone 0 100 - 0 - HB2 ASN 24 - HD3 LYS 20 lone 0 100 - 0 - HE3 LYS 106 - HG12 ILE 71 lone 0 78 - 0 - HE2 LYS 106 - HG12 ILE 71 lone 0 75 - 0 - HE3 LYS 106 - HD3 LYS 96 lone 0 78 - 0 - HE2 LYS 106 - HD3 LYS 96 lone 0 75 - 0 - HD3 ARG 118 - HD2 LYS 73 lone 0 96 - 0 - HD3 ARG 118 - HD3 LYS 73 lone 0 94 - 0 - HE3 LYS 106 - HD2 LYS 96 lone 0 73 - 0 - HE3 LYS 20 - HG12 ILE 71 lone 0 92 - 0 - HE2 LYS 20 - HG12 ILE 71 lone 0 92 - 0 - HE2 LYS 106 - HD2 LYS 96 lone 0 70 - 0 - HB3 ASN 24 - HD2 LYS 73 lone 0 99 - 0 - HB2 ASN 24 - HD2 LYS 73 lone 0 99 - 0 - HB3 ASN 24 - HD3 LYS 73 lone 0 98 - 0 - HB2 ASN 24 - HD3 LYS 73 lone 0 98 - 0 - HB2 ASN 24 - HD3 LYS 43 lone 0 98 - 0 - HB3 ASN 24 - HD3 LYS 43 lone 0 98 - 0 - HD3 ARG 118 - HD3 LYS 43 lone 0 94 - 0 - HE3 LYS 106 - HD3 LYS 43 lone 0 86 - 0 - HE2 LYS 106 - HD3 LYS 43 lone 0 83 - 0 - HB3 PHE 51 - HD2 LYS 20 lone 0 100 - 0 - HB3 PHE 51 - HD3 LYS 20 lone 0 100 - 0 - HE3 LYS 106 - HD2 LYS 73 lone 0 88 - 0 - HE3 LYS 106 - HD3 LYS 73 lone 0 86 - 0 - HB2 ASN 24 - HD2 LYS 43 lone 0 86 - 0 - HB3 ASN 24 - HD2 LYS 43 lone 0 86 - 0 - HE3 LYS 40 - HG12 ILE 71 lone 0 91 - 0 - HE2 LYS 106 - HD2 LYS 73 lone 0 85 - 0 - HE2 LYS 40 - HG12 ILE 71 lone 0 90 - 0 - HE2 LYS 106 - HD3 LYS 73 lone 0 83 - 0 - HE3 LYS 43 - HG12 ILE 71 lone 0 78 - 0 - HD3 ARG 118 - HG12 ILE 71 lone 0 86 - 0 - HB3 PHE 51 - HD2 LYS 73 lone 0 99 - 0 - HD3 ARG 118 - HD2 LYS 43 lone 0 81 - 0 - HB3 PHE 51 - HD3 LYS 73 lone 0 98 - 0 - HB3 PHE 51 - HD3 LYS 43 lone 0 98 - 0 - HE3 LYS 106 - HD2 LYS 43 lone 0 72 - 0 - HE2 LYS 106 - HD2 LYS 43 lone 0 70 - 0 - HB3 ASN 24 - HD3 LYS 96 lone 0 91 - 0 - HB2 ASN 24 - HD3 LYS 96 lone 0 91 - 0 - HB2 ASN 24 - HG12 ILE 71 lone 0 91 - 0 - HB3 ASN 24 - HG12 ILE 71 lone 0 91 - 0 - HB3 PHE 51 - HD3 LYS 96 lone 0 91 - 0 - HD3 ARG 118 - HD3 LYS 96 lone 0 87 - 0 - HB2 ASN 24 - HD2 LYS 96 lone 0 86 - 0 - HB3 ASN 24 - HD2 LYS 96 lone 0 86 - 0 - HB3 PHE 51 - HD2 LYS 43 lone 0 86 - 0 - HB3 PHE 51 - HD2 LYS 96 lone 0 86 - 0 - HD3 ARG 118 - HD2 LYS 96 lone 0 81 - 0 - HB3 PHE 51 - HG12 ILE 71 lone 0 91 - 0 - HE2 LYS 43 - HG12 ILE 71 lone 0 62 - 0 - HE2 LYS 39 - HG12 ILE 71 lone 0 65 - 0 - HE3 LYS 39 - HG12 ILE 71 lone 0 58 - 0 - Peak 3092 from cnoeabs.peaks (7.30, 1.69, 28.78 ppm; 6.20 A): 6 out of 18 assignments used, quality = 1.00: * H LYS 20 + HD3 LYS 20 OK 100 100 - 100 - 6.2=98, 3072/3.0=47...(27) H LYS 20 + HD2 LYS 20 OK 100 100 - 100 - 6.2=98, 3072/3.0=47...(27) H LYS 20 + HD3 LYS 43 OK 56 99 - 57 - ~3841=10, 1143/2.9=8...(19) H LYS 20 + HD2 LYS 73 OK 52 100 - 53 - 1144/3.0=9, ~3037=7...(18) H LYS 20 + HD3 LYS 73 OK 52 99 - 53 - 1144/3.0=9, ~3037=7...(18) H LYS 20 + HD2 LYS 43 OK 51 90 - 57 - ~3841=10, 1143/2.9=8...(19) H LYS 20 - HD3 LYS 96 OK 14 94 - 14 - 4.9/3069=1, 4.9/3079=1 H LYS 20 - HD2 LYS 96 OK 13 90 - 14 - 4.9/3069=1, 4.9/3079=1 HE21 GLN 100 - HD3 LYS 20 lone 3 70 - 5 - 3062/3.0=1 HE21 GLN 100 - HD2 LYS 20 lone 3 69 - 5 - 3062/3.0=1 H LYS 20 - HG12 ILE 71 lone 3 89 - 3 - HE21 GLN 100 - HD3 LYS 96 lone 2 60 - 3 - HE21 GLN 100 - HD2 LYS 73 lone 2 69 - 2 - HE21 GLN 100 - HD3 LYS 73 lone 2 68 - 2 - HE21 GLN 100 - HD2 LYS 96 lone 2 57 - 3 - HE21 GLN 100 - HD3 LYS 43 lone 1 68 - 2 - HE21 GLN 100 - HD2 LYS 43 lone 1 57 - 2 - HE21 GLN 100 - HG12 ILE 71 lone 1 56 - 2 - Peak 3093 from cnoeabs.peaks (4.09, 1.69, 28.78 ppm; 3.29 A): 4 out of 45 assignments used, quality = 1.00: HA LYS 20 + HD2 LYS 20 OK 79 100 - 79 - 5.3=24, 3063/3.0=16...(24) * HA LYS 20 + HD3 LYS 20 OK 79 100 - 79 - 5.3=24, 3063/3.0=16...(24) HA LYS 43 + HD3 LYS 43 OK 76 99 - 76 - 4.8=32, 3814/2.9=16...(17) HA LYS 43 + HD2 LYS 43 OK 69 90 - 77 - 4.8=32, 3814/2.9=16...(16) HA LYS 43 - HD2 LYS 20 OK 40 100 - 40 - 3814/3.0=8, 3073/3.0=6...(13) HA LYS 43 - HD3 LYS 20 OK 39 100 - 40 - 3814/3.0=8, 3073/3.0=6...(13) HA LYS 20 - HD3 LYS 43 OK 33 99 - 33 - 3841/2.9=6, 3039=4...(10) HA LYS 20 - HD2 LYS 73 OK 31 100 - 32 - 3037/3.0=5, 3038=4...(10) HA LYS 20 - HD3 LYS 73 OK 31 99 - 32 - 3037/3.0=5, 3039=4...(10) HA LYS 20 - HD2 LYS 43 OK 30 90 - 33 - 3841/2.9=6, 3039=4...(10) HA LYS 43 - HD2 LYS 73 OK 19 100 - 19 - 3816=2, 3816/1.8=2...(4) HA LYS 43 - HD3 LYS 73 OK 19 99 - 19 - 3816=2, 3816/1.8=2...(4) HA LYS 43 - HD3 LYS 96 OK 12 94 - 12 - 3816=1, 3.6/1288=1, 3816/1.8=1 HA LYS 43 - HD2 LYS 96 OK 10 90 - 12 - 3816=1, 3816/1.8=1 HA ASP 110 - HD3 LYS 43 poor 9 94 - 10 - 3841/2.9=2, ~10382=1...(5) HA ASP 110 - HD3 LYS 20 lone 9 96 - 9 - 3073/3.0=1, 3063/3.0=1 HA ASP 110 - HD2 LYS 20 lone 9 95 - 9 - 3073/3.0=1, 3063/3.0=1, ~10382=1 HA ASP 110 - HD2 LYS 43 poor 8 83 - 10 - 3841/2.9=2, 3.0/10382=1...(5) HA LYS 20 - HD3 LYS 96 lone 7 94 - 8 - 3039=1 HA LYS 20 - HD2 LYS 96 lone 7 90 - 8 - HA GLU 91 - HD3 LYS 96 lone 2 71 - 3 - HA GLU 91 - HD2 LYS 96 lone 2 67 - 3 - HA GLN 62 - HD3 LYS 20 lone 1 65 - 2 - HA GLN 62 - HD2 LYS 20 lone 1 65 - 2 - HA ASP 110 - HD2 LYS 73 lone 1 95 - 1 - HA ASP 110 - HD3 LYS 73 lone 1 94 - 1 - HA ASP 110 - HD3 LYS 96 lone 1 87 - 1 - HA GLU 91 - HD3 LYS 20 lone 1 81 - 1 - HA ASP 110 - HD2 LYS 96 lone 1 82 - 1 - HA GLU 91 - HD2 LYS 20 lone 1 80 - 1 - HA GLU 91 - HD3 LYS 43 lone 1 79 - 1 - HA LYS 20 - HG12 ILE 71 lone 1 89 - 1 - HA GLU 91 - HD2 LYS 43 lone 1 67 - 1 - HA LYS 43 - HG12 ILE 71 lone 1 89 - 1 - HA GLN 62 - HD3 LYS 43 lone 0 64 - 1 - HA GLU 91 - HD2 LYS 73 lone 0 80 - 1 - HA GLU 91 - HD3 LYS 73 lone 0 79 - 1 - HA ASP 110 - HG12 ILE 71 lone 0 82 - 0 - HA GLN 62 - HD2 LYS 43 lone 0 53 - 1 - HA GLN 62 - HG12 ILE 71 lone 0 52 - 1 - HA GLN 62 - HD3 LYS 96 lone 0 57 - 1 - HA GLU 91 - HG12 ILE 71 lone 0 66 - 0 - HA GLN 62 - HD2 LYS 96 lone 0 53 - 1 - HA GLN 62 - HD2 LYS 73 lone 0 65 - 0 - HA GLN 62 - HD3 LYS 73 lone 0 64 - 0 - Peak 3094 from cnoeabs.peaks (1.89, 1.69, 28.78 ppm; 2.72 A): 14 out of 189 assignments used, quality = 1.00: HB2 LYS 20 + HD2 LYS 20 OK 82 100 - 82 - 3.4=49, 2.9/3078=6...(39) HB3 LYS 20 + HD2 LYS 20 OK 82 100 - 82 - 3.4=49, 2.9/3078=6...(39) * HB2 LYS 20 + HD3 LYS 20 OK 82 100 - 82 - 3.4=49, 2.9/3078=6...(38) HB3 LYS 20 + HD3 LYS 20 OK 82 100 - 82 - 3.4=49, 2.9/3078=6...(38) HB3 LYS 73 + HD2 LYS 73 OK 74 99 - 75 - 3.8=35, 2.9/5170=7...(35) HB2 LYS 73 + HD2 LYS 73 OK 74 98 - 75 - 3.8=35, 2.9/5170=7...(35) HB3 LYS 73 + HD3 LYS 73 OK 74 98 - 75 - 3.8=35, 2.9/5170=7...(35) HB2 LYS 73 + HD3 LYS 73 OK 73 98 - 75 - 3.8=35, 2.9/5170=7...(35) HB ILE 71 + HG12 ILE 71 OK 68 85 - 80 - 3.0=73, ~5089=9, ~5107=7...(6) HB2 LYS 96 + HD3 LYS 96 OK 66 80 - 83 - 3.4=49, 1.8/6097=8...(38) HB2 LYS 96 + HD2 LYS 96 OK 63 76 - 83 - 3.4=49, 1.8/6097=8...(39) HB3 LYS 43 + HD3 LYS 43 OK 62 88 - 71 - 3.8=35, 3.0/3847=6...(28) HB3 LYS 43 + HD2 LYS 43 OK 54 76 - 72 - 3.8=35, 3.0/3847=6...(31) HB2 LYS 43 + HD3 LYS 43 OK 48 68 - 72 - 3.8=35, 3.0/3847=6...(28) HB2 LYS 43 - HD2 LYS 43 OK 41 57 - 72 - 3.8=35, 3.0/3847=6...(31) HB3 LYS 20 - HD2 LYS 73 OK 31 100 - 31 - 2.9/3078=2, 2.9/3068=2 HB2 LYS 20 - HD2 LYS 73 OK 31 100 - 31 - 2.9/3078=2, 2.9/3068=2 HB2 LYS 20 - HD3 LYS 73 OK 30 99 - 31 - 2.9/3079=2, 2.9/3069=2 HB3 LYS 20 - HD3 LYS 73 OK 30 99 - 31 - 2.9/3079=2, 2.9/3069=2 HB2 LYS 20 - HD3 LYS 43 OK 30 99 - 31 - 2.9/3069=2, 2.9/3079=2...(5) HB3 LYS 20 - HD3 LYS 43 OK 30 99 - 31 - 2.9/3069=2, 2.9/3079=2...(5) HB2 LYS 20 - HD2 LYS 43 OK 28 90 - 31 - 2.9/3069=2, 2.9/3079=2...(5) HB3 LYS 20 - HD2 LYS 43 OK 28 90 - 31 - 2.9/3069=2, 2.9/3079=2...(5) HB3 LYS 44 - HD3 LYS 96 OK 24 64 - 38 - 2.9/6107=2, 2.9/6117=1...(5) HB3 LYS 43 - HD3 LYS 20 OK 23 90 - 26 - 3.0/3817=2, 3.0/3847=1...(6) HB2 LYS 73 - HD3 LYS 20 OK 23 99 - 23 - 2.9/5170=2, 2.9/5177=1 HB3 LYS 44 - HD2 LYS 96 OK 23 60 - 38 - 2.9/6107=2, 2.9/6117=1...(5) HB3 LYS 43 - HD2 LYS 20 OK 23 89 - 26 - 3.0/3817=2, 3.0/3847=1...(6) HB2 LYS 73 - HD2 LYS 20 OK 23 99 - 23 - 2.9/5170=2, 2.9/5177=1 HB3 LYS 73 - HD3 LYS 20 OK 23 99 - 23 - 2.9/5170=2, 2.9/5177=1 HB3 LYS 73 - HD2 LYS 20 OK 23 99 - 23 - 2.9/5170=2, 2.9/5177=1 HB2 LYS 73 - HD3 LYS 43 OK 21 98 - 22 - 2.9/5170=2, 2.9/5177=1 HB3 LYS 73 - HD3 LYS 43 OK 21 98 - 22 - 2.9/5170=2, 2.9/5177=1 HB3 LYS 73 - HD2 LYS 43 OK 20 89 - 22 - 2.9/5170=2, 2.9/5187=1 HB2 LYS 73 - HD2 LYS 43 OK 20 87 - 23 - 2.9/5170=2, 2.9/5187=1 QE MET 67 - HG12 ILE 71 OK 19 77 - 25 - 9726/2.1=8, ~9782=4...(7) HB2 LYS 43 - HD3 LYS 20 OK 18 70 - 27 - 3.0/3817=2, 3.0/3847=1...(6) HB2 LYS 43 - HD2 LYS 20 OK 18 69 - 27 - 3.0/3817=2, 3.0/3847=1...(6) HB3 LYS 43 - HD2 LYS 73 OK 16 89 - 18 - 3.0/3847=1 HB3 LYS 43 - HD3 LYS 73 OK 16 88 - 18 - 3.0/3847=1 HB2 LYS 96 - HD2 LYS 73 OK 14 89 - 15 - 1.8/6097=2 HB2 LYS 96 - HD3 LYS 73 OK 13 88 - 15 - 1.8/6097=2 HB2 LYS 96 - HD3 LYS 20 OK 13 90 - 15 - 1.8/6097=2 HB2 LYS 96 - HD2 LYS 20 OK 13 89 - 15 - 1.8/6097=2 HB2 LYS 43 - HD2 LYS 73 OK 13 69 - 19 - 3.0/3847=1 HB2 LYS 43 - HD3 LYS 73 OK 13 68 - 19 - 3.0/3847=1 HB2 ARG 95 - HD3 LYS 96 OK 12 88 - 14 - 7789/5.7=3, 3.0/6020=2...(5) HB2 ARG 95 - HD2 LYS 96 OK 12 84 - 14 - 7789/5.7=3, 3.0/6020=2...(4) HB2 LYS 96 - HD3 LYS 43 OK 11 88 - 13 - 1.8/6097=1 HB3 LYS 20 - HD3 LYS 96 OK 10 94 - 11 - HB2 LYS 20 - HD3 LYS 96 OK 10 94 - 11 - HB2 LYS 96 - HD2 LYS 43 poor 10 76 - 13 - 1.8/6097=1 HB2 LYS 20 - HD2 LYS 96 poor 10 90 - 11 - HB3 LYS 20 - HD2 LYS 96 poor 10 90 - 11 - HG2 ARG 95 - HD3 LYS 96 poor 9 71 - 13 - 607/5.7=2, 11427/5.3=1...(5) HB2 LYS 73 - HD3 LYS 96 lone 9 91 - 10 - HB3 LYS 73 - HD3 LYS 96 lone 9 92 - 10 - HG2 ARG 95 - HD2 LYS 96 poor 9 67 - 13 - 607/5.7=2, 11427/5.3=1...(5) HB3 LYS 73 - HD2 LYS 96 lone 9 88 - 10 - HB2 LYS 73 - HD2 LYS 96 poor 9 87 - 10 - HB3 LYS 43 - HD3 LYS 96 poor 8 80 - 10 - HB3 LYS 43 - HD2 LYS 96 lone 8 76 - 10 - HB2 LYS 43 - HD3 LYS 96 poor 6 60 - 10 - HB ILE 71 - HD2 LYS 73 lone 6 98 - 6 - ~9773=1 HB ILE 71 - HD3 LYS 73 lone 6 97 - 6 - ~9773=1 HB3 LYS 16 - HD3 LYS 20 lone 6 94 - 6 - HB3 LYS 16 - HD2 LYS 20 lone 6 94 - 6 - HB3 LYS 44 - HD3 LYS 43 lone 6 71 - 8 - HB2 LYS 16 - HD3 LYS 20 lone 6 92 - 6 - HB2 LYS 16 - HD2 LYS 20 lone 6 92 - 6 - HB2 LYS 43 - HD2 LYS 96 lone 6 57 - 10 - HB3 LYS 44 - HD2 LYS 73 lone 6 73 - 8 - HB3 LYS 44 - HD3 LYS 73 lone 5 71 - 8 - HB2 LYS 16 - HD2 LYS 73 lone 5 91 - 6 - HB2 LYS 16 - HD3 LYS 73 lone 5 90 - 6 - HB3 LYS 16 - HD2 LYS 73 lone 5 93 - 6 - HB3 LYS 16 - HD3 LYS 73 lone 5 92 - 6 - HB3 LYS 44 - HD2 LYS 43 lone 5 60 - 9 - HB2 ARG 95 - HD3 LYS 20 lone 4 97 - 4 - HB2 ARG 95 - HD2 LYS 20 lone 4 97 - 4 - HB3 LYS 73 - HG12 ILE 71 lone 4 87 - 5 - 1467/4.6=1 HB2 LEU 45 - HD2 LYS 73 lone 4 80 - 5 - HB2 LYS 73 - HG12 ILE 71 lone 4 86 - 5 - 1467/4.6=1 HB2 LEU 45 - HD3 LYS 73 lone 4 79 - 5 - HG LEU 45 - HD2 LYS 73 lone 4 95 - 4 - HG LEU 45 - HD3 LYS 73 lone 4 94 - 4 - HG LEU 45 - HD3 LYS 20 lone 4 96 - 4 - HG LEU 45 - HD2 LYS 20 lone 4 95 - 4 - HG LEU 45 - HD3 LYS 96 lone 4 87 - 4 - HB2 LEU 45 - HD3 LYS 20 lone 3 81 - 4 - HB2 LEU 45 - HD2 LYS 20 lone 3 80 - 4 - HB2 ARG 95 - HD2 LYS 73 lone 3 96 - 3 - HB2 ARG 95 - HD3 LYS 73 lone 3 96 - 3 - HG LEU 45 - HD2 LYS 96 lone 3 82 - 4 - HB2 ARG 95 - HD3 LYS 43 lone 3 96 - 3 - HB2 LEU 45 - HD3 LYS 96 lone 3 71 - 4 - HG LEU 45 - HD3 LYS 43 lone 3 94 - 3 - HB3 LYS 44 - HD3 LYS 20 lone 2 73 - 3 - HB3 LYS 44 - HD2 LYS 20 lone 2 73 - 3 - HB2 ARG 95 - HD2 LYS 43 lone 2 85 - 3 - HG2 ARG 95 - HD3 LYS 20 lone 2 81 - 3 - HG2 ARG 95 - HD2 LYS 20 lone 2 80 - 3 - HB ILE 71 - HD3 LYS 96 lone 2 90 - 2 - HB2 LEU 45 - HD2 LYS 96 lone 2 67 - 3 - HB ILE 71 - HD2 LYS 96 lone 2 86 - 2 - HG LEU 45 - HD2 LYS 43 lone 2 83 - 2 - HB2 LEU 45 - HD3 LYS 43 lone 2 79 - 3 - HB2 LYS 96 - HG12 ILE 71 lone 2 75 - 3 - HB3 LYS 16 - HD3 LYS 43 lone 2 92 - 2 - HB2 LYS 16 - HD3 LYS 43 lone 2 90 - 2 - HG2 ARG 95 - HD3 LYS 43 lone 2 79 - 2 - HG2 ARG 95 - HD2 LYS 73 lone 2 80 - 2 - HB3 LYS 16 - HD2 LYS 43 lone 2 81 - 2 - HB2 LYS 16 - HD2 LYS 43 lone 1 78 - 2 - HG2 ARG 95 - HD3 LYS 73 lone 1 79 - 2 - HB ILE 71 - HD2 LYS 20 lone 1 98 - 1 - HB ILE 71 - HD3 LYS 20 lone 1 98 - 1 - HB3 LYS 16 - HD3 LYS 96 lone 1 85 - 2 - HB2 LEU 45 - HD2 LYS 43 lone 1 67 - 2 - HB2 LYS 16 - HD3 LYS 96 lone 1 82 - 2 - HB3 LYS 16 - HD2 LYS 96 lone 1 80 - 2 - HB2 LYS 16 - HD2 LYS 96 lone 1 78 - 2 - HG2 ARG 95 - HD2 LYS 43 lone 1 67 - 2 - HG LEU 45 - HG12 ILE 71 lone 1 82 - 2 - HB2 LEU 45 - HG12 ILE 71 lone 1 66 - 2 - HB2 GLU 128 - HD3 LYS 96 lone 1 80 - 1 - HB2 GLU 128 - HD2 LYS 96 lone 1 76 - 1 - HB3 LYS 20 - HG12 ILE 71 lone 1 89 - 1 - HB2 LYS 20 - HG12 ILE 71 lone 1 89 - 1 - HB3 LYS 44 - HG12 ILE 71 lone 1 59 - 1 - HB2 LYS 49 - HG12 ILE 71 lone 1 80 - 1 - HB ILE 7 - HD3 LYS 20 lone 1 100 - 1 - HB3 LYS 16 - HG12 ILE 71 lone 1 80 - 1 - HB ILE 7 - HD2 LYS 20 lone 1 100 - 1 - HB2 LYS 16 - HG12 ILE 71 lone 1 77 - 1 - HB ILE 71 - HD3 LYS 43 lone 1 97 - 1 - HB ILE 7 - HD3 LYS 43 lone 1 99 - 1 - HB ILE 7 - HD2 LYS 43 lone 1 90 - 1 - HB2 ARG 95 - HG12 ILE 71 lone 1 83 - 1 - HB ILE 71 - HD2 LYS 43 lone 0 86 - 1 - HB ILE 7 - HD3 LYS 73 lone 0 99 - 0 - HB ILE 7 - HD2 LYS 73 lone 0 100 - 0 - HB3 ARG 118 - HD2 LYS 20 lone 0 61 - 1 - HB3 ARG 118 - HD3 LYS 20 lone 0 61 - 1 - HB ILE 7 - HD3 LYS 96 lone 0 93 - 0 - HB ILE 7 - HD2 LYS 96 lone 0 90 - 0 - HB ILE 7 - HG12 ILE 71 lone 0 89 - 0 - QE MET 67 - HD3 LYS 20 lone 0 92 - 0 - QE MET 67 - HD2 LYS 20 lone 0 92 - 0 - QE MET 67 - HD3 LYS 96 lone 0 82 - 0 - HB2 LYS 49 - HD2 LYS 20 lone 0 94 - 0 - HB2 LYS 49 - HD3 LYS 20 lone 0 94 - 0 - QE MET 67 - HD2 LYS 96 lone 0 78 - 0 - HB3 LYS 43 - HG12 ILE 71 lone 0 75 - 0 - QE MET 67 - HD2 LYS 73 lone 0 91 - 0 - QE MET 67 - HD3 LYS 73 lone 0 90 - 0 - HB2 LYS 49 - HD3 LYS 96 lone 0 85 - 0 - HB2 LYS 49 - HD2 LYS 96 lone 0 80 - 0 - HB2 GLU 128 - HD2 LYS 73 lone 0 89 - 0 - HB2 GLU 128 - HD3 LYS 20 lone 0 90 - 0 - HB2 GLU 128 - HD2 LYS 20 lone 0 89 - 0 - HB2 GLU 128 - HD3 LYS 73 lone 0 88 - 0 - HB2 LEU 63 - HD3 LYS 96 lone 0 53 - 1 - HB2 GLU 128 - HG12 ILE 71 lone 0 75 - 0 - HB2 LYS 49 - HD2 LYS 73 lone 0 93 - 0 - HB2 LYS 49 - HD3 LYS 73 lone 0 92 - 0 - QE MET 67 - HD3 LYS 43 lone 0 90 - 0 - HB2 LEU 63 - HD2 LYS 96 lone 0 50 - 1 - HB2 GLU 128 - HD3 LYS 43 lone 0 88 - 0 - HB2 LYS 49 - HD3 LYS 43 lone 0 92 - 0 - HG2 ARG 95 - HG12 ILE 71 lone 0 66 - 0 - HB2 LYS 43 - HG12 ILE 71 lone 0 56 - 0 - HB2 LEU 63 - HG12 ILE 71 lone 0 49 - 1 - HB2 LEU 63 - HD3 LYS 20 lone 0 61 - 0 - HB2 LEU 63 - HD2 LYS 20 lone 0 61 - 0 - HB2 LYS 49 - HD2 LYS 43 lone 0 81 - 0 - HB3 ARG 118 - HD2 LYS 73 lone 0 61 - 0 - HB2 GLU 128 - HD2 LYS 43 lone 0 76 - 0 - HB3 ARG 118 - HD3 LYS 73 lone 0 60 - 0 - QE MET 67 - HD2 LYS 43 lone 0 78 - 0 - HB2 LEU 63 - HD2 LYS 73 lone 0 61 - 0 - HB2 LEU 63 - HD3 LYS 73 lone 0 60 - 0 - HB2 LEU 63 - HD3 LYS 43 lone 0 60 - 0 - HB3 ARG 118 - HD3 LYS 43 lone 0 60 - 0 - HB3 ARG 118 - HG12 ILE 71 lone 0 49 - 0 - HB3 ARG 118 - HD3 LYS 96 lone 0 53 - 0 - HB2 LEU 63 - HD2 LYS 43 lone 0 50 - 0 - HB3 ARG 118 - HD2 LYS 96 lone 0 50 - 0 - HB3 ARG 118 - HD2 LYS 43 lone 0 50 - 0 - Peak 3095 from cnoeabs.peaks (1.89, 1.69, 28.78 ppm; 2.72 A): 14 out of 189 assignments used, quality = 1.00: HB2 LYS 20 + HD2 LYS 20 OK 82 100 - 82 - 3.4=49, 2.9/3078=6...(39) HB3 LYS 20 + HD2 LYS 20 OK 82 100 - 82 - 3.4=49, 2.9/3078=6...(39) HB2 LYS 20 + HD3 LYS 20 OK 82 100 - 82 - 3.4=49, 2.9/3078=6...(38) * HB3 LYS 20 + HD3 LYS 20 OK 82 100 - 82 - 3.4=49, 2.9/3078=6...(38) HB3 LYS 73 + HD2 LYS 73 OK 74 99 - 75 - 3.8=35, 2.9/5170=7...(35) HB2 LYS 73 + HD2 LYS 73 OK 74 98 - 75 - 3.8=35, 2.9/5170=7...(35) HB3 LYS 73 + HD3 LYS 73 OK 74 98 - 75 - 3.8=35, 2.9/5170=7...(35) HB2 LYS 73 + HD3 LYS 73 OK 73 98 - 75 - 3.8=35, 2.9/5170=7...(35) HB ILE 71 + HG12 ILE 71 OK 68 85 - 80 - 3.0=73, ~5089=9, ~5107=7...(6) HB2 LYS 96 + HD3 LYS 96 OK 66 80 - 83 - 3.4=49, 1.8/6097=8...(38) HB2 LYS 96 + HD2 LYS 96 OK 63 76 - 83 - 3.4=49, 1.8/6097=8...(39) HB3 LYS 43 + HD3 LYS 43 OK 62 88 - 71 - 3.8=35, 3.0/3847=6...(28) HB3 LYS 43 + HD2 LYS 43 OK 54 76 - 72 - 3.8=35, 3.0/3847=6...(31) HB2 LYS 43 + HD3 LYS 43 OK 48 68 - 72 - 3.8=35, 3.0/3847=6...(28) HB2 LYS 43 - HD2 LYS 43 OK 41 57 - 72 - 3.8=35, 3.0/3847=6...(31) HB3 LYS 20 - HD2 LYS 73 OK 31 100 - 31 - 2.9/3078=2, 2.9/3068=2 HB2 LYS 20 - HD2 LYS 73 OK 31 100 - 31 - 2.9/3078=2, 2.9/3068=2 HB2 LYS 20 - HD3 LYS 73 OK 30 99 - 31 - 2.9/3079=2, 2.9/3069=2 HB3 LYS 20 - HD3 LYS 73 OK 30 99 - 31 - 2.9/3079=2, 2.9/3069=2 HB2 LYS 20 - HD3 LYS 43 OK 30 99 - 31 - 2.9/3069=2, 2.9/3079=2...(5) HB3 LYS 20 - HD3 LYS 43 OK 30 99 - 31 - 2.9/3069=2, 2.9/3079=2...(5) HB2 LYS 20 - HD2 LYS 43 OK 28 90 - 31 - 2.9/3069=2, 2.9/3079=2...(5) HB3 LYS 20 - HD2 LYS 43 OK 28 90 - 31 - 2.9/3069=2, 2.9/3079=2...(5) HB3 LYS 44 - HD3 LYS 96 OK 24 64 - 38 - 2.9/6107=2, 2.9/6117=1...(5) HB3 LYS 43 - HD3 LYS 20 OK 23 90 - 26 - 3.0/3817=2, 3.0/3847=1...(6) HB2 LYS 73 - HD3 LYS 20 OK 23 99 - 23 - 2.9/5170=2, 2.9/5177=1 HB3 LYS 44 - HD2 LYS 96 OK 23 60 - 38 - 2.9/6107=2, 2.9/6117=1...(5) HB3 LYS 43 - HD2 LYS 20 OK 23 89 - 26 - 3.0/3817=2, 3.0/3847=1...(6) HB2 LYS 73 - HD2 LYS 20 OK 23 99 - 23 - 2.9/5170=2, 2.9/5177=1 HB3 LYS 73 - HD3 LYS 20 OK 23 99 - 23 - 2.9/5170=2, 2.9/5177=1 HB3 LYS 73 - HD2 LYS 20 OK 23 99 - 23 - 2.9/5170=2, 2.9/5177=1 HB2 LYS 73 - HD3 LYS 43 OK 21 98 - 22 - 2.9/5170=2, 2.9/5177=1 HB3 LYS 73 - HD3 LYS 43 OK 21 98 - 22 - 2.9/5170=2, 2.9/5177=1 HB3 LYS 73 - HD2 LYS 43 OK 20 89 - 22 - 2.9/5170=2, 2.9/5187=1 HB2 LYS 73 - HD2 LYS 43 OK 20 87 - 23 - 2.9/5170=2, 2.9/5187=1 QE MET 67 - HG12 ILE 71 OK 19 77 - 25 - 9726/2.1=8, ~9782=4...(7) HB2 LYS 43 - HD3 LYS 20 OK 18 70 - 27 - 3.0/3817=2, 3.0/3847=1...(6) HB2 LYS 43 - HD2 LYS 20 OK 18 69 - 27 - 3.0/3817=2, 3.0/3847=1...(6) HB3 LYS 43 - HD2 LYS 73 OK 16 89 - 18 - 3.0/3847=1 HB3 LYS 43 - HD3 LYS 73 OK 16 88 - 18 - 3.0/3847=1 HB2 LYS 96 - HD2 LYS 73 OK 14 89 - 15 - 1.8/6097=2 HB2 LYS 96 - HD3 LYS 73 OK 13 88 - 15 - 1.8/6097=2 HB2 LYS 96 - HD3 LYS 20 OK 13 90 - 15 - 1.8/6097=2 HB2 LYS 96 - HD2 LYS 20 OK 13 89 - 15 - 1.8/6097=2 HB2 LYS 43 - HD2 LYS 73 OK 13 69 - 19 - 3.0/3847=1 HB2 LYS 43 - HD3 LYS 73 OK 13 68 - 19 - 3.0/3847=1 HB2 ARG 95 - HD3 LYS 96 OK 12 88 - 14 - 7789/5.7=3, 3.0/6020=2...(5) HB2 ARG 95 - HD2 LYS 96 OK 12 84 - 14 - 7789/5.7=3, 3.0/6020=2...(4) HB2 LYS 96 - HD3 LYS 43 OK 11 88 - 13 - 1.8/6097=1 HB3 LYS 20 - HD3 LYS 96 OK 10 94 - 11 - HB2 LYS 20 - HD3 LYS 96 OK 10 94 - 11 - HB2 LYS 96 - HD2 LYS 43 poor 10 76 - 13 - 1.8/6097=1 HB2 LYS 20 - HD2 LYS 96 poor 10 90 - 11 - HB3 LYS 20 - HD2 LYS 96 poor 10 90 - 11 - HG2 ARG 95 - HD3 LYS 96 poor 9 71 - 13 - 607/5.7=2, 11427/5.3=1...(5) HB2 LYS 73 - HD3 LYS 96 lone 9 91 - 10 - HB3 LYS 73 - HD3 LYS 96 lone 9 92 - 10 - HG2 ARG 95 - HD2 LYS 96 poor 9 67 - 13 - 607/5.7=2, 11427/5.3=1...(5) HB3 LYS 73 - HD2 LYS 96 lone 9 88 - 10 - HB2 LYS 73 - HD2 LYS 96 poor 9 87 - 10 - HB3 LYS 43 - HD3 LYS 96 poor 8 80 - 10 - HB3 LYS 43 - HD2 LYS 96 lone 8 76 - 10 - HB2 LYS 43 - HD3 LYS 96 poor 6 60 - 10 - HB ILE 71 - HD2 LYS 73 lone 6 98 - 6 - ~9773=1 HB ILE 71 - HD3 LYS 73 lone 6 97 - 6 - ~9773=1 HB3 LYS 16 - HD3 LYS 20 lone 6 94 - 6 - HB3 LYS 16 - HD2 LYS 20 lone 6 94 - 6 - HB3 LYS 44 - HD3 LYS 43 lone 6 71 - 8 - HB2 LYS 16 - HD3 LYS 20 lone 6 92 - 6 - HB2 LYS 16 - HD2 LYS 20 lone 6 92 - 6 - HB2 LYS 43 - HD2 LYS 96 lone 6 57 - 10 - HB3 LYS 44 - HD2 LYS 73 lone 6 73 - 8 - HB3 LYS 44 - HD3 LYS 73 lone 5 71 - 8 - HB2 LYS 16 - HD2 LYS 73 lone 5 91 - 6 - HB2 LYS 16 - HD3 LYS 73 lone 5 90 - 6 - HB3 LYS 16 - HD2 LYS 73 lone 5 93 - 6 - HB3 LYS 16 - HD3 LYS 73 lone 5 92 - 6 - HB3 LYS 44 - HD2 LYS 43 lone 5 60 - 9 - HB2 ARG 95 - HD3 LYS 20 lone 4 97 - 4 - HB2 ARG 95 - HD2 LYS 20 lone 4 97 - 4 - HB3 LYS 73 - HG12 ILE 71 lone 4 87 - 5 - 1467/4.6=1 HB2 LEU 45 - HD2 LYS 73 lone 4 80 - 5 - HB2 LYS 73 - HG12 ILE 71 lone 4 86 - 5 - 1467/4.6=1 HB2 LEU 45 - HD3 LYS 73 lone 4 79 - 5 - HG LEU 45 - HD2 LYS 73 lone 4 95 - 4 - HG LEU 45 - HD3 LYS 73 lone 4 94 - 4 - HG LEU 45 - HD3 LYS 20 lone 4 96 - 4 - HG LEU 45 - HD2 LYS 20 lone 4 95 - 4 - HG LEU 45 - HD3 LYS 96 lone 4 87 - 4 - HB2 LEU 45 - HD3 LYS 20 lone 3 81 - 4 - HB2 LEU 45 - HD2 LYS 20 lone 3 80 - 4 - HB2 ARG 95 - HD2 LYS 73 lone 3 96 - 3 - HB2 ARG 95 - HD3 LYS 73 lone 3 96 - 3 - HG LEU 45 - HD2 LYS 96 lone 3 82 - 4 - HB2 ARG 95 - HD3 LYS 43 lone 3 96 - 3 - HB2 LEU 45 - HD3 LYS 96 lone 3 71 - 4 - HG LEU 45 - HD3 LYS 43 lone 3 94 - 3 - HB3 LYS 44 - HD3 LYS 20 lone 2 73 - 3 - HB3 LYS 44 - HD2 LYS 20 lone 2 73 - 3 - HB2 ARG 95 - HD2 LYS 43 lone 2 85 - 3 - HG2 ARG 95 - HD3 LYS 20 lone 2 81 - 3 - HG2 ARG 95 - HD2 LYS 20 lone 2 80 - 3 - HB ILE 71 - HD3 LYS 96 lone 2 90 - 2 - HB2 LEU 45 - HD2 LYS 96 lone 2 67 - 3 - HB ILE 71 - HD2 LYS 96 lone 2 86 - 2 - HG LEU 45 - HD2 LYS 43 lone 2 83 - 2 - HB2 LEU 45 - HD3 LYS 43 lone 2 79 - 3 - HB2 LYS 96 - HG12 ILE 71 lone 2 75 - 3 - HB3 LYS 16 - HD3 LYS 43 lone 2 92 - 2 - HB2 LYS 16 - HD3 LYS 43 lone 2 90 - 2 - HG2 ARG 95 - HD3 LYS 43 lone 2 79 - 2 - HG2 ARG 95 - HD2 LYS 73 lone 2 80 - 2 - HB3 LYS 16 - HD2 LYS 43 lone 2 81 - 2 - HB2 LYS 16 - HD2 LYS 43 lone 1 78 - 2 - HG2 ARG 95 - HD3 LYS 73 lone 1 79 - 2 - HB ILE 71 - HD2 LYS 20 lone 1 98 - 1 - HB ILE 71 - HD3 LYS 20 lone 1 98 - 1 - HB3 LYS 16 - HD3 LYS 96 lone 1 85 - 2 - HB2 LEU 45 - HD2 LYS 43 lone 1 67 - 2 - HB2 LYS 16 - HD3 LYS 96 lone 1 82 - 2 - HB3 LYS 16 - HD2 LYS 96 lone 1 80 - 2 - HB2 LYS 16 - HD2 LYS 96 lone 1 78 - 2 - HG2 ARG 95 - HD2 LYS 43 lone 1 67 - 2 - HG LEU 45 - HG12 ILE 71 lone 1 82 - 2 - HB2 LEU 45 - HG12 ILE 71 lone 1 66 - 2 - HB2 GLU 128 - HD3 LYS 96 lone 1 80 - 1 - HB2 GLU 128 - HD2 LYS 96 lone 1 76 - 1 - HB3 LYS 20 - HG12 ILE 71 lone 1 89 - 1 - HB2 LYS 20 - HG12 ILE 71 lone 1 89 - 1 - HB3 LYS 44 - HG12 ILE 71 lone 1 59 - 1 - HB2 LYS 49 - HG12 ILE 71 lone 1 80 - 1 - HB ILE 7 - HD3 LYS 20 lone 1 100 - 1 - HB3 LYS 16 - HG12 ILE 71 lone 1 80 - 1 - HB ILE 7 - HD2 LYS 20 lone 1 100 - 1 - HB2 LYS 16 - HG12 ILE 71 lone 1 77 - 1 - HB ILE 71 - HD3 LYS 43 lone 1 97 - 1 - HB ILE 7 - HD3 LYS 43 lone 1 99 - 1 - HB ILE 7 - HD2 LYS 43 lone 1 90 - 1 - HB2 ARG 95 - HG12 ILE 71 lone 1 83 - 1 - HB ILE 71 - HD2 LYS 43 lone 0 86 - 1 - HB ILE 7 - HD3 LYS 73 lone 0 99 - 0 - HB ILE 7 - HD2 LYS 73 lone 0 100 - 0 - HB3 ARG 118 - HD2 LYS 20 lone 0 61 - 1 - HB3 ARG 118 - HD3 LYS 20 lone 0 61 - 1 - HB ILE 7 - HD3 LYS 96 lone 0 93 - 0 - HB ILE 7 - HD2 LYS 96 lone 0 90 - 0 - HB ILE 7 - HG12 ILE 71 lone 0 89 - 0 - QE MET 67 - HD3 LYS 20 lone 0 92 - 0 - QE MET 67 - HD2 LYS 20 lone 0 92 - 0 - QE MET 67 - HD3 LYS 96 lone 0 82 - 0 - HB2 LYS 49 - HD2 LYS 20 lone 0 94 - 0 - HB2 LYS 49 - HD3 LYS 20 lone 0 94 - 0 - QE MET 67 - HD2 LYS 96 lone 0 78 - 0 - HB3 LYS 43 - HG12 ILE 71 lone 0 75 - 0 - QE MET 67 - HD2 LYS 73 lone 0 91 - 0 - QE MET 67 - HD3 LYS 73 lone 0 90 - 0 - HB2 LYS 49 - HD3 LYS 96 lone 0 85 - 0 - HB2 LYS 49 - HD2 LYS 96 lone 0 80 - 0 - HB2 GLU 128 - HD2 LYS 73 lone 0 89 - 0 - HB2 GLU 128 - HD3 LYS 20 lone 0 90 - 0 - HB2 GLU 128 - HD2 LYS 20 lone 0 89 - 0 - HB2 GLU 128 - HD3 LYS 73 lone 0 88 - 0 - HB2 LEU 63 - HD3 LYS 96 lone 0 53 - 1 - HB2 GLU 128 - HG12 ILE 71 lone 0 75 - 0 - HB2 LYS 49 - HD2 LYS 73 lone 0 93 - 0 - HB2 LYS 49 - HD3 LYS 73 lone 0 92 - 0 - QE MET 67 - HD3 LYS 43 lone 0 90 - 0 - HB2 LEU 63 - HD2 LYS 96 lone 0 50 - 1 - HB2 GLU 128 - HD3 LYS 43 lone 0 88 - 0 - HB2 LYS 49 - HD3 LYS 43 lone 0 92 - 0 - HG2 ARG 95 - HG12 ILE 71 lone 0 66 - 0 - HB2 LYS 43 - HG12 ILE 71 lone 0 56 - 0 - HB2 LEU 63 - HG12 ILE 71 lone 0 49 - 1 - HB2 LEU 63 - HD3 LYS 20 lone 0 61 - 0 - HB2 LEU 63 - HD2 LYS 20 lone 0 61 - 0 - HB2 LYS 49 - HD2 LYS 43 lone 0 81 - 0 - HB3 ARG 118 - HD2 LYS 73 lone 0 61 - 0 - HB2 GLU 128 - HD2 LYS 43 lone 0 76 - 0 - HB3 ARG 118 - HD3 LYS 73 lone 0 60 - 0 - QE MET 67 - HD2 LYS 43 lone 0 78 - 0 - HB2 LEU 63 - HD2 LYS 73 lone 0 61 - 0 - HB2 LEU 63 - HD3 LYS 73 lone 0 60 - 0 - HB2 LEU 63 - HD3 LYS 43 lone 0 60 - 0 - HB3 ARG 118 - HD3 LYS 43 lone 0 60 - 0 - HB3 ARG 118 - HG12 ILE 71 lone 0 49 - 0 - HB3 ARG 118 - HD3 LYS 96 lone 0 53 - 0 - HB2 LEU 63 - HD2 LYS 43 lone 0 50 - 0 - HB3 ARG 118 - HD2 LYS 96 lone 0 50 - 0 - HB3 ARG 118 - HD2 LYS 43 lone 0 50 - 0 - Peak 3096 from cnoeabs.peaks (1.51, 1.69, 28.78 ppm; 2.40 A): 4 out of 99 assignments used, quality = 0.99: HG2 LYS 20 + HD2 LYS 20 OK 75 100 - 75 - 3.0=54, 1.8/3078=7...(13) * HG2 LYS 20 + HD3 LYS 20 OK 75 100 - 75 - 3.0=54, 1.8/3078=7...(13) HG2 LYS 43 + HD3 LYS 43 OK 72 96 - 75 - 2.9=56, 3846/1.8=8...(16) HG2 LYS 43 + HD2 LYS 43 OK 64 85 - 75 - 2.9=56, 3846/1.8=7...(16) HG2 LYS 20 - HD3 LYS 43 OK 24 99 - 24 - 3069=4, 3069/1.8=2...(6) HG2 LYS 20 - HD2 LYS 43 OK 21 90 - 24 - 3069=3, 3069/1.8=2...(8) HG2 LYS 20 - HD2 LYS 73 OK 21 100 - 21 - 3068=3, 1.8/3078=2...(5) HG2 LYS 20 - HD3 LYS 73 OK 21 99 - 21 - 3069=3, 1.8/3079=2...(5) HG2 LYS 43 - HD3 LYS 20 OK 16 97 - 17 - 3847=2, 3847/1.8=2, 3841/5.3=1 HG2 LYS 43 - HD2 LYS 20 OK 16 97 - 17 - 3847=2, 3847/1.8=2, 3841/5.3=1 HG2 LYS 43 - HD2 LYS 73 OK 15 96 - 15 - 3847=2, 3846/1.8=2 HG2 LYS 43 - HD3 LYS 73 OK 15 96 - 15 - 3847=2, 3846/1.8=2 HG2 LYS 20 - HD3 LYS 96 lone 7 94 - 7 - 3069=1 HG2 LYS 20 - HD2 LYS 96 lone 7 90 - 7 - 3069=1 HG2 LYS 43 - HD3 LYS 96 lone 6 88 - 7 - HG2 LYS 43 - HD2 LYS 96 lone 6 84 - 7 - 3847=1 QB ALA 124 - HG12 ILE 71 lone 4 89 - 5 - HG2 ARG 30 - HG12 ILE 71 lone 4 80 - 5 - 10927/2.1=1 HB3 ARG 30 - HG12 ILE 71 lone 3 82 - 3 - HD3 LYS 17 - HD3 LYS 20 lone 2 90 - 3 - HD3 LYS 17 - HD2 LYS 20 lone 2 89 - 3 - HB3 LEU 14 - HD2 LYS 20 lone 2 95 - 2 - HB3 LEU 14 - HD3 LYS 20 lone 2 96 - 2 - HD3 LYS 17 - HG12 ILE 71 lone 2 75 - 2 - QB ALA 124 - HD2 LYS 73 lone 1 100 - 1 - QB ALA 124 - HD3 LYS 73 lone 1 99 - 1 - QB ALA 124 - HD3 LYS 20 lone 1 100 - 1 - QB ALA 124 - HD2 LYS 20 lone 1 100 - 1 - QB ALA 124 - HD3 LYS 43 lone 1 99 - 1 - HB2 LEU 6 - HD3 LYS 20 lone 1 100 - 1 - HB2 LEU 6 - HD2 LYS 20 lone 1 100 - 1 - QB ALA 124 - HD2 LYS 43 lone 1 90 - 1 - HB2 LEU 6 - HD3 LYS 43 lone 1 99 - 1 - HB2 LEU 6 - HD2 LYS 43 lone 1 90 - 1 - HD3 LYS 17 - HD3 LYS 43 lone 1 88 - 1 - HB3 LEU 14 - HD3 LYS 43 lone 1 94 - 1 - HB2 LEU 6 - HD2 LYS 73 lone 1 100 - 1 - HB2 LEU 6 - HD3 LYS 73 lone 1 99 - 1 - HD3 LYS 17 - HD2 LYS 43 lone 1 76 - 1 - HB3 LEU 14 - HD2 LYS 43 lone 1 83 - 1 - QB ALA 124 - HD3 LYS 96 lone 1 93 - 1 - QB ALA 124 - HD2 LYS 96 lone 1 90 - 1 - HB2 LEU 6 - HD3 LYS 96 lone 1 93 - 1 - HB2 LEU 6 - HD2 LYS 96 lone 0 90 - 1 - HG LEU 6 - HD3 LYS 20 lone 0 81 - 1 - HD3 LYS 17 - HD3 LYS 96 lone 0 80 - 1 - HG LEU 6 - HD2 LYS 20 lone 0 80 - 1 - HG LEU 38 - HD3 LYS 43 lone 0 75 - 1 - HD3 LYS 17 - HD2 LYS 96 lone 0 76 - 1 - HB2 LEU 6 - HG12 ILE 71 lone 0 89 - 1 - HG2 LYS 20 - HG12 ILE 71 lone 0 89 - 0 - HG LEU 6 - HD3 LYS 43 lone 0 79 - 1 - HD3 LYS 17 - HD2 LYS 73 lone 0 89 - 0 - HD3 LYS 17 - HD3 LYS 73 lone 0 88 - 0 - HG LEU 38 - HD2 LYS 43 lone 0 64 - 1 - HG LEU 6 - HD2 LYS 43 lone 0 67 - 1 - HG LEU 38 - HD3 LYS 20 lone 0 77 - 0 - HG LEU 38 - HD2 LYS 20 lone 0 77 - 0 - HG LEU 38 - HD3 LYS 96 lone 0 68 - 0 - HG LEU 38 - HD2 LYS 96 lone 0 63 - 0 - HG LEU 6 - HD2 LYS 73 lone 0 80 - 0 - HG LEU 6 - HD3 LYS 73 lone 0 79 - 0 - HG LEU 6 - HD3 LYS 96 lone 0 71 - 0 - HB3 LEU 14 - HD2 LYS 73 lone 0 95 - 0 - HB3 LEU 14 - HD3 LYS 73 lone 0 94 - 0 - HB3 ARG 30 - HD3 LYS 20 lone 0 96 - 0 - HG2 ARG 30 - HD3 LYS 96 lone 0 85 - 0 - HG2 ARG 30 - HD3 LYS 20 lone 0 94 - 0 - HB3 ARG 30 - HD2 LYS 20 lone 0 95 - 0 - HG2 ARG 30 - HD2 LYS 20 lone 0 94 - 0 - HG LEU 6 - HD2 LYS 96 lone 0 67 - 0 - HB3 LEU 14 - HG12 ILE 71 lone 0 82 - 0 - HB3 ARG 30 - HD3 LYS 43 lone 0 94 - 0 - HG2 ARG 30 - HD2 LYS 96 lone 0 80 - 0 - HG2 ARG 30 - HD3 LYS 43 lone 0 92 - 0 - HB2 LYS 61 - HD3 LYS 20 lone 0 90 - 0 - HB2 LYS 61 - HD2 LYS 20 lone 0 89 - 0 - HG LEU 38 - HG12 ILE 71 lone 0 63 - 0 - HB2 LYS 61 - HD3 LYS 43 lone 0 88 - 0 - HG LEU 38 - HD2 LYS 73 lone 0 76 - 0 - HB3 ARG 30 - HD2 LYS 43 lone 0 83 - 0 - HG LEU 38 - HD3 LYS 73 lone 0 75 - 0 - HG LEU 6 - HG12 ILE 71 lone 0 66 - 0 - HG2 ARG 30 - HD2 LYS 73 lone 0 93 - 0 - HG2 ARG 30 - HD3 LYS 73 lone 0 92 - 0 - HG2 LYS 43 - HG12 ILE 71 lone 0 83 - 0 - HG2 ARG 30 - HD2 LYS 43 lone 0 81 - 0 - HB3 ARG 30 - HD2 LYS 73 lone 0 95 - 0 - HB3 ARG 30 - HD3 LYS 73 lone 0 94 - 0 - HB3 ARG 30 - HD3 LYS 96 lone 0 87 - 0 - HB2 LYS 61 - HD2 LYS 43 lone 0 76 - 0 - HB3 LEU 14 - HD3 LYS 96 lone 0 87 - 0 - HB3 ARG 30 - HD2 LYS 96 lone 0 82 - 0 - HB2 LYS 61 - HD2 LYS 73 lone 0 89 - 0 - HB3 LEU 14 - HD2 LYS 96 lone 0 82 - 0 - HB2 LYS 61 - HD3 LYS 73 lone 0 88 - 0 - HB2 LYS 61 - HD3 LYS 96 lone 0 80 - 0 - HB2 LYS 61 - HG12 ILE 71 lone 0 75 - 0 - HB2 LYS 61 - HD2 LYS 96 lone 0 76 - 0 - Peak 3097 from cnoeabs.peaks (1.48, 1.69, 28.78 ppm; 2.40 A): 4 out of 126 assignments used, quality = 1.00: HG3 LYS 73 + HD2 LYS 73 OK 77 100 - 77 - 3.0=53, 5170/1.8=8...(19) HG3 LYS 73 + HD3 LYS 73 OK 77 99 - 77 - 3.0=53, 5170/1.8=8...(19) * HG3 LYS 20 + HD3 LYS 20 OK 75 100 - 75 - 3.0=54, 3078/1.8=7...(15) HG3 LYS 20 + HD2 LYS 20 OK 75 100 - 75 - 3.0=54, 3078/1.8=7...(15) HG3 LYS 20 - HD3 LYS 43 OK 22 99 - 22 - 3079=3, 1.8/3069=2...(8) HG3 LYS 20 - HD2 LYS 73 OK 22 100 - 22 - 3078=3, 3079/1.8=2...(4) HG3 LYS 20 - HD3 LYS 73 OK 22 99 - 22 - 3079=3, 3078/1.8=2...(4) HG3 LYS 20 - HD2 LYS 43 OK 20 90 - 22 - 3079=3, 1.8/3069=2...(8) HG3 LYS 73 - HD3 LYS 20 OK 20 100 - 20 - 5170=3, 5170/1.8=2, 1.8/5177=2 HG3 LYS 73 - HD2 LYS 20 OK 20 100 - 20 - 5170=3, 5170/1.8=2, 1.8/5177=2 HG3 LYS 73 - HD3 LYS 43 OK 19 99 - 19 - 5170=3, 5170/1.8=2...(5) HG3 LYS 73 - HD2 LYS 43 OK 17 90 - 20 - 5170=3, 5170/1.8=2...(5) HG3 LYS 73 - HD3 LYS 96 lone 8 93 - 9 - 5170=1 HG3 LYS 73 - HD2 LYS 96 lone 8 90 - 9 - 5170=1 HG3 LYS 20 - HD3 LYS 96 lone 7 94 - 7 - 3079=1 HG3 LYS 20 - HD2 LYS 96 lone 7 90 - 7 - 3079=1 HB2 LEU 74 - HG12 ILE 71 lone 6 77 - 7 - 9789/3.2=3, 11275/3.9=2 HB3 LEU 45 - HD2 LYS 73 lone 3 91 - 3 - HB3 LEU 45 - HD3 LYS 73 lone 3 90 - 3 - HB3 LEU 45 - HD2 LYS 20 lone 3 92 - 3 - HB3 LEU 45 - HD3 LYS 20 lone 3 92 - 3 - HG3 LYS 73 - HG12 ILE 71 lone 3 89 - 3 - HG2 LYS 39 - HD3 LYS 96 lone 2 53 - 4 - HB3 LEU 45 - HD3 LYS 96 lone 2 82 - 2 - HG2 LYS 39 - HD2 LYS 96 lone 2 50 - 4 - HB2 LEU 74 - HD2 LYS 73 lone 2 91 - 2 - HB2 LEU 74 - HD3 LYS 73 lone 2 90 - 2 - HB3 LEU 45 - HD2 LYS 96 lone 2 78 - 2 - HB3 LEU 45 - HD3 LYS 43 lone 1 90 - 1 - HG2 LYS 39 - HD3 LYS 43 lone 1 60 - 2 - HB3 LEU 45 - HD2 LYS 43 lone 1 78 - 1 - HG3 ARG 118 - HD2 LYS 20 lone 1 97 - 1 - HG3 ARG 118 - HD3 LYS 20 lone 1 97 - 1 - HG2 LYS 39 - HD2 LYS 43 lone 1 50 - 2 - HG2 LYS 39 - HD2 LYS 73 lone 1 61 - 1 - HG2 LYS 39 - HD3 LYS 73 lone 1 60 - 1 - HB3 LEU 45 - HG12 ILE 71 lone 1 77 - 1 - HG2 LYS 39 - HD3 LYS 20 lone 1 61 - 1 - HG2 LYS 39 - HD2 LYS 20 lone 1 61 - 1 - HB3 LEU 6 - HD3 LYS 20 lone 1 65 - 1 - HB3 LEU 6 - HD2 LYS 20 lone 1 65 - 1 - HG3 LYS 49 - HG12 ILE 71 lone 1 52 - 1 - HG2 LYS 49 - HG12 ILE 71 lone 1 52 - 1 - HB3 LEU 38 - HD3 LYS 20 lone 1 77 - 1 - HB3 LEU 38 - HD2 LYS 20 lone 1 77 - 1 - HG3 LYS 20 - HG12 ILE 71 lone 1 89 - 1 - HB2 LEU 74 - HD3 LYS 20 lone 1 92 - 1 - HB2 LEU 74 - HD2 LYS 20 lone 1 92 - 1 - HB3 LEU 38 - HD3 LYS 96 lone 1 68 - 1 - HB3 LEU 38 - HD2 LYS 96 lone 0 63 - 1 - HB3 LEU 6 - HD3 LYS 43 lone 0 64 - 1 - HG12 ILE 57 - HD3 LYS 20 lone 0 73 - 1 - HG12 ILE 57 - HD2 LYS 20 lone 0 73 - 1 - HB3 LEU 6 - HD2 LYS 43 lone 0 53 - 1 - HG3 ARG 118 - HD2 LYS 73 lone 0 96 - 0 - HB3 LEU 6 - HD2 LYS 73 lone 0 65 - 1 - HB3 LEU 6 - HD3 LYS 73 lone 0 64 - 1 - HG3 ARG 118 - HD3 LYS 73 lone 0 96 - 0 - HG2 LYS 106 - HD3 LYS 20 lone 0 73 - 0 - HB3 LEU 38 - HG12 ILE 71 lone 0 63 - 1 - HG2 LYS 106 - HD2 LYS 20 lone 0 73 - 0 - HB2 LEU 74 - HD3 LYS 43 lone 0 90 - 0 - HG2 LYS 39 - HG12 ILE 71 lone 0 49 - 1 - HB3 LEU 38 - HD3 LYS 43 lone 0 75 - 0 - HB3 LEU 38 - HD2 LYS 73 lone 0 76 - 0 - HB3 LEU 38 - HD3 LYS 73 lone 0 75 - 0 - HG2 LYS 106 - HG12 ILE 71 lone 0 59 - 0 - HG3 LYS 49 - HD3 LYS 20 lone 0 65 - 0 - HG2 LYS 49 - HD3 LYS 20 lone 0 65 - 0 - HD2 LYS 53 - HG12 ILE 71 lone 0 87 - 0 - HG3 LYS 49 - HD2 LYS 20 lone 0 65 - 0 - HG2 LYS 49 - HD2 LYS 20 lone 0 65 - 0 - HG12 ILE 7 - HD3 LYS 20 lone 0 70 - 0 - HB2 LEU 74 - HD2 LYS 43 lone 0 78 - 0 - HG12 ILE 7 - HD2 LYS 20 lone 0 69 - 0 - HB3 LEU 6 - HD3 LYS 96 lone 0 57 - 0 - HB3 LEU 38 - HD2 LYS 43 lone 0 64 - 0 - HB3 LEU 6 - HD2 LYS 96 lone 0 53 - 0 - HG3 ARG 118 - HG12 ILE 71 lone 0 83 - 0 - HD2 LYS 53 - HD3 LYS 20 lone 0 99 - 0 - HD2 LYS 53 - HD2 LYS 20 lone 0 99 - 0 - HG3 ARG 118 - HD3 LYS 43 lone 0 96 - 0 - HD2 LYS 53 - HD2 LYS 73 lone 0 99 - 0 - HD2 LYS 53 - HD3 LYS 73 lone 0 98 - 0 - HB3 LEU 6 - HG12 ILE 71 lone 0 52 - 0 - HG12 ILE 7 - HD3 LYS 43 lone 0 68 - 0 - HB2 LEU 74 - HD3 LYS 96 lone 0 82 - 0 - HB2 LEU 74 - HD2 LYS 96 lone 0 78 - 0 - HG12 ILE 7 - HD2 LYS 73 lone 0 69 - 0 - HG3 ARG 118 - HD2 LYS 43 lone 0 85 - 0 - HG12 ILE 7 - HD3 LYS 73 lone 0 68 - 0 - HG12 ILE 57 - HD2 LYS 73 lone 0 73 - 0 - HG3 LYS 49 - HD3 LYS 96 lone 0 57 - 0 - HG2 LYS 49 - HD3 LYS 96 lone 0 57 - 0 - HG12 ILE 57 - HD3 LYS 73 lone 0 71 - 0 - HG12 ILE 7 - HD2 LYS 43 lone 0 57 - 0 - HD2 LYS 53 - HD3 LYS 43 lone 0 98 - 0 - HG3 LYS 49 - HD2 LYS 96 lone 0 53 - 0 - HG2 LYS 49 - HD2 LYS 96 lone 0 53 - 0 - HG12 ILE 7 - HD3 LYS 96 lone 0 60 - 0 - HG2 LYS 106 - HD3 LYS 96 lone 0 64 - 0 - HG12 ILE 57 - HD3 LYS 43 lone 0 71 - 0 - HG3 LYS 49 - HD2 LYS 73 lone 0 65 - 0 - HG2 LYS 49 - HD2 LYS 73 lone 0 65 - 0 - HD2 LYS 53 - HD2 LYS 43 lone 0 89 - 0 - HG2 LYS 49 - HD3 LYS 73 lone 0 64 - 0 - HG3 LYS 49 - HD3 LYS 73 lone 0 64 - 0 - HG12 ILE 7 - HD2 LYS 96 lone 0 57 - 0 - HG2 LYS 106 - HD2 LYS 73 lone 0 73 - 0 - HG3 ARG 118 - HD3 LYS 96 lone 0 88 - 0 - HG2 LYS 49 - HD3 LYS 43 lone 0 64 - 0 - HG3 LYS 49 - HD3 LYS 43 lone 0 64 - 0 - HG2 LYS 106 - HD2 LYS 96 lone 0 60 - 0 - HG2 LYS 106 - HD3 LYS 73 lone 0 71 - 0 - HD2 LYS 53 - HD3 LYS 96 lone 0 92 - 0 - HG2 LYS 106 - HD3 LYS 43 lone 0 71 - 0 - HG3 ARG 118 - HD2 LYS 96 lone 0 84 - 0 - HD2 LYS 53 - HD2 LYS 96 lone 0 88 - 0 - HG12 ILE 57 - HD2 LYS 43 lone 0 60 - 0 - HG12 ILE 57 - HG12 ILE 71 lone 0 59 - 0 - HG12 ILE 7 - HG12 ILE 71 lone 0 56 - 0 - HG3 LYS 49 - HD2 LYS 43 lone 0 53 - 0 - HG2 LYS 49 - HD2 LYS 43 lone 0 53 - 0 - HG2 LYS 106 - HD2 LYS 43 lone 0 60 - 0 - HG12 ILE 57 - HD3 LYS 96 lone 0 64 - 0 - HG12 ILE 57 - HD2 LYS 96 lone 0 60 - 0 - Peak 3098 from cnoeabs.peaks (1.69, 1.69, 28.78 ppm; diagonal): 9 out of 9 assignments used, quality = 1.00: HD3 LYS 20 + HD3 LYS 20 OK 100 100 - 100 HD2 LYS 20 + HD2 LYS 20 OK 100 100 - 100 HD2 LYS 73 + HD2 LYS 73 OK 99 99 - 100 HD3 LYS 73 + HD3 LYS 73 OK 98 98 - 100 HD3 LYS 43 + HD3 LYS 43 OK 98 98 - 100 HD3 LYS 96 + HD3 LYS 96 OK 91 91 - 100 HG12 ILE 71 + HG12 ILE 71 OK 85 85 - 100 HD2 LYS 96 + HD2 LYS 96 OK 84 84 - 100 HD2 LYS 43 + HD2 LYS 43 OK 81 81 - 100 Reference assignment not found: HD2 LYS 20 - HD3 LYS 20 Peak 3099 from cnoeabs.peaks (1.69, 1.69, 28.78 ppm; diagonal): 9 out of 9 assignments used, quality = 1.00: * HD3 LYS 20 + HD3 LYS 20 OK 100 100 - 100 HD2 LYS 20 + HD2 LYS 20 OK 100 100 - 100 HD2 LYS 73 + HD2 LYS 73 OK 100 100 - 100 HD3 LYS 73 + HD3 LYS 73 OK 99 99 - 100 HD3 LYS 43 + HD3 LYS 43 OK 99 99 - 100 HD3 LYS 96 + HD3 LYS 96 OK 92 92 - 100 HD2 LYS 96 + HD2 LYS 96 OK 86 86 - 100 HG12 ILE 71 + HG12 ILE 71 OK 83 83 - 100 HD2 LYS 43 + HD2 LYS 43 OK 83 83 - 100 Peak 3100 from cnoeabs.peaks (2.96, 1.69, 28.78 ppm; 2.54 A): 12 out of 144 assignments used, quality = 1.00: * HE2 LYS 20 + HD3 LYS 20 OK 77 100 - 77 - 3.0=62, 3070/3.0=3...(17) HE3 LYS 20 + HD3 LYS 20 OK 77 100 - 77 - 3.0=62, 3070/3.0=3...(17) HE3 LYS 20 + HD2 LYS 20 OK 77 100 - 77 - 3.0=62, 3071/3.0=3...(17) HE2 LYS 20 + HD2 LYS 20 OK 77 100 - 77 - 3.0=62, 3071/3.0=3...(17) HE3 LYS 43 + HD3 LYS 43 OK 65 88 - 74 - 3.0=62, 3.9/3847=3...(14) HE3 LYS 73 + HD2 LYS 73 OK 65 83 - 78 - 2.9=66, 3.8/5170=4...(17) HE3 LYS 73 + HD3 LYS 73 OK 64 82 - 78 - 2.9=66, 3.8/5170=4...(17) HE3 LYS 43 + HD2 LYS 43 OK 57 76 - 75 - 3.0=62, 3.9/3847=3...(14) HE2 LYS 43 + HD3 LYS 43 OK 54 71 - 75 - 3.0=62, 3.9/3847=3...(16) HE2 LYS 73 + HD2 LYS 73 OK 51 65 - 79 - 2.9=66, 3.8/5170=4...(17) HE2 LYS 73 + HD3 LYS 73 OK 50 64 - 79 - 2.9=66, 3.8/5170=4...(17) HE2 LYS 43 + HD2 LYS 43 OK 46 60 - 76 - 3.0=62, 3.9/3847=3...(16) HE3 LYS 43 - HD3 LYS 20 OK 17 90 - 19 - 3070/3.0=1, 3080/3.0=1 HE3 LYS 43 - HD2 LYS 20 OK 17 89 - 19 - 3071/3.0=1, 3081/3.0=1 HE3 LYS 73 - HD3 LYS 20 OK 15 84 - 18 - 3070/3.0=1, 3081/3.0=1 HE3 LYS 73 - HD2 LYS 20 OK 15 84 - 18 - 3071/3.0=1, 3080/3.0=1 HE2 LYS 43 - HD3 LYS 20 OK 15 73 - 20 - 3070/3.0=1, 3080/3.0=1 HE2 LYS 43 - HD2 LYS 20 OK 14 73 - 20 - 3070/3.0=1, 3081/3.0=1 HE2 LYS 73 - HD3 LYS 20 OK 12 65 - 19 - HE2 LYS 73 - HD2 LYS 20 OK 12 65 - 19 - HE3 LYS 40 - HD3 LYS 20 OK 12 100 - 12 - HE3 LYS 40 - HD2 LYS 20 OK 12 100 - 12 - HE3 LYS 20 - HD2 LYS 73 OK 12 100 - 12 - HE2 LYS 20 - HD2 LYS 73 OK 12 100 - 12 - HE2 LYS 20 - HD3 LYS 73 OK 12 99 - 12 - HE3 LYS 20 - HD3 LYS 73 OK 12 99 - 12 - HE3 LYS 43 - HD2 LYS 73 OK 12 89 - 13 - 5207/3.0=1 HE3 LYS 43 - HD3 LYS 73 OK 12 88 - 13 - 5207/3.0=1 HE2 LYS 40 - HD3 LYS 20 OK 12 99 - 12 - HE2 LYS 20 - HD3 LYS 43 OK 12 99 - 12 - 3.9/3069=1 HE3 LYS 20 - HD3 LYS 43 OK 12 99 - 12 - 3.9/3069=1 HE2 LYS 40 - HD2 LYS 20 OK 11 99 - 12 - HE3 LYS 20 - HD2 LYS 43 OK 10 90 - 12 - HE2 LYS 20 - HD2 LYS 43 OK 10 90 - 12 - HE2 LYS 43 - HD2 LYS 73 poor 10 73 - 14 - 5207/3.0=1 HE2 LYS 43 - HD3 LYS 73 poor 10 71 - 14 - 5207/3.0=1 HE3 LYS 40 - HD3 LYS 43 lone 9 99 - 9 - HE2 LYS 40 - HD3 LYS 43 lone 9 98 - 9 - HE3 LYS 73 - HD3 LYS 43 poor 9 82 - 11 - HE3 LYS 40 - HD2 LYS 43 lone 8 90 - 9 - HE2 LYS 40 - HD2 LYS 43 lone 8 89 - 9 - HE3 LYS 73 - HD2 LYS 43 poor 8 70 - 11 - HE2 LYS 73 - HD3 LYS 43 poor 7 64 - 12 - HE2 LYS 20 - HD3 LYS 96 lone 7 94 - 7 - HE3 LYS 20 - HD3 LYS 96 lone 7 94 - 7 - HE2 LYS 73 - HD2 LYS 43 poor 6 53 - 12 - HE3 LYS 20 - HD2 LYS 96 lone 6 90 - 7 - HE2 LYS 20 - HD2 LYS 96 lone 6 90 - 7 - HE3 LYS 73 - HD3 LYS 96 lone 5 74 - 7 - HE3 LYS 40 - HD2 LYS 73 lone 5 100 - 5 - HE3 LYS 40 - HD3 LYS 73 lone 5 99 - 5 - HE3 LYS 73 - HD2 LYS 96 lone 5 70 - 7 - HE3 LYS 43 - HD3 LYS 96 lone 5 80 - 6 - HE2 LYS 40 - HD2 LYS 73 lone 5 99 - 5 - HE2 LYS 40 - HD3 LYS 73 lone 5 98 - 5 - HE3 LYS 43 - HD2 LYS 96 lone 4 76 - 6 - HE3 LYS 40 - HD3 LYS 96 lone 4 93 - 5 - HE2 LYS 40 - HD3 LYS 96 lone 4 92 - 4 - HE3 LYS 40 - HD2 LYS 96 lone 4 90 - 5 - HE2 LYS 73 - HD3 LYS 96 lone 4 57 - 7 - HE2 LYS 40 - HD2 LYS 96 lone 4 88 - 4 - HE2 LYS 43 - HD3 LYS 96 lone 4 64 - 6 - HE2 LYS 73 - HD2 LYS 96 lone 4 53 - 7 - HE2 LYS 43 - HD2 LYS 96 lone 4 60 - 6 - HE2 LYS 39 - HD2 LYS 73 lone 2 76 - 3 - HE2 LYS 39 - HD3 LYS 73 lone 2 75 - 3 - HE2 LYS 39 - HD3 LYS 96 lone 2 68 - 3 - HE3 LYS 39 - HD2 LYS 73 lone 2 69 - 3 - HE3 LYS 39 - HD3 LYS 73 lone 2 68 - 3 - HE2 LYS 39 - HD3 LYS 20 lone 2 77 - 2 - HE2 LYS 39 - HD2 LYS 96 lone 2 63 - 3 - HE2 LYS 39 - HD2 LYS 20 lone 2 77 - 2 - HD3 ARG 118 - HD3 LYS 20 lone 2 97 - 2 - HD3 ARG 118 - HD2 LYS 20 lone 2 97 - 2 - HE2 LYS 39 - HD3 LYS 43 lone 2 75 - 2 - HE3 LYS 39 - HD3 LYS 96 lone 2 60 - 3 - HE3 LYS 39 - HD2 LYS 96 lone 2 57 - 3 - HE3 LYS 39 - HD3 LYS 20 lone 2 70 - 2 - HE3 LYS 39 - HD2 LYS 20 lone 2 69 - 2 - HE3 LYS 39 - HD3 LYS 43 lone 2 68 - 2 - HE2 LYS 39 - HD2 LYS 43 lone 1 64 - 2 - HE3 LYS 39 - HD2 LYS 43 lone 1 57 - 2 - HE3 LYS 73 - HG12 ILE 71 lone 1 69 - 1 - HE3 LYS 106 - HD3 LYS 20 lone 1 90 - 1 - HE3 LYS 106 - HD2 LYS 20 lone 1 89 - 1 - HE2 LYS 106 - HD3 LYS 20 lone 1 87 - 1 - HE2 LYS 106 - HD2 LYS 20 lone 1 87 - 1 - HE2 LYS 73 - HG12 ILE 71 lone 1 52 - 1 - HB2 ASN 24 - HD2 LYS 20 lone 0 100 - 0 - HB3 ASN 24 - HD2 LYS 20 lone 0 100 - 0 - HB3 ASN 24 - HD3 LYS 20 lone 0 100 - 0 - HB2 ASN 24 - HD3 LYS 20 lone 0 100 - 0 - HE3 LYS 106 - HD3 LYS 96 lone 0 80 - 0 - HE3 LYS 106 - HG12 ILE 71 lone 0 75 - 0 - HE2 LYS 106 - HD3 LYS 96 lone 0 77 - 0 - HE2 LYS 106 - HG12 ILE 71 lone 0 72 - 0 - HE3 LYS 106 - HD2 LYS 96 lone 0 76 - 0 - HD3 ARG 118 - HD2 LYS 73 lone 0 96 - 0 - HE2 LYS 106 - HD2 LYS 96 lone 0 73 - 0 - HD3 ARG 118 - HD3 LYS 73 lone 0 96 - 0 - HE2 LYS 20 - HG12 ILE 71 lone 0 89 - 0 - HE3 LYS 20 - HG12 ILE 71 lone 0 89 - 0 - HB3 ASN 24 - HD2 LYS 73 lone 0 99 - 0 - HB2 ASN 24 - HD2 LYS 73 lone 0 99 - 0 - HB2 ASN 24 - HD3 LYS 73 lone 0 99 - 0 - HB3 ASN 24 - HD3 LYS 73 lone 0 99 - 0 - HB2 ASN 24 - HD3 LYS 43 lone 0 99 - 0 - HB3 ASN 24 - HD3 LYS 43 lone 0 99 - 0 - HE3 LYS 106 - HD3 LYS 43 lone 0 88 - 0 - HD3 ARG 118 - HD3 LYS 43 lone 0 96 - 0 - HE2 LYS 106 - HD3 LYS 43 lone 0 85 - 0 - HB3 PHE 51 - HD3 LYS 20 lone 0 100 - 0 - HB3 PHE 51 - HD2 LYS 20 lone 0 100 - 0 - HB2 ASN 24 - HD2 LYS 43 lone 0 89 - 0 - HB3 ASN 24 - HD2 LYS 43 lone 0 89 - 0 - HE3 LYS 106 - HD2 LYS 73 lone 0 89 - 0 - HE3 LYS 106 - HD3 LYS 73 lone 0 88 - 0 - HE2 LYS 106 - HD2 LYS 73 lone 0 86 - 0 - HE2 LYS 106 - HD3 LYS 73 lone 0 85 - 0 - HD3 ARG 118 - HD2 LYS 43 lone 0 85 - 0 - HE3 LYS 40 - HG12 ILE 71 lone 0 89 - 0 - HE3 LYS 106 - HD2 LYS 43 lone 0 76 - 0 - HE2 LYS 40 - HG12 ILE 71 lone 0 87 - 0 - HB3 PHE 51 - HD2 LYS 73 lone 0 99 - 0 - HB3 PHE 51 - HD3 LYS 43 lone 0 99 - 0 - HB3 PHE 51 - HD3 LYS 73 lone 0 99 - 0 - HE2 LYS 106 - HD2 LYS 43 lone 0 73 - 0 - HE3 LYS 43 - HG12 ILE 71 lone 0 75 - 0 - HB3 ASN 24 - HD3 LYS 96 lone 0 93 - 0 - HB2 ASN 24 - HD3 LYS 96 lone 0 93 - 0 - HB3 PHE 51 - HD3 LYS 96 lone 0 93 - 0 - HD3 ARG 118 - HD3 LYS 96 lone 0 88 - 0 - HB3 PHE 51 - HD2 LYS 43 lone 0 89 - 0 - HB3 ASN 24 - HD2 LYS 96 lone 0 89 - 0 - HB2 ASN 24 - HD2 LYS 96 lone 0 89 - 0 - HB2 ASN 24 - HG12 ILE 71 lone 0 88 - 0 - HB3 ASN 24 - HG12 ILE 71 lone 0 88 - 0 - HB3 PHE 51 - HD2 LYS 96 lone 0 89 - 0 - HD3 ARG 118 - HG12 ILE 71 lone 0 83 - 0 - HD3 ARG 118 - HD2 LYS 96 lone 0 84 - 0 - HB3 PHE 51 - HG12 ILE 71 lone 0 88 - 0 - HE2 LYS 43 - HG12 ILE 71 lone 0 59 - 0 - HE2 LYS 39 - HG12 ILE 71 lone 0 63 - 0 - HE3 LYS 39 - HG12 ILE 71 lone 0 56 - 0 - Peak 3101 from cnoeabs.peaks (2.96, 1.69, 28.78 ppm; 2.54 A): 12 out of 144 assignments used, quality = 1.00: HE2 LYS 20 + HD3 LYS 20 OK 77 100 - 77 - 3.0=62, 3070/3.0=3...(17) * HE3 LYS 20 + HD3 LYS 20 OK 77 100 - 77 - 3.0=62, 3070/3.0=3...(17) HE3 LYS 20 + HD2 LYS 20 OK 77 100 - 77 - 3.0=62, 3071/3.0=3...(17) HE2 LYS 20 + HD2 LYS 20 OK 77 100 - 77 - 3.0=62, 3071/3.0=3...(17) HE3 LYS 43 + HD3 LYS 43 OK 65 88 - 74 - 3.0=62, 3.9/3847=3...(14) HE3 LYS 73 + HD2 LYS 73 OK 65 83 - 78 - 2.9=66, 3.8/5170=4...(17) HE3 LYS 73 + HD3 LYS 73 OK 64 82 - 78 - 2.9=66, 3.8/5170=4...(17) HE3 LYS 43 + HD2 LYS 43 OK 57 76 - 75 - 3.0=62, 3.9/3847=3...(14) HE2 LYS 43 + HD3 LYS 43 OK 54 71 - 75 - 3.0=62, 3.9/3847=3...(16) HE2 LYS 73 + HD2 LYS 73 OK 51 65 - 79 - 2.9=66, 3.8/5170=4...(17) HE2 LYS 73 + HD3 LYS 73 OK 50 64 - 79 - 2.9=66, 3.8/5170=4...(17) HE2 LYS 43 + HD2 LYS 43 OK 46 60 - 76 - 3.0=62, 3.9/3847=3...(16) HE3 LYS 43 - HD3 LYS 20 OK 17 90 - 19 - 3070/3.0=1, 3080/3.0=1 HE3 LYS 43 - HD2 LYS 20 OK 17 89 - 19 - 3071/3.0=1, 3081/3.0=1 HE3 LYS 73 - HD3 LYS 20 OK 15 84 - 18 - 3070/3.0=1, 3081/3.0=1 HE3 LYS 73 - HD2 LYS 20 OK 15 84 - 18 - 3071/3.0=1, 3080/3.0=1 HE2 LYS 43 - HD3 LYS 20 OK 15 73 - 20 - 3070/3.0=1, 3080/3.0=1 HE2 LYS 43 - HD2 LYS 20 OK 14 73 - 20 - 3070/3.0=1, 3081/3.0=1 HE2 LYS 73 - HD3 LYS 20 OK 12 65 - 19 - HE2 LYS 73 - HD2 LYS 20 OK 12 65 - 19 - HE3 LYS 40 - HD3 LYS 20 OK 12 100 - 12 - HE3 LYS 40 - HD2 LYS 20 OK 12 100 - 12 - HE3 LYS 20 - HD2 LYS 73 OK 12 100 - 12 - HE2 LYS 20 - HD2 LYS 73 OK 12 100 - 12 - HE2 LYS 20 - HD3 LYS 73 OK 12 99 - 12 - HE3 LYS 20 - HD3 LYS 73 OK 12 99 - 12 - HE3 LYS 43 - HD2 LYS 73 OK 12 89 - 13 - 5207/3.0=1 HE3 LYS 43 - HD3 LYS 73 OK 12 88 - 13 - 5207/3.0=1 HE2 LYS 40 - HD3 LYS 20 OK 12 99 - 12 - HE2 LYS 20 - HD3 LYS 43 OK 12 99 - 12 - 3.9/3069=1 HE3 LYS 20 - HD3 LYS 43 OK 12 99 - 12 - 3.9/3069=1 HE2 LYS 40 - HD2 LYS 20 OK 11 99 - 12 - HE3 LYS 20 - HD2 LYS 43 OK 10 90 - 12 - HE2 LYS 20 - HD2 LYS 43 OK 10 90 - 12 - HE2 LYS 43 - HD2 LYS 73 poor 10 73 - 14 - 5207/3.0=1 HE2 LYS 43 - HD3 LYS 73 poor 10 71 - 14 - 5207/3.0=1 HE3 LYS 40 - HD3 LYS 43 lone 9 99 - 9 - HE2 LYS 40 - HD3 LYS 43 lone 9 98 - 9 - HE3 LYS 73 - HD3 LYS 43 poor 9 82 - 11 - HE3 LYS 40 - HD2 LYS 43 lone 8 90 - 9 - HE2 LYS 40 - HD2 LYS 43 lone 8 89 - 9 - HE3 LYS 73 - HD2 LYS 43 poor 8 70 - 11 - HE2 LYS 73 - HD3 LYS 43 poor 7 64 - 12 - HE2 LYS 20 - HD3 LYS 96 lone 7 94 - 7 - HE3 LYS 20 - HD3 LYS 96 lone 7 94 - 7 - HE2 LYS 73 - HD2 LYS 43 poor 6 53 - 12 - HE3 LYS 20 - HD2 LYS 96 lone 6 90 - 7 - HE2 LYS 20 - HD2 LYS 96 lone 6 90 - 7 - HE3 LYS 73 - HD3 LYS 96 lone 5 74 - 7 - HE3 LYS 40 - HD2 LYS 73 lone 5 100 - 5 - HE3 LYS 40 - HD3 LYS 73 lone 5 99 - 5 - HE3 LYS 73 - HD2 LYS 96 lone 5 70 - 7 - HE3 LYS 43 - HD3 LYS 96 lone 5 80 - 6 - HE2 LYS 40 - HD2 LYS 73 lone 5 99 - 5 - HE2 LYS 40 - HD3 LYS 73 lone 5 98 - 5 - HE3 LYS 43 - HD2 LYS 96 lone 4 76 - 6 - HE3 LYS 40 - HD3 LYS 96 lone 4 93 - 5 - HE2 LYS 40 - HD3 LYS 96 lone 4 92 - 4 - HE3 LYS 40 - HD2 LYS 96 lone 4 90 - 5 - HE2 LYS 73 - HD3 LYS 96 lone 4 57 - 7 - HE2 LYS 40 - HD2 LYS 96 lone 4 88 - 4 - HE2 LYS 43 - HD3 LYS 96 lone 4 64 - 6 - HE2 LYS 73 - HD2 LYS 96 lone 4 53 - 7 - HE2 LYS 43 - HD2 LYS 96 lone 4 60 - 6 - HE2 LYS 39 - HD2 LYS 73 lone 2 76 - 3 - HE2 LYS 39 - HD3 LYS 73 lone 2 75 - 3 - HE2 LYS 39 - HD3 LYS 96 lone 2 68 - 3 - HE3 LYS 39 - HD2 LYS 73 lone 2 69 - 3 - HE3 LYS 39 - HD3 LYS 73 lone 2 68 - 3 - HE2 LYS 39 - HD3 LYS 20 lone 2 77 - 2 - HE2 LYS 39 - HD2 LYS 96 lone 2 63 - 3 - HE2 LYS 39 - HD2 LYS 20 lone 2 77 - 2 - HD3 ARG 118 - HD3 LYS 20 lone 2 97 - 2 - HD3 ARG 118 - HD2 LYS 20 lone 2 97 - 2 - HE2 LYS 39 - HD3 LYS 43 lone 2 75 - 2 - HE3 LYS 39 - HD3 LYS 96 lone 2 60 - 3 - HE3 LYS 39 - HD2 LYS 96 lone 2 57 - 3 - HE3 LYS 39 - HD3 LYS 20 lone 2 70 - 2 - HE3 LYS 39 - HD2 LYS 20 lone 2 69 - 2 - HE3 LYS 39 - HD3 LYS 43 lone 2 68 - 2 - HE2 LYS 39 - HD2 LYS 43 lone 1 64 - 2 - HE3 LYS 39 - HD2 LYS 43 lone 1 57 - 2 - HE3 LYS 73 - HG12 ILE 71 lone 1 69 - 1 - HE3 LYS 106 - HD3 LYS 20 lone 1 90 - 1 - HE3 LYS 106 - HD2 LYS 20 lone 1 89 - 1 - HE2 LYS 106 - HD3 LYS 20 lone 1 87 - 1 - HE2 LYS 106 - HD2 LYS 20 lone 1 87 - 1 - HE2 LYS 73 - HG12 ILE 71 lone 1 52 - 1 - HB2 ASN 24 - HD2 LYS 20 lone 0 100 - 0 - HB3 ASN 24 - HD2 LYS 20 lone 0 100 - 0 - HB3 ASN 24 - HD3 LYS 20 lone 0 100 - 0 - HB2 ASN 24 - HD3 LYS 20 lone 0 100 - 0 - HE3 LYS 106 - HD3 LYS 96 lone 0 80 - 0 - HE3 LYS 106 - HG12 ILE 71 lone 0 75 - 0 - HE2 LYS 106 - HD3 LYS 96 lone 0 77 - 0 - HE2 LYS 106 - HG12 ILE 71 lone 0 72 - 0 - HE3 LYS 106 - HD2 LYS 96 lone 0 76 - 0 - HD3 ARG 118 - HD2 LYS 73 lone 0 96 - 0 - HE2 LYS 106 - HD2 LYS 96 lone 0 73 - 0 - HD3 ARG 118 - HD3 LYS 73 lone 0 96 - 0 - HE2 LYS 20 - HG12 ILE 71 lone 0 89 - 0 - HE3 LYS 20 - HG12 ILE 71 lone 0 89 - 0 - HB3 ASN 24 - HD2 LYS 73 lone 0 99 - 0 - HB2 ASN 24 - HD2 LYS 73 lone 0 99 - 0 - HB2 ASN 24 - HD3 LYS 73 lone 0 99 - 0 - HB3 ASN 24 - HD3 LYS 73 lone 0 99 - 0 - HB2 ASN 24 - HD3 LYS 43 lone 0 99 - 0 - HB3 ASN 24 - HD3 LYS 43 lone 0 99 - 0 - HE3 LYS 106 - HD3 LYS 43 lone 0 88 - 0 - HD3 ARG 118 - HD3 LYS 43 lone 0 96 - 0 - HE2 LYS 106 - HD3 LYS 43 lone 0 85 - 0 - HB3 PHE 51 - HD3 LYS 20 lone 0 100 - 0 - HB3 PHE 51 - HD2 LYS 20 lone 0 100 - 0 - HB2 ASN 24 - HD2 LYS 43 lone 0 89 - 0 - HB3 ASN 24 - HD2 LYS 43 lone 0 89 - 0 - HE3 LYS 106 - HD2 LYS 73 lone 0 89 - 0 - HE3 LYS 106 - HD3 LYS 73 lone 0 88 - 0 - HE2 LYS 106 - HD2 LYS 73 lone 0 86 - 0 - HE2 LYS 106 - HD3 LYS 73 lone 0 85 - 0 - HD3 ARG 118 - HD2 LYS 43 lone 0 85 - 0 - HE3 LYS 40 - HG12 ILE 71 lone 0 89 - 0 - HE3 LYS 106 - HD2 LYS 43 lone 0 76 - 0 - HE2 LYS 40 - HG12 ILE 71 lone 0 87 - 0 - HB3 PHE 51 - HD2 LYS 73 lone 0 99 - 0 - HB3 PHE 51 - HD3 LYS 43 lone 0 99 - 0 - HB3 PHE 51 - HD3 LYS 73 lone 0 99 - 0 - HE2 LYS 106 - HD2 LYS 43 lone 0 73 - 0 - HE3 LYS 43 - HG12 ILE 71 lone 0 75 - 0 - HB3 ASN 24 - HD3 LYS 96 lone 0 93 - 0 - HB2 ASN 24 - HD3 LYS 96 lone 0 93 - 0 - HB3 PHE 51 - HD3 LYS 96 lone 0 93 - 0 - HD3 ARG 118 - HD3 LYS 96 lone 0 88 - 0 - HB3 PHE 51 - HD2 LYS 43 lone 0 89 - 0 - HB3 ASN 24 - HD2 LYS 96 lone 0 89 - 0 - HB2 ASN 24 - HD2 LYS 96 lone 0 89 - 0 - HB2 ASN 24 - HG12 ILE 71 lone 0 88 - 0 - HB3 ASN 24 - HG12 ILE 71 lone 0 88 - 0 - HB3 PHE 51 - HD2 LYS 96 lone 0 89 - 0 - HD3 ARG 118 - HG12 ILE 71 lone 0 83 - 0 - HD3 ARG 118 - HD2 LYS 96 lone 0 84 - 0 - HB3 PHE 51 - HG12 ILE 71 lone 0 88 - 0 - HE2 LYS 43 - HG12 ILE 71 lone 0 59 - 0 - HE2 LYS 39 - HG12 ILE 71 lone 0 63 - 0 - HE3 LYS 39 - HG12 ILE 71 lone 0 56 - 0 - Peak 3105 from cnoeabs.peaks (1.89, 2.96, 41.78 ppm; 3.50 A): 7 out of 168 assignments used, quality = 1.00: * HB3 LYS 20 + HE2 LYS 20 OK 84 100 - 84 - 4.8=38, 2.9/3071=7...(42) HB3 LYS 20 + HE3 LYS 20 OK 84 100 - 84 - 4.8=38, 2.9/3071=7...(42) HB2 LYS 20 + HE2 LYS 20 OK 84 100 - 84 - 4.8=38, 2.9/3071=7...(42) HB2 LYS 20 + HE3 LYS 20 OK 84 100 - 84 - 4.8=38, 2.9/3071=7...(42) HB3 LYS 73 + HE3 LYS 73 OK 53 66 - 80 - 4.9=37, 5137/3.8=6...(31) HB2 LYS 73 + HE3 LYS 73 OK 52 65 - 80 - 4.9=37, 5137/3.8=6...(31) HB3 LYS 43 + HE3 LYS 43 OK 51 64 - 79 - 4.7=42, 3.0/3849=5...(40) HB2 LYS 43 - HE3 LYS 43 OK 38 47 - 80 - 4.7=42, 3.0/3849=5...(40) HB3 LYS 20 - HE3 LYS 43 OK 31 78 - 40 - 2.9/3071=3, 2.9/3081=3...(9) HB2 LYS 20 - HE3 LYS 43 OK 31 78 - 40 - 2.9/3071=3, 2.9/3081=3...(9) HB2 LYS 73 - HE3 LYS 20 OK 28 99 - 29 - 2.9/5172=1, 2.9/5162=1...(4) HB2 LYS 73 - HE2 LYS 20 OK 28 99 - 29 - 2.9/5172=1, 2.9/5162=1...(4) HB3 LYS 73 - HE3 LYS 20 OK 28 99 - 29 - 2.9/5172=1, 2.9/5162=1...(4) HB3 LYS 73 - HE2 LYS 20 OK 28 99 - 29 - 2.9/5172=1, 2.9/5162=1...(4) HB3 LYS 16 - HE2 LYS 40 OK 26 91 - 29 - 3.0/3733=2, 2744/3.9=2...(12) HB2 LYS 16 - HE2 LYS 40 OK 26 89 - 30 - 3.0/3733=2, 2734/3.9=2...(12) HB3 LYS 16 - HE3 LYS 40 OK 26 93 - 28 - 2744/3.9=2, 3.0/3733=2...(11) HB3 LYS 20 - HE3 LYS 73 OK 26 68 - 38 - 2.9/3070=2, 2.9/3080=2...(10) HB2 LYS 20 - HE3 LYS 73 OK 26 68 - 38 - 2.9/3070=2, 2.9/3080=2...(10) HB2 LYS 16 - HE3 LYS 40 OK 26 91 - 29 - 2734/3.9=2, 3.0/3733=2...(11) HB3 LYS 43 - HE3 LYS 20 OK 25 90 - 28 - 3.0/3849=2, ~3849=1...(5) HB3 LYS 43 - HE2 LYS 20 OK 25 90 - 28 - 3.0/3849=2, ~3849=1...(5) HB3 LYS 73 - HE3 LYS 43 OK 25 76 - 33 - 2.9/5172=2, 2.9/5162=2...(10) HB2 LYS 73 - HE3 LYS 43 OK 25 75 - 33 - 2.9/5172=2, 2.9/5162=2...(10) HB3 LYS 20 - HE3 LYS 40 OK 24 100 - 24 - 2.9/3070=2, 2.9/3080=2...(4) HB2 LYS 20 - HE3 LYS 40 OK 24 100 - 24 - 2.9/3070=2, 2.9/3080=2...(4) HB3 LYS 20 - HE2 LYS 40 OK 24 99 - 24 - 2.9/3071=2, 2.9/3081=2...(4) HB2 LYS 20 - HE2 LYS 40 OK 24 99 - 24 - 2.9/3071=2, 2.9/3081=2...(4) HB2 LYS 43 - HE2 LYS 20 OK 20 70 - 29 - 3.0/3849=2, ~3849=1...(5) HB2 LYS 43 - HE3 LYS 20 OK 20 70 - 29 - 3.0/3849=2, ~3849=1...(5) HB3 LYS 43 - HE3 LYS 40 OK 15 89 - 17 - 3.0/3849=1 HB3 LYS 43 - HE2 LYS 40 OK 14 86 - 17 - 3.0/3849=1 HB3 LYS 43 - HE3 LYS 73 OK 14 55 - 26 - 3.0/3849=2, ~3848=1...(4) HB2 LYS 96 - HE3 LYS 20 OK 13 90 - 14 - HB2 LYS 96 - HE2 LYS 20 OK 13 90 - 14 - HB2 LYS 43 - HE3 LYS 40 OK 12 69 - 17 - 3.0/3849=1 HB2 LYS 43 - HE2 LYS 40 OK 11 66 - 17 - 3.0/3849=1 HB2 LYS 43 - HE3 LYS 73 OK 10 40 - 26 - 3.0/3849=2, ~3848=1...(4) HB2 LYS 73 - HE3 LYS 40 OK 10 98 - 10 - HB3 LYS 73 - HE3 LYS 40 OK 10 99 - 10 - HB3 LYS 73 - HE2 LYS 40 lone 9 97 - 9 - HB2 LYS 73 - HE2 LYS 40 lone 9 97 - 10 - HB2 LYS 96 - HE3 LYS 40 poor 9 89 - 10 - 8066/6.4=1 HB2 LYS 96 - HE2 LYS 40 poor 9 86 - 10 - 8066/6.4=1 HB2 LYS 96 - HE3 LYS 43 poor 8 64 - 12 - HB2 LYS 96 - HE3 LYS 73 poor 8 55 - 14 - HB3 LYS 16 - HE2 LYS 20 lone 6 94 - 6 - HB3 LYS 16 - HE3 LYS 20 lone 6 94 - 6 - HB2 LYS 16 - HE2 LYS 20 lone 6 92 - 6 - HB2 LYS 16 - HE3 LYS 20 lone 6 92 - 6 - HB3 LYS 44 - HE3 LYS 43 poor 5 50 - 11 - HB3 LYS 44 - HE3 LYS 73 lone 4 43 - 9 - HB2 ARG 95 - HE3 LYS 40 lone 4 96 - 4 - 7789/7.5=1 HB2 ARG 95 - HE2 LYS 40 lone 4 94 - 4 - 7789/7.5=1 HB2 ARG 95 - HE2 LYS 20 lone 3 97 - 3 - HB2 ARG 95 - HE3 LYS 20 lone 3 97 - 3 - HG LEU 45 - HE3 LYS 20 lone 3 96 - 3 - HG LEU 45 - HE2 LYS 20 lone 3 96 - 3 - HB2 LEU 45 - HE3 LYS 20 lone 3 81 - 3 - HB2 LEU 45 - HE2 LYS 20 lone 3 81 - 3 - HB3 LYS 16 - HE3 LYS 73 lone 3 59 - 4 - HB2 LYS 16 - HE3 LYS 73 lone 3 57 - 4 - HB3 LYS 44 - HE3 LYS 20 lone 2 73 - 3 - HB3 LYS 44 - HE2 LYS 20 lone 2 73 - 3 - HG LEU 45 - HE3 LYS 73 lone 2 61 - 3 - HB ILE 7 - HE3 LYS 106 lone 2 78 - 2 - 9089/7.5=1 HB2 LEU 45 - HE3 LYS 73 lone 2 48 - 4 - HG2 ARG 95 - HE3 LYS 40 lone 2 80 - 2 - 7791/7.5=1 HG LEU 45 - HE3 LYS 43 lone 2 71 - 3 - HB ILE 7 - HE2 LYS 106 lone 2 73 - 2 - 9089/7.5=1 HG2 ARG 95 - HE2 LYS 40 lone 2 77 - 2 - 7791/7.5=1 HG2 ARG 95 - HE3 LYS 20 lone 2 81 - 2 - HG2 ARG 95 - HE2 LYS 20 lone 2 81 - 2 - HB2 LYS 20 - HE3 LYS 106 lone 1 78 - 2 - HB3 LYS 20 - HE3 LYS 106 lone 1 78 - 2 - HB ILE 71 - HE3 LYS 73 lone 1 64 - 2 - HB3 LYS 44 - HE3 LYS 40 lone 1 73 - 2 - HB2 ARG 95 - HE3 LYS 73 lone 1 63 - 2 - HB3 LYS 20 - HE2 LYS 106 lone 1 73 - 2 - HB2 LYS 20 - HE2 LYS 106 lone 1 73 - 2 - HB3 LYS 44 - HE2 LYS 40 lone 1 70 - 2 - HB2 ARG 95 - HE3 LYS 43 lone 1 72 - 2 - HB3 LYS 16 - HE3 LYS 43 lone 1 69 - 2 - HB2 LYS 16 - HE3 LYS 43 lone 1 66 - 2 - HB2 LEU 45 - HE3 LYS 43 lone 1 56 - 2 - HB2 LYS 96 - HE3 LYS 106 lone 1 64 - 2 - HB2 LYS 96 - HE2 LYS 106 lone 1 60 - 2 - HG2 ARG 95 - HE3 LYS 43 lone 1 56 - 1 - HG2 ARG 95 - HE3 LYS 73 lone 1 48 - 2 - HB ILE 71 - HE3 LYS 20 lone 1 98 - 1 - HB ILE 71 - HE2 LYS 20 lone 1 98 - 1 - HB ILE 71 - HE3 LYS 106 lone 1 74 - 1 - HB3 ARG 118 - HE3 LYS 20 lone 1 61 - 1 - HB3 ARG 118 - HE2 LYS 20 lone 1 61 - 1 - HG LEU 45 - HE3 LYS 40 lone 1 95 - 1 - HG LEU 45 - HE2 LYS 40 lone 1 93 - 1 - HB ILE 71 - HE2 LYS 106 lone 1 69 - 1 - HB3 LYS 43 - HE3 LYS 106 lone 1 64 - 1 - HB2 GLU 128 - HE3 LYS 40 lone 0 89 - 1 - HB ILE 7 - HE3 LYS 20 lone 0 100 - 0 - HB ILE 7 - HE2 LYS 20 lone 0 100 - 0 - HB2 LYS 49 - HE3 LYS 20 lone 0 94 - 1 - HB2 LYS 49 - HE2 LYS 20 lone 0 94 - 1 - HB ILE 71 - HE3 LYS 40 lone 0 98 - 0 - HB2 LEU 45 - HE3 LYS 40 lone 0 80 - 1 - HB2 GLU 128 - HE2 LYS 40 lone 0 86 - 1 - HB3 LYS 43 - HE2 LYS 106 lone 1 60 - 1 - HB ILE 71 - HE2 LYS 40 lone 0 96 - 0 - HB2 LEU 45 - HE2 LYS 40 lone 0 77 - 1 - HB ILE 7 - HE2 LYS 40 lone 0 98 - 0 - HB ILE 7 - HE3 LYS 40 lone 0 100 - 0 - HB2 LYS 49 - HE2 LYS 40 lone 0 91 - 0 - HB ILE 71 - HE3 LYS 43 lone 0 74 - 1 - HB2 LYS 49 - HE3 LYS 40 lone 0 93 - 0 - QE MET 67 - HE2 LYS 20 lone 0 92 - 0 - QE MET 67 - HE3 LYS 20 lone 0 92 - 0 - HB2 GLU 128 - HE2 LYS 20 lone 0 90 - 0 - HB2 GLU 128 - HE3 LYS 20 lone 0 90 - 0 - QE MET 67 - HE3 LYS 40 lone 0 91 - 0 - HB3 LYS 73 - HE3 LYS 106 lone 0 76 - 0 - QE MET 67 - HE2 LYS 40 lone 0 89 - 0 - HB2 LYS 73 - HE3 LYS 106 lone 0 75 - 0 - HB2 LYS 43 - HE3 LYS 106 lone 0 47 - 1 - HB3 LYS 16 - HE3 LYS 106 lone 0 69 - 1 - HB ILE 7 - HE3 LYS 43 lone 0 78 - 0 - HB3 LYS 73 - HE2 LYS 106 lone 0 71 - 0 - HB2 LYS 16 - HE3 LYS 106 lone 0 66 - 1 - HB2 LYS 73 - HE2 LYS 106 lone 0 70 - 0 - HB2 LYS 43 - HE2 LYS 106 lone 0 44 - 1 - HB3 LYS 16 - HE2 LYS 106 lone 0 64 - 1 - HB3 LYS 44 - HE3 LYS 106 lone 0 50 - 1 - HB2 LYS 16 - HE2 LYS 106 lone 0 62 - 1 - HB2 LEU 63 - HE3 LYS 20 lone 0 61 - 1 - HB2 LEU 63 - HE2 LYS 20 lone 0 61 - 1 - HB3 ARG 118 - HE3 LYS 40 lone 0 61 - 1 - HB3 ARG 118 - HE2 LYS 40 lone 0 58 - 1 - HB3 LYS 44 - HE2 LYS 106 lone 0 46 - 1 - HB2 LYS 49 - HE3 LYS 43 lone 0 69 - 0 - HB2 LEU 63 - HE3 LYS 40 lone 0 61 - 1 - HB ILE 7 - HE3 LYS 73 lone 0 68 - 0 - HB2 LYS 49 - HE3 LYS 106 lone 0 69 - 0 - HB2 LEU 63 - HE2 LYS 40 lone 0 58 - 0 - HB2 ARG 95 - HE3 LYS 106 lone 0 72 - 0 - HB2 LYS 49 - HE2 LYS 106 lone 0 64 - 0 - HG LEU 45 - HE3 LYS 106 lone 0 71 - 0 - HB2 GLU 128 - HE3 LYS 43 lone 0 64 - 0 - HB2 ARG 95 - HE2 LYS 106 lone 0 68 - 0 - HB2 LYS 49 - HE3 LYS 73 lone 0 59 - 0 - QE MET 67 - HE3 LYS 43 lone 0 66 - 0 - QE MET 67 - HE3 LYS 73 lone 0 57 - 0 - HB3 ARG 118 - HE3 LYS 106 lone 0 41 - 1 - HG LEU 45 - HE2 LYS 106 lone 0 66 - 0 - QE MET 67 - HE3 LYS 106 lone 0 66 - 0 - HB2 GLU 128 - HE3 LYS 73 lone 0 55 - 0 - HB2 GLU 128 - HE3 LYS 106 lone 0 64 - 0 - HB3 ARG 118 - HE2 LYS 106 lone 0 38 - 1 - QE MET 67 - HE2 LYS 106 lone 0 62 - 0 - HB2 LEU 45 - HE3 LYS 106 lone 0 56 - 0 - HB2 GLU 128 - HE2 LYS 106 lone 0 60 - 0 - HG2 ARG 95 - HE3 LYS 106 lone 0 56 - 0 - HB3 ARG 118 - HE3 LYS 73 lone 0 35 - 1 - HB3 ARG 118 - HE3 LYS 43 lone 0 41 - 0 - HB2 LEU 45 - HE2 LYS 106 lone 0 52 - 0 - HG2 ARG 95 - HE2 LYS 106 lone 0 52 - 0 - HB2 LEU 63 - HE3 LYS 106 lone 0 41 - 0 - HB2 LEU 63 - HE3 LYS 43 lone 0 41 - 0 - HB2 LEU 63 - HE2 LYS 106 lone 0 38 - 0 - HB2 LEU 63 - HE3 LYS 73 lone 0 35 - 0 - Peak 3106 from cnoeabs.peaks (1.51, 2.96, 41.78 ppm; 3.25 A): 3 out of 88 assignments used, quality = 0.99: * HG2 LYS 20 + HE2 LYS 20 OK 85 100 - 85 - 3.9=58, 3068/3.0=8...(17) HG2 LYS 20 + HE3 LYS 20 OK 85 100 - 85 - 3.9=58, 3068/3.0=8...(17) HG2 LYS 43 + HE3 LYS 43 OK 62 72 - 86 - 3.9=57, 3846/3.0=9...(21) HG2 LYS 20 - HE3 LYS 43 OK 28 78 - 36 - 3070=4, 1.8/3080=3...(11) HG2 LYS 43 - HE2 LYS 20 OK 24 97 - 25 - 3847/3.0=2, 3847/3.0=2...(6) HG2 LYS 43 - HE3 LYS 20 OK 24 97 - 25 - 3847/3.0=2, 3847/3.0=2...(6) HG2 LYS 20 - HE3 LYS 73 OK 20 68 - 30 - 3070=3, 1.8/3080=3...(9) HG2 LYS 20 - HE3 LYS 40 OK 19 100 - 19 - 3071=3, 3070/1.8=2...(7) HG2 LYS 20 - HE2 LYS 40 OK 18 99 - 18 - 3070=3, 3071/1.8=2...(7) HG2 LYS 43 - HE3 LYS 40 OK 17 96 - 17 - 3849/1.8=1, 3849=1...(5) HG2 LYS 43 - HE2 LYS 40 OK 16 94 - 17 - 3849/1.8=1, 3849=1...(5) HG2 LYS 43 - HE3 LYS 73 OK 15 63 - 24 - 3848/1.8=2, 3849=2...(6) QB ALA 124 - HE2 LYS 20 lone 2 100 - 2 - QB ALA 124 - HE3 LYS 20 lone 2 100 - 2 - HD3 LYS 17 - HE2 LYS 20 lone 2 90 - 2 - HD3 LYS 17 - HE3 LYS 20 lone 2 90 - 2 - HB3 LEU 14 - HE3 LYS 20 lone 2 96 - 2 - HB3 LEU 14 - HE2 LYS 20 lone 2 96 - 2 - QB ALA 124 - HE3 LYS 43 lone 1 78 - 2 - QB ALA 124 - HE3 LYS 73 lone 1 68 - 2 - HB2 LEU 6 - HE3 LYS 20 lone 1 100 - 1 - HB2 LEU 6 - HE2 LYS 20 lone 1 100 - 1 - HG2 LYS 20 - HE3 LYS 106 lone 1 78 - 1 - HG2 LYS 20 - HE2 LYS 106 lone 1 73 - 1 - HD3 LYS 17 - HE3 LYS 40 lone 1 89 - 1 - HB2 LEU 6 - HE3 LYS 43 lone 1 78 - 1 - HB3 LEU 14 - HE3 LYS 43 lone 1 71 - 1 - HD3 LYS 17 - HE2 LYS 40 lone 1 86 - 1 - HG LEU 38 - HE3 LYS 40 lone 1 76 - 1 - HG LEU 38 - HE2 LYS 40 lone 1 74 - 1 - HG LEU 38 - HE3 LYS 20 lone 1 77 - 1 - HG LEU 38 - HE2 LYS 20 lone 1 77 - 1 - HD3 LYS 17 - HE3 LYS 43 lone 1 64 - 1 - HG LEU 38 - HE3 LYS 43 lone 1 53 - 1 - HG LEU 6 - HE3 LYS 20 lone 0 81 - 1 - HG LEU 6 - HE2 LYS 20 lone 0 81 - 1 - HB2 LEU 6 - HE3 LYS 73 lone 0 68 - 1 - HB3 ARG 30 - HE3 LYS 20 lone 0 96 - 0 - HB3 ARG 30 - HE2 LYS 20 lone 0 96 - 0 - HG2 ARG 30 - HE2 LYS 20 lone 0 94 - 0 - HG2 ARG 30 - HE3 LYS 20 lone 0 94 - 0 - QB ALA 124 - HE3 LYS 40 lone 0 100 - 0 - HB2 LYS 61 - HE3 LYS 20 lone 0 90 - 0 - HB2 LYS 61 - HE2 LYS 20 lone 0 90 - 0 - HB2 LEU 6 - HE3 LYS 40 lone 0 100 - 0 - QB ALA 124 - HE2 LYS 40 lone 0 98 - 0 - HB2 LEU 6 - HE2 LYS 40 lone 0 98 - 0 - HB3 LEU 14 - HE3 LYS 40 lone 0 95 - 0 - HG LEU 38 - HE3 LYS 106 lone 0 53 - 1 - HB3 LEU 14 - HE2 LYS 40 lone 0 93 - 0 - HG LEU 38 - HE2 LYS 106 lone 0 49 - 1 - HG LEU 6 - HE3 LYS 43 lone 0 56 - 1 - HG2 LYS 43 - HE3 LYS 106 lone 0 72 - 0 - HB3 ARG 30 - HE3 LYS 43 lone 0 71 - 0 - HB3 ARG 30 - HE3 LYS 40 lone 0 95 - 0 - HG2 LYS 43 - HE2 LYS 106 lone 0 68 - 0 - HG2 ARG 30 - HE3 LYS 40 lone 0 93 - 0 - HB3 ARG 30 - HE2 LYS 40 lone 0 93 - 0 - HG2 ARG 30 - HE3 LYS 43 lone 0 69 - 0 - HD3 LYS 17 - HE3 LYS 73 lone 0 55 - 1 - HG2 ARG 30 - HE2 LYS 40 lone 0 91 - 0 - HB3 LEU 14 - HE3 LYS 106 lone 0 71 - 0 - HB2 LYS 61 - HE3 LYS 40 lone 0 89 - 0 - HB2 LYS 61 - HE3 LYS 43 lone 0 64 - 0 - HB2 LYS 61 - HE2 LYS 40 lone 0 86 - 0 - QB ALA 124 - HE3 LYS 106 lone 0 78 - 0 - HB3 LEU 14 - HE2 LYS 106 lone 0 66 - 0 - HB3 LEU 14 - HE3 LYS 73 lone 0 61 - 0 - QB ALA 124 - HE2 LYS 106 lone 0 73 - 0 - HG LEU 6 - HE3 LYS 40 lone 0 80 - 0 - HB2 LEU 6 - HE3 LYS 106 lone 0 78 - 0 - HG LEU 6 - HE2 LYS 40 lone 0 77 - 0 - HB2 LEU 6 - HE2 LYS 106 lone 0 73 - 0 - HG LEU 38 - HE3 LYS 73 lone 0 45 - 0 - HB3 ARG 30 - HE3 LYS 73 lone 0 61 - 0 - HB3 ARG 30 - HE3 LYS 106 lone 0 71 - 0 - HG2 ARG 30 - HE3 LYS 73 lone 0 59 - 0 - HD3 LYS 17 - HE3 LYS 106 lone 0 64 - 0 - HG2 ARG 30 - HE3 LYS 106 lone 0 69 - 0 - HB3 ARG 30 - HE2 LYS 106 lone 0 66 - 0 - HG LEU 6 - HE3 LYS 73 lone 0 48 - 0 - HD3 LYS 17 - HE2 LYS 106 lone 0 60 - 0 - HG2 ARG 30 - HE2 LYS 106 lone 0 64 - 0 - HB2 LYS 61 - HE3 LYS 106 lone 0 64 - 0 - HG LEU 6 - HE3 LYS 106 lone 0 56 - 0 - HB2 LYS 61 - HE3 LYS 73 lone 0 55 - 0 - HB2 LYS 61 - HE2 LYS 106 lone 0 60 - 0 - HG LEU 6 - HE2 LYS 106 lone 0 52 - 0 - Peak 3107 from cnoeabs.peaks (1.48, 2.96, 41.78 ppm; 3.02 A): 3 out of 112 assignments used, quality = 0.98: * HG3 LYS 20 + HE2 LYS 20 OK 78 100 - 78 - 3.9=47, 3078/3.0=7...(17) HG3 LYS 20 + HE3 LYS 20 OK 78 100 - 78 - 3.9=47, 3078/3.0=7...(17) HG3 LYS 73 + HE3 LYS 73 OK 55 68 - 82 - 3.8=51, 5170/2.9=8...(17) HG2 LYS 106 - HE3 LYS 106 OK 40 50 - 80 - 3.6=59, 1.8/6530=8...(22) HG2 LYS 106 - HE2 LYS 106 OK 37 46 - 80 - 3.6=59, 1.8/6530=8...(22) HG3 LYS 20 - HE3 LYS 43 OK 23 78 - 29 - 3081=3, 1.8/3071=3...(10) HG3 LYS 73 - HE2 LYS 20 OK 22 100 - 23 - 5170/3.0=2, 5170/3.0=2...(6) HG3 LYS 73 - HE3 LYS 20 OK 22 100 - 23 - 5170/3.0=2, 5170/3.0=2...(6) HG3 LYS 73 - HE3 LYS 43 OK 21 78 - 27 - 5171/1.8=3, 5172=2...(9) HG3 LYS 20 - HE3 LYS 73 OK 18 68 - 27 - 3080=2, 1.8/3070=2...(7) HG3 LYS 20 - HE3 LYS 40 OK 16 100 - 16 - 3080=2, 1.8/3071=2...(5) HG3 LYS 20 - HE2 LYS 40 OK 15 99 - 16 - 3080=2, 1.8/3070=2...(5) HG3 LYS 73 - HE3 LYS 40 lone 8 100 - 8 - HG3 LYS 73 - HE2 LYS 40 lone 8 98 - 8 - HG2 LYS 39 - HE3 LYS 40 lone 4 61 - 7 - HG2 LYS 39 - HE2 LYS 40 lone 4 58 - 7 - HG2 LYS 39 - HE3 LYS 43 lone 2 41 - 5 - HB3 LEU 45 - HE3 LYS 20 lone 2 92 - 2 - HB3 LEU 45 - HE2 LYS 20 lone 2 92 - 2 - HB3 LEU 45 - HE3 LYS 73 lone 2 57 - 3 - HG2 LYS 39 - HE2 LYS 20 lone 1 61 - 2 - HG2 LYS 39 - HE3 LYS 20 lone 1 61 - 2 - HB2 LEU 74 - HE3 LYS 73 lone 1 57 - 2 - HG3 ARG 118 - HE3 LYS 20 lone 1 97 - 1 - HG3 ARG 118 - HE2 LYS 20 lone 1 97 - 1 - HG2 LYS 39 - HE3 LYS 73 lone 1 35 - 3 - HG2 LYS 106 - HE3 LYS 20 lone 1 73 - 1 - HG2 LYS 106 - HE2 LYS 20 lone 1 73 - 1 - HB3 LEU 45 - HE3 LYS 43 lone 1 66 - 1 - HG12 ILE 57 - HE3 LYS 20 lone 1 73 - 1 - HG12 ILE 57 - HE2 LYS 20 lone 1 73 - 1 - HG3 LYS 20 - HE3 LYS 106 lone 1 78 - 1 - HG3 LYS 20 - HE2 LYS 106 lone 1 73 - 1 - HB3 LEU 38 - HE3 LYS 20 lone 1 77 - 1 - HB3 LEU 38 - HE2 LYS 20 lone 1 77 - 1 - HB3 LEU 6 - HE2 LYS 20 lone 1 65 - 1 - HB3 LEU 6 - HE3 LYS 20 lone 1 65 - 1 - HB2 LEU 74 - HE3 LYS 20 lone 0 92 - 0 - HB2 LEU 74 - HE2 LYS 20 lone 0 92 - 0 - HG12 ILE 7 - HE3 LYS 106 lone 0 47 - 1 - HG12 ILE 7 - HE2 LYS 106 lone 0 44 - 1 - HB3 LEU 38 - HE3 LYS 106 lone 0 53 - 1 - HB3 LEU 38 - HE3 LYS 40 lone 0 76 - 1 - HB3 LEU 38 - HE2 LYS 40 lone 0 74 - 1 - HB3 LEU 45 - HE3 LYS 40 lone 0 91 - 0 - HB3 LEU 38 - HE2 LYS 106 lone 0 49 - 1 - HG3 ARG 118 - HE3 LYS 106 lone 0 72 - 0 - HD2 LYS 53 - HE3 LYS 20 lone 0 99 - 0 - HD2 LYS 53 - HE2 LYS 20 lone 0 99 - 0 - HG3 ARG 118 - HE2 LYS 40 lone 0 94 - 0 - HB3 LEU 45 - HE2 LYS 40 lone 0 89 - 0 - HG2 LYS 106 - HE2 LYS 40 lone 0 70 - 0 - HG3 ARG 118 - HE3 LYS 73 lone 0 63 - 1 - HG3 ARG 118 - HE3 LYS 40 lone 0 96 - 0 - HG3 ARG 118 - HE2 LYS 106 lone 0 68 - 0 - HG2 LYS 106 - HE3 LYS 40 lone 0 73 - 0 - HG2 LYS 39 - HE3 LYS 106 lone 0 41 - 1 - HG2 LYS 39 - HE2 LYS 106 lone 0 38 - 1 - HG3 LYS 49 - HE2 LYS 20 lone 0 65 - 0 - HG3 LYS 49 - HE3 LYS 20 lone 0 65 - 0 - HG2 LYS 49 - HE2 LYS 20 lone 0 65 - 0 - HG2 LYS 49 - HE3 LYS 20 lone 0 65 - 0 - HD2 LYS 53 - HE3 LYS 40 lone 0 99 - 0 - HG12 ILE 57 - HE3 LYS 106 lone 0 50 - 1 - HB2 LEU 74 - HE2 LYS 40 lone 0 89 - 0 - HD2 LYS 53 - HE2 LYS 40 lone 0 97 - 0 - HB2 LEU 74 - HE3 LYS 40 lone 0 91 - 0 - HG3 LYS 73 - HE3 LYS 106 lone 0 78 - 0 - HB3 LEU 6 - HE3 LYS 43 lone 0 44 - 1 - HG3 ARG 118 - HE3 LYS 43 lone 0 72 - 0 - HG12 ILE 7 - HE3 LYS 20 lone 0 70 - 0 - HG12 ILE 7 - HE2 LYS 20 lone 0 70 - 0 - HG12 ILE 57 - HE2 LYS 106 lone 0 46 - 1 - HG3 LYS 73 - HE2 LYS 106 lone 0 73 - 0 - HB2 LEU 74 - HE3 LYS 106 lone 0 66 - 0 - HB2 LEU 74 - HE3 LYS 43 lone 0 66 - 0 - HD2 LYS 53 - HE3 LYS 73 lone 0 66 - 0 - HD2 LYS 53 - HE3 LYS 106 lone 0 76 - 0 - HB3 LEU 38 - HE3 LYS 73 lone 0 45 - 0 - HB2 LEU 74 - HE2 LYS 106 lone 0 62 - 0 - HD2 LYS 53 - HE3 LYS 43 lone 0 76 - 0 - HB3 LEU 6 - HE3 LYS 40 lone 0 65 - 0 - HD2 LYS 53 - HE2 LYS 106 lone 0 71 - 0 - HG12 ILE 7 - HE3 LYS 40 lone 0 69 - 0 - HB3 LEU 6 - HE2 LYS 40 lone 0 62 - 0 - HB3 LEU 38 - HE3 LYS 43 lone 0 53 - 0 - HG12 ILE 57 - HE3 LYS 40 lone 0 73 - 0 - HB3 LEU 45 - HE3 LYS 106 lone 0 66 - 0 - HG12 ILE 7 - HE2 LYS 40 lone 0 66 - 0 - HG12 ILE 57 - HE2 LYS 40 lone 0 70 - 0 - HG2 LYS 49 - HE3 LYS 40 lone 0 65 - 0 - HG3 LYS 49 - HE3 LYS 40 lone 0 65 - 0 - HB3 LEU 6 - HE3 LYS 73 lone 0 37 - 0 - HB3 LEU 45 - HE2 LYS 106 lone 0 62 - 0 - HG3 LYS 49 - HE2 LYS 40 lone 0 62 - 0 - HG2 LYS 49 - HE2 LYS 40 lone 0 62 - 0 - HG2 LYS 106 - HE3 LYS 43 lone 0 50 - 0 - HG12 ILE 7 - HE3 LYS 43 lone 0 47 - 0 - HG3 LYS 49 - HE3 LYS 43 lone 0 44 - 0 - HG2 LYS 49 - HE3 LYS 43 lone 0 44 - 0 - HG12 ILE 57 - HE3 LYS 43 lone 0 50 - 0 - HG2 LYS 106 - HE3 LYS 73 lone 0 43 - 0 - HG12 ILE 57 - HE3 LYS 73 lone 0 43 - 0 - HG12 ILE 7 - HE3 LYS 73 lone 0 40 - 0 - HB3 LEU 6 - HE3 LYS 106 lone 0 44 - 0 - HG2 LYS 49 - HE3 LYS 73 lone 0 37 - 0 - HG3 LYS 49 - HE3 LYS 73 lone 0 37 - 0 - HG2 LYS 49 - HE3 LYS 106 lone 0 44 - 0 - HG3 LYS 49 - HE3 LYS 106 lone 0 44 - 0 - HB3 LEU 6 - HE2 LYS 106 lone 0 41 - 0 - HG2 LYS 49 - HE2 LYS 106 lone 0 41 - 0 - HG3 LYS 49 - HE2 LYS 106 lone 0 41 - 0 - Peak 3108 from cnoeabs.peaks (1.69, 2.96, 41.78 ppm; 2.40 A): 12 out of 192 assignments used, quality = 1.00: HD2 LYS 20 + HE3 LYS 20 OK 70 100 - 70 - 3.0=52, 3.0/3070=3...(13) * HD2 LYS 20 + HE2 LYS 20 OK 70 100 - 70 - 3.0=52, 3.0/3070=3...(13) HD3 LYS 20 + HE2 LYS 20 OK 70 100 - 70 - 3.0=52, 3.0/3070=3...(13) HD3 LYS 20 + HE3 LYS 20 OK 70 100 - 70 - 3.0=52, 3.0/3070=3...(13) HD2 LYS 40 + HE3 LYS 40 OK 69 98 - 71 - 3.0=53, 1.8/3717=4...(18) HD3 LYS 40 + HE3 LYS 40 OK 68 96 - 71 - 3.0=53, 1.8/3717=4...(18) HD2 LYS 40 + HE2 LYS 40 OK 67 96 - 71 - 3.0=53, 1.8/3717=4...(18) HD3 LYS 40 + HE2 LYS 40 OK 67 94 - 71 - 3.0=53, 1.8/3717=4...(18) HD3 LYS 43 + HE3 LYS 43 OK 51 76 - 66 - 3.0=52, 3847/3.9=3...(11) HD2 LYS 73 + HE3 LYS 73 OK 47 67 - 70 - 2.9=56, 5169/3.8=3...(14) HD3 LYS 73 + HE3 LYS 73 OK 46 66 - 70 - 2.9=56, 5169/3.8=3...(14) HD2 LYS 43 + HE3 LYS 43 OK 46 69 - 66 - 3.0=52, 3847/3.9=3...(11) HD2 LYS 16 - HE2 LYS 40 OK 13 98 - 14 - 3694/3.9=1 HD3 LYS 16 - HE2 LYS 40 OK 13 99 - 14 - 3694/3.9=1 HD2 LYS 16 - HE3 LYS 40 OK 13 100 - 13 - 3694/3.9=1 HD3 LYS 16 - HE3 LYS 40 OK 13 100 - 13 - 3694/3.9=1 HD2 LYS 20 - HE3 LYS 43 OK 12 78 - 16 - 3.0/3071=1, 3.0/3080=1 HD3 LYS 20 - HE3 LYS 43 OK 12 78 - 16 - 3.0/3070=1, 3.0/3080=1 HD2 LYS 40 - HE2 LYS 20 OK 11 98 - 11 - HD2 LYS 40 - HE3 LYS 20 OK 11 98 - 11 - HD3 LYS 40 - HE3 LYS 20 OK 11 97 - 11 - HD3 LYS 40 - HE2 LYS 20 OK 11 97 - 11 - HD2 LYS 73 - HE2 LYS 20 OK 10 100 - 10 - HD2 LYS 73 - HE3 LYS 20 OK 10 100 - 10 - HD3 LYS 73 - HE3 LYS 20 OK 10 99 - 10 - HD3 LYS 73 - HE2 LYS 20 OK 10 99 - 10 - HD2 LYS 20 - HE3 LYS 73 poor 10 68 - 15 - HD2 LYS 20 - HE3 LYS 40 lone 10 100 - 10 - HD3 LYS 20 - HE3 LYS 73 poor 10 68 - 15 - HD3 LYS 20 - HE3 LYS 40 lone 10 100 - 10 - HD3 LYS 43 - HE3 LYS 20 lone 10 99 - 10 - HD3 LYS 43 - HE2 LYS 20 lone 10 99 - 10 - HD2 LYS 20 - HE2 LYS 40 lone 10 99 - 10 - HD3 LYS 20 - HE2 LYS 40 lone 10 99 - 10 - HD2 LYS 43 - HE2 LYS 20 lone 9 94 - 10 - HD2 LYS 43 - HE3 LYS 20 lone 9 94 - 10 - HD2 LYS 73 - HE3 LYS 43 poor 9 77 - 12 - HD3 LYS 73 - HE3 LYS 43 poor 9 76 - 12 - HD2 LYS 40 - HE3 LYS 43 poor 9 74 - 12 - 2.9/3696=1 HD3 LYS 40 - HE3 LYS 43 poor 8 72 - 12 - 2.9/3696=1 HD3 LYS 43 - HE3 LYS 40 lone 8 99 - 8 - HD3 LYS 43 - HE2 LYS 40 lone 8 97 - 8 - HD2 LYS 43 - HE3 LYS 40 lone 7 93 - 8 - HD2 LYS 43 - HE2 LYS 40 lone 7 91 - 8 - HD3 LYS 43 - HE3 LYS 73 lone 6 66 - 10 - HD3 LYS 96 - HE2 LYS 20 lone 6 99 - 6 - HD3 LYS 96 - HE3 LYS 20 lone 6 99 - 6 - HD2 LYS 96 - HE2 LYS 20 lone 6 97 - 6 - HD2 LYS 96 - HE3 LYS 20 lone 6 97 - 6 - HD2 LYS 43 - HE3 LYS 73 lone 6 59 - 10 - HD2 LYS 73 - HE3 LYS 40 lone 4 99 - 4 - HD3 LYS 73 - HE3 LYS 40 lone 4 99 - 4 - HD2 LYS 40 - HE3 LYS 73 lone 4 64 - 7 - HD3 LYS 40 - HE3 LYS 73 lone 4 63 - 7 - HD2 LYS 73 - HE2 LYS 40 lone 4 98 - 4 - HD3 LYS 73 - HE2 LYS 40 lone 4 97 - 4 - HD3 LYS 96 - HE3 LYS 73 lone 4 65 - 6 - HD3 LYS 96 - HE3 LYS 43 lone 4 75 - 5 - HD2 LYS 96 - HE3 LYS 73 lone 4 63 - 6 - HD2 LYS 96 - HE3 LYS 43 lone 4 72 - 5 - HD3 LYS 96 - HE3 LYS 40 lone 4 98 - 4 - HD2 LYS 96 - HE3 LYS 40 lone 3 96 - 4 - HD3 LYS 96 - HE2 LYS 40 lone 3 97 - 4 - HG3 LYS 39 - HE2 LYS 40 lone 3 86 - 4 - HG3 LYS 39 - HE3 LYS 40 lone 3 89 - 4 - HD2 LYS 96 - HE2 LYS 40 lone 3 94 - 4 - HD2 LYS 16 - HE3 LYS 20 lone 2 100 - 2 - HD2 LYS 16 - HE2 LYS 20 lone 2 100 - 2 - HD3 LYS 16 - HE3 LYS 20 lone 2 100 - 2 - HD3 LYS 16 - HE2 LYS 20 lone 2 100 - 2 - HD2 LYS 44 - HE3 LYS 43 lone 2 59 - 3 - HG3 LYS 39 - HE3 LYS 43 lone 2 64 - 3 - HD3 LYS 44 - HE3 LYS 43 lone 2 53 - 3 - HD2 LYS 44 - HE3 LYS 73 lone 1 50 - 3 - HD3 LYS 39 - HE2 LYS 40 lone 1 66 - 2 - HD3 LYS 39 - HE3 LYS 40 lone 1 69 - 2 - HD2 LYS 39 - HE2 LYS 40 lone 1 62 - 2 - HD3 LYS 44 - HE3 LYS 73 lone 1 45 - 3 - HD2 LYS 39 - HE3 LYS 40 lone 1 65 - 2 - HD2 LYS 17 - HE3 LYS 40 lone 1 96 - 1 - HG3 LYS 39 - HE3 LYS 20 lone 1 90 - 1 - HG3 LYS 39 - HE2 LYS 20 lone 1 90 - 1 - HD2 LYS 17 - HE2 LYS 40 lone 1 94 - 1 - HG3 LYS 39 - HE3 LYS 73 lone 1 55 - 2 - HD2 LYS 16 - HE3 LYS 73 lone 1 68 - 1 - HD3 LYS 16 - HE3 LYS 73 lone 1 68 - 1 - HD2 LYS 17 - HE3 LYS 20 lone 1 97 - 1 - HD2 LYS 17 - HE2 LYS 20 lone 1 97 - 1 - HG3 ARG 95 - HE3 LYS 40 lone 1 86 - 1 - HG3 ARG 95 - HE2 LYS 40 lone 1 83 - 1 - HD2 LYS 44 - HE2 LYS 20 lone 1 84 - 1 - HD2 LYS 44 - HE3 LYS 20 lone 1 84 - 1 - HD3 LYS 39 - HE3 LYS 43 lone 1 47 - 2 - HD2 LYS 16 - HE3 LYS 43 lone 1 78 - 1 - HD3 LYS 16 - HE3 LYS 43 lone 1 78 - 1 - HD2 LYS 39 - HE3 LYS 43 lone 1 44 - 2 - HG3 ARG 95 - HE3 LYS 20 lone 1 87 - 1 - HG3 ARG 95 - HE2 LYS 20 lone 1 87 - 1 - HD3 LYS 44 - HE2 LYS 20 lone 1 77 - 1 - HD3 LYS 44 - HE3 LYS 20 lone 1 77 - 1 - HD3 LYS 39 - HE3 LYS 20 lone 1 70 - 1 - HD3 LYS 39 - HE2 LYS 20 lone 1 70 - 1 - HD2 LYS 39 - HE3 LYS 20 lone 1 65 - 1 - HD2 LYS 39 - HE2 LYS 20 lone 1 65 - 1 - HD2 LYS 20 - HE3 LYS 106 lone 0 78 - 1 - HD3 LYS 20 - HE3 LYS 106 lone 0 78 - 1 - HD3 LYS 39 - HE3 LYS 73 lone 0 40 - 1 - HD2 LYS 20 - HE2 LYS 106 lone 0 73 - 1 - HD3 LYS 20 - HE2 LYS 106 lone 0 73 - 1 - HD2 LYS 39 - HE3 LYS 73 lone 0 37 - 1 - HD2 LYS 44 - HE3 LYS 40 lone 0 83 - 0 - HG3 LYS 123 - HE3 LYS 40 lone 0 89 - 0 - HG3 LYS 123 - HE2 LYS 40 lone 0 86 - 0 - HG3 ARG 95 - HE3 LYS 43 lone 0 62 - 1 - HG12 ILE 71 - HE3 LYS 73 lone 0 64 - 1 - HD2 LYS 44 - HE2 LYS 40 lone 0 80 - 0 - HG3 ARG 95 - HE3 LYS 73 lone 0 53 - 1 - HD3 LYS 44 - HE3 LYS 40 lone 0 76 - 0 - HD2 LYS 17 - HE3 LYS 43 lone 0 72 - 0 - HG3 LYS 123 - HE3 LYS 20 lone 0 90 - 0 - HG3 LYS 123 - HE2 LYS 20 lone 0 90 - 0 - HD2 LYS 40 - HE3 LYS 106 lone 0 74 - 0 - HD3 LYS 40 - HE3 LYS 106 lone 0 72 - 0 - HD3 LYS 44 - HE2 LYS 40 lone 0 74 - 0 - HD2 LYS 40 - HE2 LYS 106 lone 0 69 - 0 - HD3 LYS 40 - HE2 LYS 106 lone 0 68 - 0 - HB ILE 56 - HE2 LYS 20 lone 0 100 - 0 - HB ILE 56 - HE3 LYS 20 lone 0 100 - 0 - HG12 ILE 71 - HE3 LYS 106 lone 0 74 - 0 - HD3 LYS 96 - HE3 LYS 106 lone 0 75 - 0 - HG12 ILE 71 - HE2 LYS 20 lone 0 98 - 0 - HG12 ILE 71 - HE3 LYS 20 lone 0 98 - 0 - HG12 ILE 71 - HE2 LYS 106 lone 0 69 - 0 - HD2 LYS 96 - HE3 LYS 106 lone 0 72 - 0 - HG3 LYS 123 - HE3 LYS 43 lone 0 64 - 0 - HB ILE 54 - HE3 LYS 20 lone 0 98 - 0 - HB ILE 54 - HE2 LYS 20 lone 0 98 - 0 - HD3 LYS 96 - HE2 LYS 106 lone 0 70 - 0 - HB ILE 54 - HE3 LYS 40 lone 0 98 - 0 - HD2 LYS 96 - HE2 LYS 106 lone 0 68 - 0 - HB ILE 54 - HE2 LYS 40 lone 0 96 - 0 - HB ILE 54 - HE3 LYS 106 lone 0 74 - 0 - HD3 LYS 16 - HE3 LYS 106 lone 0 78 - 0 - HD2 LYS 16 - HE3 LYS 106 lone 0 78 - 0 - HB ILE 54 - HE2 LYS 106 lone 0 69 - 0 - HG3 LYS 39 - HE3 LYS 106 lone 0 64 - 0 - HG12 ILE 71 - HE3 LYS 40 lone 0 98 - 0 - HD3 LYS 16 - HE2 LYS 106 lone 0 73 - 0 - HD2 LYS 16 - HE2 LYS 106 lone 0 73 - 0 - HG12 ILE 71 - HE2 LYS 40 lone 0 96 - 0 - HD3 LYS 43 - HE3 LYS 106 lone 0 76 - 0 - HD2 LYS 17 - HE3 LYS 73 lone 0 63 - 0 - HG3 LYS 39 - HE2 LYS 106 lone 0 60 - 0 - HB ILE 56 - HE3 LYS 40 lone 0 100 - 0 - HB ILE 56 - HE2 LYS 40 lone 0 99 - 0 - HG LEU 74 - HE2 LYS 20 lone 0 73 - 0 - HG LEU 74 - HE3 LYS 20 lone 0 73 - 0 - HG3 LYS 123 - HE3 LYS 73 lone 0 55 - 0 - HD3 LYS 43 - HE2 LYS 106 lone 0 71 - 0 - HD2 LYS 73 - HE3 LYS 106 lone 0 77 - 0 - HD3 LYS 73 - HE3 LYS 106 lone 0 76 - 0 - HG LEU 74 - HE3 LYS 73 lone 0 43 - 0 - HB ILE 56 - HE3 LYS 43 lone 0 78 - 0 - HD2 LYS 43 - HE3 LYS 106 lone 0 69 - 0 - HG12 ILE 71 - HE3 LYS 43 lone 0 74 - 0 - HD2 LYS 73 - HE2 LYS 106 lone 0 72 - 0 - HD3 LYS 73 - HE2 LYS 106 lone 0 71 - 0 - HD2 LYS 43 - HE2 LYS 106 lone 0 64 - 0 - HG3 LYS 123 - HE3 LYS 106 lone 0 64 - 0 - HG3 LYS 123 - HE2 LYS 106 lone 0 60 - 0 - HG LEU 74 - HE3 LYS 40 lone 0 73 - 0 - HB ILE 54 - HE3 LYS 43 lone 0 74 - 0 - HG LEU 74 - HE2 LYS 40 lone 0 70 - 0 - HD2 LYS 17 - HE3 LYS 106 lone 0 72 - 0 - HD3 LYS 39 - HE3 LYS 106 lone 0 47 - 0 - HB ILE 56 - HE3 LYS 73 lone 0 68 - 0 - HB ILE 54 - HE3 LYS 73 lone 0 64 - 0 - HD2 LYS 44 - HE3 LYS 106 lone 0 59 - 0 - HB ILE 56 - HE3 LYS 106 lone 0 78 - 0 - HD3 LYS 39 - HE2 LYS 106 lone 0 44 - 0 - HD2 LYS 17 - HE2 LYS 106 lone 0 68 - 0 - HD2 LYS 39 - HE3 LYS 106 lone 0 44 - 0 - HB ILE 56 - HE2 LYS 106 lone 0 73 - 0 - HD2 LYS 44 - HE2 LYS 106 lone 0 55 - 0 - HD2 LYS 39 - HE2 LYS 106 lone 0 41 - 0 - HD3 LYS 44 - HE3 LYS 106 lone 0 53 - 0 - HD3 LYS 44 - HE2 LYS 106 lone 0 49 - 0 - HG3 ARG 95 - HE3 LYS 106 lone 0 62 - 0 - HG LEU 74 - HE3 LYS 43 lone 0 50 - 0 - HG3 ARG 95 - HE2 LYS 106 lone 0 57 - 0 - HG LEU 74 - HE3 LYS 106 lone 0 50 - 0 - HG LEU 74 - HE2 LYS 106 lone 0 46 - 0 - Peak 3109 from cnoeabs.peaks (1.69, 2.96, 41.78 ppm; 2.40 A): 12 out of 192 assignments used, quality = 1.00: HD2 LYS 20 + HE3 LYS 20 OK 70 100 - 70 - 3.0=52, 3.0/3071=3...(13) HD2 LYS 20 + HE2 LYS 20 OK 70 100 - 70 - 3.0=52, 3.0/3071=3...(13) * HD3 LYS 20 + HE2 LYS 20 OK 70 100 - 70 - 3.0=52, 3.0/3070=3...(13) HD3 LYS 20 + HE3 LYS 20 OK 70 100 - 70 - 3.0=52, 3.0/3070=3...(13) HD2 LYS 40 + HE3 LYS 40 OK 70 98 - 71 - 3.0=53, 1.8/3717=4...(18) HD3 LYS 40 + HE3 LYS 40 OK 69 98 - 71 - 3.0=53, 1.8/3717=4...(18) HD2 LYS 40 + HE2 LYS 40 OK 68 97 - 71 - 3.0=53, 1.8/3717=4...(18) HD3 LYS 40 + HE2 LYS 40 OK 67 96 - 71 - 3.0=53, 1.8/3717=4...(18) HD3 LYS 43 + HE3 LYS 43 OK 51 77 - 66 - 3.0=52, 3847/3.9=3...(11) HD2 LYS 73 + HE3 LYS 73 OK 47 68 - 70 - 2.9=56, 5170/3.8=3...(14) HD2 LYS 43 + HE3 LYS 43 OK 47 71 - 66 - 3.0=52, 3847/3.9=3...(11) HD3 LYS 73 + HE3 LYS 73 OK 47 67 - 70 - 2.9=56, 5170/3.8=3...(14) HD2 LYS 16 - HE2 LYS 40 OK 14 99 - 14 - 3694/3.9=1, 3707=1 HD3 LYS 16 - HE2 LYS 40 OK 13 98 - 14 - 3694/3.9=1 HD2 LYS 16 - HE3 LYS 40 OK 13 100 - 13 - 3694/3.9=1 HD3 LYS 16 - HE3 LYS 40 OK 13 100 - 13 - 3694/3.9=1 HD3 LYS 20 - HE3 LYS 43 OK 12 78 - 16 - 3.0/3070=1, 3.0/3080=1 HD2 LYS 20 - HE3 LYS 43 OK 12 78 - 16 - 3.0/3071=1, 3.0/3080=1 HD2 LYS 40 - HE3 LYS 20 OK 11 99 - 11 - HD2 LYS 40 - HE2 LYS 20 OK 11 99 - 11 - HD3 LYS 40 - HE3 LYS 20 OK 11 98 - 11 - HD3 LYS 40 - HE2 LYS 20 OK 11 98 - 11 - HD2 LYS 73 - HE2 LYS 20 OK 10 100 - 10 - HD2 LYS 73 - HE3 LYS 20 OK 10 100 - 10 - HD3 LYS 73 - HE2 LYS 20 OK 10 100 - 10 - HD3 LYS 73 - HE3 LYS 20 OK 10 100 - 10 - HD3 LYS 20 - HE3 LYS 73 poor 10 68 - 15 - HD2 LYS 20 - HE3 LYS 40 lone 10 100 - 10 - HD3 LYS 20 - HE3 LYS 40 lone 10 100 - 10 - HD2 LYS 20 - HE3 LYS 73 poor 10 68 - 15 - HD3 LYS 43 - HE2 LYS 20 lone 10 100 - 10 - HD3 LYS 43 - HE3 LYS 20 lone 10 100 - 10 - HD2 LYS 20 - HE2 LYS 40 lone 10 99 - 10 - HD3 LYS 20 - HE2 LYS 40 lone 10 99 - 10 - HD2 LYS 43 - HE2 LYS 20 lone 9 96 - 10 - HD2 LYS 43 - HE3 LYS 20 lone 9 96 - 10 - HD2 LYS 73 - HE3 LYS 43 poor 9 78 - 12 - HD3 LYS 73 - HE3 LYS 43 poor 9 77 - 12 - HD2 LYS 40 - HE3 LYS 43 poor 9 75 - 12 - 2.9/3696=1 HD3 LYS 40 - HE3 LYS 43 poor 9 74 - 12 - 2.9/3696=1 HD3 LYS 43 - HE3 LYS 40 lone 8 99 - 8 - HD3 LYS 43 - HE2 LYS 40 lone 8 98 - 8 - HD2 LYS 43 - HE3 LYS 40 lone 8 95 - 8 - HD2 LYS 43 - HE2 LYS 40 lone 7 93 - 8 - HD3 LYS 43 - HE3 LYS 73 lone 6 67 - 10 - HD3 LYS 96 - HE2 LYS 20 lone 6 99 - 6 - HD3 LYS 96 - HE3 LYS 20 lone 6 99 - 6 - HD2 LYS 96 - HE3 LYS 20 lone 6 98 - 6 - HD2 LYS 96 - HE2 LYS 20 lone 6 98 - 6 - HD2 LYS 43 - HE3 LYS 73 lone 6 61 - 10 - HD2 LYS 40 - HE3 LYS 73 lone 4 65 - 7 - HD2 LYS 73 - HE3 LYS 40 lone 4 100 - 4 - HD3 LYS 73 - HE3 LYS 40 lone 4 99 - 4 - HD3 LYS 40 - HE3 LYS 73 lone 4 64 - 7 - HD2 LYS 73 - HE2 LYS 40 lone 4 98 - 4 - HD3 LYS 73 - HE2 LYS 40 lone 4 98 - 4 - HD3 LYS 96 - HE3 LYS 73 lone 4 66 - 6 - HD3 LYS 96 - HE3 LYS 43 lone 4 76 - 5 - HD2 LYS 96 - HE3 LYS 73 lone 4 64 - 6 - HD2 LYS 96 - HE3 LYS 43 lone 4 74 - 5 - HD3 LYS 96 - HE3 LYS 40 lone 4 99 - 4 - HD2 LYS 96 - HE3 LYS 40 lone 4 98 - 4 - HD3 LYS 96 - HE2 LYS 40 lone 4 97 - 4 - HD2 LYS 96 - HE2 LYS 40 lone 3 96 - 4 - HG3 LYS 39 - HE2 LYS 40 lone 3 83 - 4 - HG3 LYS 39 - HE3 LYS 40 lone 3 86 - 4 - HD2 LYS 16 - HE2 LYS 20 lone 2 100 - 2 - HD2 LYS 16 - HE3 LYS 20 lone 2 100 - 2 - HD3 LYS 16 - HE3 LYS 20 lone 2 100 - 2 - HD3 LYS 16 - HE2 LYS 20 lone 2 100 - 2 - HG3 LYS 39 - HE3 LYS 43 lone 2 62 - 3 - HD2 LYS 44 - HE3 LYS 43 lone 2 56 - 3 - HD3 LYS 44 - HE3 LYS 43 lone 1 50 - 3 - HD2 LYS 44 - HE3 LYS 73 lone 1 48 - 3 - HD3 LYS 39 - HE2 LYS 40 lone 1 62 - 2 - HD3 LYS 39 - HE3 LYS 40 lone 1 65 - 2 - HD3 LYS 44 - HE3 LYS 73 lone 1 43 - 3 - HD2 LYS 39 - HE2 LYS 40 lone 1 58 - 2 - HD2 LYS 39 - HE3 LYS 40 lone 1 61 - 2 - HD2 LYS 17 - HE3 LYS 40 lone 1 98 - 1 - HD2 LYS 17 - HE2 LYS 40 lone 1 96 - 1 - HD2 LYS 16 - HE3 LYS 73 lone 1 68 - 1 - HG3 LYS 39 - HE2 LYS 20 lone 1 87 - 1 - HG3 LYS 39 - HE3 LYS 20 lone 1 87 - 1 - HD3 LYS 16 - HE3 LYS 73 lone 1 68 - 1 - HD2 LYS 17 - HE3 LYS 20 lone 1 98 - 1 - HD2 LYS 17 - HE2 LYS 20 lone 1 98 - 1 - HG3 LYS 39 - HE3 LYS 73 lone 1 53 - 2 - HG3 ARG 95 - HE3 LYS 40 lone 1 89 - 1 - HG3 ARG 95 - HE2 LYS 40 lone 1 86 - 1 - HD2 LYS 44 - HE2 LYS 20 lone 1 81 - 1 - HD2 LYS 44 - HE3 LYS 20 lone 1 81 - 1 - HG3 ARG 95 - HE3 LYS 20 lone 1 90 - 1 - HG3 ARG 95 - HE2 LYS 20 lone 1 90 - 1 - HD2 LYS 16 - HE3 LYS 43 lone 1 78 - 1 - HD3 LYS 16 - HE3 LYS 43 lone 1 78 - 1 - HD3 LYS 39 - HE3 LYS 43 lone 1 44 - 2 - HD3 LYS 44 - HE3 LYS 20 lone 1 73 - 1 - HD3 LYS 44 - HE2 LYS 20 lone 1 73 - 1 - HD2 LYS 39 - HE3 LYS 43 lone 1 41 - 2 - HD3 LYS 39 - HE3 LYS 20 lone 1 65 - 1 - HD3 LYS 39 - HE2 LYS 20 lone 1 65 - 1 - HD2 LYS 39 - HE2 LYS 20 lone 1 61 - 1 - HD2 LYS 39 - HE3 LYS 20 lone 1 61 - 1 - HD3 LYS 20 - HE3 LYS 106 lone 0 78 - 1 - HD2 LYS 20 - HE3 LYS 106 lone 0 78 - 1 - HD3 LYS 20 - HE2 LYS 106 lone 0 73 - 1 - HD2 LYS 20 - HE2 LYS 106 lone 0 73 - 1 - HG3 ARG 95 - HE3 LYS 43 lone 0 64 - 1 - HD3 LYS 39 - HE3 LYS 73 lone 0 37 - 1 - HG3 LYS 123 - HE3 LYS 40 lone 0 86 - 0 - HG3 LYS 123 - HE2 LYS 40 lone 0 83 - 0 - HD2 LYS 44 - HE3 LYS 40 lone 0 80 - 0 - HG12 ILE 71 - HE3 LYS 73 lone 0 63 - 1 - HD2 LYS 39 - HE3 LYS 73 lone 0 35 - 1 - HG3 ARG 95 - HE3 LYS 73 lone 0 55 - 1 - HD2 LYS 44 - HE2 LYS 40 lone 0 77 - 0 - HD2 LYS 17 - HE3 LYS 43 lone 0 74 - 0 - HD2 LYS 40 - HE3 LYS 106 lone 0 75 - 0 - HD3 LYS 40 - HE3 LYS 106 lone 0 74 - 0 - HD3 LYS 44 - HE3 LYS 40 lone 0 73 - 0 - HG3 LYS 123 - HE2 LYS 20 lone 0 87 - 0 - HG3 LYS 123 - HE3 LYS 20 lone 0 87 - 0 - HD2 LYS 40 - HE2 LYS 106 lone 0 70 - 0 - HD3 LYS 40 - HE2 LYS 106 lone 0 69 - 0 - HD3 LYS 44 - HE2 LYS 40 lone 0 70 - 0 - HB ILE 56 - HE3 LYS 20 lone 0 100 - 0 - HB ILE 56 - HE2 LYS 20 lone 0 100 - 0 - HG12 ILE 71 - HE3 LYS 106 lone 0 72 - 0 - HD3 LYS 96 - HE3 LYS 106 lone 0 76 - 0 - HD2 LYS 96 - HE3 LYS 106 lone 0 74 - 0 - HG12 ILE 71 - HE2 LYS 20 lone 0 97 - 0 - HG12 ILE 71 - HE3 LYS 20 lone 0 97 - 0 - HG12 ILE 71 - HE2 LYS 106 lone 0 68 - 0 - HB ILE 54 - HE2 LYS 20 lone 0 99 - 0 - HB ILE 54 - HE3 LYS 20 lone 0 99 - 0 - HD3 LYS 96 - HE2 LYS 106 lone 0 71 - 0 - HG3 LYS 123 - HE3 LYS 43 lone 0 62 - 0 - HD2 LYS 96 - HE2 LYS 106 lone 0 69 - 0 - HB ILE 54 - HE3 LYS 40 lone 0 98 - 0 - HB ILE 54 - HE2 LYS 40 lone 0 97 - 0 - HB ILE 54 - HE3 LYS 106 lone 0 75 - 0 - HD2 LYS 16 - HE3 LYS 106 lone 0 78 - 0 - HB ILE 54 - HE2 LYS 106 lone 0 70 - 0 - HD3 LYS 16 - HE3 LYS 106 lone 0 78 - 0 - HG12 ILE 71 - HE3 LYS 40 lone 0 96 - 0 - HD2 LYS 16 - HE2 LYS 106 lone 0 73 - 0 - HD3 LYS 16 - HE2 LYS 106 lone 0 73 - 0 - HD2 LYS 17 - HE3 LYS 73 lone 0 64 - 0 - HG3 LYS 39 - HE3 LYS 106 lone 0 62 - 0 - HD3 LYS 43 - HE3 LYS 106 lone 0 77 - 0 - HG12 ILE 71 - HE2 LYS 40 lone 0 94 - 0 - HB ILE 56 - HE3 LYS 40 lone 0 100 - 0 - HB ILE 56 - HE2 LYS 40 lone 0 98 - 0 - HD3 LYS 43 - HE2 LYS 106 lone 0 72 - 0 - HG3 LYS 39 - HE2 LYS 106 lone 0 57 - 0 - HD2 LYS 73 - HE3 LYS 106 lone 0 78 - 0 - HD3 LYS 73 - HE3 LYS 106 lone 0 77 - 0 - HD2 LYS 43 - HE3 LYS 106 lone 0 71 - 0 - HB ILE 56 - HE3 LYS 43 lone 0 78 - 0 - HG3 LYS 123 - HE3 LYS 73 lone 0 53 - 0 - HG LEU 74 - HE3 LYS 20 lone 0 70 - 0 - HG LEU 74 - HE2 LYS 20 lone 0 70 - 0 - HD2 LYS 73 - HE2 LYS 106 lone 0 73 - 0 - HD3 LYS 73 - HE2 LYS 106 lone 0 72 - 0 - HD2 LYS 43 - HE2 LYS 106 lone 0 66 - 0 - HG12 ILE 71 - HE3 LYS 43 lone 0 72 - 0 - HG LEU 74 - HE3 LYS 73 lone 0 40 - 0 - HG3 LYS 123 - HE3 LYS 106 lone 0 62 - 0 - HB ILE 54 - HE3 LYS 43 lone 0 75 - 0 - HG3 LYS 123 - HE2 LYS 106 lone 0 57 - 0 - HD2 LYS 17 - HE3 LYS 106 lone 0 74 - 0 - HB ILE 54 - HE3 LYS 73 lone 0 65 - 0 - HG LEU 74 - HE3 LYS 40 lone 0 69 - 0 - HB ILE 56 - HE3 LYS 73 lone 0 68 - 0 - HG LEU 74 - HE2 LYS 40 lone 0 66 - 0 - HD2 LYS 17 - HE2 LYS 106 lone 0 69 - 0 - HB ILE 56 - HE3 LYS 106 lone 0 78 - 0 - HD3 LYS 39 - HE3 LYS 106 lone 0 44 - 0 - HD2 LYS 44 - HE3 LYS 106 lone 0 56 - 0 - HB ILE 56 - HE2 LYS 106 lone 0 73 - 0 - HD3 LYS 39 - HE2 LYS 106 lone 0 41 - 0 - HD2 LYS 39 - HE3 LYS 106 lone 0 41 - 0 - HD2 LYS 44 - HE2 LYS 106 lone 0 52 - 0 - HG3 ARG 95 - HE3 LYS 106 lone 0 64 - 0 - HD2 LYS 39 - HE2 LYS 106 lone 0 38 - 0 - HD3 LYS 44 - HE3 LYS 106 lone 0 50 - 0 - HG3 ARG 95 - HE2 LYS 106 lone 0 60 - 0 - HD3 LYS 44 - HE2 LYS 106 lone 0 46 - 0 - HG LEU 74 - HE3 LYS 43 lone 0 47 - 0 - HG LEU 74 - HE3 LYS 106 lone 0 47 - 0 - HG LEU 74 - HE2 LYS 106 lone 0 44 - 0 - Peak 3110 from cnoeabs.peaks (2.96, 2.96, 41.78 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HE3 LYS 20 + HE3 LYS 20 OK 100 100 - 100 * HE2 LYS 20 + HE2 LYS 20 OK 100 100 - 100 HE3 LYS 40 + HE3 LYS 40 OK 100 100 - 100 HE2 LYS 40 + HE2 LYS 40 OK 97 97 - 100 HE3 LYS 106 + HE3 LYS 106 OK 64 64 - 100 HE3 LYS 43 + HE3 LYS 43 OK 64 64 - 100 HE2 LYS 106 + HE2 LYS 106 OK 57 57 - 100 HE3 LYS 73 + HE3 LYS 73 OK 50 50 - 100 Peak 3111 from cnoeabs.peaks (2.96, 2.96, 41.78 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HE3 LYS 20 + HE3 LYS 20 OK 100 100 - 100 HE2 LYS 20 + HE2 LYS 20 OK 100 100 - 100 HE3 LYS 40 + HE3 LYS 40 OK 100 100 - 100 HE2 LYS 40 + HE2 LYS 40 OK 97 97 - 100 HE3 LYS 106 + HE3 LYS 106 OK 64 64 - 100 HE3 LYS 43 + HE3 LYS 43 OK 64 64 - 100 HE2 LYS 106 + HE2 LYS 106 OK 57 57 - 100 HE3 LYS 73 + HE3 LYS 73 OK 50 50 - 100 Reference assignment not found: HE3 LYS 20 - HE2 LYS 20 Peak 3116 from cnoeabs.peaks (1.51, 2.96, 41.78 ppm; 3.25 A): 3 out of 88 assignments used, quality = 0.99: HG2 LYS 20 + HE2 LYS 20 OK 85 100 - 85 - 3.9=58, 3068/3.0=8...(17) * HG2 LYS 20 + HE3 LYS 20 OK 85 100 - 85 - 3.9=58, 3068/3.0=8...(17) HG2 LYS 43 + HE3 LYS 43 OK 62 72 - 86 - 3.9=57, 3846/3.0=9...(21) HG2 LYS 20 - HE3 LYS 43 OK 28 78 - 36 - 3070=4, 1.8/3080=3...(11) HG2 LYS 43 - HE2 LYS 20 OK 24 97 - 25 - 3847/3.0=2, 3847/3.0=2...(6) HG2 LYS 43 - HE3 LYS 20 OK 24 97 - 25 - 3847/3.0=2, 3847/3.0=2...(6) HG2 LYS 20 - HE3 LYS 73 OK 20 68 - 30 - 3070=3, 1.8/3080=3...(9) HG2 LYS 20 - HE3 LYS 40 OK 19 100 - 19 - 3071=3, 3070/1.8=2...(7) HG2 LYS 20 - HE2 LYS 40 OK 18 99 - 18 - 3070=3, 3071/1.8=2...(7) HG2 LYS 43 - HE3 LYS 40 OK 17 96 - 17 - 3849/1.8=1, 3849=1...(5) HG2 LYS 43 - HE2 LYS 40 OK 16 94 - 17 - 3849/1.8=1, 3849=1...(5) HG2 LYS 43 - HE3 LYS 73 OK 15 63 - 24 - 3848/1.8=2, 3849=2...(6) QB ALA 124 - HE2 LYS 20 lone 2 100 - 2 - QB ALA 124 - HE3 LYS 20 lone 2 100 - 2 - HD3 LYS 17 - HE2 LYS 20 lone 2 90 - 2 - HD3 LYS 17 - HE3 LYS 20 lone 2 90 - 2 - HB3 LEU 14 - HE3 LYS 20 lone 2 96 - 2 - HB3 LEU 14 - HE2 LYS 20 lone 2 96 - 2 - QB ALA 124 - HE3 LYS 43 lone 1 78 - 2 - QB ALA 124 - HE3 LYS 73 lone 1 68 - 2 - HB2 LEU 6 - HE3 LYS 20 lone 1 100 - 1 - HB2 LEU 6 - HE2 LYS 20 lone 1 100 - 1 - HG2 LYS 20 - HE3 LYS 106 lone 1 78 - 1 - HG2 LYS 20 - HE2 LYS 106 lone 1 73 - 1 - HD3 LYS 17 - HE3 LYS 40 lone 1 89 - 1 - HB2 LEU 6 - HE3 LYS 43 lone 1 78 - 1 - HB3 LEU 14 - HE3 LYS 43 lone 1 71 - 1 - HD3 LYS 17 - HE2 LYS 40 lone 1 86 - 1 - HG LEU 38 - HE3 LYS 40 lone 1 76 - 1 - HG LEU 38 - HE2 LYS 40 lone 1 74 - 1 - HG LEU 38 - HE3 LYS 20 lone 1 77 - 1 - HG LEU 38 - HE2 LYS 20 lone 1 77 - 1 - HD3 LYS 17 - HE3 LYS 43 lone 1 64 - 1 - HG LEU 38 - HE3 LYS 43 lone 1 53 - 1 - HG LEU 6 - HE3 LYS 20 lone 0 81 - 1 - HG LEU 6 - HE2 LYS 20 lone 0 81 - 1 - HB2 LEU 6 - HE3 LYS 73 lone 0 68 - 1 - HB3 ARG 30 - HE3 LYS 20 lone 0 96 - 0 - HB3 ARG 30 - HE2 LYS 20 lone 0 96 - 0 - HG2 ARG 30 - HE2 LYS 20 lone 0 94 - 0 - HG2 ARG 30 - HE3 LYS 20 lone 0 94 - 0 - QB ALA 124 - HE3 LYS 40 lone 0 100 - 0 - HB2 LYS 61 - HE3 LYS 20 lone 0 90 - 0 - HB2 LYS 61 - HE2 LYS 20 lone 0 90 - 0 - HB2 LEU 6 - HE3 LYS 40 lone 0 100 - 0 - QB ALA 124 - HE2 LYS 40 lone 0 98 - 0 - HB2 LEU 6 - HE2 LYS 40 lone 0 98 - 0 - HB3 LEU 14 - HE3 LYS 40 lone 0 95 - 0 - HG LEU 38 - HE3 LYS 106 lone 0 53 - 1 - HB3 LEU 14 - HE2 LYS 40 lone 0 93 - 0 - HG LEU 38 - HE2 LYS 106 lone 0 49 - 1 - HG LEU 6 - HE3 LYS 43 lone 0 56 - 1 - HG2 LYS 43 - HE3 LYS 106 lone 0 72 - 0 - HB3 ARG 30 - HE3 LYS 43 lone 0 71 - 0 - HB3 ARG 30 - HE3 LYS 40 lone 0 95 - 0 - HG2 LYS 43 - HE2 LYS 106 lone 0 68 - 0 - HG2 ARG 30 - HE3 LYS 40 lone 0 93 - 0 - HB3 ARG 30 - HE2 LYS 40 lone 0 93 - 0 - HG2 ARG 30 - HE3 LYS 43 lone 0 69 - 0 - HD3 LYS 17 - HE3 LYS 73 lone 0 55 - 1 - HG2 ARG 30 - HE2 LYS 40 lone 0 91 - 0 - HB3 LEU 14 - HE3 LYS 106 lone 0 71 - 0 - HB2 LYS 61 - HE3 LYS 40 lone 0 89 - 0 - HB2 LYS 61 - HE3 LYS 43 lone 0 64 - 0 - HB2 LYS 61 - HE2 LYS 40 lone 0 86 - 0 - QB ALA 124 - HE3 LYS 106 lone 0 78 - 0 - HB3 LEU 14 - HE2 LYS 106 lone 0 66 - 0 - HB3 LEU 14 - HE3 LYS 73 lone 0 61 - 0 - QB ALA 124 - HE2 LYS 106 lone 0 73 - 0 - HG LEU 6 - HE3 LYS 40 lone 0 80 - 0 - HB2 LEU 6 - HE3 LYS 106 lone 0 78 - 0 - HG LEU 6 - HE2 LYS 40 lone 0 77 - 0 - HB2 LEU 6 - HE2 LYS 106 lone 0 73 - 0 - HG LEU 38 - HE3 LYS 73 lone 0 45 - 0 - HB3 ARG 30 - HE3 LYS 73 lone 0 61 - 0 - HB3 ARG 30 - HE3 LYS 106 lone 0 71 - 0 - HG2 ARG 30 - HE3 LYS 73 lone 0 59 - 0 - HD3 LYS 17 - HE3 LYS 106 lone 0 64 - 0 - HG2 ARG 30 - HE3 LYS 106 lone 0 69 - 0 - HB3 ARG 30 - HE2 LYS 106 lone 0 66 - 0 - HG LEU 6 - HE3 LYS 73 lone 0 48 - 0 - HD3 LYS 17 - HE2 LYS 106 lone 0 60 - 0 - HG2 ARG 30 - HE2 LYS 106 lone 0 64 - 0 - HB2 LYS 61 - HE3 LYS 106 lone 0 64 - 0 - HG LEU 6 - HE3 LYS 106 lone 0 56 - 0 - HB2 LYS 61 - HE3 LYS 73 lone 0 55 - 0 - HB2 LYS 61 - HE2 LYS 106 lone 0 60 - 0 - HG LEU 6 - HE2 LYS 106 lone 0 52 - 0 - Peak 3117 from cnoeabs.peaks (1.48, 2.96, 41.78 ppm; 3.02 A): 3 out of 112 assignments used, quality = 0.98: HG3 LYS 20 + HE2 LYS 20 OK 78 100 - 78 - 3.9=47, 3078/3.0=7...(17) * HG3 LYS 20 + HE3 LYS 20 OK 78 100 - 78 - 3.9=47, 3078/3.0=7...(17) HG3 LYS 73 + HE3 LYS 73 OK 55 68 - 82 - 3.8=51, 5170/2.9=8...(17) HG2 LYS 106 - HE3 LYS 106 OK 40 50 - 80 - 3.6=59, 1.8/6530=8...(22) HG2 LYS 106 - HE2 LYS 106 OK 37 46 - 80 - 3.6=59, 1.8/6530=8...(22) HG3 LYS 20 - HE3 LYS 43 OK 23 78 - 29 - 3081=3, 1.8/3071=3...(10) HG3 LYS 73 - HE2 LYS 20 OK 22 100 - 23 - 5170/3.0=2, 5170/3.0=2...(6) HG3 LYS 73 - HE3 LYS 20 OK 22 100 - 23 - 5170/3.0=2, 5170/3.0=2...(6) HG3 LYS 73 - HE3 LYS 43 OK 21 78 - 27 - 5171/1.8=3, 5172=2...(9) HG3 LYS 20 - HE3 LYS 73 OK 18 68 - 27 - 3080=2, 1.8/3070=2...(7) HG3 LYS 20 - HE3 LYS 40 OK 16 100 - 16 - 3080=2, 1.8/3071=2...(5) HG3 LYS 20 - HE2 LYS 40 OK 15 99 - 16 - 3080=2, 1.8/3070=2...(5) HG3 LYS 73 - HE3 LYS 40 lone 8 100 - 8 - HG3 LYS 73 - HE2 LYS 40 lone 8 98 - 8 - HG2 LYS 39 - HE3 LYS 40 lone 4 61 - 7 - HG2 LYS 39 - HE2 LYS 40 lone 4 58 - 7 - HG2 LYS 39 - HE3 LYS 43 lone 2 41 - 5 - HB3 LEU 45 - HE3 LYS 20 lone 2 92 - 2 - HB3 LEU 45 - HE2 LYS 20 lone 2 92 - 2 - HB3 LEU 45 - HE3 LYS 73 lone 2 57 - 3 - HG2 LYS 39 - HE2 LYS 20 lone 1 61 - 2 - HG2 LYS 39 - HE3 LYS 20 lone 1 61 - 2 - HB2 LEU 74 - HE3 LYS 73 lone 1 57 - 2 - HG3 ARG 118 - HE3 LYS 20 lone 1 97 - 1 - HG3 ARG 118 - HE2 LYS 20 lone 1 97 - 1 - HG2 LYS 39 - HE3 LYS 73 lone 1 35 - 3 - HG2 LYS 106 - HE3 LYS 20 lone 1 73 - 1 - HG2 LYS 106 - HE2 LYS 20 lone 1 73 - 1 - HB3 LEU 45 - HE3 LYS 43 lone 1 66 - 1 - HG12 ILE 57 - HE3 LYS 20 lone 1 73 - 1 - HG12 ILE 57 - HE2 LYS 20 lone 1 73 - 1 - HG3 LYS 20 - HE3 LYS 106 lone 1 78 - 1 - HG3 LYS 20 - HE2 LYS 106 lone 1 73 - 1 - HB3 LEU 38 - HE3 LYS 20 lone 1 77 - 1 - HB3 LEU 38 - HE2 LYS 20 lone 1 77 - 1 - HB3 LEU 6 - HE2 LYS 20 lone 1 65 - 1 - HB3 LEU 6 - HE3 LYS 20 lone 1 65 - 1 - HB2 LEU 74 - HE3 LYS 20 lone 0 92 - 0 - HB2 LEU 74 - HE2 LYS 20 lone 0 92 - 0 - HG12 ILE 7 - HE3 LYS 106 lone 0 47 - 1 - HG12 ILE 7 - HE2 LYS 106 lone 0 44 - 1 - HB3 LEU 38 - HE3 LYS 106 lone 0 53 - 1 - HB3 LEU 38 - HE3 LYS 40 lone 0 76 - 1 - HB3 LEU 38 - HE2 LYS 40 lone 0 74 - 1 - HB3 LEU 45 - HE3 LYS 40 lone 0 91 - 0 - HB3 LEU 38 - HE2 LYS 106 lone 0 49 - 1 - HG3 ARG 118 - HE3 LYS 106 lone 0 72 - 0 - HD2 LYS 53 - HE3 LYS 20 lone 0 99 - 0 - HD2 LYS 53 - HE2 LYS 20 lone 0 99 - 0 - HG3 ARG 118 - HE2 LYS 40 lone 0 94 - 0 - HB3 LEU 45 - HE2 LYS 40 lone 0 89 - 0 - HG2 LYS 106 - HE2 LYS 40 lone 0 70 - 0 - HG3 ARG 118 - HE3 LYS 73 lone 0 63 - 1 - HG3 ARG 118 - HE3 LYS 40 lone 0 96 - 0 - HG3 ARG 118 - HE2 LYS 106 lone 0 68 - 0 - HG2 LYS 106 - HE3 LYS 40 lone 0 73 - 0 - HG2 LYS 39 - HE3 LYS 106 lone 0 41 - 1 - HG2 LYS 39 - HE2 LYS 106 lone 0 38 - 1 - HG3 LYS 49 - HE2 LYS 20 lone 0 65 - 0 - HG3 LYS 49 - HE3 LYS 20 lone 0 65 - 0 - HG2 LYS 49 - HE2 LYS 20 lone 0 65 - 0 - HG2 LYS 49 - HE3 LYS 20 lone 0 65 - 0 - HD2 LYS 53 - HE3 LYS 40 lone 0 99 - 0 - HG12 ILE 57 - HE3 LYS 106 lone 0 50 - 1 - HB2 LEU 74 - HE2 LYS 40 lone 0 89 - 0 - HD2 LYS 53 - HE2 LYS 40 lone 0 97 - 0 - HB2 LEU 74 - HE3 LYS 40 lone 0 91 - 0 - HG3 LYS 73 - HE3 LYS 106 lone 0 78 - 0 - HB3 LEU 6 - HE3 LYS 43 lone 0 44 - 1 - HG3 ARG 118 - HE3 LYS 43 lone 0 72 - 0 - HG12 ILE 7 - HE3 LYS 20 lone 0 70 - 0 - HG12 ILE 7 - HE2 LYS 20 lone 0 70 - 0 - HG12 ILE 57 - HE2 LYS 106 lone 0 46 - 1 - HG3 LYS 73 - HE2 LYS 106 lone 0 73 - 0 - HB2 LEU 74 - HE3 LYS 106 lone 0 66 - 0 - HB2 LEU 74 - HE3 LYS 43 lone 0 66 - 0 - HD2 LYS 53 - HE3 LYS 73 lone 0 66 - 0 - HD2 LYS 53 - HE3 LYS 106 lone 0 76 - 0 - HB3 LEU 38 - HE3 LYS 73 lone 0 45 - 0 - HB2 LEU 74 - HE2 LYS 106 lone 0 62 - 0 - HD2 LYS 53 - HE3 LYS 43 lone 0 76 - 0 - HB3 LEU 6 - HE3 LYS 40 lone 0 65 - 0 - HD2 LYS 53 - HE2 LYS 106 lone 0 71 - 0 - HG12 ILE 7 - HE3 LYS 40 lone 0 69 - 0 - HB3 LEU 6 - HE2 LYS 40 lone 0 62 - 0 - HB3 LEU 38 - HE3 LYS 43 lone 0 53 - 0 - HG12 ILE 57 - HE3 LYS 40 lone 0 73 - 0 - HB3 LEU 45 - HE3 LYS 106 lone 0 66 - 0 - HG12 ILE 7 - HE2 LYS 40 lone 0 66 - 0 - HG12 ILE 57 - HE2 LYS 40 lone 0 70 - 0 - HG2 LYS 49 - HE3 LYS 40 lone 0 65 - 0 - HG3 LYS 49 - HE3 LYS 40 lone 0 65 - 0 - HB3 LEU 6 - HE3 LYS 73 lone 0 37 - 0 - HB3 LEU 45 - HE2 LYS 106 lone 0 62 - 0 - HG3 LYS 49 - HE2 LYS 40 lone 0 62 - 0 - HG2 LYS 49 - HE2 LYS 40 lone 0 62 - 0 - HG2 LYS 106 - HE3 LYS 43 lone 0 50 - 0 - HG12 ILE 7 - HE3 LYS 43 lone 0 47 - 0 - HG3 LYS 49 - HE3 LYS 43 lone 0 44 - 0 - HG2 LYS 49 - HE3 LYS 43 lone 0 44 - 0 - HG12 ILE 57 - HE3 LYS 43 lone 0 50 - 0 - HG2 LYS 106 - HE3 LYS 73 lone 0 43 - 0 - HG12 ILE 57 - HE3 LYS 73 lone 0 43 - 0 - HG12 ILE 7 - HE3 LYS 73 lone 0 40 - 0 - HB3 LEU 6 - HE3 LYS 106 lone 0 44 - 0 - HG2 LYS 49 - HE3 LYS 73 lone 0 37 - 0 - HG3 LYS 49 - HE3 LYS 73 lone 0 37 - 0 - HG2 LYS 49 - HE3 LYS 106 lone 0 44 - 0 - HG3 LYS 49 - HE3 LYS 106 lone 0 44 - 0 - HB3 LEU 6 - HE2 LYS 106 lone 0 41 - 0 - HG2 LYS 49 - HE2 LYS 106 lone 0 41 - 0 - HG3 LYS 49 - HE2 LYS 106 lone 0 41 - 0 - Peak 3118 from cnoeabs.peaks (1.69, 2.96, 41.78 ppm; 2.40 A): 12 out of 192 assignments used, quality = 1.00: * HD2 LYS 20 + HE3 LYS 20 OK 70 100 - 70 - 3.0=52, 3.0/3070=3...(13) HD2 LYS 20 + HE2 LYS 20 OK 70 100 - 70 - 3.0=52, 3.0/3070=3...(13) HD3 LYS 20 + HE2 LYS 20 OK 70 100 - 70 - 3.0=52, 3.0/3070=3...(13) HD3 LYS 20 + HE3 LYS 20 OK 70 100 - 70 - 3.0=52, 3.0/3070=3...(13) HD2 LYS 40 + HE3 LYS 40 OK 69 98 - 71 - 3.0=53, 1.8/3717=4...(18) HD3 LYS 40 + HE3 LYS 40 OK 68 96 - 71 - 3.0=53, 1.8/3717=4...(18) HD2 LYS 40 + HE2 LYS 40 OK 67 96 - 71 - 3.0=53, 1.8/3717=4...(18) HD3 LYS 40 + HE2 LYS 40 OK 67 94 - 71 - 3.0=53, 1.8/3717=4...(18) HD3 LYS 43 + HE3 LYS 43 OK 51 76 - 66 - 3.0=52, 3847/3.9=3...(11) HD2 LYS 73 + HE3 LYS 73 OK 47 67 - 70 - 2.9=56, 5169/3.8=3...(14) HD3 LYS 73 + HE3 LYS 73 OK 46 66 - 70 - 2.9=56, 5169/3.8=3...(14) HD2 LYS 43 + HE3 LYS 43 OK 46 69 - 66 - 3.0=52, 3847/3.9=3...(11) HD2 LYS 16 - HE2 LYS 40 OK 13 98 - 14 - 3694/3.9=1 HD3 LYS 16 - HE2 LYS 40 OK 13 99 - 14 - 3694/3.9=1 HD2 LYS 16 - HE3 LYS 40 OK 13 100 - 13 - 3694/3.9=1 HD3 LYS 16 - HE3 LYS 40 OK 13 100 - 13 - 3694/3.9=1 HD2 LYS 20 - HE3 LYS 43 OK 12 78 - 16 - 3.0/3071=1, 3.0/3080=1 HD3 LYS 20 - HE3 LYS 43 OK 12 78 - 16 - 3.0/3070=1, 3.0/3080=1 HD2 LYS 40 - HE2 LYS 20 OK 11 98 - 11 - HD2 LYS 40 - HE3 LYS 20 OK 11 98 - 11 - HD3 LYS 40 - HE3 LYS 20 OK 11 97 - 11 - HD3 LYS 40 - HE2 LYS 20 OK 11 97 - 11 - HD2 LYS 73 - HE2 LYS 20 OK 10 100 - 10 - HD2 LYS 73 - HE3 LYS 20 OK 10 100 - 10 - HD3 LYS 73 - HE3 LYS 20 OK 10 99 - 10 - HD3 LYS 73 - HE2 LYS 20 OK 10 99 - 10 - HD2 LYS 20 - HE3 LYS 73 poor 10 68 - 15 - HD2 LYS 20 - HE3 LYS 40 lone 10 100 - 10 - HD3 LYS 20 - HE3 LYS 73 poor 10 68 - 15 - HD3 LYS 20 - HE3 LYS 40 lone 10 100 - 10 - HD3 LYS 43 - HE3 LYS 20 lone 10 99 - 10 - HD3 LYS 43 - HE2 LYS 20 lone 10 99 - 10 - HD2 LYS 20 - HE2 LYS 40 lone 10 99 - 10 - HD3 LYS 20 - HE2 LYS 40 lone 10 99 - 10 - HD2 LYS 43 - HE2 LYS 20 lone 9 94 - 10 - HD2 LYS 43 - HE3 LYS 20 lone 9 94 - 10 - HD2 LYS 73 - HE3 LYS 43 poor 9 77 - 12 - HD3 LYS 73 - HE3 LYS 43 poor 9 76 - 12 - HD2 LYS 40 - HE3 LYS 43 poor 9 74 - 12 - 2.9/3696=1 HD3 LYS 40 - HE3 LYS 43 poor 8 72 - 12 - 2.9/3696=1 HD3 LYS 43 - HE3 LYS 40 lone 8 99 - 8 - HD3 LYS 43 - HE2 LYS 40 lone 8 97 - 8 - HD2 LYS 43 - HE3 LYS 40 lone 7 93 - 8 - HD2 LYS 43 - HE2 LYS 40 lone 7 91 - 8 - HD3 LYS 43 - HE3 LYS 73 lone 6 66 - 10 - HD3 LYS 96 - HE2 LYS 20 lone 6 99 - 6 - HD3 LYS 96 - HE3 LYS 20 lone 6 99 - 6 - HD2 LYS 96 - HE2 LYS 20 lone 6 97 - 6 - HD2 LYS 96 - HE3 LYS 20 lone 6 97 - 6 - HD2 LYS 43 - HE3 LYS 73 lone 6 59 - 10 - HD2 LYS 73 - HE3 LYS 40 lone 4 99 - 4 - HD3 LYS 73 - HE3 LYS 40 lone 4 99 - 4 - HD2 LYS 40 - HE3 LYS 73 lone 4 64 - 7 - HD3 LYS 40 - HE3 LYS 73 lone 4 63 - 7 - HD2 LYS 73 - HE2 LYS 40 lone 4 98 - 4 - HD3 LYS 73 - HE2 LYS 40 lone 4 97 - 4 - HD3 LYS 96 - HE3 LYS 73 lone 4 65 - 6 - HD3 LYS 96 - HE3 LYS 43 lone 4 75 - 5 - HD2 LYS 96 - HE3 LYS 73 lone 4 63 - 6 - HD2 LYS 96 - HE3 LYS 43 lone 4 72 - 5 - HD3 LYS 96 - HE3 LYS 40 lone 4 98 - 4 - HD2 LYS 96 - HE3 LYS 40 lone 3 96 - 4 - HD3 LYS 96 - HE2 LYS 40 lone 3 97 - 4 - HG3 LYS 39 - HE2 LYS 40 lone 3 86 - 4 - HG3 LYS 39 - HE3 LYS 40 lone 3 89 - 4 - HD2 LYS 96 - HE2 LYS 40 lone 3 94 - 4 - HD2 LYS 16 - HE3 LYS 20 lone 2 100 - 2 - HD2 LYS 16 - HE2 LYS 20 lone 2 100 - 2 - HD3 LYS 16 - HE3 LYS 20 lone 2 100 - 2 - HD3 LYS 16 - HE2 LYS 20 lone 2 100 - 2 - HD2 LYS 44 - HE3 LYS 43 lone 2 59 - 3 - HG3 LYS 39 - HE3 LYS 43 lone 2 64 - 3 - HD3 LYS 44 - HE3 LYS 43 lone 2 53 - 3 - HD2 LYS 44 - HE3 LYS 73 lone 1 50 - 3 - HD3 LYS 39 - HE2 LYS 40 lone 1 66 - 2 - HD3 LYS 39 - HE3 LYS 40 lone 1 69 - 2 - HD2 LYS 39 - HE2 LYS 40 lone 1 62 - 2 - HD3 LYS 44 - HE3 LYS 73 lone 1 45 - 3 - HD2 LYS 39 - HE3 LYS 40 lone 1 65 - 2 - HD2 LYS 17 - HE3 LYS 40 lone 1 96 - 1 - HG3 LYS 39 - HE3 LYS 20 lone 1 90 - 1 - HG3 LYS 39 - HE2 LYS 20 lone 1 90 - 1 - HD2 LYS 17 - HE2 LYS 40 lone 1 94 - 1 - HG3 LYS 39 - HE3 LYS 73 lone 1 55 - 2 - HD2 LYS 16 - HE3 LYS 73 lone 1 68 - 1 - HD3 LYS 16 - HE3 LYS 73 lone 1 68 - 1 - HD2 LYS 17 - HE3 LYS 20 lone 1 97 - 1 - HD2 LYS 17 - HE2 LYS 20 lone 1 97 - 1 - HG3 ARG 95 - HE3 LYS 40 lone 1 86 - 1 - HG3 ARG 95 - HE2 LYS 40 lone 1 83 - 1 - HD2 LYS 44 - HE2 LYS 20 lone 1 84 - 1 - HD2 LYS 44 - HE3 LYS 20 lone 1 84 - 1 - HD3 LYS 39 - HE3 LYS 43 lone 1 47 - 2 - HD2 LYS 16 - HE3 LYS 43 lone 1 78 - 1 - HD3 LYS 16 - HE3 LYS 43 lone 1 78 - 1 - HD2 LYS 39 - HE3 LYS 43 lone 1 44 - 2 - HG3 ARG 95 - HE3 LYS 20 lone 1 87 - 1 - HG3 ARG 95 - HE2 LYS 20 lone 1 87 - 1 - HD3 LYS 44 - HE2 LYS 20 lone 1 77 - 1 - HD3 LYS 44 - HE3 LYS 20 lone 1 77 - 1 - HD3 LYS 39 - HE3 LYS 20 lone 1 70 - 1 - HD3 LYS 39 - HE2 LYS 20 lone 1 70 - 1 - HD2 LYS 39 - HE3 LYS 20 lone 1 65 - 1 - HD2 LYS 39 - HE2 LYS 20 lone 1 65 - 1 - HD2 LYS 20 - HE3 LYS 106 lone 0 78 - 1 - HD3 LYS 20 - HE3 LYS 106 lone 0 78 - 1 - HD3 LYS 39 - HE3 LYS 73 lone 0 40 - 1 - HD2 LYS 20 - HE2 LYS 106 lone 0 73 - 1 - HD3 LYS 20 - HE2 LYS 106 lone 0 73 - 1 - HD2 LYS 39 - HE3 LYS 73 lone 0 37 - 1 - HD2 LYS 44 - HE3 LYS 40 lone 0 83 - 0 - HG3 LYS 123 - HE3 LYS 40 lone 0 89 - 0 - HG3 LYS 123 - HE2 LYS 40 lone 0 86 - 0 - HG3 ARG 95 - HE3 LYS 43 lone 0 62 - 1 - HG12 ILE 71 - HE3 LYS 73 lone 0 64 - 1 - HD2 LYS 44 - HE2 LYS 40 lone 0 80 - 0 - HG3 ARG 95 - HE3 LYS 73 lone 0 53 - 1 - HD3 LYS 44 - HE3 LYS 40 lone 0 76 - 0 - HD2 LYS 17 - HE3 LYS 43 lone 0 72 - 0 - HG3 LYS 123 - HE3 LYS 20 lone 0 90 - 0 - HG3 LYS 123 - HE2 LYS 20 lone 0 90 - 0 - HD2 LYS 40 - HE3 LYS 106 lone 0 74 - 0 - HD3 LYS 40 - HE3 LYS 106 lone 0 72 - 0 - HD3 LYS 44 - HE2 LYS 40 lone 0 74 - 0 - HD2 LYS 40 - HE2 LYS 106 lone 0 69 - 0 - HD3 LYS 40 - HE2 LYS 106 lone 0 68 - 0 - HB ILE 56 - HE2 LYS 20 lone 0 100 - 0 - HB ILE 56 - HE3 LYS 20 lone 0 100 - 0 - HG12 ILE 71 - HE3 LYS 106 lone 0 74 - 0 - HD3 LYS 96 - HE3 LYS 106 lone 0 75 - 0 - HG12 ILE 71 - HE2 LYS 20 lone 0 98 - 0 - HG12 ILE 71 - HE3 LYS 20 lone 0 98 - 0 - HG12 ILE 71 - HE2 LYS 106 lone 0 69 - 0 - HD2 LYS 96 - HE3 LYS 106 lone 0 72 - 0 - HG3 LYS 123 - HE3 LYS 43 lone 0 64 - 0 - HB ILE 54 - HE3 LYS 20 lone 0 98 - 0 - HB ILE 54 - HE2 LYS 20 lone 0 98 - 0 - HD3 LYS 96 - HE2 LYS 106 lone 0 70 - 0 - HB ILE 54 - HE3 LYS 40 lone 0 98 - 0 - HD2 LYS 96 - HE2 LYS 106 lone 0 68 - 0 - HB ILE 54 - HE2 LYS 40 lone 0 96 - 0 - HB ILE 54 - HE3 LYS 106 lone 0 74 - 0 - HD3 LYS 16 - HE3 LYS 106 lone 0 78 - 0 - HD2 LYS 16 - HE3 LYS 106 lone 0 78 - 0 - HB ILE 54 - HE2 LYS 106 lone 0 69 - 0 - HG3 LYS 39 - HE3 LYS 106 lone 0 64 - 0 - HG12 ILE 71 - HE3 LYS 40 lone 0 98 - 0 - HD3 LYS 16 - HE2 LYS 106 lone 0 73 - 0 - HD2 LYS 16 - HE2 LYS 106 lone 0 73 - 0 - HG12 ILE 71 - HE2 LYS 40 lone 0 96 - 0 - HD3 LYS 43 - HE3 LYS 106 lone 0 76 - 0 - HD2 LYS 17 - HE3 LYS 73 lone 0 63 - 0 - HG3 LYS 39 - HE2 LYS 106 lone 0 60 - 0 - HB ILE 56 - HE3 LYS 40 lone 0 100 - 0 - HB ILE 56 - HE2 LYS 40 lone 0 99 - 0 - HG LEU 74 - HE2 LYS 20 lone 0 73 - 0 - HG LEU 74 - HE3 LYS 20 lone 0 73 - 0 - HG3 LYS 123 - HE3 LYS 73 lone 0 55 - 0 - HD3 LYS 43 - HE2 LYS 106 lone 0 71 - 0 - HD2 LYS 73 - HE3 LYS 106 lone 0 77 - 0 - HD3 LYS 73 - HE3 LYS 106 lone 0 76 - 0 - HG LEU 74 - HE3 LYS 73 lone 0 43 - 0 - HB ILE 56 - HE3 LYS 43 lone 0 78 - 0 - HD2 LYS 43 - HE3 LYS 106 lone 0 69 - 0 - HG12 ILE 71 - HE3 LYS 43 lone 0 74 - 0 - HD2 LYS 73 - HE2 LYS 106 lone 0 72 - 0 - HD3 LYS 73 - HE2 LYS 106 lone 0 71 - 0 - HD2 LYS 43 - HE2 LYS 106 lone 0 64 - 0 - HG3 LYS 123 - HE3 LYS 106 lone 0 64 - 0 - HG3 LYS 123 - HE2 LYS 106 lone 0 60 - 0 - HG LEU 74 - HE3 LYS 40 lone 0 73 - 0 - HB ILE 54 - HE3 LYS 43 lone 0 74 - 0 - HG LEU 74 - HE2 LYS 40 lone 0 70 - 0 - HD2 LYS 17 - HE3 LYS 106 lone 0 72 - 0 - HD3 LYS 39 - HE3 LYS 106 lone 0 47 - 0 - HB ILE 56 - HE3 LYS 73 lone 0 68 - 0 - HB ILE 54 - HE3 LYS 73 lone 0 64 - 0 - HD2 LYS 44 - HE3 LYS 106 lone 0 59 - 0 - HB ILE 56 - HE3 LYS 106 lone 0 78 - 0 - HD3 LYS 39 - HE2 LYS 106 lone 0 44 - 0 - HD2 LYS 17 - HE2 LYS 106 lone 0 68 - 0 - HD2 LYS 39 - HE3 LYS 106 lone 0 44 - 0 - HB ILE 56 - HE2 LYS 106 lone 0 73 - 0 - HD2 LYS 44 - HE2 LYS 106 lone 0 55 - 0 - HD2 LYS 39 - HE2 LYS 106 lone 0 41 - 0 - HD3 LYS 44 - HE3 LYS 106 lone 0 53 - 0 - HD3 LYS 44 - HE2 LYS 106 lone 0 49 - 0 - HG3 ARG 95 - HE3 LYS 106 lone 0 62 - 0 - HG LEU 74 - HE3 LYS 43 lone 0 50 - 0 - HG3 ARG 95 - HE2 LYS 106 lone 0 57 - 0 - HG LEU 74 - HE3 LYS 106 lone 0 50 - 0 - HG LEU 74 - HE2 LYS 106 lone 0 46 - 0 - Peak 3119 from cnoeabs.peaks (1.69, 2.96, 41.78 ppm; 2.40 A): 12 out of 192 assignments used, quality = 1.00: HD2 LYS 20 + HE3 LYS 20 OK 70 100 - 70 - 3.0=52, 3.0/3071=3...(13) HD2 LYS 20 + HE2 LYS 20 OK 70 100 - 70 - 3.0=52, 3.0/3071=3...(13) HD3 LYS 20 + HE2 LYS 20 OK 70 100 - 70 - 3.0=52, 3.0/3070=3...(13) * HD3 LYS 20 + HE3 LYS 20 OK 70 100 - 70 - 3.0=52, 3.0/3070=3...(13) HD2 LYS 40 + HE3 LYS 40 OK 70 98 - 71 - 3.0=53, 1.8/3717=4...(18) HD3 LYS 40 + HE3 LYS 40 OK 69 98 - 71 - 3.0=53, 1.8/3717=4...(18) HD2 LYS 40 + HE2 LYS 40 OK 68 97 - 71 - 3.0=53, 1.8/3717=4...(18) HD3 LYS 40 + HE2 LYS 40 OK 67 96 - 71 - 3.0=53, 1.8/3717=4...(18) HD3 LYS 43 + HE3 LYS 43 OK 51 77 - 66 - 3.0=52, 3847/3.9=3...(11) HD2 LYS 73 + HE3 LYS 73 OK 47 68 - 70 - 2.9=56, 5170/3.8=3...(14) HD2 LYS 43 + HE3 LYS 43 OK 47 71 - 66 - 3.0=52, 3847/3.9=3...(11) HD3 LYS 73 + HE3 LYS 73 OK 47 67 - 70 - 2.9=56, 5170/3.8=3...(14) HD2 LYS 16 - HE2 LYS 40 OK 14 99 - 14 - 3694/3.9=1, 3707=1 HD3 LYS 16 - HE2 LYS 40 OK 13 98 - 14 - 3694/3.9=1 HD2 LYS 16 - HE3 LYS 40 OK 13 100 - 13 - 3694/3.9=1 HD3 LYS 16 - HE3 LYS 40 OK 13 100 - 13 - 3694/3.9=1 HD3 LYS 20 - HE3 LYS 43 OK 12 78 - 16 - 3.0/3070=1, 3.0/3080=1 HD2 LYS 20 - HE3 LYS 43 OK 12 78 - 16 - 3.0/3071=1, 3.0/3080=1 HD2 LYS 40 - HE3 LYS 20 OK 11 99 - 11 - HD2 LYS 40 - HE2 LYS 20 OK 11 99 - 11 - HD3 LYS 40 - HE3 LYS 20 OK 11 98 - 11 - HD3 LYS 40 - HE2 LYS 20 OK 11 98 - 11 - HD2 LYS 73 - HE2 LYS 20 OK 10 100 - 10 - HD2 LYS 73 - HE3 LYS 20 OK 10 100 - 10 - HD3 LYS 73 - HE2 LYS 20 OK 10 100 - 10 - HD3 LYS 73 - HE3 LYS 20 OK 10 100 - 10 - HD3 LYS 20 - HE3 LYS 73 poor 10 68 - 15 - HD2 LYS 20 - HE3 LYS 40 lone 10 100 - 10 - HD3 LYS 20 - HE3 LYS 40 lone 10 100 - 10 - HD2 LYS 20 - HE3 LYS 73 poor 10 68 - 15 - HD3 LYS 43 - HE2 LYS 20 lone 10 100 - 10 - HD3 LYS 43 - HE3 LYS 20 lone 10 100 - 10 - HD2 LYS 20 - HE2 LYS 40 lone 10 99 - 10 - HD3 LYS 20 - HE2 LYS 40 lone 10 99 - 10 - HD2 LYS 43 - HE2 LYS 20 lone 9 96 - 10 - HD2 LYS 43 - HE3 LYS 20 lone 9 96 - 10 - HD2 LYS 73 - HE3 LYS 43 poor 9 78 - 12 - HD3 LYS 73 - HE3 LYS 43 poor 9 77 - 12 - HD2 LYS 40 - HE3 LYS 43 poor 9 75 - 12 - 2.9/3696=1 HD3 LYS 40 - HE3 LYS 43 poor 9 74 - 12 - 2.9/3696=1 HD3 LYS 43 - HE3 LYS 40 lone 8 99 - 8 - HD3 LYS 43 - HE2 LYS 40 lone 8 98 - 8 - HD2 LYS 43 - HE3 LYS 40 lone 8 95 - 8 - HD2 LYS 43 - HE2 LYS 40 lone 7 93 - 8 - HD3 LYS 43 - HE3 LYS 73 lone 6 67 - 10 - HD3 LYS 96 - HE2 LYS 20 lone 6 99 - 6 - HD3 LYS 96 - HE3 LYS 20 lone 6 99 - 6 - HD2 LYS 96 - HE3 LYS 20 lone 6 98 - 6 - HD2 LYS 96 - HE2 LYS 20 lone 6 98 - 6 - HD2 LYS 43 - HE3 LYS 73 lone 6 61 - 10 - HD2 LYS 40 - HE3 LYS 73 lone 4 65 - 7 - HD2 LYS 73 - HE3 LYS 40 lone 4 100 - 4 - HD3 LYS 73 - HE3 LYS 40 lone 4 99 - 4 - HD3 LYS 40 - HE3 LYS 73 lone 4 64 - 7 - HD2 LYS 73 - HE2 LYS 40 lone 4 98 - 4 - HD3 LYS 73 - HE2 LYS 40 lone 4 98 - 4 - HD3 LYS 96 - HE3 LYS 73 lone 4 66 - 6 - HD3 LYS 96 - HE3 LYS 43 lone 4 76 - 5 - HD2 LYS 96 - HE3 LYS 73 lone 4 64 - 6 - HD2 LYS 96 - HE3 LYS 43 lone 4 74 - 5 - HD3 LYS 96 - HE3 LYS 40 lone 4 99 - 4 - HD2 LYS 96 - HE3 LYS 40 lone 4 98 - 4 - HD3 LYS 96 - HE2 LYS 40 lone 4 97 - 4 - HD2 LYS 96 - HE2 LYS 40 lone 3 96 - 4 - HG3 LYS 39 - HE2 LYS 40 lone 3 83 - 4 - HG3 LYS 39 - HE3 LYS 40 lone 3 86 - 4 - HD2 LYS 16 - HE2 LYS 20 lone 2 100 - 2 - HD2 LYS 16 - HE3 LYS 20 lone 2 100 - 2 - HD3 LYS 16 - HE3 LYS 20 lone 2 100 - 2 - HD3 LYS 16 - HE2 LYS 20 lone 2 100 - 2 - HG3 LYS 39 - HE3 LYS 43 lone 2 62 - 3 - HD2 LYS 44 - HE3 LYS 43 lone 2 56 - 3 - HD3 LYS 44 - HE3 LYS 43 lone 1 50 - 3 - HD2 LYS 44 - HE3 LYS 73 lone 1 48 - 3 - HD3 LYS 39 - HE2 LYS 40 lone 1 62 - 2 - HD3 LYS 39 - HE3 LYS 40 lone 1 65 - 2 - HD3 LYS 44 - HE3 LYS 73 lone 1 43 - 3 - HD2 LYS 39 - HE2 LYS 40 lone 1 58 - 2 - HD2 LYS 39 - HE3 LYS 40 lone 1 61 - 2 - HD2 LYS 17 - HE3 LYS 40 lone 1 98 - 1 - HD2 LYS 17 - HE2 LYS 40 lone 1 96 - 1 - HD2 LYS 16 - HE3 LYS 73 lone 1 68 - 1 - HG3 LYS 39 - HE2 LYS 20 lone 1 87 - 1 - HG3 LYS 39 - HE3 LYS 20 lone 1 87 - 1 - HD3 LYS 16 - HE3 LYS 73 lone 1 68 - 1 - HD2 LYS 17 - HE3 LYS 20 lone 1 98 - 1 - HD2 LYS 17 - HE2 LYS 20 lone 1 98 - 1 - HG3 LYS 39 - HE3 LYS 73 lone 1 53 - 2 - HG3 ARG 95 - HE3 LYS 40 lone 1 89 - 1 - HG3 ARG 95 - HE2 LYS 40 lone 1 86 - 1 - HD2 LYS 44 - HE2 LYS 20 lone 1 81 - 1 - HD2 LYS 44 - HE3 LYS 20 lone 1 81 - 1 - HG3 ARG 95 - HE3 LYS 20 lone 1 90 - 1 - HG3 ARG 95 - HE2 LYS 20 lone 1 90 - 1 - HD2 LYS 16 - HE3 LYS 43 lone 1 78 - 1 - HD3 LYS 16 - HE3 LYS 43 lone 1 78 - 1 - HD3 LYS 39 - HE3 LYS 43 lone 1 44 - 2 - HD3 LYS 44 - HE3 LYS 20 lone 1 73 - 1 - HD3 LYS 44 - HE2 LYS 20 lone 1 73 - 1 - HD2 LYS 39 - HE3 LYS 43 lone 1 41 - 2 - HD3 LYS 39 - HE3 LYS 20 lone 1 65 - 1 - HD3 LYS 39 - HE2 LYS 20 lone 1 65 - 1 - HD2 LYS 39 - HE2 LYS 20 lone 1 61 - 1 - HD2 LYS 39 - HE3 LYS 20 lone 1 61 - 1 - HD3 LYS 20 - HE3 LYS 106 lone 0 78 - 1 - HD2 LYS 20 - HE3 LYS 106 lone 0 78 - 1 - HD3 LYS 20 - HE2 LYS 106 lone 0 73 - 1 - HD2 LYS 20 - HE2 LYS 106 lone 0 73 - 1 - HG3 ARG 95 - HE3 LYS 43 lone 0 64 - 1 - HD3 LYS 39 - HE3 LYS 73 lone 0 37 - 1 - HG3 LYS 123 - HE3 LYS 40 lone 0 86 - 0 - HG3 LYS 123 - HE2 LYS 40 lone 0 83 - 0 - HD2 LYS 44 - HE3 LYS 40 lone 0 80 - 0 - HG12 ILE 71 - HE3 LYS 73 lone 0 63 - 1 - HD2 LYS 39 - HE3 LYS 73 lone 0 35 - 1 - HG3 ARG 95 - HE3 LYS 73 lone 0 55 - 1 - HD2 LYS 44 - HE2 LYS 40 lone 0 77 - 0 - HD2 LYS 17 - HE3 LYS 43 lone 0 74 - 0 - HD2 LYS 40 - HE3 LYS 106 lone 0 75 - 0 - HD3 LYS 40 - HE3 LYS 106 lone 0 74 - 0 - HD3 LYS 44 - HE3 LYS 40 lone 0 73 - 0 - HG3 LYS 123 - HE2 LYS 20 lone 0 87 - 0 - HG3 LYS 123 - HE3 LYS 20 lone 0 87 - 0 - HD2 LYS 40 - HE2 LYS 106 lone 0 70 - 0 - HD3 LYS 40 - HE2 LYS 106 lone 0 69 - 0 - HD3 LYS 44 - HE2 LYS 40 lone 0 70 - 0 - HB ILE 56 - HE3 LYS 20 lone 0 100 - 0 - HB ILE 56 - HE2 LYS 20 lone 0 100 - 0 - HG12 ILE 71 - HE3 LYS 106 lone 0 72 - 0 - HD3 LYS 96 - HE3 LYS 106 lone 0 76 - 0 - HD2 LYS 96 - HE3 LYS 106 lone 0 74 - 0 - HG12 ILE 71 - HE2 LYS 20 lone 0 97 - 0 - HG12 ILE 71 - HE3 LYS 20 lone 0 97 - 0 - HG12 ILE 71 - HE2 LYS 106 lone 0 68 - 0 - HB ILE 54 - HE2 LYS 20 lone 0 99 - 0 - HB ILE 54 - HE3 LYS 20 lone 0 99 - 0 - HD3 LYS 96 - HE2 LYS 106 lone 0 71 - 0 - HG3 LYS 123 - HE3 LYS 43 lone 0 62 - 0 - HD2 LYS 96 - HE2 LYS 106 lone 0 69 - 0 - HB ILE 54 - HE3 LYS 40 lone 0 98 - 0 - HB ILE 54 - HE2 LYS 40 lone 0 97 - 0 - HB ILE 54 - HE3 LYS 106 lone 0 75 - 0 - HD2 LYS 16 - HE3 LYS 106 lone 0 78 - 0 - HB ILE 54 - HE2 LYS 106 lone 0 70 - 0 - HD3 LYS 16 - HE3 LYS 106 lone 0 78 - 0 - HG12 ILE 71 - HE3 LYS 40 lone 0 96 - 0 - HD2 LYS 16 - HE2 LYS 106 lone 0 73 - 0 - HD3 LYS 16 - HE2 LYS 106 lone 0 73 - 0 - HD2 LYS 17 - HE3 LYS 73 lone 0 64 - 0 - HG3 LYS 39 - HE3 LYS 106 lone 0 62 - 0 - HD3 LYS 43 - HE3 LYS 106 lone 0 77 - 0 - HG12 ILE 71 - HE2 LYS 40 lone 0 94 - 0 - HB ILE 56 - HE3 LYS 40 lone 0 100 - 0 - HB ILE 56 - HE2 LYS 40 lone 0 98 - 0 - HD3 LYS 43 - HE2 LYS 106 lone 0 72 - 0 - HG3 LYS 39 - HE2 LYS 106 lone 0 57 - 0 - HD2 LYS 73 - HE3 LYS 106 lone 0 78 - 0 - HD3 LYS 73 - HE3 LYS 106 lone 0 77 - 0 - HD2 LYS 43 - HE3 LYS 106 lone 0 71 - 0 - HB ILE 56 - HE3 LYS 43 lone 0 78 - 0 - HG3 LYS 123 - HE3 LYS 73 lone 0 53 - 0 - HG LEU 74 - HE3 LYS 20 lone 0 70 - 0 - HG LEU 74 - HE2 LYS 20 lone 0 70 - 0 - HD2 LYS 73 - HE2 LYS 106 lone 0 73 - 0 - HD3 LYS 73 - HE2 LYS 106 lone 0 72 - 0 - HD2 LYS 43 - HE2 LYS 106 lone 0 66 - 0 - HG12 ILE 71 - HE3 LYS 43 lone 0 72 - 0 - HG LEU 74 - HE3 LYS 73 lone 0 40 - 0 - HG3 LYS 123 - HE3 LYS 106 lone 0 62 - 0 - HB ILE 54 - HE3 LYS 43 lone 0 75 - 0 - HG3 LYS 123 - HE2 LYS 106 lone 0 57 - 0 - HD2 LYS 17 - HE3 LYS 106 lone 0 74 - 0 - HB ILE 54 - HE3 LYS 73 lone 0 65 - 0 - HG LEU 74 - HE3 LYS 40 lone 0 69 - 0 - HB ILE 56 - HE3 LYS 73 lone 0 68 - 0 - HG LEU 74 - HE2 LYS 40 lone 0 66 - 0 - HD2 LYS 17 - HE2 LYS 106 lone 0 69 - 0 - HB ILE 56 - HE3 LYS 106 lone 0 78 - 0 - HD3 LYS 39 - HE3 LYS 106 lone 0 44 - 0 - HD2 LYS 44 - HE3 LYS 106 lone 0 56 - 0 - HB ILE 56 - HE2 LYS 106 lone 0 73 - 0 - HD3 LYS 39 - HE2 LYS 106 lone 0 41 - 0 - HD2 LYS 39 - HE3 LYS 106 lone 0 41 - 0 - HD2 LYS 44 - HE2 LYS 106 lone 0 52 - 0 - HG3 ARG 95 - HE3 LYS 106 lone 0 64 - 0 - HD2 LYS 39 - HE2 LYS 106 lone 0 38 - 0 - HD3 LYS 44 - HE3 LYS 106 lone 0 50 - 0 - HG3 ARG 95 - HE2 LYS 106 lone 0 60 - 0 - HD3 LYS 44 - HE2 LYS 106 lone 0 46 - 0 - HG LEU 74 - HE3 LYS 43 lone 0 47 - 0 - HG LEU 74 - HE3 LYS 106 lone 0 47 - 0 - HG LEU 74 - HE2 LYS 106 lone 0 44 - 0 - Peak 3120 from cnoeabs.peaks (2.96, 2.96, 41.78 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HE3 LYS 20 + HE3 LYS 20 OK 100 100 - 100 HE2 LYS 20 + HE2 LYS 20 OK 100 100 - 100 HE3 LYS 40 + HE3 LYS 40 OK 100 100 - 100 HE2 LYS 40 + HE2 LYS 40 OK 97 97 - 100 HE3 LYS 106 + HE3 LYS 106 OK 64 64 - 100 HE3 LYS 43 + HE3 LYS 43 OK 64 64 - 100 HE2 LYS 106 + HE2 LYS 106 OK 57 57 - 100 HE3 LYS 73 + HE3 LYS 73 OK 50 50 - 100 Reference assignment not found: HE2 LYS 20 - HE3 LYS 20 Peak 3121 from cnoeabs.peaks (2.96, 2.96, 41.78 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: * HE3 LYS 20 + HE3 LYS 20 OK 100 100 - 100 HE2 LYS 20 + HE2 LYS 20 OK 100 100 - 100 HE3 LYS 40 + HE3 LYS 40 OK 100 100 - 100 HE2 LYS 40 + HE2 LYS 40 OK 97 97 - 100 HE3 LYS 106 + HE3 LYS 106 OK 64 64 - 100 HE3 LYS 43 + HE3 LYS 43 OK 64 64 - 100 HE2 LYS 106 + HE2 LYS 106 OK 57 57 - 100 HE3 LYS 73 + HE3 LYS 73 OK 50 50 - 100 Peak 3122 from cnoeabs.peaks (7.67, 3.96, 58.89 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 21 + HA GLU 21 OK 100 100 - 100 - 2.9=100 Peak 3123 from cnoeabs.peaks (3.96, 3.96, 58.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 21 + HA GLU 21 OK 100 100 - 100 Peak 3124 from cnoeabs.peaks (2.12, 3.96, 58.89 ppm; 2.96 A): 3 out of 14 assignments used, quality = 1.00: * HB2 GLU 21 + HA GLU 21 OK 100 100 - 100 - 3.0=100 HG2 GLU 21 + HA GLU 21 OK 60 92 - 66 - 4.0=40, 1.8/3147=11...(12) HG3 GLU 21 + HA GLU 21 OK 57 87 - 66 - 4.0=40, 1.8/3147=11...(12) HB2 LEU 38 - HA GLU 21 lone 1 100 - 1 - HB VAL 107 - HA GLU 21 lone 1 100 - 1 - HG3 GLN 83 - HA GLU 21 lone 1 100 - 1 - HB2 GLU 119 - HA GLU 21 lone 1 100 - 1 - HB3 GLU 119 - HA GLU 21 lone 1 100 - 1 - HB2 GLU 111 - HA GLU 21 lone 0 70 - 1 - HG2 GLU 41 - HA GLU 21 lone 0 70 - 1 - HB3 GLU 92 - HA GLU 21 lone 0 94 - 0 - HB3 GLU 47 - HA GLU 21 lone 0 98 - 0 - HB2 GLU 91 - HA GLU 21 lone 0 94 - 0 - HG2 GLU 52 - HA GLU 21 lone 0 73 - 0 - Peak 3125 from cnoeabs.peaks (1.97, 3.96, 58.89 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 21 + HA GLU 21 OK 100 100 - 100 - 3.0=100 Peak 3126 from cnoeabs.peaks (2.11, 3.96, 58.89 ppm; 2.98 A): 1 out of 1 assignment used, quality = 0.92: HB2 GLU 21 + HA GLU 21 OK 92 92 - 100 - 3.0=100 Reference assignment not found: HG2 GLU 21 - HA GLU 21 Peak 3127 from cnoeabs.peaks (2.10, 3.96, 58.89 ppm; 2.98 A): 1 out of 1 assignment used, quality = 0.87: HB2 GLU 21 + HA GLU 21 OK 87 87 - 100 - 3.0=100 Reference assignment not found: HG3 GLU 21 - HA GLU 21 Peak 3128 from cnoeabs.peaks (7.67, 2.12, 29.43 ppm; 3.52 A): 1 out of 3 assignments used, quality = 0.88: * H GLU 21 + HB2 GLU 21 OK 88 100 - 88 - 4.1=65, 1152/1.8=27...(11) HE ARG 118 - HB2 GLU 21 lone 9 100 - 9 - 3134/1.8=3, 11173/3.0=2...(4) H LEU 63 - HB2 GLU 21 lone 7 98 - 7 - 3134/1.8=2 Peak 3129 from cnoeabs.peaks (3.96, 2.12, 29.43 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 21 + HB2 GLU 21 OK 100 100 - 100 - 3.0=100 Peak 3130 from cnoeabs.peaks (2.12, 2.12, 29.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 21 + HB2 GLU 21 OK 100 100 - 100 Peak 3131 from cnoeabs.peaks (1.97, 2.12, 29.43 ppm; 2.59 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 21 + HB2 GLU 21 OK 100 100 - 100 - 1.8=100 Peak 3132 from cnoeabs.peaks (2.11, 2.12, 29.43 ppm; diagonal): 1 out of 1 assignment used, quality = 0.92: HB2 GLU 21 + HB2 GLU 21 OK 92 92 - 100 Reference assignment not found: HG2 GLU 21 - HB2 GLU 21 Peak 3133 from cnoeabs.peaks (2.10, 2.12, 29.43 ppm; diagonal): 1 out of 1 assignment used, quality = 0.87: HB2 GLU 21 + HB2 GLU 21 OK 87 87 - 100 Reference assignment not found: HG3 GLU 21 - HB2 GLU 21 Peak 3134 from cnoeabs.peaks (7.67, 1.97, 29.43 ppm; 3.83 A): 1 out of 3 assignments used, quality = 0.95: * H GLU 21 + HB3 GLU 21 OK 95 100 - 95 - 4.1=84, 3128/1.8=34...(10) HE ARG 118 - HB3 GLU 21 lone 10 100 - 10 - 3128/1.8=4, 11173/3.0=2 H LEU 63 - HB3 GLU 21 lone 8 98 - 8 - 3128/1.8=3, 3146/3.0=1...(4) Peak 3135 from cnoeabs.peaks (3.96, 1.97, 29.43 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 21 + HB3 GLU 21 OK 100 100 - 100 - 3.0=100 Peak 3136 from cnoeabs.peaks (2.12, 1.97, 29.43 ppm; 2.62 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 21 + HB3 GLU 21 OK 100 100 - 100 - 1.8=100 Peak 3137 from cnoeabs.peaks (1.97, 1.97, 29.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 21 + HB3 GLU 21 OK 100 100 - 100 Peak 3138 from cnoeabs.peaks (2.11, 1.97, 29.43 ppm; 2.58 A): 1 out of 1 assignment used, quality = 0.92: HB2 GLU 21 + HB3 GLU 21 OK 92 92 - 100 - 1.8=100 Reference assignment not found: HG2 GLU 21 - HB3 GLU 21 Peak 3139 from cnoeabs.peaks (2.10, 1.97, 29.43 ppm; 2.58 A): 1 out of 1 assignment used, quality = 0.87: HB2 GLU 21 + HB3 GLU 21 OK 87 87 - 100 - 1.8=100 Reference assignment not found: HG3 GLU 21 - HB3 GLU 21 Peak 3140 from cnoeabs.peaks (7.67, 2.11, 35.31 ppm; 3.70 A): 2 out of 9 assignments used, quality = 0.97: * H GLU 21 + HG2 GLU 21 OK 82 100 - 82 - 5.0=40, 3128/3.0=25...(12) H GLU 21 + HG3 GLU 21 OK 82 100 - 82 - 5.0=40, 3128/3.0=25...(12) HE ARG 118 - HG2 GLU 21 lone 10 100 - 10 - 3128/3.0=3, 3134/3.0=2...(4) HE ARG 118 - HG3 GLU 21 lone 10 100 - 10 - 3128/3.0=3, 3134/3.0=2...(4) H LEU 63 - HG2 GLU 21 lone 7 98 - 8 - 3128/3.0=2, 3134/3.0=2 H LEU 63 - HG3 GLU 21 lone 7 98 - 7 - 3128/3.0=2, 3134/3.0=2 H LEU 63 - HB VAL 107 lone 5 75 - 6 - 9671/2.1=2, 4.0/10315=1 H GLU 21 - HB VAL 107 lone 2 79 - 3 - HE ARG 118 - HB VAL 107 lone 1 79 - 1 - Peak 3141 from cnoeabs.peaks (3.96, 2.11, 35.31 ppm; 3.78 A): 2 out of 9 assignments used, quality = 1.00: * HA GLU 21 + HG2 GLU 21 OK 95 100 - 95 - 4.0=83, 3124/3.0=16...(14) HA GLU 21 + HG3 GLU 21 OK 95 100 - 95 - 4.0=83, 3124/3.0=16...(14) HB3 SER 35 - HB VAL 107 lone 2 57 - 3 - 3.0/8029=1 HA MET 67 - HB VAL 107 lone 1 54 - 3 - ~9708=1 HA GLU 21 - HB VAL 107 lone 1 79 - 1 - HA MET 67 - HG2 GLU 21 lone 1 77 - 1 - HA MET 67 - HG3 GLU 21 lone 1 76 - 1 - HB3 SER 35 - HG2 GLU 21 lone 1 81 - 1 - HB3 SER 35 - HG3 GLU 21 lone 1 80 - 1 - Peak 3142 from cnoeabs.peaks (2.12, 2.11, 35.31 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG2 GLU 21 + HG2 GLU 21 OK 92 92 - 100 HG3 GLU 21 + HG3 GLU 21 OK 86 86 - 100 HB VAL 107 + HB VAL 107 OK 79 79 - 100 Reference assignment not found: HB2 GLU 21 - HG2 GLU 21 Peak 3143 from cnoeabs.peaks (1.97, 2.11, 35.31 ppm; 3.00 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 21 + HG2 GLU 21 OK 100 100 - 100 - 3.0=100 HB3 GLU 21 + HG3 GLU 21 OK 100 100 - 100 - 3.0=100 Peak 3144 from cnoeabs.peaks (2.11, 2.11, 35.31 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 GLU 21 + HG2 GLU 21 OK 100 100 - 100 HG3 GLU 21 + HG3 GLU 21 OK 100 100 - 100 HB VAL 107 + HB VAL 107 OK 68 68 - 100 Peak 3145 from cnoeabs.peaks (2.10, 2.11, 35.31 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG2 GLU 21 + HG2 GLU 21 OK 100 100 - 100 HG3 GLU 21 + HG3 GLU 21 OK 100 100 - 100 HB VAL 107 + HB VAL 107 OK 63 63 - 100 Reference assignment not found: HG3 GLU 21 - HG2 GLU 21 Peak 3146 from cnoeabs.peaks (7.67, 2.10, 35.31 ppm; 3.70 A): 2 out of 9 assignments used, quality = 0.97: * H GLU 21 + HG3 GLU 21 OK 82 100 - 82 - 5.0=40, 3128/3.0=25...(12) H GLU 21 + HG2 GLU 21 OK 82 100 - 82 - 5.0=40, 3128/3.0=25...(12) HE ARG 118 - HG3 GLU 21 lone 10 100 - 10 - 3128/3.0=3, 3134/3.0=2...(4) HE ARG 118 - HG2 GLU 21 lone 10 100 - 10 - 3128/3.0=3, 3134/3.0=2...(4) H LEU 63 - HG3 GLU 21 lone 8 98 - 8 - 3128/3.0=2, 3134/3.0=2 H LEU 63 - HG2 GLU 21 lone 7 98 - 8 - 3128/3.0=2, 3134/3.0=2 H LEU 63 - HB VAL 107 lone 4 66 - 6 - 9671/2.1=2, ~11252=1 H GLU 21 - HB VAL 107 lone 2 70 - 3 - HE ARG 118 - HB VAL 107 lone 1 70 - 1 - Peak 3147 from cnoeabs.peaks (3.96, 2.10, 35.31 ppm; 3.78 A): 2 out of 9 assignments used, quality = 1.00: * HA GLU 21 + HG3 GLU 21 OK 95 100 - 95 - 4.0=83, 3124/3.0=16...(14) HA GLU 21 + HG2 GLU 21 OK 95 100 - 95 - 4.0=83, 3124/3.0=16...(14) HB3 SER 35 - HB VAL 107 lone 2 49 - 3 - 3.0/8029=1 HA MET 67 - HB VAL 107 lone 1 47 - 2 - ~9708=1 HA GLU 21 - HB VAL 107 lone 1 70 - 1 - HA MET 67 - HG3 GLU 21 lone 1 77 - 1 - HA MET 67 - HG2 GLU 21 lone 1 76 - 1 - HB3 SER 35 - HG3 GLU 21 lone 1 81 - 1 - HB3 SER 35 - HG2 GLU 21 lone 1 80 - 1 - Peak 3148 from cnoeabs.peaks (2.12, 2.10, 35.31 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG2 GLU 21 + HG2 GLU 21 OK 91 91 - 100 HG3 GLU 21 + HG3 GLU 21 OK 87 87 - 100 HB VAL 107 + HB VAL 107 OK 70 70 - 100 Reference assignment not found: HB2 GLU 21 - HG3 GLU 21 Peak 3149 from cnoeabs.peaks (1.97, 2.10, 35.31 ppm; 3.00 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 21 + HG3 GLU 21 OK 100 100 - 100 - 3.0=100 HB3 GLU 21 + HG2 GLU 21 OK 100 100 - 100 - 3.0=100 Peak 3150 from cnoeabs.peaks (2.11, 2.10, 35.31 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HG3 GLU 21 + HG3 GLU 21 OK 100 100 - 100 HG2 GLU 21 + HG2 GLU 21 OK 100 100 - 100 HB VAL 107 + HB VAL 107 OK 59 59 - 100 Reference assignment not found: HG2 GLU 21 - HG3 GLU 21 Peak 3151 from cnoeabs.peaks (2.10, 2.10, 35.31 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 GLU 21 + HG3 GLU 21 OK 100 100 - 100 HG2 GLU 21 + HG2 GLU 21 OK 100 100 - 100 HB VAL 107 + HB VAL 107 OK 54 54 - 100 Peak 3152 from cnoeabs.peaks (4.13, 4.13, 62.80 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA VAL 22 + HA VAL 22 OK 100 100 - 100 HB3 SER 72 + HB3 SER 72 OK 71 71 - 100 HB2 SER 72 + HB2 SER 72 OK 71 71 - 100 Peak 3153 from cnoeabs.peaks (1.98, 4.13, 62.80 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 22 + HA VAL 22 OK 100 100 - 100 - 3.0=100 Peak 3154 from cnoeabs.peaks (0.85, 4.13, 62.80 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 22 + HA VAL 22 OK 100 100 - 100 - 3.2=100 Peak 3155 from cnoeabs.peaks (0.64, 4.13, 62.80 ppm; 3.37 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 22 + HA VAL 22 OK 100 100 - 100 - 3.2=100 Peak 3156 from cnoeabs.peaks (4.13, 1.98, 29.83 ppm; 3.47 A): 1 out of 2 assignments used, quality = 1.00: * HA VAL 22 + HB VAL 22 OK 100 100 - 100 - 3.0=100 HA ARG 95 - HB3 ARG 95 OK 34 34 - 100 - 3.0=100 Peak 3157 from cnoeabs.peaks (1.98, 1.98, 29.83 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB VAL 22 + HB VAL 22 OK 100 100 - 100 HB3 ARG 95 - HB3 ARG 95 OK 44 44 - 100 Peak 3158 from cnoeabs.peaks (0.85, 1.98, 29.83 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 22 + HB VAL 22 OK 100 100 - 100 - 2.1=100 Peak 3159 from cnoeabs.peaks (0.64, 1.98, 29.83 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 22 + HB VAL 22 OK 100 100 - 100 - 2.1=100 Peak 3160 from cnoeabs.peaks (4.13, 0.85, 19.94 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 22 + QG2 VAL 22 OK 100 100 - 100 - 3.2=100 Peak 3161 from cnoeabs.peaks (1.98, 0.85, 19.94 ppm; 3.32 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 22 + QG2 VAL 22 OK 100 100 - 100 - 2.1=100 Peak 3162 from cnoeabs.peaks (0.85, 0.85, 19.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 22 + QG2 VAL 22 OK 100 100 - 100 Peak 3163 from cnoeabs.peaks (0.64, 0.85, 19.94 ppm; 2.99 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 22 + QG2 VAL 22 OK 100 100 - 100 - 2.1=100 Peak 3164 from cnoeabs.peaks (4.13, 0.64, 20.11 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 22 + QG1 VAL 22 OK 100 100 - 100 - 3.2=100 Peak 3165 from cnoeabs.peaks (1.98, 0.64, 20.11 ppm; 3.25 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 22 + QG1 VAL 22 OK 100 100 - 100 - 2.1=100 Peak 3166 from cnoeabs.peaks (0.85, 0.64, 20.11 ppm; 2.96 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 22 + QG1 VAL 22 OK 100 100 - 100 - 2.1=100 Peak 3167 from cnoeabs.peaks (0.64, 0.64, 20.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 22 + QG1 VAL 22 OK 100 100 - 100 Peak 3199 from cnoeabs.peaks (4.72, 4.72, 58.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 24 + HA ASN 24 OK 100 100 - 100 Peak 3205 from cnoeabs.peaks (4.72, 2.97, 38.17 ppm; 3.29 A): 2 out of 2 assignments used, quality = 1.00: HA ASN 24 + HB3 ASN 24 OK 100 100 - 100 - 3.0=100 * HA ASN 24 + HB2 ASN 24 OK 100 100 - 100 - 3.0=100 Peak 3206 from cnoeabs.peaks (2.97, 2.97, 38.17 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 ASN 24 + HB3 ASN 24 OK 100 100 - 100 * HB2 ASN 24 + HB2 ASN 24 OK 100 100 - 100 Peak 3207 from cnoeabs.peaks (2.97, 2.97, 38.17 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 ASN 24 + HB3 ASN 24 OK 100 100 - 100 HB2 ASN 24 + HB2 ASN 24 OK 100 100 - 100 Reference assignment not found: HB3 ASN 24 - HB2 ASN 24 Peak 3208 from cnoeabs.peaks (7.69, 2.97, 38.17 ppm; 3.76 A): 2 out of 2 assignments used, quality = 1.00: HD21 ASN 24 + HB3 ASN 24 OK 100 100 - 100 - 3.5=100 * HD21 ASN 24 + HB2 ASN 24 OK 100 100 - 100 - 3.5=100 Peak 3209 from cnoeabs.peaks (6.94, 2.97, 38.17 ppm; 4.41 A): 2 out of 2 assignments used, quality = 1.00: HD22 ASN 24 + HB3 ASN 24 OK 100 100 - 100 - 3.5=100 * HD22 ASN 24 + HB2 ASN 24 OK 100 100 - 100 - 3.5=100 Peak 3211 from cnoeabs.peaks (4.72, 2.97, 38.17 ppm; 3.29 A): 2 out of 2 assignments used, quality = 1.00: * HA ASN 24 + HB3 ASN 24 OK 100 100 - 100 - 3.0=100 HA ASN 24 + HB2 ASN 24 OK 100 100 - 100 - 3.0=100 Peak 3212 from cnoeabs.peaks (2.97, 2.97, 38.17 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 ASN 24 + HB3 ASN 24 OK 100 100 - 100 HB2 ASN 24 + HB2 ASN 24 OK 100 100 - 100 Reference assignment not found: HB2 ASN 24 - HB3 ASN 24 Peak 3213 from cnoeabs.peaks (2.97, 2.97, 38.17 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASN 24 + HB3 ASN 24 OK 100 100 - 100 HB2 ASN 24 + HB2 ASN 24 OK 100 100 - 100 Peak 3214 from cnoeabs.peaks (7.69, 2.97, 38.17 ppm; 3.76 A): 2 out of 2 assignments used, quality = 1.00: * HD21 ASN 24 + HB3 ASN 24 OK 100 100 - 100 - 3.5=100 HD21 ASN 24 + HB2 ASN 24 OK 100 100 - 100 - 3.5=100 Peak 3215 from cnoeabs.peaks (6.94, 2.97, 38.17 ppm; 4.41 A): 2 out of 2 assignments used, quality = 1.00: * HD22 ASN 24 + HB3 ASN 24 OK 100 100 - 100 - 3.5=100 HD22 ASN 24 + HB2 ASN 24 OK 100 100 - 100 - 3.5=100 Peak 3216 from cnoeabs.peaks (4.65, 2.38, 33.39 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 25 + HG2 GLN 25 OK 100 100 - 100 - 4.0=100 Peak 3217 from cnoeabs.peaks (2.02, 2.38, 33.39 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 25 + HG2 GLN 25 OK 100 100 - 100 - 3.0=100 Peak 3218 from cnoeabs.peaks (2.81, 2.38, 33.39 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 25 + HG2 GLN 25 OK 100 100 - 100 - 3.0=100 Peak 3219 from cnoeabs.peaks (2.38, 2.38, 33.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 25 + HG2 GLN 25 OK 100 100 - 100 Peak 3220 from cnoeabs.peaks (2.52, 2.38, 33.39 ppm; 2.58 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 25 + HG2 GLN 25 OK 100 100 - 100 - 1.8=100 Peak 3221 from cnoeabs.peaks (7.56, 2.38, 33.39 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 25 + HG2 GLN 25 OK 100 100 - 100 - 3.5=100 Peak 3222 from cnoeabs.peaks (6.88, 2.38, 33.39 ppm; 4.54 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 25 + HG2 GLN 25 OK 100 100 - 100 - 3.5=100 Peak 3223 from cnoeabs.peaks (4.65, 2.52, 33.39 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 25 + HG3 GLN 25 OK 100 100 - 100 - 4.0=100 Peak 3224 from cnoeabs.peaks (2.02, 2.52, 33.39 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 25 + HG3 GLN 25 OK 100 100 - 100 - 3.0=100 Peak 3225 from cnoeabs.peaks (2.81, 2.52, 33.39 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 25 + HG3 GLN 25 OK 100 100 - 100 - 3.0=100 Peak 3226 from cnoeabs.peaks (2.38, 2.52, 33.39 ppm; 2.45 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 25 + HG3 GLN 25 OK 100 100 - 100 - 1.8=100 Peak 3227 from cnoeabs.peaks (2.52, 2.52, 33.39 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 25 + HG3 GLN 25 OK 100 100 - 100 HG3 GLN 122 + HG3 GLN 122 OK 91 91 - 100 Peak 3228 from cnoeabs.peaks (7.56, 2.52, 33.39 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 25 + HG3 GLN 25 OK 100 100 - 100 - 3.5=100 Peak 3229 from cnoeabs.peaks (6.88, 2.52, 33.39 ppm; 4.96 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 25 + HG3 GLN 25 OK 100 100 - 100 - 3.5=100 Peak 3230 from cnoeabs.peaks (8.02, 3.81, 45.96 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 26 + HA2 GLY 26 OK 100 100 - 100 - 3.0=100 Peak 3231 from cnoeabs.peaks (3.81, 3.81, 45.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 26 + HA2 GLY 26 OK 100 100 - 100 Peak 3232 from cnoeabs.peaks (4.13, 3.81, 45.96 ppm; 2.98 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 26 + HA2 GLY 26 OK 100 100 - 100 - 1.8=100 Peak 3233 from cnoeabs.peaks (8.02, 4.13, 45.96 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 26 + HA3 GLY 26 OK 100 100 - 100 - 3.0=100 Peak 3234 from cnoeabs.peaks (3.81, 4.13, 45.96 ppm; 2.99 A): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 26 + HA3 GLY 26 OK 100 100 - 100 - 1.8=100 Peak 3235 from cnoeabs.peaks (4.13, 4.13, 45.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 26 + HA3 GLY 26 OK 100 100 - 100 Peak 3236 from cnoeabs.peaks (7.84, 4.43, 58.05 ppm; 5.81 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 27 + HA TYR 27 OK 100 100 - 100 - 3.0=100 Peak 3237 from cnoeabs.peaks (4.43, 4.43, 58.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TYR 27 + HA TYR 27 OK 100 100 - 100 Peak 3238 from cnoeabs.peaks (2.66, 4.43, 58.05 ppm; 4.58 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 27 + HA TYR 27 OK 100 100 - 100 - 3.0=100 Peak 3239 from cnoeabs.peaks (2.37, 4.43, 58.05 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 27 + HA TYR 27 OK 100 100 - 100 - 3.0=100 Peak 3243 from cnoeabs.peaks (6.79, 4.43, 58.05 ppm; 4.90 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 27 + HA TYR 27 OK 100 100 - 100 - 3.7=100 Peak 3244 from cnoeabs.peaks (7.84, 2.66, 39.01 ppm; 5.34 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 27 + HB2 TYR 27 OK 100 100 - 100 - 3.9=100 Peak 3245 from cnoeabs.peaks (4.43, 2.66, 39.01 ppm; 5.10 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 27 + HB2 TYR 27 OK 100 100 - 100 - 3.0=100 Peak 3246 from cnoeabs.peaks (2.66, 2.66, 39.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 27 + HB2 TYR 27 OK 100 100 - 100 Peak 3247 from cnoeabs.peaks (2.37, 2.66, 39.01 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 27 + HB2 TYR 27 OK 100 100 - 100 - 1.8=100 Peak 3251 from cnoeabs.peaks (6.79, 2.66, 39.01 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 27 + HB2 TYR 27 OK 100 100 - 100 - 2.5=100 Peak 3252 from cnoeabs.peaks (7.84, 2.37, 39.01 ppm; 5.85 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 27 + HB3 TYR 27 OK 100 100 - 100 - 3.9=100 Peak 3253 from cnoeabs.peaks (4.43, 2.37, 39.01 ppm; 4.94 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 27 + HB3 TYR 27 OK 100 100 - 100 - 3.0=100 Peak 3254 from cnoeabs.peaks (2.66, 2.37, 39.01 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 27 + HB3 TYR 27 OK 100 100 - 100 - 1.8=100 Peak 3255 from cnoeabs.peaks (2.37, 2.37, 39.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 27 + HB3 TYR 27 OK 100 100 - 100 Peak 3259 from cnoeabs.peaks (6.79, 2.37, 39.01 ppm; 4.20 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 27 + HB3 TYR 27 OK 100 100 - 100 - 2.5=100 Peak 3270 from cnoeabs.peaks (2.66, 6.59, 117.91 ppm; 5.63 A): 1 out of 1 assignment used, quality = 0.95: * HB2 TYR 27 + QE TYR 27 OK 95 95 - 100 - 4.4=100 Peak 3271 from cnoeabs.peaks (2.37, 6.59, 117.91 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.95: * HB3 TYR 27 + QE TYR 27 OK 95 95 - 100 - 4.4=100 Peak 3274 from cnoeabs.peaks (6.59, 6.59, 117.91 ppm; diagonal): 1 out of 1 assignment used, quality = 0.95: * QE TYR 27 + QE TYR 27 OK 95 95 - 100 Peak 3275 from cnoeabs.peaks (6.79, 6.59, 117.91 ppm; 3.27 A): 1 out of 1 assignment used, quality = 0.95: * QD TYR 27 + QE TYR 27 OK 95 95 - 100 - 2.2=100 Peak 3276 from cnoeabs.peaks (7.84, 6.79, 132.82 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.89: * H TYR 27 + QD TYR 27 OK 89 89 - 100 - 4.4=100 Peak 3278 from cnoeabs.peaks (2.66, 6.79, 132.82 ppm; 5.98 A): 1 out of 1 assignment used, quality = 0.89: * HB2 TYR 27 + QD TYR 27 OK 89 89 - 100 - 2.5=100 Peak 3279 from cnoeabs.peaks (2.37, 6.79, 132.82 ppm; 5.65 A): 1 out of 1 assignment used, quality = 0.89: * HB3 TYR 27 + QD TYR 27 OK 89 89 - 100 - 2.5=100 Peak 3282 from cnoeabs.peaks (6.59, 6.79, 132.82 ppm; 4.34 A): 1 out of 1 assignment used, quality = 0.89: * QE TYR 27 + QD TYR 27 OK 89 89 - 100 - 2.2=100 Peak 3283 from cnoeabs.peaks (6.79, 6.79, 132.82 ppm; diagonal): 1 out of 1 assignment used, quality = 0.89: * QD TYR 27 + QD TYR 27 OK 89 89 - 100 Peak 3284 from cnoeabs.peaks (8.34, 4.50, 54.38 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 28 + HA GLN 28 OK 100 100 - 100 - 3.0=100 Peak 3285 from cnoeabs.peaks (4.50, 4.50, 54.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 28 + HA GLN 28 OK 100 100 - 100 Peak 3286 from cnoeabs.peaks (2.06, 4.50, 54.38 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 28 + HA GLN 28 OK 100 100 - 100 - 3.0=100 Peak 3287 from cnoeabs.peaks (1.78, 4.50, 54.38 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 28 + HA GLN 28 OK 100 100 - 100 - 3.0=100 Peak 3288 from cnoeabs.peaks (2.24, 4.50, 54.38 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 28 + HA GLN 28 OK 100 100 - 100 - 3.8=100 Peak 3289 from cnoeabs.peaks (2.20, 4.50, 54.38 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 28 + HA GLN 28 OK 100 100 - 100 - 3.8=100 Peak 3292 from cnoeabs.peaks (8.34, 2.06, 30.45 ppm; 4.20 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 28 + HB2 GLN 28 OK 100 100 - 100 - 4.0=100 Peak 3293 from cnoeabs.peaks (4.50, 2.06, 30.45 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 28 + HB2 GLN 28 OK 100 100 - 100 - 3.0=100 Peak 3294 from cnoeabs.peaks (2.06, 2.06, 30.45 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HB2 GLN 28 + HB2 GLN 28 OK 100 100 - 100 HB2 GLU 47 + HB2 GLU 47 OK 91 91 - 100 HB VAL 117 - HB VAL 117 OK 16 16 - 100 Peak 3295 from cnoeabs.peaks (1.78, 2.06, 30.45 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 28 + HB2 GLN 28 OK 100 100 - 100 - 1.8=100 Peak 3296 from cnoeabs.peaks (2.24, 2.06, 30.45 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 28 + HB2 GLN 28 OK 100 100 - 100 - 3.0=100 Peak 3297 from cnoeabs.peaks (2.20, 2.06, 30.45 ppm; 3.46 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 28 + HB2 GLN 28 OK 100 100 - 100 - 3.0=100 Peak 3299 from cnoeabs.peaks (7.01, 2.06, 30.45 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 28 + HB2 GLN 28 OK 100 100 - 100 - 4.5=100 Peak 3300 from cnoeabs.peaks (8.34, 1.78, 30.45 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 28 + HB3 GLN 28 OK 100 100 - 100 - 4.0=100 Peak 3301 from cnoeabs.peaks (4.50, 1.78, 30.45 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 28 + HB3 GLN 28 OK 100 100 - 100 - 3.0=100 Peak 3302 from cnoeabs.peaks (2.06, 1.78, 30.45 ppm; 3.22 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 28 + HB3 GLN 28 OK 100 100 - 100 - 1.8=100 Peak 3303 from cnoeabs.peaks (1.78, 1.78, 30.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 28 + HB3 GLN 28 OK 100 100 - 100 Peak 3304 from cnoeabs.peaks (2.24, 1.78, 30.45 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 28 + HB3 GLN 28 OK 100 100 - 100 - 3.0=100 Peak 3305 from cnoeabs.peaks (2.20, 1.78, 30.45 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 28 + HB3 GLN 28 OK 100 100 - 100 - 3.0=100 Peak 3308 from cnoeabs.peaks (8.34, 2.24, 33.72 ppm; 4.63 A): 1 out of 3 assignments used, quality = 0.94: * H GLN 28 + HG2 GLN 28 OK 94 100 - 94 - 5.2=70, 1183/1.8=40...(7) H GLU 103 - HG2 GLN 28 lone 5 57 - 9 - 4.7/4686=8 H PHE 51 - HG2 GLN 28 lone 1 100 - 1 - Peak 3309 from cnoeabs.peaks (4.50, 2.24, 33.72 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 28 + HG2 GLN 28 OK 100 100 - 100 - 3.8=100 Peak 3310 from cnoeabs.peaks (2.06, 2.24, 33.72 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 28 + HG2 GLN 28 OK 100 100 - 100 - 3.0=100 Peak 3311 from cnoeabs.peaks (1.78, 2.24, 33.72 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 28 + HG2 GLN 28 OK 100 100 - 100 - 3.0=100 Peak 3312 from cnoeabs.peaks (2.24, 2.24, 33.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 28 + HG2 GLN 28 OK 100 100 - 100 Peak 3313 from cnoeabs.peaks (2.20, 2.24, 33.72 ppm; 2.60 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 28 + HG2 GLN 28 OK 100 100 - 100 - 1.8=100 Peak 3314 from cnoeabs.peaks (7.52, 2.24, 33.72 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 28 + HG2 GLN 28 OK 100 100 - 100 - 3.5=100 Peak 3315 from cnoeabs.peaks (7.01, 2.24, 33.72 ppm; 5.80 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 28 + HG2 GLN 28 OK 100 100 - 100 - 3.5=100 Peak 3316 from cnoeabs.peaks (8.34, 2.20, 33.72 ppm; 5.69 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 28 + HG3 GLN 28 OK 100 100 - 100 - 5.2=100 Peak 3317 from cnoeabs.peaks (4.50, 2.20, 33.72 ppm; 4.67 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 28 + HG3 GLN 28 OK 100 100 - 100 - 3.8=100 Peak 3318 from cnoeabs.peaks (2.06, 2.20, 33.72 ppm; 3.29 A): 2 out of 2 assignments used, quality = 1.00: * HB2 GLN 28 + HG3 GLN 28 OK 100 100 - 100 - 3.0=100 HB3 MET 67 + HB2 MET 67 OK 46 46 - 100 - 1.8=100 Peak 3319 from cnoeabs.peaks (1.78, 2.20, 33.72 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 28 + HG3 GLN 28 OK 100 100 - 100 - 3.0=100 Peak 3320 from cnoeabs.peaks (2.24, 2.20, 33.72 ppm; 2.68 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 28 + HG3 GLN 28 OK 100 100 - 100 - 1.8=100 Peak 3321 from cnoeabs.peaks (2.20, 2.20, 33.72 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 28 + HG3 GLN 28 OK 100 100 - 100 HB2 MET 67 + HB2 MET 67 OK 63 63 - 100 Peak 3322 from cnoeabs.peaks (7.52, 2.20, 33.72 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 28 + HG3 GLN 28 OK 100 100 - 100 - 3.5=100 Peak 3323 from cnoeabs.peaks (7.01, 2.20, 33.72 ppm; 6.15 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 28 + HG3 GLN 28 OK 100 100 - 100 - 3.5=100 Peak 3324 from cnoeabs.peaks (8.78, 5.04, 61.49 ppm; 5.98 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 29 + HA VAL 29 OK 100 100 - 100 - 3.0=100 Peak 3325 from cnoeabs.peaks (5.04, 5.04, 61.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 29 + HA VAL 29 OK 100 100 - 100 Peak 3326 from cnoeabs.peaks (1.95, 5.04, 61.49 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 29 + HA VAL 29 OK 100 100 - 100 - 3.0=100 Peak 3327 from cnoeabs.peaks (0.90, 5.04, 61.49 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 29 + HA VAL 29 OK 100 100 - 100 - 3.2=100 Peak 3328 from cnoeabs.peaks (0.80, 5.04, 61.49 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 29 + HA VAL 29 OK 100 100 - 100 - 3.2=100 Peak 3329 from cnoeabs.peaks (8.78, 1.95, 32.47 ppm; 3.43 A): 2 out of 10 assignments used, quality = 0.89: * H VAL 29 + HB VAL 29 OK 84 100 - 84 - 3.8=71, 1189/2.1=27, 1190/2.1=24 H MET 42 + HB3 LYS 40 OK 31 87 - 36 - 238/4.6=15, 8062/3.0=9...(5) H ILE 18 - HB3 LYS 40 lone 7 78 - 9 - 94/1.8=3, 8062/3.0=3...(4) H VAL 29 - HB3 LYS 40 lone 3 88 - 4 - 1188=1 H MET 42 - HB VAL 29 lone 3 100 - 3 - 3334/2.1=1 H ILE 18 - HB VAL 29 lone 3 94 - 3 - H ILE 5 - HB3 LYS 40 lone 1 73 - 1 - H ILE 5 - HB VAL 29 lone 1 90 - 1 - H ASN 59 - HB3 LYS 40 lone 0 51 - 1 - H ASN 59 - HB VAL 29 lone 0 65 - 0 - Peak 3330 from cnoeabs.peaks (5.04, 1.95, 32.47 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 29 + HB VAL 29 OK 100 100 - 100 - 3.0=100 Peak 3331 from cnoeabs.peaks (1.95, 1.95, 32.47 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB VAL 29 + HB VAL 29 OK 100 100 - 100 HB3 LYS 40 + HB3 LYS 40 OK 80 80 - 100 Peak 3332 from cnoeabs.peaks (0.90, 1.95, 32.47 ppm; 3.15 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 29 + HB VAL 29 OK 100 100 - 100 - 2.1=100 Peak 3333 from cnoeabs.peaks (0.80, 1.95, 32.47 ppm; 3.10 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 29 + HB VAL 29 OK 100 100 - 100 - 2.1=100 Peak 3334 from cnoeabs.peaks (8.78, 0.90, 21.87 ppm; 3.79 A): 1 out of 10 assignments used, quality = 0.94: * H VAL 29 + QG2 VAL 29 OK 94 100 - 94 - 4.0=85, 1188/2.1=30...(6) H MET 42 - QG2 VAL 29 lone 5 100 - 5 - H VAL 29 - QG2 VAL 104 lone 4 64 - 7 - 1189=2, 3.6/9240=2, 4.6/9235=1 H ILE 18 - QG2 VAL 29 lone 3 94 - 3 - H MET 42 - QG2 VAL 104 lone 3 63 - 4 - H ILE 18 - QG2 VAL 104 lone 1 55 - 1 - H ILE 5 - QG2 VAL 29 lone 1 90 - 1 - H ASN 59 - QG2 VAL 29 lone 0 65 - 1 - H ILE 5 - QG2 VAL 104 lone 0 51 - 1 - H ASN 59 - QG2 VAL 104 lone 0 35 - 0 - Peak 3335 from cnoeabs.peaks (5.04, 0.90, 21.87 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 29 + QG2 VAL 29 OK 100 100 - 100 - 3.2=100 Peak 3336 from cnoeabs.peaks (1.95, 0.90, 21.87 ppm; 3.05 A): 2 out of 2 assignments used, quality = 1.00: * HB VAL 29 + QG2 VAL 29 OK 100 100 - 100 - 2.1=100 HB VAL 104 + QG2 VAL 104 OK 58 58 - 100 - 2.1=100 Peak 3337 from cnoeabs.peaks (0.90, 0.90, 21.87 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG2 VAL 29 + QG2 VAL 29 OK 100 100 - 100 QG2 VAL 104 + QG2 VAL 104 OK 49 49 - 100 Peak 3338 from cnoeabs.peaks (0.80, 0.90, 21.87 ppm; 2.54 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 29 + QG2 VAL 29 OK 100 100 - 100 - 2.1=100 Peak 3339 from cnoeabs.peaks (8.78, 0.80, 21.46 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 29 + QG1 VAL 29 OK 100 100 - 100 - 4.0=100 Peak 3340 from cnoeabs.peaks (5.04, 0.80, 21.46 ppm; 3.41 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 29 + QG1 VAL 29 OK 100 100 - 100 - 3.2=100 Peak 3341 from cnoeabs.peaks (1.95, 0.80, 21.46 ppm; 3.04 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 29 + QG1 VAL 29 OK 100 100 - 100 - 2.1=100 Peak 3342 from cnoeabs.peaks (0.90, 0.80, 21.46 ppm; 2.49 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 29 + QG1 VAL 29 OK 100 100 - 100 - 2.1=100 Peak 3343 from cnoeabs.peaks (0.80, 0.80, 21.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 29 + QG1 VAL 29 OK 100 100 - 100 Peak 3345 from cnoeabs.peaks (4.74, 4.74, 53.79 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ARG 30 + HA ARG 30 OK 100 100 - 100 HA ASP 109 + HA ASP 109 OK 99 99 - 100 Peak 3346 from cnoeabs.peaks (1.65, 4.74, 53.79 ppm; 4.85 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 30 + HA ARG 30 OK 100 100 - 100 - 3.0=100 Peak 3347 from cnoeabs.peaks (1.51, 4.74, 53.79 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 30 + HA ARG 30 OK 100 100 - 100 - 3.0=100 HG2 ARG 30 + HA ARG 30 OK 70 70 - 100 - 3.9=100 Peak 3348 from cnoeabs.peaks (1.50, 4.74, 53.79 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 30 + HA ARG 30 OK 100 100 - 100 - 3.9=100 HB3 ARG 30 + HA ARG 30 OK 70 70 - 100 - 3.0=100 Peak 3349 from cnoeabs.peaks (1.45, 4.74, 53.79 ppm; 4.42 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 30 + HA ARG 30 OK 100 100 - 100 - 3.9=100 Peak 3352 from cnoeabs.peaks (9.13, 1.65, 32.39 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 30 + HB2 ARG 30 OK 100 100 - 100 - 4.0=100 Peak 3353 from cnoeabs.peaks (4.74, 1.65, 32.39 ppm; 4.68 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 30 + HB2 ARG 30 OK 100 100 - 100 - 3.0=100 Peak 3354 from cnoeabs.peaks (1.65, 1.65, 32.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 30 + HB2 ARG 30 OK 100 100 - 100 Peak 3355 from cnoeabs.peaks (1.51, 1.65, 32.39 ppm; 3.69 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 30 + HB2 ARG 30 OK 100 100 - 100 - 1.8=100 HG2 ARG 30 + HB2 ARG 30 OK 70 70 - 100 - 2.8=100 Peak 3356 from cnoeabs.peaks (1.50, 1.65, 32.39 ppm; 3.78 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 30 + HB2 ARG 30 OK 100 100 - 100 - 2.8=100 HB3 ARG 30 + HB2 ARG 30 OK 70 70 - 100 - 1.8=100 Peak 3357 from cnoeabs.peaks (1.45, 1.65, 32.39 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 30 + HB2 ARG 30 OK 100 100 - 100 - 2.8=100 Peak 3358 from cnoeabs.peaks (3.33, 1.65, 32.39 ppm; 5.99 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 30 + HB2 ARG 30 OK 100 100 - 100 - 3.6=100 Peak 3359 from cnoeabs.peaks (2.93, 1.65, 32.39 ppm; 5.17 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 30 + HB2 ARG 30 OK 100 100 - 100 - 3.6=100 Peak 3360 from cnoeabs.peaks (9.13, 1.51, 32.39 ppm; 5.32 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 30 + HB3 ARG 30 OK 100 100 - 100 - 4.0=100 Peak 3361 from cnoeabs.peaks (4.74, 1.51, 32.39 ppm; 5.06 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 30 + HB3 ARG 30 OK 100 100 - 100 - 3.0=100 Peak 3362 from cnoeabs.peaks (1.65, 1.51, 32.39 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 30 + HB3 ARG 30 OK 100 100 - 100 - 1.8=100 Peak 3363 from cnoeabs.peaks (1.51, 1.51, 32.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 30 + HB3 ARG 30 OK 100 100 - 100 Peak 3364 from cnoeabs.peaks (1.50, 1.51, 32.39 ppm; diagonal): 1 out of 1 assignment used, quality = 0.70: HB3 ARG 30 + HB3 ARG 30 OK 70 70 - 100 Reference assignment not found: HG2 ARG 30 - HB3 ARG 30 Peak 3365 from cnoeabs.peaks (1.45, 1.51, 32.39 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 30 + HB3 ARG 30 OK 100 100 - 100 - 2.8=100 Peak 3366 from cnoeabs.peaks (3.33, 1.51, 32.39 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 30 + HB3 ARG 30 OK 100 100 - 100 - 3.6=100 Peak 3367 from cnoeabs.peaks (2.93, 1.51, 32.39 ppm; 6.14 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 30 + HB3 ARG 30 OK 100 100 - 100 - 3.6=100 Peak 3368 from cnoeabs.peaks (9.13, 1.50, 26.70 ppm; 6.05 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 30 + HG2 ARG 30 OK 100 100 - 100 - 4.9=100 Peak 3369 from cnoeabs.peaks (4.74, 1.50, 26.70 ppm; 4.65 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 30 + HG2 ARG 30 OK 100 100 - 100 - 3.9=100 Peak 3370 from cnoeabs.peaks (1.65, 1.50, 26.70 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 30 + HG2 ARG 30 OK 100 100 - 100 - 2.8=100 Peak 3371 from cnoeabs.peaks (1.51, 1.50, 26.70 ppm; diagonal): 1 out of 1 assignment used, quality = 0.70: HG2 ARG 30 + HG2 ARG 30 OK 70 70 - 100 Reference assignment not found: HB3 ARG 30 - HG2 ARG 30 Peak 3372 from cnoeabs.peaks (1.50, 1.50, 26.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 30 + HG2 ARG 30 OK 100 100 - 100 Peak 3373 from cnoeabs.peaks (1.45, 1.50, 26.70 ppm; 2.86 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 30 + HG2 ARG 30 OK 100 100 - 100 - 1.8=100 Peak 3374 from cnoeabs.peaks (3.33, 1.50, 26.70 ppm; 4.87 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 30 + HG2 ARG 30 OK 100 100 - 100 - 3.0=100 Peak 3375 from cnoeabs.peaks (2.93, 1.50, 26.70 ppm; 5.11 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 30 + HG2 ARG 30 OK 100 100 - 100 - 3.0=100 Peak 3376 from cnoeabs.peaks (9.13, 1.45, 26.70 ppm; 6.05 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 30 + HG3 ARG 30 OK 100 100 - 100 - 4.9=100 Peak 3377 from cnoeabs.peaks (4.74, 1.45, 26.70 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 30 + HG3 ARG 30 OK 100 100 - 100 - 3.9=100 Peak 3378 from cnoeabs.peaks (1.65, 1.45, 26.70 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 30 + HG3 ARG 30 OK 100 100 - 100 - 2.8=100 Peak 3379 from cnoeabs.peaks (1.51, 1.45, 26.70 ppm; 3.19 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 30 + HG3 ARG 30 OK 100 100 - 100 - 2.8=100 HG2 ARG 30 + HG3 ARG 30 OK 70 70 - 100 - 1.8=100 Peak 3380 from cnoeabs.peaks (1.50, 1.45, 26.70 ppm; 2.90 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 30 + HG3 ARG 30 OK 100 100 - 100 - 1.8=100 HB3 ARG 30 + HG3 ARG 30 OK 70 70 - 100 - 2.8=100 Peak 3381 from cnoeabs.peaks (1.45, 1.45, 26.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 30 + HG3 ARG 30 OK 100 100 - 100 Peak 3382 from cnoeabs.peaks (3.33, 1.45, 26.70 ppm; 4.86 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 30 + HG3 ARG 30 OK 100 100 - 100 - 3.0=100 Peak 3383 from cnoeabs.peaks (2.93, 1.45, 26.70 ppm; 4.75 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 30 + HG3 ARG 30 OK 100 100 - 100 - 3.0=100 Peak 3386 from cnoeabs.peaks (1.65, 3.33, 42.86 ppm; 4.44 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 30 + HD2 ARG 30 OK 100 100 - 100 - 3.6=100 Peak 3387 from cnoeabs.peaks (1.51, 3.33, 42.86 ppm; 4.10 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 30 + HD2 ARG 30 OK 100 100 - 100 - 3.6=100 HG2 ARG 30 + HD2 ARG 30 OK 70 70 - 100 - 3.0=100 Peak 3388 from cnoeabs.peaks (1.50, 3.33, 42.86 ppm; 3.94 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 30 + HD2 ARG 30 OK 100 100 - 100 - 3.0=100 HB3 ARG 30 + HD2 ARG 30 OK 70 70 - 100 - 3.6=100 Peak 3389 from cnoeabs.peaks (1.45, 3.33, 42.86 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 30 + HD2 ARG 30 OK 100 100 - 100 - 3.0=100 Peak 3390 from cnoeabs.peaks (3.33, 3.33, 42.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 30 + HD2 ARG 30 OK 100 100 - 100 Peak 3391 from cnoeabs.peaks (2.93, 3.33, 42.86 ppm; 3.24 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 30 + HD2 ARG 30 OK 100 100 - 100 - 1.8=100 Peak 3394 from cnoeabs.peaks (1.65, 2.93, 42.86 ppm; 4.68 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 30 + HD3 ARG 30 OK 100 100 - 100 - 3.6=100 Peak 3395 from cnoeabs.peaks (1.51, 2.93, 42.86 ppm; 4.19 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 30 + HD3 ARG 30 OK 100 100 - 100 - 3.6=100 HG2 ARG 30 + HD3 ARG 30 OK 70 70 - 100 - 3.0=100 Peak 3396 from cnoeabs.peaks (1.50, 2.93, 42.86 ppm; 4.05 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 30 + HD3 ARG 30 OK 100 100 - 100 - 3.0=100 HB3 ARG 30 + HD3 ARG 30 OK 70 70 - 100 - 3.6=100 Peak 3397 from cnoeabs.peaks (1.45, 2.93, 42.86 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 30 + HD3 ARG 30 OK 100 100 - 100 - 3.0=100 Peak 3398 from cnoeabs.peaks (3.33, 2.93, 42.86 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 30 + HD3 ARG 30 OK 100 100 - 100 - 1.8=100 Peak 3399 from cnoeabs.peaks (2.93, 2.93, 42.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 30 + HD3 ARG 30 OK 100 100 - 100 Peak 3400 from cnoeabs.peaks (8.38, 5.21, 53.37 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 31 + HA ASP 31 OK 100 100 - 100 - 3.0=100 Peak 3401 from cnoeabs.peaks (5.21, 5.21, 53.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 31 + HA ASP 31 OK 100 100 - 100 Peak 3402 from cnoeabs.peaks (2.47, 5.21, 53.37 ppm; 3.56 A): 2 out of 2 assignments used, quality = 1.00: * HB2 ASP 31 + HA ASP 31 OK 100 100 - 100 - 3.0=100 HB3 ASP 31 + HA ASP 31 OK 100 100 - 100 - 3.0=100 Peak 3403 from cnoeabs.peaks (2.47, 5.21, 53.37 ppm; 3.56 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ASP 31 + HA ASP 31 OK 100 100 - 100 - 3.0=100 HB2 ASP 31 + HA ASP 31 OK 100 100 - 100 - 3.0=100 Peak 3404 from cnoeabs.peaks (8.38, 2.47, 42.72 ppm; 3.79 A): 2 out of 10 assignments used, quality = 0.98: * H ASP 31 + HB2 ASP 31 OK 87 100 - 87 - 4.1=81, 1202/1.8=22, 4.6/181=9 H ASP 31 + HB3 ASP 31 OK 87 100 - 87 - 4.1=81, 1202/1.8=22, 4.6/181=9 H ASN 11 - HB2 ASP 31 lone 2 90 - 2 - H ASN 11 - HB3 ASP 31 lone 2 89 - 2 - H PHE 79 - HB2 ASP 31 lone 1 100 - 1 - H PHE 79 - HB3 ASP 31 lone 1 100 - 1 - H ASP 36 - HB2 ASP 31 lone 0 90 - 1 - H ASP 36 - HB3 ASP 31 lone 0 89 - 1 - H MET 67 - HB2 ASP 31 lone 0 70 - 1 - H MET 67 - HB3 ASP 31 lone 0 69 - 1 - Peak 3405 from cnoeabs.peaks (5.21, 2.47, 42.72 ppm; 3.69 A): 2 out of 2 assignments used, quality = 1.00: * HA ASP 31 + HB2 ASP 31 OK 100 100 - 100 - 3.0=100 HA ASP 31 + HB3 ASP 31 OK 100 100 - 100 - 3.0=100 Peak 3406 from cnoeabs.peaks (2.47, 2.47, 42.72 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 ASP 31 + HB2 ASP 31 OK 100 100 - 100 HB3 ASP 31 + HB3 ASP 31 OK 100 100 - 100 Peak 3407 from cnoeabs.peaks (2.47, 2.47, 42.72 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 ASP 31 + HB2 ASP 31 OK 100 100 - 100 HB3 ASP 31 + HB3 ASP 31 OK 100 100 - 100 Reference assignment not found: HB3 ASP 31 - HB2 ASP 31 Peak 3408 from cnoeabs.peaks (8.38, 2.47, 42.72 ppm; 3.79 A): 2 out of 10 assignments used, quality = 0.98: * H ASP 31 + HB3 ASP 31 OK 87 100 - 87 - 4.1=81, 1202/1.8=22, 4.6/181=9 H ASP 31 + HB2 ASP 31 OK 87 100 - 87 - 4.1=81, 1202/1.8=22, 4.6/181=9 H ASN 11 - HB3 ASP 31 lone 2 90 - 2 - H ASN 11 - HB2 ASP 31 lone 2 89 - 2 - H PHE 79 - HB2 ASP 31 lone 1 100 - 1 - H PHE 79 - HB3 ASP 31 lone 1 100 - 1 - H ASP 36 - HB2 ASP 31 lone 0 89 - 1 - H ASP 36 - HB3 ASP 31 lone 0 90 - 1 - H MET 67 - HB3 ASP 31 lone 0 70 - 1 - H MET 67 - HB2 ASP 31 lone 0 69 - 1 - Peak 3409 from cnoeabs.peaks (5.21, 2.47, 42.72 ppm; 3.69 A): 2 out of 2 assignments used, quality = 1.00: * HA ASP 31 + HB3 ASP 31 OK 100 100 - 100 - 3.0=100 HA ASP 31 + HB2 ASP 31 OK 100 100 - 100 - 3.0=100 Peak 3410 from cnoeabs.peaks (2.47, 2.47, 42.72 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 ASP 31 + HB3 ASP 31 OK 100 100 - 100 HB2 ASP 31 + HB2 ASP 31 OK 100 100 - 100 Reference assignment not found: HB2 ASP 31 - HB3 ASP 31 Peak 3411 from cnoeabs.peaks (2.47, 2.47, 42.72 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASP 31 + HB3 ASP 31 OK 100 100 - 100 HB2 ASP 31 + HB2 ASP 31 OK 100 100 - 100 Peak 3412 from cnoeabs.peaks (8.44, 4.25, 61.56 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 32 + HA VAL 32 OK 100 100 - 100 - 3.0=100 Peak 3413 from cnoeabs.peaks (4.25, 4.25, 61.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 32 + HA VAL 32 OK 100 100 - 100 Peak 3414 from cnoeabs.peaks (1.78, 4.25, 61.56 ppm; 4.39 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 32 + HA VAL 32 OK 100 100 - 100 - 3.0=100 Peak 3415 from cnoeabs.peaks (0.87, 4.25, 61.56 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 32 + HA VAL 32 OK 100 100 - 100 - 3.2=100 Peak 3416 from cnoeabs.peaks (0.76, 4.25, 61.56 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 32 + HA VAL 32 OK 100 100 - 100 - 3.2=100 Peak 3417 from cnoeabs.peaks (8.44, 1.78, 33.88 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 32 + HB VAL 32 OK 100 100 - 100 - 3.9=100 Peak 3418 from cnoeabs.peaks (4.25, 1.78, 33.88 ppm; 4.39 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 32 + HB VAL 32 OK 100 100 - 100 - 3.0=100 Peak 3419 from cnoeabs.peaks (1.78, 1.78, 33.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 32 + HB VAL 32 OK 100 100 - 100 Peak 3420 from cnoeabs.peaks (0.87, 1.78, 33.88 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 32 + HB VAL 32 OK 100 100 - 100 - 2.1=100 Peak 3421 from cnoeabs.peaks (0.76, 1.78, 33.88 ppm; 3.22 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 32 + HB VAL 32 OK 100 100 - 100 - 2.1=100 Peak 3422 from cnoeabs.peaks (8.44, 0.87, 21.73 ppm; 4.52 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 32 + QG1 VAL 32 OK 100 100 - 100 - 4.0=100 Peak 3423 from cnoeabs.peaks (4.25, 0.87, 21.73 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 32 + QG1 VAL 32 OK 100 100 - 100 - 3.2=100 Peak 3424 from cnoeabs.peaks (1.78, 0.87, 21.73 ppm; 3.04 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 32 + QG1 VAL 32 OK 100 100 - 100 - 2.1=100 Peak 3425 from cnoeabs.peaks (0.87, 0.87, 21.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 32 + QG1 VAL 32 OK 100 100 - 100 Peak 3426 from cnoeabs.peaks (0.76, 0.87, 21.73 ppm; 2.55 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 32 + QG1 VAL 32 OK 100 100 - 100 - 2.1=100 Peak 3427 from cnoeabs.peaks (8.44, 0.76, 21.14 ppm; 3.95 A): 1 out of 5 assignments used, quality = 0.99: * H VAL 32 + QG2 VAL 32 OK 99 100 - 99 - 4.0=99 H GLN 83 - QG2 VAL 32 OK 12 99 - 12 - 4.5/9283=3, 4.0/10009=1...(6) H ASN 10 - QG2 VAL 32 lone 7 100 - 6 - 9129=2, ~11485=1 H GLN 62 - QG2 VAL 32 lone 2 97 - 2 - H ILE 3 - QG2 VAL 32 lone 1 100 - 1 - Peak 3428 from cnoeabs.peaks (4.25, 0.76, 21.14 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 32 + QG2 VAL 32 OK 100 100 - 100 - 3.2=100 Peak 3429 from cnoeabs.peaks (1.78, 0.76, 21.14 ppm; 3.20 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 32 + QG2 VAL 32 OK 100 100 - 100 - 2.1=100 Peak 3430 from cnoeabs.peaks (0.87, 0.76, 21.14 ppm; 2.57 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 32 + QG2 VAL 32 OK 100 100 - 100 - 2.1=100 Peak 3431 from cnoeabs.peaks (0.76, 0.76, 21.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 32 + QG2 VAL 32 OK 100 100 - 100 Peak 3432 from cnoeabs.peaks (9.55, 4.98, 53.40 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 33 + HA ASN 33 OK 100 100 - 100 - 2.9=100 Peak 3433 from cnoeabs.peaks (4.98, 4.98, 53.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 33 + HA ASN 33 OK 100 100 - 100 Peak 3434 from cnoeabs.peaks (2.91, 4.98, 53.40 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 33 + HA ASN 33 OK 100 100 - 100 - 3.0=100 Peak 3435 from cnoeabs.peaks (2.69, 4.98, 53.40 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 33 + HA ASN 33 OK 100 100 - 100 - 3.0=100 Peak 3438 from cnoeabs.peaks (9.55, 2.91, 40.87 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 33 + HB2 ASN 33 OK 100 100 - 100 - 4.0=100 Peak 3439 from cnoeabs.peaks (4.98, 2.91, 40.87 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 33 + HB2 ASN 33 OK 100 100 - 100 - 3.0=100 Peak 3440 from cnoeabs.peaks (2.91, 2.91, 40.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 33 + HB2 ASN 33 OK 100 100 - 100 Peak 3441 from cnoeabs.peaks (2.69, 2.91, 40.87 ppm; 2.87 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 33 + HB2 ASN 33 OK 100 100 - 100 - 1.8=100 Peak 3442 from cnoeabs.peaks (7.94, 2.91, 40.87 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 33 + HB2 ASN 33 OK 100 100 - 100 - 3.5=100 Peak 3443 from cnoeabs.peaks (7.02, 2.91, 40.87 ppm; 4.76 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 33 + HB2 ASN 33 OK 100 100 - 100 - 3.5=100 Peak 3444 from cnoeabs.peaks (9.55, 2.69, 40.87 ppm; 3.91 A): 1 out of 1 assignment used, quality = 0.98: * H ASN 33 + HB3 ASN 33 OK 98 100 - 98 - 4.0=94, 1210/1.8=28...(5) Peak 3445 from cnoeabs.peaks (4.98, 2.69, 40.87 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 33 + HB3 ASN 33 OK 100 100 - 100 - 3.0=100 Peak 3446 from cnoeabs.peaks (2.91, 2.69, 40.87 ppm; 2.81 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 33 + HB3 ASN 33 OK 100 100 - 100 - 1.8=100 Peak 3447 from cnoeabs.peaks (2.69, 2.69, 40.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 33 + HB3 ASN 33 OK 100 100 - 100 Peak 3448 from cnoeabs.peaks (7.94, 2.69, 40.87 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 33 + HB3 ASN 33 OK 100 100 - 100 - 3.5=100 Peak 3449 from cnoeabs.peaks (7.02, 2.69, 40.87 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 33 + HB3 ASN 33 OK 100 100 - 100 - 3.5=100 Peak 3450 from cnoeabs.peaks (7.62, 4.70, 53.48 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 34 + HA ASP 34 OK 100 100 - 100 - 3.0=100 Peak 3451 from cnoeabs.peaks (4.70, 4.70, 53.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 34 + HA ASP 34 OK 100 100 - 100 Peak 3452 from cnoeabs.peaks (2.91, 4.70, 53.48 ppm; 3.35 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 34 + HA ASP 34 OK 100 100 - 100 - 3.0=100 Peak 3453 from cnoeabs.peaks (3.09, 4.70, 53.48 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 34 + HA ASP 34 OK 100 100 - 100 - 3.0=100 Peak 3454 from cnoeabs.peaks (7.62, 2.91, 42.40 ppm; 5.16 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 34 + HB2 ASP 34 OK 100 100 - 100 - 4.0=100 Peak 3455 from cnoeabs.peaks (4.70, 2.91, 42.40 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 34 + HB2 ASP 34 OK 100 100 - 100 - 3.0=100 Peak 3456 from cnoeabs.peaks (2.91, 2.91, 42.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 34 + HB2 ASP 34 OK 100 100 - 100 Peak 3457 from cnoeabs.peaks (3.09, 2.91, 42.40 ppm; 3.00 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 34 + HB2 ASP 34 OK 100 100 - 100 - 1.8=100 Peak 3458 from cnoeabs.peaks (7.62, 3.09, 42.40 ppm; 5.89 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 34 + HB3 ASP 34 OK 100 100 - 100 - 4.0=100 Peak 3459 from cnoeabs.peaks (4.70, 3.09, 42.40 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 34 + HB3 ASP 34 OK 100 100 - 100 - 3.0=100 Peak 3460 from cnoeabs.peaks (2.91, 3.09, 42.40 ppm; 3.02 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 34 + HB3 ASP 34 OK 100 100 - 100 - 1.8=100 Peak 3461 from cnoeabs.peaks (3.09, 3.09, 42.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 34 + HB3 ASP 34 OK 100 100 - 100 Peak 3462 from cnoeabs.peaks (8.87, 4.05, 61.45 ppm; 4.51 A): 1 out of 1 assignment used, quality = 1.00: * H SER 35 + HA SER 35 OK 100 100 - 100 - 2.9=100 Peak 3463 from cnoeabs.peaks (4.05, 4.05, 61.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 35 + HA SER 35 OK 100 100 - 100 Peak 3464 from cnoeabs.peaks (3.92, 4.05, 61.45 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 35 + HA SER 35 OK 100 100 - 100 - 3.0=100 Peak 3465 from cnoeabs.peaks (3.95, 4.05, 61.45 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 35 + HA SER 35 OK 100 100 - 100 - 3.0=100 Peak 3466 from cnoeabs.peaks (8.87, 3.92, 62.76 ppm; 3.99 A): 1 out of 2 assignments used, quality = 0.99: * H SER 35 + HB2 SER 35 OK 99 100 - 99 - 4.0=98, 1221/1.8=41...(4) H LEU 82 - HB2 SER 35 lone 3 99 - 3 - Peak 3467 from cnoeabs.peaks (4.05, 3.92, 62.76 ppm; 3.29 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 35 + HB2 SER 35 OK 100 100 - 100 - 3.0=100 Peak 3468 from cnoeabs.peaks (3.92, 3.92, 62.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 35 + HB2 SER 35 OK 100 100 - 100 Peak 3469 from cnoeabs.peaks (3.95, 3.92, 62.76 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 35 + HB2 SER 35 OK 100 100 - 100 - 1.8=100 Peak 3470 from cnoeabs.peaks (8.87, 3.95, 62.76 ppm; 3.99 A): 1 out of 4 assignments used, quality = 1.00: * H SER 35 + HB3 SER 35 OK 100 100 - 100 - 4.0=99, 3466/1.8=37...(4) H SER 35 - HA ILE 97 lone 4 59 - 7 - 1221=2, ~8033=2, 4.6/200=2 H LEU 82 - HB3 SER 35 lone 2 99 - 2 - 3466/1.8=1 H LEU 82 - HA ILE 97 lone 1 56 - 1 - Peak 3471 from cnoeabs.peaks (4.05, 3.95, 62.76 ppm; 2.91 A): 1 out of 22 assignments used, quality = 0.93: * HA SER 35 + HB3 SER 35 OK 93 100 - 93 - 3.0=89, 2.9/1221=18...(5) HA LYS 96 - HA ILE 97 poor 6 29 - 19 - 7795/3.0=5, ~1939=3...(8) HA GLU 69 - HB3 SER 35 lone 4 94 - 4 - 3.6/2112=2, 2.9/2105=1 HA GLU 37 - HB3 SER 35 lone 4 84 - 4 - ~8027=4 HA SER 35 - HA ILE 97 lone 2 59 - 4 - 8033/3.0=2, 3.6/200=1 HA GLU 69 - HA ILE 97 lone 2 51 - 4 - 3.6/2112=2, 2.9/2105=1 HA GLU 37 - HA ILE 97 lone 1 43 - 2 - ~2028=1 HA2 GLY 125 - HB3 SER 35 lone 0 98 - 0 - HA GLU 92 - HB3 SER 35 lone 0 81 - 0 - HA LYS 44 - HA ILE 97 lone 0 38 - 1 - HA GLU 87 - HB3 SER 35 lone 0 90 - 0 - HA2 GLY 125 - HA ILE 97 lone 0 55 - 0 - HA3 GLY 125 - HB3 SER 35 lone 0 70 - 0 - HA GLU 92 - HA ILE 97 lone 0 41 - 1 - HA LYS 44 - HB3 SER 35 lone 0 77 - 0 - HA GLU 119 - HB3 SER 35 lone 0 61 - 0 - HB3 SER 126 - HB3 SER 35 lone 0 73 - 0 - HA LYS 96 - HB3 SER 35 lone 0 61 - 0 - HA3 GLY 125 - HA ILE 97 lone 0 34 - 0 - HA GLU 119 - HA ILE 97 lone 0 29 - 0 - HA GLU 87 - HA ILE 97 lone 0 47 - 0 - HB3 SER 126 - HA ILE 97 lone 0 36 - 0 - Peak 3472 from cnoeabs.peaks (3.92, 3.95, 62.76 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 35 + HB3 SER 35 OK 100 100 - 100 - 1.8=100 Peak 3473 from cnoeabs.peaks (3.95, 3.95, 62.76 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 35 + HB3 SER 35 OK 100 100 - 100 HA ILE 97 + HA ILE 97 OK 47 47 - 100 Peak 3474 from cnoeabs.peaks (8.39, 4.52, 57.67 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 36 + HA ASP 36 OK 100 100 - 100 - 3.0=100 Peak 3475 from cnoeabs.peaks (4.52, 4.52, 57.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 36 + HA ASP 36 OK 100 100 - 100 Peak 3476 from cnoeabs.peaks (2.84, 4.52, 57.67 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 36 + HA ASP 36 OK 100 100 - 100 - 3.0=100 Peak 3477 from cnoeabs.peaks (2.66, 4.52, 57.67 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 36 + HA ASP 36 OK 100 100 - 100 - 3.0=100 Peak 3478 from cnoeabs.peaks (8.39, 2.84, 40.28 ppm; 3.45 A): 1 out of 5 assignments used, quality = 0.81: * H ASP 36 + HB2 ASP 36 OK 81 100 - 81 - 4.0=64, 1225/1.8=32...(4) H PHE 79 - HB2 ASP 36 lone 6 81 - 8 - 4.1/9861=5, 3482/1.8=2 H MET 67 - HB2 ASP 36 lone 3 98 - 4 - 201/4.3=2, 3482/1.8=1 H ASP 31 - HB2 ASP 36 lone 1 90 - 1 - H LYS 123 - HB2 ASP 36 lone 1 87 - 1 - Peak 3479 from cnoeabs.peaks (4.52, 2.84, 40.28 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 36 + HB2 ASP 36 OK 100 100 - 100 - 3.0=100 Peak 3480 from cnoeabs.peaks (2.84, 2.84, 40.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 36 + HB2 ASP 36 OK 100 100 - 100 Peak 3481 from cnoeabs.peaks (2.66, 2.84, 40.28 ppm; 2.55 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 36 + HB2 ASP 36 OK 100 100 - 100 - 1.8=100 Peak 3482 from cnoeabs.peaks (8.39, 2.66, 40.28 ppm; 3.60 A): 1 out of 5 assignments used, quality = 0.87: * H ASP 36 + HB3 ASP 36 OK 87 100 - 87 - 4.0=72, 1224/1.8=40, 1881/4.3=21 H PHE 79 - HB3 ASP 36 lone 6 81 - 8 - 4.1/9860=4, 3478/1.8=3 H MET 67 - HB3 ASP 36 lone 4 98 - 4 - 201/4.3=2, 3478/1.8=1 H ASP 31 - HB3 ASP 36 lone 1 90 - 1 - H LYS 123 - HB3 ASP 36 lone 1 87 - 1 - Peak 3483 from cnoeabs.peaks (4.52, 2.66, 40.28 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 36 + HB3 ASP 36 OK 100 100 - 100 - 3.0=100 Peak 3484 from cnoeabs.peaks (2.84, 2.66, 40.28 ppm; 2.53 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 36 + HB3 ASP 36 OK 100 100 - 100 - 1.8=100 Peak 3485 from cnoeabs.peaks (2.66, 2.66, 40.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 36 + HB3 ASP 36 OK 100 100 - 100 Peak 3486 from cnoeabs.peaks (9.01, 4.06, 59.21 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 37 + HA GLU 37 OK 100 100 - 100 - 2.9=100 Peak 3487 from cnoeabs.peaks (4.06, 4.06, 59.21 ppm; diagonal): 4 out of 5 assignments used, quality = 1.00: * HA GLU 37 + HA GLU 37 OK 100 100 - 100 HA GLU 69 + HA GLU 69 OK 74 74 - 100 HA LYS 44 + HA LYS 44 OK 59 59 - 100 HA LYS 96 + HA LYS 96 OK 54 54 - 100 HA GLU 91 - HA GLU 91 OK 41 41 - 100 Peak 3488 from cnoeabs.peaks (2.27, 4.06, 59.21 ppm; 3.10 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 37 + HA GLU 37 OK 100 100 - 100 - 3.0=100 Peak 3489 from cnoeabs.peaks (2.17, 4.06, 59.21 ppm; 3.02 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 37 + HA GLU 37 OK 100 100 - 100 - 3.0=100 Peak 3490 from cnoeabs.peaks (2.44, 4.06, 59.21 ppm; 3.33 A): 2 out of 35 assignments used, quality = 0.96: * HG2 GLU 37 + HA GLU 37 OK 90 100 - 90 - 3.9=61, 3506/3.0=23...(11) HG3 GLU 69 + HA GLU 69 OK 66 73 - 90 - 4.0=58, 5024/2.9=24...(19) HG3 GLU 98 - HA GLU 37 OK 18 99 - 18 - 3505=5, 3504/2.9=4...(7) HG3 GLU 69 - HA GLU 37 OK 13 99 - 14 - 5022=5, 1230/2.9=2...(5) HG2 GLU 37 - HA GLU 69 lone 7 76 - 10 - 3505=3, 1.8/3511=2, 1457/2.9=2 HG2 GLN 100 - HA GLU 69 lone 7 76 - 9 - 1457/2.9=3, ~6277=1, 433/3.6=1 HG3 GLU 98 - HA LYS 96 poor 7 55 - 12 - 4.9/2178=7, 3505=3, 9391/3.6=2 HG3 GLU 41 - HA GLU 37 lone 3 70 - 5 - 4.9/8047=2, 209/3.6=1 HG3 GLU 98 - HA GLU 91 lone 3 57 - 5 - 4.9/2178=2, 3505=1 HG3 GLU 98 - HA GLU 69 lone 3 73 - 4 - 3505=1 HG3 GLU 41 - HA LYS 44 lone 2 34 - 6 - 4.9/2046=4, 3.0/8045=1 HG2 GLN 100 - HA GLU 37 lone 2 100 - 2 - HG2 GLN 100 - HA LYS 96 lone 2 57 - 3 - 4.9/11178=2, 9391/3.6=1 HG3 GLU 41 - HA LYS 96 lone 2 33 - 5 - 4.9/2046=4 HG3 GLU 69 - HA LYS 44 lone 2 56 - 3 - 5022=1 HG2 MET 1 - HA LYS 96 lone 1 42 - 3 - ~10723=3 HG3 GLU 69 - HA GLU 91 lone 1 57 - 2 - HG3 GLU 119 - HA GLU 91 lone 1 34 - 4 - HG2 MET 1 - HA GLU 37 lone 1 84 - 1 - HG2 GLU 37 - HA LYS 96 lone 1 57 - 2 - HG3 GLU 69 - HA LYS 96 lone 1 55 - 2 - HG2 GLU 37 - HA GLU 91 lone 1 60 - 1 - HG3 GLU 98 - HA LYS 44 lone 1 56 - 1 - HG2 GLU 37 - HA LYS 44 lone 1 59 - 1 - HG2 MET 1 - HA GLU 69 lone 1 57 - 1 - HG3 GLU 41 - HA GLU 69 lone 0 45 - 1 - HG3 GLU 119 - HA GLU 37 lone 0 70 - 1 - HG2 GLN 100 - HA LYS 44 lone 0 59 - 1 - HG3 GLU 119 - HA GLU 69 lone 0 45 - 1 - HG2 GLN 100 - HA GLU 91 lone 0 60 - 0 - HG3 GLU 41 - HA GLU 91 lone 0 34 - 1 - HG2 MET 1 - HA LYS 44 lone 0 43 - 0 - HG3 GLU 119 - HA LYS 44 lone 0 34 - 0 - HG2 MET 1 - HA GLU 91 lone 0 44 - 0 - HG3 GLU 119 - HA LYS 96 lone 0 33 - 0 - Peak 3491 from cnoeabs.peaks (2.73, 4.06, 59.21 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 37 + HA GLU 37 OK 100 100 - 100 - 3.9=100 Peak 3492 from cnoeabs.peaks (9.01, 2.27, 29.72 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 37 + HB2 GLU 37 OK 100 100 - 100 - 3.8=100 Peak 3493 from cnoeabs.peaks (4.06, 2.27, 29.72 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 37 + HB2 GLU 37 OK 100 100 - 100 - 3.0=100 Peak 3494 from cnoeabs.peaks (2.27, 2.27, 29.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 37 + HB2 GLU 37 OK 100 100 - 100 Peak 3495 from cnoeabs.peaks (2.17, 2.27, 29.72 ppm; 3.09 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 37 + HB2 GLU 37 OK 100 100 - 100 - 1.8=100 Peak 3496 from cnoeabs.peaks (2.44, 2.27, 29.72 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 37 + HB2 GLU 37 OK 100 100 - 100 - 3.0=100 Peak 3497 from cnoeabs.peaks (2.73, 2.27, 29.72 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 37 + HB2 GLU 37 OK 100 100 - 100 - 3.0=100 Peak 3498 from cnoeabs.peaks (9.01, 2.17, 29.72 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 37 + HB3 GLU 37 OK 100 100 - 100 - 3.8=100 Peak 3499 from cnoeabs.peaks (4.06, 2.17, 29.72 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 37 + HB3 GLU 37 OK 100 100 - 100 - 3.0=100 Peak 3500 from cnoeabs.peaks (2.27, 2.17, 29.72 ppm; 3.07 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 37 + HB3 GLU 37 OK 100 100 - 100 - 1.8=100 Peak 3501 from cnoeabs.peaks (2.17, 2.17, 29.72 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 37 + HB3 GLU 37 OK 100 100 - 100 HB2 GLU 98 + HB2 GLU 98 OK 56 56 - 100 Peak 3502 from cnoeabs.peaks (2.44, 2.17, 29.72 ppm; 3.65 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 37 + HB3 GLU 37 OK 100 100 - 100 - 3.0=100 HG3 GLU 98 + HB2 GLU 98 OK 55 55 - 100 - 3.0=100 Peak 3503 from cnoeabs.peaks (2.73, 2.17, 29.72 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 37 + HB3 GLU 37 OK 100 100 - 100 - 3.0=100 Peak 3504 from cnoeabs.peaks (9.01, 2.44, 36.55 ppm; 4.02 A): 2 out of 2 assignments used, quality = 0.94: * H GLU 37 + HG2 GLU 37 OK 92 100 - 92 - 4.9=55, 1231/1.8=43...(9) H GLU 37 + HG3 GLU 98 OK 22 92 - 24 - 1230=8, 2.9/3505=4...(7) Peak 3505 from cnoeabs.peaks (4.06, 2.44, 36.55 ppm; 3.36 A): 2 out of 16 assignments used, quality = 0.92: * HA GLU 37 + HG2 GLU 37 OK 91 100 - 91 - 3.9=63, 3.0/3506=24...(11) HA GLU 37 + HG3 GLU 98 OK 16 92 - 18 - 2.9/3504=4, 3490=4...(8) HA LYS 96 - HG3 GLU 98 poor 10 88 - 11 - 2178/4.9=7, 3.6/9391=2, 3490=1 HA SER 35 - HG2 GLU 37 poor 9 84 - 11 - 8027/4.9=5, 3511/1.8=3 HA GLU 69 - HG2 GLU 37 lone 9 99 - 9 - 5002=2, 3511/1.8=2, 2.9/1457=2 HA GLU 69 - HG3 GLU 98 lone 3 90 - 4 - HA GLU 91 - HG3 GLU 98 lone 3 69 - 4 - 2178/4.9=2 HA SER 35 - HG3 GLU 98 lone 2 72 - 3 - HA LYS 96 - HG2 GLU 37 lone 2 98 - 2 - HA LYS 44 - HG3 GLU 98 lone 1 91 - 1 - HA GLU 91 - HG2 GLU 37 lone 1 81 - 1 - HA LYS 44 - HG2 GLU 37 lone 1 100 - 1 - HA3 GLY 125 - HG2 GLU 37 lone 1 99 - 1 - HA2 GLY 125 - HG2 GLU 37 lone 1 97 - 1 - HA3 GLY 125 - HG3 GLU 98 lone 1 90 - 1 - HA2 GLY 125 - HG3 GLU 98 lone 0 86 - 1 - Peak 3506 from cnoeabs.peaks (2.27, 2.44, 36.55 ppm; 2.85 A): 1 out of 18 assignments used, quality = 0.92: * HB2 GLU 37 + HG2 GLU 37 OK 92 100 - 92 - 3.0=86, 1.8/3507=14...(11) HB2 GLU 37 - HG3 GLU 98 poor 10 92 - 11 - 3.8/3504=2, 3.0/3505=2...(4) HG2 GLU 69 - HG2 GLU 37 lone 5 99 - 5 - HG2 GLU 89 - HG3 GLU 98 lone 2 88 - 2 - HG3 GLU 111 - HG2 GLU 37 lone 2 100 - 2 - HG2 GLU 69 - HG3 GLU 98 lone 1 90 - 1 - HG2 GLU 89 - HG2 GLU 37 lone 1 98 - 1 - HG3 GLU 92 - HG3 GLU 98 lone 1 90 - 1 - HG3 GLU 92 - HG2 GLU 37 lone 1 99 - 1 - HG2 GLU 111 - HG2 GLU 37 lone 1 65 - 1 - HG3 GLU 91 - HG3 GLU 98 lone 1 55 - 1 - HB3 ASN 8 - HG2 GLU 37 lone 1 99 - 1 - HG3 GLU 111 - HG3 GLU 98 lone 1 92 - 1 - HG3 GLU 91 - HG2 GLU 37 lone 0 65 - 1 - HG2 GLU 103 - HG2 GLU 37 lone 0 84 - 0 - HB3 ASN 8 - HG3 GLU 98 lone 0 90 - 0 - HG2 GLU 103 - HG3 GLU 98 lone 0 72 - 0 - HG2 GLU 111 - HG3 GLU 98 lone 0 55 - 0 - Peak 3507 from cnoeabs.peaks (2.17, 2.44, 36.55 ppm; 2.86 A): 2 out of 16 assignments used, quality = 0.99: * HB3 GLU 37 + HG2 GLU 37 OK 94 100 - 94 - 3.0=88, 1.8/3506=26...(11) HB2 GLU 98 + HG3 GLU 98 OK 87 90 - 96 - 3.0=87, 6223/1.8=24...(14) HB3 GLU 37 - HG3 GLU 98 OK 12 92 - 13 - 1.8/3506=3, 3.8/3504=2...(4) HB2 GLN 85 - HG3 GLU 98 OK 10 91 - 11 - 6223/1.8=3, 1.8/6230=1...(4) HB2 GLU 98 - HG2 GLU 37 lone 7 99 - 7 - 2.9/6208=2, 4.0/1657=1 HG3 GLU 66 - HG3 GLU 98 lone 4 75 - 6 - 6223/1.8=1 HB3 GLU 13 - HG3 GLU 98 lone 4 65 - 5 - HG3 GLU 66 - HG2 GLU 37 lone 2 87 - 2 - HB2 GLN 85 - HG2 GLU 37 lone 1 100 - 1 - HB3 GLN 62 - HG3 GLU 98 lone 1 84 - 1 - HB2 GLN 62 - HG3 GLU 98 lone 1 84 - 1 - HB2 GLN 62 - HG2 GLU 37 lone 1 96 - 1 - HB3 GLN 62 - HG2 GLU 37 lone 1 96 - 1 - HB2 MET 42 - HG2 GLU 37 lone 1 73 - 1 - HB3 GLU 13 - HG2 GLU 37 lone 0 77 - 1 - HB2 MET 42 - HG3 GLU 98 lone 0 62 - 1 - Peak 3508 from cnoeabs.peaks (2.44, 2.44, 36.55 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 37 + HG2 GLU 37 OK 100 100 - 100 HG3 GLU 98 + HG3 GLU 98 OK 89 89 - 100 Peak 3509 from cnoeabs.peaks (2.73, 2.44, 36.55 ppm; 2.70 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 37 + HG2 GLU 37 OK 100 100 - 100 - 1.8=100 Peak 3510 from cnoeabs.peaks (9.01, 2.73, 36.55 ppm; 3.67 A): 1 out of 1 assignment used, quality = 0.88: * H GLU 37 + HG3 GLU 37 OK 88 100 - 88 - 1231=47, 3504/1.8=26...(12) Peak 3511 from cnoeabs.peaks (4.06, 2.73, 36.55 ppm; 3.82 A): 1 out of 8 assignments used, quality = 0.98: * HA GLU 37 + HG3 GLU 37 OK 98 100 - 98 - 3.9=92, 2.9/1231=31...(12) HA SER 35 - HG3 GLU 37 OK 12 84 - 15 - 8027/4.9=8, 8028/210=3 HA GLU 69 - HG3 GLU 37 lone 7 99 - 7 - 3505/1.8=3, ~1457=1 HA GLU 91 - HG3 GLU 37 lone 1 81 - 1 - HA LYS 96 - HG3 GLU 37 lone 1 98 - 1 - HA3 GLY 125 - HG3 GLU 37 lone 1 99 - 1 - HA LYS 44 - HG3 GLU 37 lone 1 100 - 1 - HA2 GLY 125 - HG3 GLU 37 lone 1 97 - 1 - Peak 3512 from cnoeabs.peaks (2.27, 2.73, 36.55 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 37 + HG3 GLU 37 OK 100 100 - 100 - 3.0=100 Peak 3513 from cnoeabs.peaks (2.17, 2.73, 36.55 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 37 + HG3 GLU 37 OK 100 100 - 100 - 3.0=100 Peak 3514 from cnoeabs.peaks (2.44, 2.73, 36.55 ppm; 2.72 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 37 + HG3 GLU 37 OK 100 100 - 100 - 1.8=100 Peak 3515 from cnoeabs.peaks (2.73, 2.73, 36.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 37 + HG3 GLU 37 OK 100 100 - 100 Peak 3516 from cnoeabs.peaks (8.20, 3.91, 59.13 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 38 + HA LEU 38 OK 100 100 - 100 - 3.0=100 Peak 3517 from cnoeabs.peaks (3.91, 3.91, 59.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 38 + HA LEU 38 OK 100 100 - 100 Peak 3518 from cnoeabs.peaks (2.11, 3.91, 59.13 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 38 + HA LEU 38 OK 100 100 - 100 - 2.9=100 Peak 3519 from cnoeabs.peaks (1.46, 3.91, 59.13 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 38 + HA LEU 38 OK 100 100 - 100 - 2.9=100 Peak 3520 from cnoeabs.peaks (1.52, 3.91, 59.13 ppm; 3.84 A): 1 out of 11 assignments used, quality = 0.95: * HG LEU 38 + HA LEU 38 OK 95 100 - 95 - 4.3=72, 2.1/3522=33...(9) HG LEU 6 - HA LEU 38 OK 23 100 - 23 - 1236/3.0=5, 2.1/10743=4...(10) HB2 LEU 6 - HA LEU 38 OK 15 84 - 18 - 3.1/10743=4, 1236/3.0=3...(8) HG2 LYS 20 - HA LEU 38 lone 3 77 - 3 - HG2 LYS 43 - HA LEU 38 lone 2 96 - 2 - QB ALA 124 - HA LEU 38 lone 2 70 - 3 - HD2 LYS 94 - HA LEU 38 lone 2 73 - 2 - HD3 LYS 94 - HA LEU 38 lone 2 73 - 2 - HB3 ARG 30 - HA LEU 38 lone 1 97 - 1 - HD3 LYS 17 - HA LEU 38 lone 1 99 - 1 - HB2 LYS 61 - HA LEU 38 lone 1 99 - 1 - Peak 3521 from cnoeabs.peaks (0.89, 3.91, 59.13 ppm; 3.43 A): 2 out of 7 assignments used, quality = 0.94: * QD2 LEU 38 + HA LEU 38 OK 93 100 - 93 - 3.8=74, 2.1/3522=27...(12) QD2 LEU 90 + HA LEU 38 OK 11 97 - 11 - 10976/3.0=4, ~11577=2...(5) QD1 LEU 90 - HA LEU 38 poor 9 81 - 12 - ~10976=3, 1237/3.0=3...(4) QG2 VAL 104 - HA LEU 38 lone 5 99 - 5 - 216/3.6=1, 1237/3.0=1 QG2 VAL 29 - HA LEU 38 lone 3 97 - 3 - 4.0/8054=1 QD2 LEU 70 - HA LEU 38 lone 2 81 - 3 - QD1 LEU 70 - HA LEU 38 lone 2 70 - 3 - Peak 3522 from cnoeabs.peaks (0.96, 3.91, 59.13 ppm; 3.54 A): 1 out of 5 assignments used, quality = 0.95: * QD1 LEU 38 + HA LEU 38 OK 95 100 - 95 - 3.8=82, 2.1/3521=26...(14) QD1 ILE 3 - HA LEU 38 lone 8 97 - 8 - 10656/2.9=3, 9014=2, 217/3.6=1 HG13 ILE 56 - HA LEU 38 lone 6 99 - 6 - 9723/9729=2 HD3 LYS 2 - HA LEU 38 lone 1 100 - 1 - HG13 ILE 116 - HA LEU 38 lone 1 96 - 1 - Peak 3523 from cnoeabs.peaks (8.20, 2.11, 41.07 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 38 + HB2 LEU 38 OK 100 100 - 100 - 3.8=100 Peak 3524 from cnoeabs.peaks (3.91, 2.11, 41.07 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 38 + HB2 LEU 38 OK 100 100 - 100 - 2.9=100 Peak 3525 from cnoeabs.peaks (2.11, 2.11, 41.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 38 + HB2 LEU 38 OK 100 100 - 100 Peak 3526 from cnoeabs.peaks (1.46, 2.11, 41.07 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 38 + HB2 LEU 38 OK 100 100 - 100 - 1.8=100 Peak 3527 from cnoeabs.peaks (1.52, 2.11, 41.07 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 38 + HB2 LEU 38 OK 100 100 - 100 - 3.0=100 Peak 3528 from cnoeabs.peaks (0.89, 2.11, 41.07 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 38 + HB2 LEU 38 OK 100 100 - 100 - 3.1=100 Peak 3529 from cnoeabs.peaks (0.96, 2.11, 41.07 ppm; 5.19 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 38 + HB2 LEU 38 OK 100 100 - 100 - 3.1=100 Peak 3530 from cnoeabs.peaks (8.20, 1.46, 41.07 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 38 + HB3 LEU 38 OK 100 100 - 100 - 3.8=100 Peak 3531 from cnoeabs.peaks (3.91, 1.46, 41.07 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 38 + HB3 LEU 38 OK 100 100 - 100 - 2.9=100 Peak 3532 from cnoeabs.peaks (2.11, 1.46, 41.07 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 38 + HB3 LEU 38 OK 100 100 - 100 - 1.8=100 Peak 3533 from cnoeabs.peaks (1.46, 1.46, 41.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 38 + HB3 LEU 38 OK 100 100 - 100 Peak 3534 from cnoeabs.peaks (1.52, 1.46, 41.07 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 38 + HB3 LEU 38 OK 100 100 - 100 - 3.0=100 Peak 3535 from cnoeabs.peaks (0.89, 1.46, 41.07 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 38 + HB3 LEU 38 OK 100 100 - 100 - 3.1=100 Peak 3536 from cnoeabs.peaks (0.96, 1.46, 41.07 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 38 + HB3 LEU 38 OK 100 100 - 100 - 3.1=100 Peak 3537 from cnoeabs.peaks (8.20, 1.52, 27.18 ppm; 4.99 A): 1 out of 4 assignments used, quality = 0.99: * H LEU 38 + HG LEU 38 OK 99 100 - 99 - 5.1=92, 1237/2.1=34...(10) H ASP 84 - HG LEU 38 OK 27 100 - 27 - 10020/2.1=8, 4.1/9379=8...(5) H GLU 111 - HG LEU 38 lone 4 92 - 4 - 4.4/10375=1 H GLU 89 - HG LEU 38 lone 2 65 - 3 - ~11527=1 Peak 3538 from cnoeabs.peaks (3.91, 1.52, 27.18 ppm; 4.08 A): 2 out of 5 assignments used, quality = 0.99: * HA LEU 38 + HG LEU 38 OK 98 100 - 98 - 4.3=87, 3522/2.1=36...(9) HB2 SER 35 + HG LEU 38 OK 54 96 - 56 - 10798/2.1=12...(10) HA LEU 64 - HG LEU 38 OK 15 99 - 15 - ~11001=7, 3552/2.1=5...(4) HA GLU 128 - HG LEU 38 lone 5 100 - 5 - 11025/2.1=2, ~11026=1 HA ARG 118 - HG LEU 38 lone 1 65 - 1 - Peak 3539 from cnoeabs.peaks (2.11, 1.52, 27.18 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 38 + HG LEU 38 OK 100 100 - 100 - 3.0=100 Peak 3540 from cnoeabs.peaks (1.46, 1.52, 27.18 ppm; 2.84 A): 2 out of 14 assignments used, quality = 0.93: * HB3 LEU 38 + HG LEU 38 OK 91 100 - 91 - 3.0=86, 2.9/3520=10...(8) HG2 LYS 39 + HG LEU 38 OK 18 99 - 19 - 3.8/9376=7, 11038/2.1=5...(5) HB3 LEU 6 - HG LEU 38 lone 5 100 - 6 - ~10987=1 HG12 ILE 57 - HG LEU 38 lone 2 100 - 2 - HG12 ILE 7 - HG LEU 38 lone 1 100 - 1 - HG2 LYS 106 - HG LEU 38 lone 1 100 - 1 - HG3 LYS 20 - HG LEU 38 lone 1 77 - 1 - HG3 ARG 30 - HG LEU 38 lone 1 94 - 1 - HG LEU 4 - HG LEU 38 lone 0 92 - 0 - HG3 LYS 73 - HG LEU 38 lone 0 70 - 1 - HG2 LYS 49 - HG LEU 38 lone 0 100 - 0 - HG3 LYS 49 - HG LEU 38 lone 0 100 - 0 - HB2 LEU 74 - HG LEU 38 lone 0 99 - 0 - HD2 LYS 53 - HG LEU 38 lone 0 61 - 0 - Peak 3541 from cnoeabs.peaks (1.52, 1.52, 27.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 38 + HG LEU 38 OK 100 100 - 100 Peak 3542 from cnoeabs.peaks (0.89, 1.52, 27.18 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 38 + HG LEU 38 OK 100 100 - 100 - 2.1=100 Peak 3543 from cnoeabs.peaks (0.96, 1.52, 27.18 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 38 + HG LEU 38 OK 100 100 - 100 - 2.1=100 Peak 3544 from cnoeabs.peaks (8.20, 0.89, 25.56 ppm; 4.42 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 38 + QD2 LEU 38 OK 100 100 - 100 - 4.4=100 Peak 3545 from cnoeabs.peaks (3.91, 0.89, 25.56 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 38 + QD2 LEU 38 OK 100 100 - 100 - 3.8=100 Peak 3546 from cnoeabs.peaks (2.11, 0.89, 25.56 ppm; 3.46 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 38 + QD2 LEU 38 OK 100 100 - 100 - 3.1=100 Peak 3547 from cnoeabs.peaks (1.46, 0.89, 25.56 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 38 + QD2 LEU 38 OK 100 100 - 100 - 3.1=100 Peak 3548 from cnoeabs.peaks (1.52, 0.89, 25.56 ppm; 3.15 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 38 + QD2 LEU 38 OK 100 100 - 100 - 2.1=100 Peak 3549 from cnoeabs.peaks (0.89, 0.89, 25.56 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 38 + QD2 LEU 38 OK 100 100 - 100 Peak 3550 from cnoeabs.peaks (0.96, 0.89, 25.56 ppm; 3.02 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 38 + QD2 LEU 38 OK 100 100 - 100 - 2.1=100 Peak 3551 from cnoeabs.peaks (8.20, 0.96, 25.76 ppm; 5.14 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 38 + QD1 LEU 38 OK 100 100 - 100 - 4.4=100 Peak 3552 from cnoeabs.peaks (3.91, 0.96, 25.76 ppm; 3.49 A): 2 out of 5 assignments used, quality = 0.97: * HA LEU 38 + QD1 LEU 38 OK 94 100 - 94 - 3.8=78, 3521/2.1=25...(14) HB2 SER 35 + QD1 LEU 38 OK 45 96 - 47 - 3538/2.1=8, 10798/2.1=8...(12) HA LEU 64 - QD1 LEU 38 OK 18 99 - 18 - ~11001=5, 11025=3...(6) HA GLU 128 - QD1 LEU 38 lone 6 100 - 6 - 11025=1 HA ARG 118 - QD1 LEU 38 lone 1 65 - 1 - Peak 3553 from cnoeabs.peaks (2.11, 0.96, 25.76 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 38 + QD1 LEU 38 OK 100 100 - 100 - 3.1=100 Peak 3554 from cnoeabs.peaks (1.46, 0.96, 25.76 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 38 + QD1 LEU 38 OK 100 100 - 100 - 3.1=100 Peak 3555 from cnoeabs.peaks (1.52, 0.96, 25.76 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 38 + QD1 LEU 38 OK 100 100 - 100 - 2.1=100 Peak 3556 from cnoeabs.peaks (0.89, 0.96, 25.76 ppm; 2.64 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 38 + QD1 LEU 38 OK 100 100 - 100 - 2.1=100 Peak 3557 from cnoeabs.peaks (0.96, 0.96, 25.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 38 + QD1 LEU 38 OK 100 100 - 100 Peak 3558 from cnoeabs.peaks (7.83, 3.84, 59.87 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + HA LYS 39 OK 100 100 - 100 - 3.0=100 Peak 3559 from cnoeabs.peaks (3.84, 3.84, 59.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HA LYS 39 OK 100 100 - 100 Peak 3560 from cnoeabs.peaks (1.93, 3.84, 59.87 ppm; 2.90 A): 2 out of 20 assignments used, quality = 0.99: * HB2 LYS 39 + HA LYS 39 OK 95 100 - 95 - 3.0=90, 2.9/3562=9...(19) HB3 LYS 39 + HA LYS 39 OK 77 81 - 95 - 3.0=90, 2.9/3562=9...(19) HB3 MET 42 - HA LYS 39 OK 25 73 - 34 - 1.8/8057=10, 3.9/8056=8...(8) HB3 LYS 40 - HA LYS 39 OK 17 90 - 19 - 3668/3.6=9, 4.6/8055=4 HB3 GLU 41 - HA LYS 39 OK 10 77 - 13 - 4.7/8056=7, 4.0/8055=4 HB2 GLU 41 - HA LYS 39 poor 10 73 - 13 - 4.7/8056=7, 4.0/8055=4 HB VAL 104 - HA LYS 39 lone 4 87 - 4 - 2.1/9390=2 HB2 LYS 123 - HA LYS 39 lone 3 100 - 3 - HB VAL 29 - HA LYS 39 lone 2 61 - 3 - 3.8/8056=1 HB3 LYS 65 - HA LYS 39 lone 1 100 - 1 - HB2 LYS 65 - HA LYS 39 lone 1 100 - 1 - HB3 LYS 115 - HA LYS 39 lone 1 100 - 1 - HB2 LYS 115 - HA LYS 39 lone 1 98 - 1 - HB3 LYS 17 - HA LYS 39 lone 1 87 - 1 - HB2 LEU 81 - HA LYS 39 lone 1 77 - 1 - HB2 LEU 70 - HA LYS 39 lone 1 96 - 1 - HB2 LEU 127 - HA LYS 39 lone 1 100 - 1 - HG2 MET 121 - HA LYS 39 lone 0 70 - 0 - HB ILE 15 - HA LYS 39 lone 0 61 - 0 - HB3 GLU 52 - HA LYS 39 lone 0 65 - 0 - Peak 3561 from cnoeabs.peaks (1.95, 3.84, 59.87 ppm; 3.03 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 39 + HA LYS 39 OK 100 100 - 100 - 3.0=100 HB2 LYS 39 + HA LYS 39 OK 81 81 - 100 - 3.0=100 Peak 3562 from cnoeabs.peaks (1.46, 3.84, 59.87 ppm; 3.54 A): 2 out of 15 assignments used, quality = 0.98: * HG2 LYS 39 + HA LYS 39 OK 95 100 - 95 - 3.8=79, 3588/3.0=13...(34) HB3 LEU 38 + HA LYS 39 OK 60 99 - 60 - 3.1/9380=19, 3.0/9376=13...(13) HG2 LYS 96 - HA LYS 39 OK 16 70 - 24 - ~7797=3, 222/3.6=3...(11) HG3 LYS 44 - HA LYS 39 poor 9 61 - 14 - 2.9/3619=2, 2.9/3619=2...(4) HG3 LYS 20 - HA LYS 39 lone 4 61 - 7 - 4.9/2004=2 HB3 LEU 6 - HA LYS 39 lone 4 100 - 4 - ~10959=1 HG LEU 80 - HA LYS 39 lone 2 73 - 3 - HG2 LYS 106 - HA LYS 39 lone 2 100 - 2 - HG12 ILE 7 - HA LYS 39 lone 2 100 - 2 - HG12 ILE 57 - HA LYS 39 lone 2 100 - 2 - HB2 LEU 74 - HA LYS 39 lone 1 94 - 1 - HG LEU 4 - HA LYS 39 lone 1 98 - 1 - HG2 LYS 49 - HA LYS 39 lone 1 100 - 1 - HG3 LYS 49 - HA LYS 39 lone 1 100 - 1 - HG3 ARG 30 - HA LYS 39 lone 1 99 - 1 - Peak 3563 from cnoeabs.peaks (1.70, 3.84, 59.87 ppm; 3.48 A): 3 out of 24 assignments used, quality = 1.00: * HG3 LYS 39 + HA LYS 39 OK 94 100 - 94 - 3.8=75, 1.8/3562=17...(33) HD3 LYS 39 + HA LYS 39 OK 80 98 - 81 - 5.3=28, 3.0/3562=13...(41) HD2 LYS 39 + HA LYS 39 OK 79 97 - 81 - 5.3=28, 3.0/3562=13...(41) HD3 LYS 44 - HA LYS 39 OK 20 99 - 20 - 3619=3, 1.8/3619=2...(5) HD2 LYS 44 - HA LYS 39 OK 20 100 - 20 - 3619=3, 1.8/3619=2...(5) HD3 LYS 96 - HA LYS 39 OK 17 73 - 23 - ~7797=3, 3.0/3562=2...(14) HD2 LYS 96 - HA LYS 39 OK 15 65 - 23 - ~7797=3, 3.0/3562=2...(14) HD3 LYS 43 - HA LYS 39 OK 11 77 - 15 - 5.9/8061=8 HD2 LYS 40 - HA LYS 39 OK 11 70 - 15 - 223/3.6=3, 3.6/3560=2...(4) HD3 LYS 40 - HA LYS 39 OK 10 65 - 15 - 1255/3.6=2, 3.6/3560=2...(4) HD3 LYS 16 - HA LYS 39 lone 8 92 - 8 - 2.9/2761=1, 223/3.6=1 HD2 LYS 16 - HA LYS 39 lone 7 84 - 9 - 2.9/2761=1, 223/3.6=1 HG3 LYS 123 - HA LYS 39 lone 7 100 - 7 - HD2 LYS 20 - HA LYS 39 lone 6 90 - 7 - 6.2/2004=2 HD3 LYS 20 - HA LYS 39 lone 6 87 - 7 - 6.2/2004=2 HD2 LYS 73 - HA LYS 39 lone 3 81 - 4 - HD3 LYS 73 - HA LYS 39 lone 3 77 - 4 - HB3 LYS 106 - HA LYS 39 lone 1 73 - 1 - HB ILE 56 - HA LYS 39 lone 1 92 - 1 - HB2 LYS 106 - HA LYS 39 lone 1 65 - 1 - HD2 LYS 17 - HA LYS 39 lone 1 65 - 1 - HG LEU 74 - HA LYS 39 lone 1 99 - 1 - HG12 ILE 71 - HA LYS 39 lone 1 99 - 1 - HB ILE 54 - HA LYS 39 lone 1 70 - 1 - Peak 3564 from cnoeabs.peaks (1.71, 3.84, 59.87 ppm; 3.48 A): 3 out of 15 assignments used, quality = 1.00: HG3 LYS 39 + HA LYS 39 OK 91 97 - 94 - 3.8=75, 1.8/3562=17...(33) * HD2 LYS 39 + HA LYS 39 OK 81 100 - 81 - 5.3=28, 3.0/3562=13...(41) HD3 LYS 39 + HA LYS 39 OK 81 100 - 81 - 5.3=28, 3.0/3562=13...(41) HD3 LYS 44 - HA LYS 39 OK 21 100 - 21 - 3619=3, 1.8/3619=2...(5) HD2 LYS 44 - HA LYS 39 OK 20 99 - 20 - 3619=3, 1.8/3619=2...(5) HG3 LYS 123 - HA LYS 39 lone 7 97 - 7 - HD3 LYS 16 - HA LYS 39 lone 5 70 - 8 - 2.9/2761=1, 223/3.6=1 HD2 LYS 20 - HA LYS 39 lone 5 65 - 7 - 6.2/2004=2 HD3 LYS 20 - HA LYS 39 lone 4 61 - 7 - 6.2/2004=2 HB3 LEU 90 - HA LYS 39 lone 2 70 - 3 - 3.1/9390=2 HB3 LYS 106 - HA LYS 39 lone 1 94 - 1 - HB2 LYS 106 - HA LYS 39 lone 1 90 - 1 - HG LEU 74 - HA LYS 39 lone 1 100 - 1 - HB ILE 56 - HA LYS 39 lone 1 70 - 1 - HG12 ILE 71 - HA LYS 39 lone 1 87 - 1 - Peak 3565 from cnoeabs.peaks (1.70, 3.84, 59.87 ppm; 3.48 A): 3 out of 16 assignments used, quality = 1.00: HG3 LYS 39 + HA LYS 39 OK 92 98 - 94 - 3.8=75, 1.8/3562=17...(33) HD2 LYS 39 + HA LYS 39 OK 81 100 - 81 - 5.3=28, 3.0/3562=13...(41) * HD3 LYS 39 + HA LYS 39 OK 81 100 - 81 - 5.3=28, 3.0/3562=13...(41) HD3 LYS 44 - HA LYS 39 OK 21 100 - 21 - 3619=3, 1.8/3619=2...(5) HD2 LYS 44 - HA LYS 39 OK 20 99 - 20 - 3619=3, 1.8/3619=2...(5) HG3 LYS 123 - HA LYS 39 lone 7 98 - 7 - HD3 LYS 16 - HA LYS 39 lone 6 73 - 8 - 2.9/2761=1, 223/3.6=1 HD2 LYS 16 - HA LYS 39 lone 5 61 - 8 - 2.9/2761=1, 223/3.6=1 HD2 LYS 20 - HA LYS 39 lone 5 70 - 7 - 6.2/2004=2 HD3 LYS 20 - HA LYS 39 lone 5 65 - 7 - 6.2/2004=2 HB3 LEU 90 - HA LYS 39 lone 2 65 - 3 - 3.1/9390=2 HB3 LYS 106 - HA LYS 39 lone 1 92 - 1 - HB2 LYS 106 - HA LYS 39 lone 1 87 - 1 - HG LEU 74 - HA LYS 39 lone 1 100 - 1 - HB ILE 56 - HA LYS 39 lone 1 73 - 1 - HG12 ILE 71 - HA LYS 39 lone 1 90 - 1 - Peak 3566 from cnoeabs.peaks (2.98, 3.84, 59.87 ppm; 6.20 A): 2 out of 14 assignments used, quality = 1.00: * HE2 LYS 39 + HA LYS 39 OK 99 100 - 99 - 6.6=83, 3.6/3562=23...(36) HE3 LYS 39 + HA LYS 39 OK 99 100 - 99 - 6.6=83, 3.6/3562=23...(36) HE2 LYS 43 - HA LYS 39 OK 40 100 - 40 - 7.0/8061=23, 1257/3.6=2...(9) HE3 LYS 43 - HA LYS 39 OK 40 99 - 40 - 7.0/8061=23, 1257/3.6=3...(10) HE2 LYS 40 - HA LYS 39 OK 30 90 - 34 - 1257/3.6=7, 5.0/3560=3...(16) HE3 LYS 40 - HA LYS 39 OK 29 84 - 34 - 1257/3.6=7, 5.0/3560=3...(16) HE2 LYS 73 - HA LYS 39 OK 14 100 - 14 - 1257/3.6=1 HE3 LYS 73 - HA LYS 39 OK 14 100 - 14 - 1257/3.6=1 HE2 LYS 20 - HA LYS 39 OK 13 77 - 17 - 7.0/2004=5, 1257/3.6=2 HE3 LYS 20 - HA LYS 39 OK 13 77 - 17 - 7.0/2004=5, 1257/3.6=2 HD3 ARG 118 - HA LYS 39 lone 2 96 - 2 - HB3 ASN 24 - HA LYS 39 lone 2 87 - 2 - HB2 ASN 24 - HA LYS 39 lone 2 87 - 2 - HB3 PHE 51 - HA LYS 39 lone 2 87 - 2 - Peak 3567 from cnoeabs.peaks (2.98, 3.84, 59.87 ppm; 6.20 A): 2 out of 14 assignments used, quality = 1.00: * HE3 LYS 39 + HA LYS 39 OK 99 100 - 99 - 6.6=83, 3.6/3562=23...(36) HE2 LYS 39 + HA LYS 39 OK 99 100 - 99 - 6.6=83, 3.6/3562=23...(36) HE2 LYS 43 - HA LYS 39 OK 40 100 - 40 - 7.0/8061=23, 1257/3.6=2...(9) HE3 LYS 43 - HA LYS 39 OK 39 98 - 40 - 7.0/8061=23, 1257/3.6=3...(10) HE2 LYS 40 - HA LYS 39 OK 28 84 - 34 - 1257/3.6=7, 5.0/3560=3...(16) HE3 LYS 40 - HA LYS 39 OK 26 77 - 34 - 1257/3.6=7, 5.0/3560=3...(16) HE2 LYS 73 - HA LYS 39 OK 14 100 - 14 - 1257/3.6=1 HE3 LYS 73 - HA LYS 39 OK 14 99 - 14 - 1257/3.6=1 HE2 LYS 20 - HA LYS 39 OK 12 70 - 17 - 7.0/2004=5, 1257/3.6=2 HE3 LYS 20 - HA LYS 39 OK 12 70 - 17 - 7.0/2004=5, 1257/3.6=2 HD3 ARG 118 - HA LYS 39 lone 2 92 - 2 - HB3 ASN 24 - HA LYS 39 lone 2 81 - 2 - HB2 ASN 24 - HA LYS 39 lone 2 81 - 2 - HB3 PHE 51 - HA LYS 39 lone 2 81 - 2 - Peak 3568 from cnoeabs.peaks (7.83, 1.93, 32.05 ppm; 3.03 A): 4 out of 35 assignments used, quality = 0.90: * H LYS 39 + HB2 LYS 39 OK 72 100 - 72 - 4.0=42, 3598/2.9=10...(16) H LYS 39 + HB3 LYS 39 OK 45 63 - 72 - 4.0=42, 3598/2.9=10...(14) H ILE 97 + HB2 LYS 39 OK 24 100 - 24 - 218/4.3=6, 3588/2.9=4...(7) H ILE 97 + HB3 LYS 39 OK 14 62 - 23 - 218/4.3=6, 3588/2.9=4...(8) H VAL 78 - HB2 LYS 39 lone 5 100 - 5 - 3588/2.9=1, 3598/2.9=1 H ILE 97 - HB3 LYS 115 lone 4 94 - 4 - 4.0/10115=2 H ILE 97 - HB2 LYS 115 lone 3 87 - 4 - 4.0/10115=2 H VAL 78 - HB3 LYS 39 lone 3 63 - 4 - 3588/2.9=1, 3598/2.9=1 H LYS 39 - HB2 LYS 123 lone 2 69 - 3 - H ILE 97 - HB2 LYS 123 lone 2 68 - 3 - H ILE 97 - HB2 LYS 65 lone 2 78 - 2 - H ILE 97 - HB3 LYS 65 lone 2 78 - 2 - H LYS 39 - HB3 LYS 115 lone 1 95 - 1 - H LYS 39 - HB2 LYS 65 lone 1 79 - 2 - H LYS 39 - HB3 LYS 65 lone 1 79 - 2 - HE21 GLN 62 - HB2 LYS 65 lone 1 44 - 3 - 5.7/8104=3 HE21 GLN 62 - HB3 LYS 65 lone 1 44 - 3 - 5.7/8104=3 H LYS 39 - HB2 LYS 115 lone 1 87 - 1 - H TYR 27 - HB2 LYS 39 lone 1 73 - 2 - HE21 GLN 62 - HB2 LYS 39 lone 1 65 - 2 - H VAL 78 - HB2 LYS 123 lone 1 69 - 1 - H VAL 78 - HB3 LYS 115 lone 1 94 - 1 - H TYR 27 - HB3 LYS 39 lone 1 39 - 1 - HE21 GLN 62 - HB3 LYS 39 lone 1 34 - 2 - H VAL 78 - HB2 LYS 115 lone 0 87 - 1 - H VAL 78 - HB2 LYS 65 lone 0 79 - 1 - H VAL 78 - HB3 LYS 65 lone 0 78 - 1 - H TYR 27 - HB3 LYS 115 lone 0 65 - 1 - H TYR 27 - HB2 LYS 115 lone 0 58 - 1 - HE21 GLN 62 - HB3 LYS 115 lone 0 57 - 1 - H TYR 27 - HB2 LYS 123 lone 0 43 - 1 - H TYR 27 - HB2 LYS 65 lone 0 51 - 1 - H TYR 27 - HB3 LYS 65 lone 0 50 - 1 - HE21 GLN 62 - HB2 LYS 115 lone 0 51 - 1 - HE21 GLN 62 - HB2 LYS 123 lone 0 38 - 0 - Peak 3569 from cnoeabs.peaks (3.84, 1.93, 32.05 ppm; 3.11 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 3.0=100 HA LYS 39 + HB3 LYS 39 OK 63 63 - 100 - 3.0=100 Peak 3570 from cnoeabs.peaks (1.93, 1.93, 32.05 ppm; diagonal): 6 out of 7 assignments used, quality = 1.00: * HB2 LYS 39 + HB2 LYS 39 OK 100 100 - 100 HB3 LYS 115 + HB3 LYS 115 OK 95 95 - 100 HB2 LYS 115 + HB2 LYS 115 OK 83 83 - 100 HB2 LYS 65 + HB2 LYS 65 OK 79 79 - 100 HB3 LYS 65 + HB3 LYS 65 OK 78 78 - 100 HB2 LYS 123 + HB2 LYS 123 OK 69 69 - 100 HB3 LYS 39 - HB3 LYS 39 OK 44 44 - 100 Peak 3571 from cnoeabs.peaks (1.95, 1.93, 32.05 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HB2 LYS 39 + HB2 LYS 39 OK 81 81 - 100 HB3 LYS 115 + HB3 LYS 115 OK 72 72 - 100 HB3 LYS 39 + HB3 LYS 39 OK 63 63 - 100 HB2 LYS 65 + HB2 LYS 65 OK 56 56 - 100 HB3 LYS 65 + HB3 LYS 65 OK 53 53 - 100 HB2 LYS 123 + HB2 LYS 123 OK 48 48 - 100 Reference assignment not found: HB3 LYS 39 - HB2 LYS 39 Peak 3572 from cnoeabs.peaks (1.46, 1.93, 32.05 ppm; 3.01 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 39 + HB2 LYS 39 OK 100 100 - 100 - 2.9=100 HG2 LYS 39 + HB3 LYS 39 OK 63 63 - 100 - 2.9=100 Peak 3573 from cnoeabs.peaks (1.70, 1.93, 32.05 ppm; 2.70 A): 5 out of 168 assignments used, quality = 1.00: * HG3 LYS 39 + HB2 LYS 39 OK 88 100 - 88 - 2.9=80, 3598/4.0=6...(21) HD3 LYS 39 + HB2 LYS 39 OK 73 98 - 75 - 3.5=45, 1.8/3610=6...(25) HD2 LYS 39 + HB2 LYS 39 OK 72 97 - 75 - 3.5=45, 1.8/3610=6...(25) HG3 LYS 123 + HB2 LYS 123 OK 63 69 - 92 - 2.9=77, 7114/3.8=12...(30) HG3 LYS 39 + HB3 LYS 39 OK 55 63 - 87 - 2.9=80, 3598/4.0=6...(20) HD3 LYS 39 - HB3 LYS 39 OK 43 59 - 74 - 3.5=45, 3620/1.8=6...(26) HD2 LYS 39 - HB3 LYS 39 OK 42 58 - 74 - 3.5=45, 3620/1.8=6...(26) HD3 LYS 44 - HB2 LYS 39 OK 12 99 - 12 - 3620=1, 3619/3.0=1 HD2 LYS 44 - HB2 LYS 39 OK 12 100 - 12 - 3620=1, 3619/3.0=1 HG3 LYS 123 - HB2 LYS 39 lone 10 100 - 10 - 2.9/7129=2, 2.9/7119=2 HG3 LYS 123 - HB2 LYS 65 poor 9 79 - 11 - 2.9/7129=2, 2.9/7119=2 HG3 LYS 123 - HB3 LYS 115 lone 9 95 - 9 - 2.9/7129=1, 2.9/7119=1 HG3 LYS 123 - HB3 LYS 65 poor 8 79 - 10 - 2.9/7129=2, 2.9/7119=2 HD2 LYS 44 - HB2 LYS 123 poor 8 68 - 11 - 3620=1 HD3 LYS 44 - HB2 LYS 123 poor 7 67 - 11 - 3620=1 HD2 LYS 40 - HB2 LYS 39 poor 7 70 - 10 - 6.2/7473=2 HD2 LYS 44 - HB3 LYS 39 poor 7 62 - 11 - 3619/3.0=1 HD3 LYS 44 - HB3 LYS 39 poor 7 61 - 12 - 3619/3.0=1 HD3 LYS 40 - HB2 LYS 39 poor 7 65 - 10 - 6.2/7473=2 HG3 LYS 123 - HB2 LYS 115 lone 7 87 - 8 - 2.9/7129=1, 2.9/7119=1 HG3 LYS 123 - HB3 LYS 39 lone 6 63 - 9 - 2.9/7129=1, 2.9/7119=1 HG3 LYS 39 - HB2 LYS 123 lone 5 69 - 7 - 7114/3.8=1, 7122/3.8=1 HD3 LYS 39 - HB2 LYS 123 lone 5 65 - 7 - HG12 ILE 71 - HB2 LYS 123 lone 5 66 - 7 - ~10612=2 HG12 ILE 71 - HB2 LYS 65 lone 4 76 - 6 - 11370/3.0=1 HG12 ILE 71 - HB3 LYS 65 lone 4 76 - 6 - 11370/3.0=1 HD2 LYS 39 - HB2 LYS 123 lone 4 63 - 7 - HD3 LYS 96 - HB2 LYS 39 lone 4 73 - 6 - HD3 LYS 16 - HB2 LYS 39 lone 4 92 - 4 - HD2 LYS 16 - HB2 LYS 39 lone 4 84 - 4 - HD2 LYS 96 - HB2 LYS 39 lone 4 65 - 5 - HD2 LYS 40 - HB3 LYS 39 lone 3 36 - 10 - 223/4.3=1 HD3 LYS 43 - HB2 LYS 39 lone 3 77 - 4 - HD3 LYS 40 - HB3 LYS 39 lone 3 34 - 10 - 1255/4.3=1 HD3 LYS 16 - HB3 LYS 115 lone 3 83 - 3 - HD3 LYS 16 - HB2 LYS 115 lone 3 75 - 3 - HD2 LYS 16 - HB3 LYS 115 lone 2 75 - 3 - HD3 LYS 16 - HB2 LYS 123 lone 2 58 - 4 - HD3 LYS 16 - HB3 LYS 39 lone 2 52 - 4 - HD3 LYS 96 - HB3 LYS 39 lone 2 39 - 6 - HD2 LYS 16 - HB2 LYS 115 lone 2 67 - 3 - HD2 LYS 16 - HB3 LYS 39 lone 2 46 - 4 - HD2 LYS 73 - HB2 LYS 39 lone 2 81 - 2 - HD2 LYS 16 - HB2 LYS 123 lone 2 51 - 4 - HD2 LYS 20 - HB2 LYS 39 lone 2 90 - 2 - HD3 LYS 73 - HB2 LYS 39 lone 2 77 - 2 - HD2 LYS 96 - HB3 LYS 39 lone 2 34 - 6 - HD3 LYS 16 - HB2 LYS 65 lone 2 67 - 3 - HD3 LYS 20 - HB2 LYS 39 lone 2 87 - 2 - HD3 LYS 16 - HB3 LYS 65 lone 2 67 - 3 - HD3 LYS 43 - HB3 LYS 39 lone 2 41 - 4 - HD2 LYS 17 - HB3 LYS 115 lone 2 57 - 3 - HD2 LYS 16 - HB2 LYS 65 lone 2 59 - 3 - HD2 LYS 16 - HB3 LYS 65 lone 2 59 - 3 - HG12 ILE 71 - HB3 LYS 115 lone 2 92 - 2 - HD3 LYS 96 - HB2 LYS 123 lone 2 43 - 4 - HD2 LYS 17 - HB2 LYS 115 lone 2 51 - 3 - HG12 ILE 71 - HB2 LYS 115 lone 1 84 - 2 - HD2 LYS 96 - HB2 LYS 123 lone 1 38 - 4 - HG3 LYS 39 - HB2 LYS 65 lone 1 79 - 1 - HG3 LYS 39 - HB3 LYS 65 lone 1 79 - 1 - HD2 LYS 17 - HB2 LYS 123 lone 1 38 - 3 - HD2 LYS 20 - HB3 LYS 39 lone 1 50 - 2 - HG12 ILE 71 - HB2 LYS 39 lone 1 99 - 1 - HG LEU 74 - HB2 LYS 123 lone 1 66 - 2 - HD3 LYS 20 - HB3 LYS 39 lone 1 48 - 2 - HD2 LYS 73 - HB3 LYS 39 lone 1 44 - 2 - HG3 LYS 39 - HB3 LYS 115 lone 1 95 - 1 - HD3 LYS 39 - HB3 LYS 115 lone 1 91 - 1 - HD3 LYS 39 - HB2 LYS 115 lone 1 83 - 1 - HD2 LYS 39 - HB3 LYS 115 lone 1 89 - 1 - HD3 LYS 73 - HB3 LYS 39 lone 1 41 - 2 - HD2 LYS 39 - HB2 LYS 115 lone 1 82 - 1 - HD3 LYS 39 - HB2 LYS 65 lone 1 74 - 1 - HD3 LYS 39 - HB3 LYS 65 lone 1 74 - 1 - HG3 LYS 39 - HB2 LYS 115 lone 1 87 - 1 - HD2 LYS 39 - HB2 LYS 65 lone 1 73 - 1 - HD2 LYS 39 - HB3 LYS 65 lone 1 73 - 1 - HB ILE 54 - HB2 LYS 65 lone 1 48 - 2 - HB ILE 54 - HB3 LYS 65 lone 1 47 - 2 - HG LEU 74 - HB3 LYS 115 lone 1 92 - 1 - HD2 LYS 20 - HB3 LYS 115 lone 1 81 - 1 - HD3 LYS 96 - HB3 LYS 115 lone 1 65 - 1 - HD2 LYS 44 - HB2 LYS 65 lone 1 78 - 1 - HD2 LYS 44 - HB3 LYS 65 lone 1 78 - 1 - HD3 LYS 44 - HB2 LYS 65 lone 1 77 - 1 - HD3 LYS 20 - HB3 LYS 115 lone 1 78 - 1 - HD3 LYS 44 - HB3 LYS 65 lone 1 77 - 1 - HD2 LYS 20 - HB2 LYS 115 lone 1 73 - 1 - HD2 LYS 44 - HB3 LYS 115 lone 1 94 - 1 - HD2 LYS 17 - HB2 LYS 65 lone 1 44 - 1 - HD2 LYS 17 - HB3 LYS 65 lone 1 44 - 1 - HD3 LYS 44 - HB3 LYS 115 lone 1 93 - 1 - HG LEU 74 - HB2 LYS 115 lone 1 84 - 1 - HD3 LYS 20 - HB2 LYS 115 lone 1 70 - 1 - HD2 LYS 96 - HB3 LYS 115 lone 1 57 - 1 - HD3 LYS 96 - HB2 LYS 115 lone 1 58 - 1 - HG LEU 74 - HB2 LYS 39 lone 1 99 - 1 - HD2 LYS 40 - HB2 LYS 123 lone 1 40 - 1 - HD2 LYS 44 - HB2 LYS 115 lone 1 87 - 1 - HG12 ILE 71 - HB3 LYS 39 lone 1 60 - 1 - HD3 LYS 44 - HB2 LYS 115 lone 1 86 - 1 - HD2 LYS 40 - HB3 LYS 115 lone 1 61 - 1 - HD2 LYS 20 - HB2 LYS 123 lone 1 56 - 1 - HD3 LYS 40 - HB2 LYS 123 lone 1 38 - 1 - HD2 LYS 40 - HB2 LYS 115 lone 1 54 - 1 - HD3 LYS 40 - HB3 LYS 115 lone 1 57 - 1 - HD2 LYS 96 - HB2 LYS 115 lone 1 51 - 1 - HD2 LYS 73 - HB3 LYS 115 lone 1 72 - 1 - HD2 LYS 17 - HB2 LYS 39 lone 1 65 - 1 - HD3 LYS 96 - HB2 LYS 65 lone 1 51 - 1 - HD3 LYS 20 - HB2 LYS 123 lone 1 53 - 1 - HD3 LYS 96 - HB3 LYS 65 lone 1 50 - 1 - HD3 LYS 43 - HB2 LYS 123 lone 1 46 - 1 - HD3 LYS 40 - HB2 LYS 115 lone 0 51 - 1 - HD2 LYS 73 - HB2 LYS 115 lone 0 64 - 1 - HD3 LYS 73 - HB3 LYS 115 lone 0 68 - 1 - HD3 LYS 73 - HB2 LYS 115 lone 0 61 - 1 - HB ILE 54 - HB2 LYS 39 lone 0 70 - 1 - HD2 LYS 96 - HB2 LYS 65 lone 0 44 - 1 - HD2 LYS 96 - HB3 LYS 65 lone 0 44 - 1 - HD2 LYS 73 - HB2 LYS 123 lone 0 48 - 1 - HD3 LYS 43 - HB3 LYS 115 lone 0 68 - 1 - HD2 LYS 20 - HB2 LYS 65 lone 0 65 - 1 - HD2 LYS 20 - HB3 LYS 65 lone 0 64 - 1 - HD3 LYS 43 - HB2 LYS 115 lone 0 61 - 1 - HD3 LYS 73 - HB2 LYS 123 lone 0 46 - 1 - HD3 LYS 20 - HB2 LYS 65 lone 0 62 - 1 - HD3 LYS 20 - HB3 LYS 65 lone 0 62 - 1 - HD2 LYS 40 - HB3 LYS 65 lone 0 47 - 1 - HD2 LYS 40 - HB2 LYS 65 lone 0 48 - 1 - HB ILE 56 - HB3 LYS 115 lone 0 83 - 0 - HB3 LYS 106 - HB2 LYS 39 lone 0 73 - 0 - HD2 LYS 73 - HB2 LYS 65 lone 0 56 - 1 - HD2 LYS 73 - HB3 LYS 65 lone 0 56 - 1 - HG LEU 74 - HB2 LYS 65 lone 0 76 - 0 - HG LEU 74 - HB3 LYS 65 lone 0 76 - 0 - HD3 LYS 40 - HB3 LYS 65 lone 0 44 - 1 - HB ILE 56 - HB2 LYS 39 lone 0 92 - 0 - HD3 LYS 40 - HB2 LYS 65 lone 0 44 - 1 - HD3 LYS 73 - HB2 LYS 65 lone 0 54 - 1 - HD3 LYS 73 - HB3 LYS 65 lone 0 53 - 1 - HB ILE 56 - HB2 LYS 115 lone 0 75 - 0 - HG LEU 74 - HB3 LYS 39 lone 0 60 - 1 - HB ILE 54 - HB3 LYS 115 lone 0 61 - 1 - HD3 LYS 43 - HB3 LYS 65 lone 0 53 - 1 - HD3 LYS 43 - HB2 LYS 65 lone 0 54 - 1 - HB2 LYS 106 - HB2 LYS 39 lone 0 65 - 0 - HB ILE 56 - HB2 LYS 65 lone 0 67 - 0 - HB ILE 56 - HB3 LYS 65 lone 0 67 - 0 - HB ILE 54 - HB2 LYS 115 lone 0 54 - 0 - HB ILE 54 - HB2 LYS 123 lone 0 40 - 1 - HD2 LYS 17 - HB3 LYS 39 lone 0 34 - 1 - HB ILE 56 - HB2 LYS 123 lone 0 58 - 0 - HB ILE 54 - HB3 LYS 39 lone 0 36 - 1 - HB3 LYS 106 - HB3 LYS 115 lone 0 65 - 0 - HB3 LYS 106 - HB2 LYS 123 lone 0 43 - 0 - HB2 LYS 106 - HB3 LYS 115 lone 0 57 - 0 - HB3 LYS 106 - HB2 LYS 115 lone 0 58 - 0 - HB3 LYS 106 - HB3 LYS 39 lone 0 39 - 0 - HB ILE 56 - HB3 LYS 39 lone 0 52 - 0 - HB2 LYS 106 - HB2 LYS 115 lone 0 51 - 0 - HB2 LYS 106 - HB2 LYS 123 lone 0 38 - 0 - HB2 LYS 106 - HB3 LYS 39 lone 0 34 - 0 - HB3 LYS 106 - HB3 LYS 65 lone 0 50 - 0 - HB3 LYS 106 - HB2 LYS 65 lone 0 51 - 0 - HB2 LYS 106 - HB3 LYS 65 lone 0 44 - 0 - HB2 LYS 106 - HB2 LYS 65 lone 0 44 - 0 - Peak 3574 from cnoeabs.peaks (1.71, 1.93, 32.05 ppm; 2.70 A): 7 out of 105 assignments used, quality = 1.00: HG3 LYS 39 + HB2 LYS 39 OK 85 97 - 88 - 2.9=80, 3598/4.0=5...(20) * HD2 LYS 39 + HB2 LYS 39 OK 75 100 - 75 - 3.5=45, 1.8/3610=6...(25) HD3 LYS 39 + HB2 LYS 39 OK 75 100 - 75 - 3.5=45, 1.8/3610=6...(25) HG3 LYS 123 + HB2 LYS 123 OK 58 63 - 91 - 2.9=77, 7114/3.8=11...(30) HG3 LYS 39 + HB3 LYS 39 OK 50 58 - 87 - 2.9=80, 3598/4.0=5...(20) HD2 LYS 39 + HB3 LYS 39 OK 46 63 - 74 - 3.5=45, 3610/1.8=6...(26) HD3 LYS 39 + HB3 LYS 39 OK 46 63 - 74 - 3.5=45, 3610/1.8=6...(26) HD3 LYS 44 - HB2 LYS 39 OK 12 100 - 12 - 3620=1, 3619/3.0=1 HD2 LYS 44 - HB2 LYS 39 OK 12 99 - 12 - 3620=1, 3619/3.0=1 HG3 LYS 123 - HB2 LYS 39 lone 9 97 - 10 - 2.9/7129=2, 2.9/7119=2 HG3 LYS 123 - HB2 LYS 65 poor 8 73 - 11 - 2.9/7129=2, 2.9/7119=2 HG3 LYS 123 - HB3 LYS 115 lone 8 89 - 9 - 2.9/7129=1, 2.9/7119=1 HG3 LYS 123 - HB3 LYS 65 poor 8 73 - 10 - 2.9/7129=2, 2.9/7119=2 HD3 LYS 44 - HB2 LYS 123 poor 7 68 - 11 - 3620=1 HD3 LYS 44 - HB3 LYS 39 poor 7 62 - 12 - 3619/3.0=1 HD2 LYS 44 - HB2 LYS 123 poor 7 66 - 11 - 3620=1 HD2 LYS 44 - HB3 LYS 39 poor 7 60 - 12 - 3619/3.0=1 HG3 LYS 123 - HB2 LYS 115 lone 6 82 - 7 - 2.9/7129=1, 2.9/7119=1 HG3 LYS 123 - HB3 LYS 39 lone 5 58 - 9 - 2.9/7129=1, 2.9/7119=1 HD3 LYS 39 - HB2 LYS 123 lone 5 69 - 7 - HD2 LYS 39 - HB2 LYS 123 lone 5 69 - 7 - HG3 LYS 39 - HB2 LYS 123 lone 4 63 - 7 - 7114/3.8=1, 7122/3.8=1 HG12 ILE 71 - HB2 LYS 123 lone 4 53 - 7 - ~10612=2 HG12 ILE 71 - HB2 LYS 65 lone 3 62 - 6 - HG12 ILE 71 - HB3 LYS 65 lone 3 62 - 6 - HD3 LYS 16 - HB2 LYS 39 lone 3 70 - 4 - HD3 LYS 16 - HB3 LYS 115 lone 2 61 - 3 - HD3 LYS 16 - HB2 LYS 115 lone 2 54 - 3 - HD3 LYS 16 - HB2 LYS 123 lone 2 40 - 4 - HB3 LEU 90 - HB3 LYS 65 lone 2 47 - 3 - ~10981=1 HB3 LEU 90 - HB2 LYS 65 lone 2 48 - 3 - ~10981=1 HD3 LYS 16 - HB3 LYS 39 lone 1 36 - 4 - HD2 LYS 20 - HB2 LYS 39 lone 1 65 - 2 - HB3 LEU 90 - HB2 LYS 39 lone 1 70 - 2 - HD3 LYS 20 - HB2 LYS 39 lone 1 61 - 2 - HD3 LYS 16 - HB2 LYS 65 lone 1 48 - 3 - HD3 LYS 16 - HB3 LYS 65 lone 1 47 - 3 - HG12 ILE 71 - HB3 LYS 115 lone 1 78 - 2 - HG LEU 74 - HB2 LYS 123 lone 1 68 - 2 - HG12 ILE 71 - HB2 LYS 115 lone 1 70 - 2 - HG3 LYS 39 - HB2 LYS 65 lone 1 73 - 1 - HD2 LYS 39 - HB2 LYS 115 lone 1 87 - 1 - HD3 LYS 39 - HB2 LYS 115 lone 1 87 - 1 - HG3 LYS 39 - HB3 LYS 65 lone 1 73 - 1 - HD2 LYS 39 - HB3 LYS 115 lone 1 95 - 1 - HD3 LYS 39 - HB3 LYS 115 lone 1 94 - 1 - HD3 LYS 39 - HB2 LYS 65 lone 1 79 - 1 - HD2 LYS 39 - HB2 LYS 65 lone 1 79 - 1 - HD3 LYS 39 - HB3 LYS 65 lone 1 78 - 1 - HD2 LYS 39 - HB3 LYS 65 lone 1 79 - 1 - HG12 ILE 71 - HB2 LYS 39 lone 1 87 - 1 - HG3 LYS 39 - HB3 LYS 115 lone 1 89 - 1 - HG3 LYS 39 - HB2 LYS 115 lone 1 82 - 1 - HG LEU 74 - HB3 LYS 115 lone 1 94 - 1 - HD3 LYS 44 - HB2 LYS 65 lone 1 78 - 1 - HG LEU 74 - HB2 LYS 115 lone 1 87 - 1 - HD3 LYS 44 - HB3 LYS 65 lone 1 77 - 1 - HD2 LYS 44 - HB2 LYS 65 lone 1 76 - 1 - HD2 LYS 44 - HB3 LYS 65 lone 1 76 - 1 - HD2 LYS 20 - HB3 LYS 39 lone 1 34 - 2 - HD3 LYS 44 - HB3 LYS 115 lone 1 94 - 1 - HD2 LYS 44 - HB3 LYS 115 lone 1 92 - 1 - HG LEU 74 - HB2 LYS 39 lone 1 100 - 1 - HD3 LYS 20 - HB3 LYS 39 lone 1 31 - 2 - HD3 LYS 44 - HB2 LYS 115 lone 1 86 - 1 - HD2 LYS 44 - HB2 LYS 115 lone 1 84 - 1 - HB3 LEU 90 - HB3 LYS 39 lone 1 36 - 2 - HB3 LYS 106 - HB2 LYS 39 lone 0 94 - 0 - HB2 LYS 106 - HB2 LYS 39 lone 0 90 - 0 - HG12 ILE 71 - HB3 LYS 39 lone 0 48 - 1 - HD2 LYS 20 - HB3 LYS 115 lone 0 57 - 1 - HG LEU 74 - HB2 LYS 65 lone 0 78 - 0 - HG LEU 74 - HB3 LYS 65 lone 0 78 - 0 - HD2 LYS 20 - HB2 LYS 115 lone 0 51 - 1 - HD3 LYS 20 - HB3 LYS 115 lone 0 54 - 1 - HD3 LYS 20 - HB2 LYS 115 lone 0 48 - 1 - HB3 LEU 90 - HB2 LYS 123 lone 0 40 - 1 - HG LEU 74 - HB3 LYS 39 lone 0 62 - 1 - HD2 LYS 20 - HB2 LYS 123 lone 0 38 - 1 - HD3 LYS 20 - HB2 LYS 123 lone 0 35 - 1 - HB3 LYS 106 - HB3 LYS 115 lone 0 85 - 0 - HB2 LYS 106 - HB3 LYS 115 lone 0 81 - 0 - HB3 LYS 106 - HB2 LYS 123 lone 0 60 - 0 - HB3 LYS 106 - HB2 LYS 115 lone 0 78 - 0 - HB3 LYS 106 - HB3 LYS 39 lone 0 54 - 0 - HB ILE 56 - HB3 LYS 115 lone 0 61 - 0 - HB ILE 56 - HB2 LYS 39 lone 0 70 - 0 - HB2 LYS 106 - HB2 LYS 115 lone 0 73 - 0 - HB2 LYS 106 - HB2 LYS 123 lone 0 56 - 0 - HB2 LYS 106 - HB3 LYS 39 lone 0 50 - 0 - HD2 LYS 20 - HB2 LYS 65 lone 0 44 - 1 - HD2 LYS 20 - HB3 LYS 65 lone 0 44 - 1 - HB3 LYS 106 - HB2 LYS 65 lone 0 69 - 0 - HB3 LYS 106 - HB3 LYS 65 lone 0 69 - 0 - HB ILE 56 - HB2 LYS 115 lone 0 54 - 0 - HB3 LEU 90 - HB3 LYS 115 lone 0 61 - 0 - HD3 LYS 20 - HB2 LYS 65 lone 0 41 - 1 - HD3 LYS 20 - HB3 LYS 65 lone 0 41 - 1 - HB2 LYS 106 - HB2 LYS 65 lone 0 65 - 0 - HB2 LYS 106 - HB3 LYS 65 lone 0 64 - 0 - HB ILE 56 - HB2 LYS 65 lone 0 48 - 0 - HB3 LEU 90 - HB2 LYS 115 lone 0 54 - 0 - HB ILE 56 - HB3 LYS 65 lone 0 47 - 0 - HB ILE 56 - HB2 LYS 123 lone 0 40 - 0 - HB ILE 56 - HB3 LYS 39 lone 0 36 - 0 - Peak 3575 from cnoeabs.peaks (1.70, 1.93, 32.05 ppm; 2.70 A): 7 out of 112 assignments used, quality = 1.00: HG3 LYS 39 + HB2 LYS 39 OK 86 98 - 88 - 2.9=80, 3598/4.0=6...(20) HD2 LYS 39 + HB2 LYS 39 OK 75 100 - 75 - 3.5=45, 1.8/3610=6...(25) * HD3 LYS 39 + HB2 LYS 39 OK 75 100 - 75 - 3.5=45, 1.8/3610=6...(25) HG3 LYS 123 + HB2 LYS 123 OK 59 65 - 91 - 2.9=77, 7114/3.8=11...(30) HG3 LYS 39 + HB3 LYS 39 OK 51 59 - 87 - 2.9=80, 3598/4.0=6...(20) HD3 LYS 39 + HB3 LYS 39 OK 46 63 - 74 - 3.5=45, 3610/1.8=6...(26) HD2 LYS 39 + HB3 LYS 39 OK 46 63 - 74 - 3.5=45, 3610/1.8=6...(26) HD3 LYS 44 - HB2 LYS 39 OK 12 100 - 12 - 3620=1, 3619/3.0=1 HD2 LYS 44 - HB2 LYS 39 OK 12 99 - 12 - 3620=1, 3619/3.0=1 HG3 LYS 123 - HB2 LYS 39 lone 9 98 - 10 - 2.9/7129=2, 2.9/7119=2 HG3 LYS 123 - HB2 LYS 65 poor 8 74 - 11 - 2.9/7129=2, 2.9/7119=2 HG3 LYS 123 - HB3 LYS 115 lone 8 91 - 9 - 2.9/7129=1, 2.9/7119=1 HG3 LYS 123 - HB3 LYS 65 poor 8 74 - 10 - 2.9/7129=2, 2.9/7119=2 HD3 LYS 44 - HB2 LYS 123 poor 8 68 - 11 - 3620=1 HD2 LYS 44 - HB2 LYS 123 poor 7 67 - 11 - 3620=1 HD3 LYS 44 - HB3 LYS 39 poor 7 62 - 12 - 3619/3.0=1 HD2 LYS 44 - HB3 LYS 39 poor 7 61 - 12 - 3619/3.0=1 HG3 LYS 123 - HB2 LYS 115 lone 6 83 - 7 - 2.9/7129=1, 2.9/7119=1 HG3 LYS 123 - HB3 LYS 39 lone 5 59 - 9 - 2.9/7129=1, 2.9/7119=1 HD3 LYS 39 - HB2 LYS 123 lone 5 69 - 7 - HD2 LYS 39 - HB2 LYS 123 lone 5 69 - 7 - HG3 LYS 39 - HB2 LYS 123 lone 4 65 - 7 - 7114/3.8=1, 7122/3.8=1 HG12 ILE 71 - HB2 LYS 123 lone 4 56 - 7 - ~10612=2 HG12 ILE 71 - HB2 LYS 65 lone 4 65 - 6 - HG12 ILE 71 - HB3 LYS 65 lone 4 64 - 6 - HD3 LYS 16 - HB2 LYS 39 lone 3 73 - 4 - HD2 LYS 16 - HB2 LYS 39 lone 2 61 - 4 - HD3 LYS 16 - HB3 LYS 115 lone 2 65 - 3 - HD3 LYS 16 - HB2 LYS 115 lone 2 58 - 3 - HD3 LYS 16 - HB2 LYS 123 lone 2 43 - 4 - HD2 LYS 16 - HB3 LYS 115 lone 2 54 - 3 - HD3 LYS 16 - HB3 LYS 39 lone 2 39 - 4 - HD2 LYS 20 - HB2 LYS 39 lone 1 70 - 2 - HD2 LYS 16 - HB2 LYS 115 lone 1 48 - 3 - HB3 LEU 90 - HB3 LYS 65 lone 1 44 - 3 - ~10981=1 HB3 LEU 90 - HB2 LYS 65 lone 1 44 - 3 - ~10981=1 HD3 LYS 20 - HB2 LYS 39 lone 1 65 - 2 - HD3 LYS 16 - HB2 LYS 65 lone 1 51 - 3 - HD3 LYS 16 - HB3 LYS 65 lone 1 50 - 3 - HD2 LYS 16 - HB2 LYS 123 lone 1 35 - 4 - HG12 ILE 71 - HB3 LYS 115 lone 1 81 - 2 - HD2 LYS 16 - HB3 LYS 39 lone 1 31 - 4 - HB3 LEU 90 - HB2 LYS 39 lone 1 65 - 2 - HG12 ILE 71 - HB2 LYS 115 lone 1 73 - 2 - HG LEU 74 - HB2 LYS 123 lone 1 69 - 2 - HD2 LYS 16 - HB2 LYS 65 lone 1 41 - 3 - HD2 LYS 16 - HB3 LYS 65 lone 1 41 - 3 - HG3 LYS 39 - HB2 LYS 65 lone 1 74 - 1 - HG3 LYS 39 - HB3 LYS 65 lone 1 74 - 1 - HD3 LYS 39 - HB2 LYS 115 lone 1 87 - 1 - HD2 LYS 39 - HB2 LYS 115 lone 1 87 - 1 - HD3 LYS 39 - HB3 LYS 115 lone 1 95 - 1 - HD2 LYS 39 - HB3 LYS 115 lone 1 94 - 1 - HD3 LYS 39 - HB2 LYS 65 lone 1 79 - 1 - HD3 LYS 39 - HB3 LYS 65 lone 1 79 - 1 - HD2 LYS 39 - HB2 LYS 65 lone 1 79 - 1 - HD2 LYS 39 - HB3 LYS 65 lone 1 78 - 1 - HG12 ILE 71 - HB2 LYS 39 lone 1 90 - 1 - HG3 LYS 39 - HB3 LYS 115 lone 1 91 - 1 - HG3 LYS 39 - HB2 LYS 115 lone 1 83 - 1 - HG LEU 74 - HB3 LYS 115 lone 1 94 - 1 - HD2 LYS 20 - HB3 LYS 39 lone 1 36 - 2 - HD3 LYS 44 - HB2 LYS 65 lone 1 78 - 1 - HD3 LYS 44 - HB3 LYS 65 lone 1 78 - 1 - HG LEU 74 - HB2 LYS 115 lone 1 87 - 1 - HD2 LYS 44 - HB2 LYS 65 lone 1 77 - 1 - HD2 LYS 44 - HB3 LYS 65 lone 1 77 - 1 - HD3 LYS 44 - HB3 LYS 115 lone 1 94 - 1 - HD3 LYS 20 - HB3 LYS 39 lone 1 34 - 2 - HD2 LYS 44 - HB3 LYS 115 lone 1 93 - 1 - HG LEU 74 - HB2 LYS 39 lone 1 100 - 1 - HD3 LYS 44 - HB2 LYS 115 lone 1 87 - 1 - HD2 LYS 44 - HB2 LYS 115 lone 1 86 - 1 - HB3 LEU 90 - HB3 LYS 39 lone 1 34 - 2 - HB3 LYS 106 - HB2 LYS 39 lone 0 92 - 0 - HD2 LYS 20 - HB3 LYS 115 lone 0 61 - 1 - HG12 ILE 71 - HB3 LYS 39 lone 0 50 - 1 - HB2 LYS 106 - HB2 LYS 39 lone 0 87 - 0 - HD2 LYS 20 - HB2 LYS 115 lone 0 54 - 1 - HD3 LYS 20 - HB3 LYS 115 lone 0 57 - 1 - HG LEU 74 - HB2 LYS 65 lone 0 79 - 0 - HD3 LYS 20 - HB2 LYS 115 lone 0 51 - 1 - HG LEU 74 - HB3 LYS 65 lone 0 78 - 0 - HD2 LYS 20 - HB2 LYS 123 lone 0 40 - 1 - HG LEU 74 - HB3 LYS 39 lone 0 63 - 1 - HB3 LEU 90 - HB2 LYS 123 lone 0 38 - 1 - HD3 LYS 20 - HB2 LYS 123 lone 0 38 - 1 - HB3 LYS 106 - HB3 LYS 115 lone 0 83 - 0 - HB ILE 56 - HB3 LYS 115 lone 0 65 - 0 - HB2 LYS 106 - HB3 LYS 115 lone 0 78 - 0 - HB ILE 56 - HB2 LYS 39 lone 0 73 - 0 - HB3 LYS 106 - HB2 LYS 123 lone 0 58 - 0 - HD2 LYS 20 - HB2 LYS 65 lone 0 48 - 1 - HD2 LYS 20 - HB3 LYS 65 lone 0 47 - 1 - HB3 LYS 106 - HB2 LYS 115 lone 0 75 - 0 - HB3 LYS 106 - HB3 LYS 39 lone 0 52 - 0 - HB ILE 56 - HB2 LYS 115 lone 0 58 - 0 - HD3 LYS 20 - HB2 LYS 65 lone 0 44 - 1 - HD3 LYS 20 - HB3 LYS 65 lone 0 44 - 1 - HB2 LYS 106 - HB2 LYS 115 lone 0 70 - 0 - HB2 LYS 106 - HB2 LYS 123 lone 0 53 - 0 - HB2 LYS 106 - HB3 LYS 39 lone 0 48 - 0 - HB3 LYS 106 - HB2 LYS 65 lone 0 67 - 0 - HB3 LYS 106 - HB3 LYS 65 lone 0 67 - 0 - HB ILE 56 - HB2 LYS 65 lone 0 51 - 0 - HB ILE 56 - HB3 LYS 65 lone 0 50 - 0 - HB3 LEU 90 - HB3 LYS 115 lone 0 57 - 0 - HB2 LYS 106 - HB2 LYS 65 lone 0 62 - 0 - HB2 LYS 106 - HB3 LYS 65 lone 0 62 - 0 - HB3 LEU 90 - HB2 LYS 115 lone 0 51 - 0 - HB ILE 56 - HB2 LYS 123 lone 0 43 - 0 - HB ILE 56 - HB3 LYS 39 lone 0 39 - 0 - Peak 3576 from cnoeabs.peaks (2.98, 1.93, 32.05 ppm; 3.82 A): 4 out of 98 assignments used, quality = 1.00: HE3 LYS 39 + HB2 LYS 39 OK 88 100 - 88 - 5.0=44, 3642/2.9=9...(45) * HE2 LYS 39 + HB2 LYS 39 OK 88 100 - 88 - 5.0=44, 3642/2.9=9...(45) HE2 LYS 39 + HB3 LYS 39 OK 55 63 - 87 - 5.0=44, 3642/2.9=9...(46) HE3 LYS 39 + HB3 LYS 39 OK 54 62 - 87 - 5.0=44, 3642/2.9=9...(46) HD3 ARG 118 - HB3 LYS 115 OK 28 87 - 32 - 10540/3.0=12, ~11598=11...(4) HD3 ARG 118 - HB2 LYS 115 OK 26 80 - 32 - 10540/3.0=12, ~11598=11...(4) HD3 ARG 118 - HB2 LYS 65 OK 18 71 - 25 - 10540/3.0=8, ~10539=6...(5) HD3 ARG 118 - HB3 LYS 65 OK 18 71 - 25 - 10540/3.0=8, ~10539=6...(5) HE2 LYS 40 - HB2 LYS 39 OK 17 90 - 19 - 7.5/7473=3, 6.4/3651=1 HE3 LYS 40 - HB2 LYS 39 OK 16 84 - 19 - 7.5/7473=3, 6.4/3651=1 HE2 LYS 43 - HB2 LYS 39 OK 13 100 - 13 - 3567/3.0=1 HE3 LYS 43 - HB2 LYS 39 OK 13 99 - 13 - 3567/3.0=1, ~3567=1, 1257/4.3=1 HE2 LYS 40 - HB3 LYS 39 poor 10 50 - 19 - 1257/4.3=3, 6.4/3651=1 HE3 LYS 40 - HB3 LYS 39 poor 8 46 - 18 - 1257/4.3=3, 6.4/3651=1 HE2 LYS 43 - HB3 LYS 39 poor 8 63 - 13 - 3567/3.0=1 HE3 LYS 43 - HB3 LYS 39 poor 8 61 - 13 - 3567/3.0=1, ~3567=1, 1257/4.3=1 HE2 LYS 73 - HB2 LYS 39 lone 7 100 - 7 - HE3 LYS 73 - HB2 LYS 39 lone 7 100 - 7 - HE2 LYS 73 - HB3 LYS 39 lone 4 62 - 7 - HE2 LYS 39 - HB2 LYS 123 lone 4 69 - 6 - HE3 LYS 39 - HB2 LYS 123 lone 4 68 - 6 - HE3 LYS 73 - HB3 LYS 39 lone 4 62 - 7 - HE2 LYS 20 - HB2 LYS 39 lone 4 77 - 5 - HE3 LYS 20 - HB2 LYS 39 lone 4 77 - 5 - HE2 LYS 20 - HB3 LYS 39 lone 2 41 - 5 - HE3 LYS 20 - HB3 LYS 39 lone 2 41 - 5 - HE3 LYS 39 - HB2 LYS 115 lone 2 87 - 2 - HE3 LYS 39 - HB3 LYS 115 lone 2 94 - 2 - HE2 LYS 39 - HB2 LYS 115 lone 2 87 - 2 - HE2 LYS 39 - HB3 LYS 115 lone 2 95 - 2 - HB3 ASN 24 - HB3 LYS 115 lone 2 78 - 2 - HB2 ASN 24 - HB3 LYS 115 lone 2 78 - 2 - HE2 LYS 40 - HB3 LYS 115 lone 2 81 - 2 - HE2 LYS 39 - HB3 LYS 65 lone 1 79 - 2 - HE3 LYS 39 - HB3 LYS 65 lone 1 78 - 2 - HE2 LYS 39 - HB2 LYS 65 lone 1 79 - 2 - HE3 LYS 39 - HB2 LYS 65 lone 1 78 - 2 - HE2 LYS 40 - HB2 LYS 115 lone 1 73 - 2 - HB2 ASN 24 - HB2 LYS 115 lone 1 70 - 2 - HB3 ASN 24 - HB2 LYS 115 lone 1 70 - 2 - HE3 LYS 40 - HB3 LYS 115 lone 1 75 - 2 - HE2 LYS 43 - HB3 LYS 115 lone 1 94 - 1 - HE3 LYS 20 - HB3 LYS 115 lone 1 68 - 2 - HE2 LYS 20 - HB3 LYS 115 lone 1 68 - 2 - HE2 LYS 43 - HB2 LYS 115 lone 1 87 - 1 - HE3 LYS 43 - HB3 LYS 115 lone 1 93 - 1 - HE3 LYS 40 - HB2 LYS 115 lone 1 67 - 2 - HE3 LYS 43 - HB2 LYS 115 lone 1 86 - 1 - HE2 LYS 73 - HB3 LYS 115 lone 1 94 - 1 - HE2 LYS 73 - HB2 LYS 115 lone 1 86 - 1 - HE3 LYS 20 - HB2 LYS 115 lone 1 61 - 2 - HE2 LYS 20 - HB2 LYS 115 lone 1 61 - 2 - HE3 LYS 73 - HB3 LYS 115 lone 1 94 - 1 - HE3 LYS 73 - HB2 LYS 115 lone 1 87 - 1 - HE2 LYS 40 - HB2 LYS 123 lone 1 56 - 2 - HE2 LYS 43 - HB2 LYS 123 lone 1 69 - 1 - HE3 LYS 43 - HB2 LYS 123 lone 1 67 - 1 - HE3 LYS 40 - HB2 LYS 123 lone 1 51 - 2 - HE2 LYS 40 - HB2 LYS 65 lone 1 65 - 1 - HE2 LYS 40 - HB3 LYS 65 lone 1 64 - 1 - HE2 LYS 43 - HB3 LYS 65 lone 1 78 - 1 - HE2 LYS 43 - HB2 LYS 65 lone 1 79 - 1 - HE3 LYS 73 - HB3 LYS 65 lone 1 78 - 1 - HE3 LYS 73 - HB2 LYS 65 lone 1 78 - 1 - HE2 LYS 73 - HB3 LYS 65 lone 1 77 - 1 - HE2 LYS 73 - HB2 LYS 65 lone 1 78 - 1 - HE3 LYS 43 - HB3 LYS 65 lone 1 77 - 1 - HE3 LYS 43 - HB2 LYS 65 lone 1 77 - 1 - HE3 LYS 40 - HB2 LYS 65 lone 1 59 - 1 - HE3 LYS 40 - HB3 LYS 65 lone 1 59 - 1 - HE2 LYS 73 - HB2 LYS 123 lone 1 68 - 1 - HE3 LYS 73 - HB2 LYS 123 lone 1 68 - 1 - HD3 ARG 118 - HB2 LYS 39 lone 1 96 - 1 - HB2 ASN 24 - HB2 LYS 39 lone 1 87 - 1 - HB3 ASN 24 - HB2 LYS 39 lone 1 87 - 1 - HE3 LYS 20 - HB3 LYS 65 lone 1 53 - 1 - HE2 LYS 20 - HB3 LYS 65 lone 1 53 - 1 - HE3 LYS 20 - HB2 LYS 65 lone 1 54 - 1 - HE2 LYS 20 - HB2 LYS 65 lone 1 54 - 1 - HB3 PHE 51 - HB2 LYS 39 lone 1 87 - 1 - HB3 PHE 51 - HB3 LYS 115 lone 1 78 - 1 - HE3 LYS 20 - HB2 LYS 123 lone 1 46 - 1 - HE2 LYS 20 - HB2 LYS 123 lone 1 46 - 1 - HB3 PHE 51 - HB2 LYS 65 lone 0 62 - 1 - HB3 PHE 51 - HB3 LYS 65 lone 0 62 - 1 - HB3 PHE 51 - HB2 LYS 115 lone 0 70 - 1 - HD3 ARG 118 - HB2 LYS 123 lone 0 62 - 1 - HB3 ASN 24 - HB2 LYS 65 lone 0 62 - 1 - HB2 ASN 24 - HB2 LYS 65 lone 0 62 - 1 - HB3 ASN 24 - HB3 LYS 65 lone 0 62 - 1 - HB2 ASN 24 - HB3 LYS 65 lone 0 62 - 1 - HD3 ARG 118 - HB3 LYS 39 lone 0 56 - 1 - HB2 ASN 24 - HB3 LYS 39 lone 0 48 - 1 - HB3 ASN 24 - HB3 LYS 39 lone 0 48 - 1 - HB3 PHE 51 - HB3 LYS 39 lone 0 48 - 1 - HB3 PHE 51 - HB2 LYS 123 lone 0 53 - 0 - HB3 ASN 24 - HB2 LYS 123 lone 0 53 - 0 - HB2 ASN 24 - HB2 LYS 123 lone 0 53 - 0 - Peak 3577 from cnoeabs.peaks (2.98, 1.93, 32.05 ppm; 3.82 A): 4 out of 98 assignments used, quality = 1.00: * HE3 LYS 39 + HB2 LYS 39 OK 88 100 - 88 - 5.0=44, 3642/2.9=9...(46) HE2 LYS 39 + HB2 LYS 39 OK 88 100 - 88 - 5.0=44, 3642/2.9=9...(46) HE3 LYS 39 + HB3 LYS 39 OK 55 63 - 87 - 5.0=44, 3642/2.9=9...(46) HE2 LYS 39 + HB3 LYS 39 OK 54 62 - 87 - 5.0=44, 3642/2.9=9...(46) HD3 ARG 118 - HB3 LYS 115 OK 26 83 - 32 - 10540/3.0=11, ~11598=11...(4) HD3 ARG 118 - HB2 LYS 115 OK 24 75 - 32 - 10540/3.0=11, ~11598=11...(4) HD3 ARG 118 - HB2 LYS 65 OK 16 67 - 24 - 10540/3.0=8, ~10539=6...(5) HE2 LYS 40 - HB2 LYS 39 OK 16 84 - 19 - 7.5/7473=3, 6.4/3651=1 HD3 ARG 118 - HB3 LYS 65 OK 16 67 - 24 - 10540/3.0=8, ~10539=6...(5) HE3 LYS 40 - HB2 LYS 39 OK 14 77 - 19 - 7.5/7473=3, 6.4/3651=1 HE2 LYS 43 - HB2 LYS 39 OK 13 100 - 13 - 3567/3.0=1 HE3 LYS 43 - HB2 LYS 39 OK 13 98 - 13 - 3567/3.0=1, ~3567=1 HE2 LYS 40 - HB3 LYS 39 poor 9 46 - 19 - 1257/4.3=2, 6.4/3651=1 HE2 LYS 43 - HB3 LYS 39 poor 8 63 - 13 - 3567/3.0=1 HE3 LYS 40 - HB3 LYS 39 poor 7 41 - 18 - 1257/4.3=2, 6.4/3651=1 HE3 LYS 43 - HB3 LYS 39 poor 7 59 - 13 - 3567/3.0=1, ~3567=1 HE2 LYS 73 - HB2 LYS 39 lone 7 100 - 7 - HE3 LYS 73 - HB2 LYS 39 lone 7 99 - 7 - HE2 LYS 73 - HB3 LYS 39 lone 4 63 - 7 - HE3 LYS 39 - HB2 LYS 123 lone 4 69 - 6 - HE2 LYS 39 - HB2 LYS 123 lone 4 68 - 6 - HE3 LYS 73 - HB3 LYS 39 lone 4 61 - 7 - HE2 LYS 20 - HB2 LYS 39 lone 3 70 - 5 - HE3 LYS 20 - HB2 LYS 39 lone 3 70 - 5 - HE3 LYS 39 - HB2 LYS 115 lone 2 87 - 2 - HE3 LYS 39 - HB3 LYS 115 lone 2 95 - 2 - HE2 LYS 39 - HB2 LYS 115 lone 2 87 - 2 - HE2 LYS 39 - HB3 LYS 115 lone 2 94 - 2 - HE2 LYS 20 - HB3 LYS 39 lone 2 36 - 5 - HE3 LYS 20 - HB3 LYS 39 lone 2 36 - 5 - HE3 LYS 39 - HB3 LYS 65 lone 2 79 - 2 - HE3 LYS 39 - HB2 LYS 65 lone 1 79 - 2 - HE2 LYS 39 - HB3 LYS 65 lone 1 78 - 2 - HE2 LYS 39 - HB2 LYS 65 lone 1 78 - 2 - HE2 LYS 40 - HB3 LYS 115 lone 1 75 - 2 - HB2 ASN 24 - HB3 LYS 115 lone 1 72 - 2 - HB3 ASN 24 - HB3 LYS 115 lone 1 72 - 2 - HE2 LYS 43 - HB3 LYS 115 lone 1 94 - 1 - HE2 LYS 40 - HB2 LYS 115 lone 1 67 - 2 - HE2 LYS 43 - HB2 LYS 115 lone 1 87 - 1 - HE2 LYS 73 - HB3 LYS 115 lone 1 94 - 1 - HE2 LYS 73 - HB2 LYS 115 lone 1 87 - 1 - HE3 LYS 43 - HB3 LYS 115 lone 1 91 - 1 - HB2 ASN 24 - HB2 LYS 115 lone 1 64 - 2 - HB3 ASN 24 - HB2 LYS 115 lone 1 64 - 2 - HE3 LYS 40 - HB3 LYS 115 lone 1 68 - 2 - HE3 LYS 43 - HB2 LYS 115 lone 1 83 - 1 - HE2 LYS 20 - HB3 LYS 115 lone 1 61 - 2 - HE3 LYS 20 - HB3 LYS 115 lone 1 61 - 2 - HE3 LYS 40 - HB2 LYS 115 lone 1 61 - 2 - HE3 LYS 73 - HB3 LYS 115 lone 1 93 - 1 - HE3 LYS 73 - HB2 LYS 115 lone 1 86 - 1 - HE3 LYS 20 - HB2 LYS 115 lone 1 54 - 2 - HE2 LYS 20 - HB2 LYS 115 lone 1 54 - 2 - HE2 LYS 40 - HB2 LYS 123 lone 1 51 - 2 - HE2 LYS 43 - HB2 LYS 123 lone 1 69 - 1 - HE3 LYS 43 - HB2 LYS 123 lone 1 65 - 1 - HE2 LYS 43 - HB3 LYS 65 lone 1 78 - 1 - HE2 LYS 43 - HB2 LYS 65 lone 1 79 - 1 - HE2 LYS 73 - HB3 LYS 65 lone 1 78 - 1 - HE2 LYS 73 - HB2 LYS 65 lone 1 79 - 1 - HE3 LYS 73 - HB3 LYS 65 lone 1 77 - 1 - HE3 LYS 73 - HB2 LYS 65 lone 1 77 - 1 - HE3 LYS 43 - HB3 LYS 65 lone 1 74 - 1 - HE3 LYS 43 - HB2 LYS 65 lone 1 74 - 1 - HE2 LYS 40 - HB2 LYS 65 lone 1 59 - 1 - HE2 LYS 40 - HB3 LYS 65 lone 1 59 - 1 - HE3 LYS 40 - HB2 LYS 123 lone 1 46 - 2 - HE2 LYS 73 - HB2 LYS 123 lone 1 69 - 1 - HE3 LYS 73 - HB2 LYS 123 lone 1 67 - 1 - HE3 LYS 40 - HB2 LYS 65 lone 1 54 - 1 - HE3 LYS 40 - HB3 LYS 65 lone 1 53 - 1 - HD3 ARG 118 - HB2 LYS 39 lone 1 92 - 1 - HB2 ASN 24 - HB2 LYS 39 lone 1 81 - 1 - HB3 ASN 24 - HB2 LYS 39 lone 1 81 - 1 - HE2 LYS 20 - HB3 LYS 65 lone 1 47 - 1 - HE3 LYS 20 - HB3 LYS 65 lone 1 47 - 1 - HE3 LYS 20 - HB2 LYS 65 lone 1 48 - 1 - HE2 LYS 20 - HB2 LYS 65 lone 1 48 - 1 - HB3 PHE 51 - HB2 LYS 39 lone 0 81 - 1 - HB3 PHE 51 - HB3 LYS 115 lone 0 72 - 1 - HE3 LYS 20 - HB2 LYS 123 lone 0 40 - 1 - HE2 LYS 20 - HB2 LYS 123 lone 0 40 - 1 - HB3 PHE 51 - HB2 LYS 65 lone 0 56 - 1 - HB3 PHE 51 - HB3 LYS 65 lone 0 56 - 1 - HD3 ARG 118 - HB2 LYS 123 lone 0 58 - 1 - HB3 PHE 51 - HB2 LYS 115 lone 0 64 - 1 - HB3 ASN 24 - HB2 LYS 65 lone 0 56 - 1 - HB2 ASN 24 - HB2 LYS 65 lone 0 56 - 1 - HB3 ASN 24 - HB3 LYS 65 lone 0 56 - 1 - HB2 ASN 24 - HB3 LYS 65 lone 0 56 - 1 - HD3 ARG 118 - HB3 LYS 39 lone 0 52 - 1 - HB2 ASN 24 - HB3 LYS 39 lone 0 44 - 1 - HB3 ASN 24 - HB3 LYS 39 lone 0 44 - 1 - HB3 PHE 51 - HB3 LYS 39 lone 0 44 - 1 - HB3 PHE 51 - HB2 LYS 123 lone 0 48 - 0 - HB3 ASN 24 - HB2 LYS 123 lone 0 48 - 0 - HB2 ASN 24 - HB2 LYS 123 lone 0 48 - 0 - Peak 3578 from cnoeabs.peaks (7.83, 1.95, 32.05 ppm; 3.11 A): 4 out of 30 assignments used, quality = 0.91: * H LYS 39 + HB3 LYS 39 OK 74 100 - 74 - 4.0=46, 3598/2.9=11...(15) H LYS 39 + HB2 LYS 39 OK 47 63 - 74 - 4.0=46, 3598/2.9=11...(15) H ILE 97 + HB3 LYS 39 OK 26 100 - 26 - 218/4.3=6, 3588/2.9=4...(8) H ILE 97 + HB2 LYS 39 OK 15 62 - 24 - 218/4.3=6, 3588/2.9=4...(8) H VAL 78 - HB3 LYS 39 lone 5 100 - 5 - 3588/2.9=1, 3598/2.9=1 H VAL 78 - HB2 LYS 39 lone 3 63 - 5 - 3588/2.9=1, 3598/2.9=1 H ILE 97 - HB3 LYS 115 lone 2 54 - 3 - 4.0/10115=1 H TYR 27 - HB3 LYS 39 lone 1 73 - 1 - HE21 GLN 62 - HB3 LYS 39 lone 1 65 - 2 - H LYS 39 - HB2 LYS 123 lone 1 36 - 3 - H ILE 97 - HB2 LYS 123 lone 1 36 - 2 - H LYS 39 - HB3 LYS 115 lone 1 55 - 1 - H ILE 97 - HB2 LYS 65 lone 1 42 - 2 - H LYS 39 - HB2 LYS 65 lone 1 42 - 1 - H ILE 97 - HB3 LYS 65 lone 1 38 - 2 - H TYR 27 - HB2 LYS 39 lone 1 39 - 1 - H LYS 39 - HB3 LYS 65 lone 1 38 - 1 - HE21 GLN 62 - HB2 LYS 39 lone 1 34 - 2 - HE21 GLN 62 - HB2 LYS 65 lone 1 22 - 3 - 5.7/8104=2 HE21 GLN 62 - HB3 LYS 65 lone 0 20 - 3 - 5.7/8104=2 H VAL 78 - HB3 LYS 115 lone 0 55 - 0 - H VAL 78 - HB2 LYS 65 lone 0 42 - 0 - H VAL 78 - HB2 LYS 123 lone 0 36 - 1 - H VAL 78 - HB3 LYS 65 lone 0 38 - 0 - HE21 GLN 62 - HB3 LYS 115 lone 0 29 - 1 - H TYR 27 - HB3 LYS 115 lone 0 33 - 0 - H TYR 27 - HB2 LYS 123 lone 0 21 - 1 - H TYR 27 - HB2 LYS 65 lone 0 25 - 0 - H TYR 27 - HB3 LYS 65 lone 0 23 - 0 - HE21 GLN 62 - HB2 LYS 123 lone 0 18 - 0 - Peak 3579 from cnoeabs.peaks (3.84, 1.95, 32.05 ppm; 3.24 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 39 + HB3 LYS 39 OK 100 100 - 100 - 3.0=100 HA LYS 39 + HB2 LYS 39 OK 63 63 - 100 - 3.0=100 Peak 3580 from cnoeabs.peaks (1.93, 1.95, 32.05 ppm; diagonal): 3 out of 6 assignments used, quality = 0.97: HB3 LYS 39 + HB3 LYS 39 OK 81 81 - 100 HB2 LYS 39 + HB2 LYS 39 OK 63 63 - 100 HB3 LYS 115 + HB3 LYS 115 OK 55 55 - 100 HB2 LYS 65 - HB2 LYS 65 OK 42 42 - 100 HB3 LYS 65 - HB3 LYS 65 OK 38 38 - 100 HB2 LYS 123 - HB2 LYS 123 OK 36 36 - 100 Reference assignment not found: HB2 LYS 39 - HB3 LYS 39 Peak 3581 from cnoeabs.peaks (1.95, 1.95, 32.05 ppm; diagonal): 1 out of 6 assignments used, quality = 1.00: * HB3 LYS 39 + HB3 LYS 39 OK 100 100 - 100 HB2 LYS 39 - HB2 LYS 39 OK 44 44 - 100 HB3 LYS 115 - HB3 LYS 115 OK 38 38 - 100 HB2 LYS 65 - HB2 LYS 65 OK 29 29 - 100 HB3 LYS 65 - HB3 LYS 65 OK 24 24 - 100 HB2 LYS 123 - HB2 LYS 123 OK 24 24 - 100 Peak 3582 from cnoeabs.peaks (1.46, 1.95, 32.05 ppm; 3.12 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 39 + HB3 LYS 39 OK 100 100 - 100 - 2.9=100 HG2 LYS 39 + HB2 LYS 39 OK 63 63 - 100 - 2.9=100 Peak 3583 from cnoeabs.peaks (1.70, 1.95, 32.05 ppm; 2.74 A): 4 out of 144 assignments used, quality = 1.00: * HG3 LYS 39 + HB3 LYS 39 OK 91 100 - 91 - 2.9=85, 3598/4.0=6...(21) HD3 LYS 39 + HB3 LYS 39 OK 75 98 - 77 - 3.5=47, 1.8/3611=6...(27) HD2 LYS 39 + HB3 LYS 39 OK 74 97 - 77 - 3.5=47, 1.8/3611=6...(27) HG3 LYS 39 + HB2 LYS 39 OK 57 63 - 91 - 2.9=85, 3598/4.0=6...(20) HD3 LYS 39 - HB2 LYS 39 OK 45 59 - 76 - 3.5=47, 3621/1.8=6...(26) HD2 LYS 39 - HB2 LYS 39 OK 44 58 - 76 - 3.5=47, 3621/1.8=6...(26) HG3 LYS 123 - HB2 LYS 123 OK 33 36 - 93 - 2.9=81, 7114/3.8=12...(29) HD3 LYS 44 - HB3 LYS 39 OK 13 99 - 13 - 3621=1, 3619/3.0=1 HD2 LYS 44 - HB3 LYS 39 OK 12 100 - 12 - 3621=1, 3619/3.0=1 HG3 LYS 123 - HB3 LYS 39 lone 9 100 - 9 - 2.9/7129=1, 2.9/7119=1 HD2 LYS 40 - HB3 LYS 39 poor 8 70 - 12 - 6.2/7474=2 HD3 LYS 40 - HB3 LYS 39 poor 7 65 - 12 - 6.2/7474=2 HD2 LYS 44 - HB2 LYS 39 poor 7 62 - 12 - 3619/3.0=1 HD3 LYS 44 - HB2 LYS 39 poor 7 61 - 12 - 3619/3.0=1 HG3 LYS 123 - HB2 LYS 39 lone 5 63 - 8 - 2.9/7129=1, 2.9/7119=1 HD3 LYS 96 - HB3 LYS 39 lone 5 73 - 7 - HG3 LYS 123 - HB3 LYS 115 lone 5 55 - 8 - 2.9/7129=1 HD3 LYS 16 - HB3 LYS 39 lone 4 92 - 5 - HG3 LYS 123 - HB2 LYS 65 poor 4 42 - 10 - 2.9/7129=1, 2.9/7119=1 HD2 LYS 96 - HB3 LYS 39 lone 4 65 - 6 - HD2 LYS 16 - HB3 LYS 39 lone 4 84 - 5 - HD2 LYS 44 - HB2 LYS 123 poor 4 36 - 11 - HD3 LYS 43 - HB3 LYS 39 lone 4 77 - 5 - HD3 LYS 44 - HB2 LYS 123 poor 4 35 - 11 - HD2 LYS 40 - HB2 LYS 39 poor 4 36 - 10 - 6.2/7474=1 HG3 LYS 123 - HB3 LYS 65 lone 4 38 - 9 - 2.9/7129=1, 2.9/7119=1 HD3 LYS 40 - HB2 LYS 39 poor 3 34 - 10 - 6.2/7474=1 HG3 LYS 39 - HB2 LYS 123 lone 3 36 - 7 - 7114/3.8=2, 7122/3.8=1 HG12 ILE 71 - HB2 LYS 65 lone 2 40 - 6 - 11370/3.0=1 HG12 ILE 71 - HB2 LYS 123 lone 2 34 - 7 - ~10612=2, 4.6/436=1, ~9778=1 HD3 LYS 16 - HB2 LYS 39 lone 2 52 - 4 - HD3 LYS 39 - HB2 LYS 123 lone 2 33 - 7 - HD2 LYS 39 - HB2 LYS 123 lone 2 33 - 7 - HD3 LYS 96 - HB2 LYS 39 lone 2 39 - 6 - HD2 LYS 73 - HB3 LYS 39 lone 2 81 - 3 - HG12 ILE 71 - HB3 LYS 65 lone 2 36 - 6 - 11370/3.0=1 HD2 LYS 20 - HB3 LYS 39 lone 2 90 - 2 - HD3 LYS 73 - HB3 LYS 39 lone 2 77 - 3 - HD3 LYS 20 - HB3 LYS 39 lone 2 87 - 2 - HD2 LYS 16 - HB2 LYS 39 lone 2 46 - 4 - HD3 LYS 43 - HB2 LYS 39 lone 2 41 - 5 - HD2 LYS 96 - HB2 LYS 39 lone 2 34 - 6 - HD3 LYS 16 - HB3 LYS 115 lone 2 45 - 3 - HD2 LYS 16 - HB3 LYS 115 lone 1 40 - 3 - HD3 LYS 16 - HB2 LYS 123 lone 1 29 - 4 - HD2 LYS 20 - HB2 LYS 39 lone 1 50 - 2 - HD3 LYS 20 - HB2 LYS 39 lone 1 48 - 2 - HD2 LYS 73 - HB2 LYS 39 lone 1 44 - 2 - HG12 ILE 71 - HB3 LYS 39 lone 1 99 - 1 - HD2 LYS 16 - HB2 LYS 123 lone 1 25 - 4 - HD3 LYS 73 - HB2 LYS 39 lone 1 41 - 2 - HD3 LYS 16 - HB2 LYS 65 lone 1 35 - 3 - HD3 LYS 16 - HB3 LYS 65 lone 1 31 - 3 - HG12 ILE 71 - HB3 LYS 115 lone 1 52 - 2 - HD2 LYS 16 - HB2 LYS 65 lone 1 30 - 3 - HD3 LYS 96 - HB2 LYS 123 lone 1 21 - 4 - HD2 LYS 16 - HB3 LYS 65 lone 1 27 - 3 - HD2 LYS 96 - HB2 LYS 123 lone 1 18 - 4 - HG12 ILE 71 - HB2 LYS 39 lone 1 60 - 1 - HD2 LYS 17 - HB3 LYS 115 lone 1 29 - 2 - HG LEU 74 - HB3 LYS 39 lone 1 99 - 1 - HD2 LYS 17 - HB3 LYS 39 lone 0 65 - 1 - HG3 LYS 39 - HB2 LYS 65 lone 0 42 - 1 - HD3 LYS 39 - HB3 LYS 115 lone 0 51 - 1 - HG3 LYS 39 - HB3 LYS 115 lone 0 55 - 1 - HD2 LYS 39 - HB3 LYS 115 lone 0 50 - 1 - HB ILE 54 - HB3 LYS 39 lone 0 70 - 1 - HG LEU 74 - HB2 LYS 123 lone 0 34 - 1 - HG3 LYS 39 - HB3 LYS 65 lone 0 38 - 1 - HD3 LYS 39 - HB2 LYS 65 lone 0 39 - 1 - HD2 LYS 39 - HB2 LYS 65 lone 0 38 - 1 - HB3 LYS 106 - HB3 LYS 39 lone 0 73 - 0 - HD2 LYS 20 - HB3 LYS 115 lone 0 44 - 1 - HD3 LYS 39 - HB3 LYS 65 lone 0 36 - 1 - HB ILE 54 - HB2 LYS 65 lone 0 24 - 2 - HD2 LYS 17 - HB2 LYS 123 lone 0 18 - 2 - HD3 LYS 96 - HB3 LYS 115 lone 0 33 - 1 - HD2 LYS 39 - HB3 LYS 65 lone 0 35 - 1 - HD3 LYS 20 - HB3 LYS 115 lone 0 42 - 1 - HD2 LYS 44 - HB3 LYS 115 lone 0 54 - 1 - HG LEU 74 - HB3 LYS 115 lone 0 52 - 1 - HD3 LYS 44 - HB3 LYS 115 lone 0 53 - 1 - HD2 LYS 44 - HB2 LYS 65 lone 0 42 - 1 - HB2 LYS 106 - HB3 LYS 39 lone 0 65 - 0 - HD3 LYS 44 - HB2 LYS 65 lone 0 41 - 1 - HB ILE 56 - HB3 LYS 39 lone 0 92 - 0 - HB ILE 54 - HB3 LYS 65 lone 0 21 - 2 - HD2 LYS 96 - HB3 LYS 115 lone 0 29 - 1 - HG LEU 74 - HB2 LYS 39 lone 0 60 - 0 - HD2 LYS 44 - HB3 LYS 65 lone 0 38 - 1 - HD2 LYS 40 - HB2 LYS 123 lone 0 20 - 2 - HD3 LYS 44 - HB3 LYS 65 lone 0 37 - 1 - HD2 LYS 20 - HB2 LYS 123 lone 0 28 - 1 - HD2 LYS 40 - HB3 LYS 115 lone 0 31 - 1 - HD3 LYS 40 - HB2 LYS 123 lone 0 18 - 2 - HD2 LYS 73 - HB3 LYS 115 lone 0 38 - 1 - HD3 LYS 20 - HB2 LYS 123 lone 0 27 - 1 - HD3 LYS 40 - HB3 LYS 115 lone 0 29 - 1 - HD3 LYS 96 - HB2 LYS 65 lone 0 25 - 1 - HD3 LYS 43 - HB2 LYS 123 lone 0 23 - 1 - HD3 LYS 73 - HB3 LYS 115 lone 0 36 - 1 - HD3 LYS 96 - HB3 LYS 65 lone 0 23 - 1 - HD2 LYS 17 - HB2 LYS 65 lone 0 22 - 1 - HB ILE 54 - HB2 LYS 39 lone 0 36 - 1 - HD2 LYS 96 - HB2 LYS 65 lone 0 22 - 1 - HD2 LYS 73 - HB2 LYS 123 lone 0 24 - 1 - HD3 LYS 43 - HB3 LYS 115 lone 0 36 - 1 - HD2 LYS 20 - HB2 LYS 65 lone 0 33 - 1 - HB3 LYS 106 - HB2 LYS 39 lone 0 39 - 0 - HD2 LYS 17 - HB3 LYS 65 lone 0 20 - 1 - HD3 LYS 73 - HB2 LYS 123 lone 0 23 - 1 - HD2 LYS 96 - HB3 LYS 65 lone 0 20 - 1 - HB ILE 56 - HB3 LYS 115 lone 0 45 - 0 - HD2 LYS 40 - HB2 LYS 65 lone 0 24 - 1 - HB ILE 56 - HB2 LYS 39 lone 0 52 - 0 - HD3 LYS 20 - HB2 LYS 65 lone 0 32 - 1 - HD2 LYS 73 - HB2 LYS 65 lone 0 29 - 1 - HD2 LYS 20 - HB3 LYS 65 lone 0 30 - 1 - HD3 LYS 40 - HB2 LYS 65 lone 0 22 - 1 - HD2 LYS 40 - HB3 LYS 65 lone 0 21 - 1 - HD3 LYS 20 - HB3 LYS 65 lone 0 29 - 1 - HD2 LYS 17 - HB2 LYS 39 lone 0 34 - 0 - HD3 LYS 73 - HB2 LYS 65 lone 0 27 - 1 - HB2 LYS 106 - HB2 LYS 39 lone 0 34 - 0 - HD2 LYS 73 - HB3 LYS 65 lone 0 26 - 1 - HD3 LYS 43 - HB2 LYS 65 lone 0 27 - 1 - HD3 LYS 40 - HB3 LYS 65 lone 0 20 - 1 - HB ILE 54 - HB3 LYS 115 lone 0 31 - 0 - HG LEU 74 - HB2 LYS 65 lone 0 40 - 0 - HD3 LYS 73 - HB3 LYS 65 lone 0 24 - 1 - HB ILE 56 - HB2 LYS 65 lone 0 35 - 0 - HD3 LYS 43 - HB3 LYS 65 lone 0 24 - 1 - HG LEU 74 - HB3 LYS 65 lone 0 36 - 0 - HB ILE 56 - HB3 LYS 65 lone 0 31 - 0 - HB ILE 54 - HB2 LYS 123 lone 0 20 - 1 - HB ILE 56 - HB2 LYS 123 lone 0 29 - 0 - HB3 LYS 106 - HB3 LYS 115 lone 0 33 - 0 - HB3 LYS 106 - HB2 LYS 123 lone 0 21 - 0 - HB2 LYS 106 - HB3 LYS 115 lone 0 29 - 0 - HB2 LYS 106 - HB2 LYS 123 lone 0 18 - 0 - HB3 LYS 106 - HB2 LYS 65 lone 0 25 - 0 - HB3 LYS 106 - HB3 LYS 65 lone 0 23 - 0 - HB2 LYS 106 - HB2 LYS 65 lone 0 22 - 0 - HB2 LYS 106 - HB3 LYS 65 lone 0 20 - 0 - Peak 3584 from cnoeabs.peaks (1.71, 1.95, 32.05 ppm; 2.74 A): 6 out of 90 assignments used, quality = 1.00: HG3 LYS 39 + HB3 LYS 39 OK 88 97 - 91 - 2.9=85, 3598/4.0=6...(21) * HD2 LYS 39 + HB3 LYS 39 OK 77 100 - 77 - 3.5=47, 3610/1.8=6...(27) HD3 LYS 39 + HB3 LYS 39 OK 77 100 - 77 - 3.5=47, 3610/1.8=6...(27) HG3 LYS 39 + HB2 LYS 39 OK 52 58 - 91 - 2.9=85, 3598/4.0=6...(20) HD2 LYS 39 + HB2 LYS 39 OK 48 63 - 76 - 3.5=47, 3611/1.8=6...(26) HD3 LYS 39 + HB2 LYS 39 OK 48 63 - 76 - 3.5=47, 3611/1.8=6...(26) HG3 LYS 123 - HB2 LYS 123 OK 30 33 - 93 - 2.9=81, 7114/3.8=12...(29) HD3 LYS 44 - HB3 LYS 39 OK 13 100 - 13 - 3621=1, 3619/3.0=1 HD2 LYS 44 - HB3 LYS 39 OK 12 99 - 13 - 3621=1, 3619/3.0=1 HG3 LYS 123 - HB3 LYS 39 lone 8 97 - 9 - 2.9/7129=1, 2.9/7119=1 HD3 LYS 44 - HB2 LYS 39 poor 7 62 - 12 - 3619/3.0=1 HD2 LYS 44 - HB2 LYS 39 poor 7 60 - 12 - 3619/3.0=1 HG3 LYS 123 - HB2 LYS 39 lone 5 58 - 8 - 2.9/7129=1, 2.9/7119=1 HG3 LYS 123 - HB3 LYS 115 lone 4 50 - 8 - 2.9/7129=1 HG3 LYS 123 - HB2 LYS 65 poor 4 38 - 10 - 2.9/7129=1, 2.9/7119=1 HD3 LYS 44 - HB2 LYS 123 poor 4 35 - 11 - HD2 LYS 44 - HB2 LYS 123 poor 4 34 - 11 - HG3 LYS 123 - HB3 LYS 65 lone 3 35 - 9 - 2.9/7129=1, 2.9/7119=1 HD3 LYS 16 - HB3 LYS 39 lone 3 70 - 4 - HD3 LYS 39 - HB2 LYS 123 lone 2 36 - 7 - HD2 LYS 39 - HB2 LYS 123 lone 2 36 - 7 - HG3 LYS 39 - HB2 LYS 123 lone 2 33 - 7 - 7114/3.8=1, 7122/3.8=1 HG12 ILE 71 - HB2 LYS 65 lone 2 32 - 6 - HG12 ILE 71 - HB2 LYS 123 lone 2 27 - 7 - ~10612=2, 4.6/436=1, ~9778=1 HG12 ILE 71 - HB3 LYS 65 lone 2 29 - 6 - HD2 LYS 20 - HB3 LYS 39 lone 1 65 - 2 - HD3 LYS 16 - HB2 LYS 39 lone 1 36 - 4 - HD3 LYS 20 - HB3 LYS 39 lone 1 61 - 2 - HB3 LEU 90 - HB3 LYS 39 lone 1 70 - 2 - HD3 LYS 16 - HB3 LYS 115 lone 1 31 - 3 - HG12 ILE 71 - HB3 LYS 39 lone 1 87 - 1 - HD3 LYS 16 - HB2 LYS 123 lone 1 20 - 4 - HD2 LYS 20 - HB2 LYS 39 lone 1 34 - 2 - HD3 LYS 20 - HB2 LYS 39 lone 1 31 - 2 - HG12 ILE 71 - HB3 LYS 115 lone 1 42 - 2 - HD3 LYS 16 - HB2 LYS 65 lone 1 24 - 3 - HG LEU 74 - HB3 LYS 39 lone 1 100 - 1 - HB3 LEU 90 - HB2 LYS 65 lone 1 24 - 2 - ~10981=1 HD3 LYS 16 - HB3 LYS 65 lone 1 21 - 3 - HB3 LEU 90 - HB2 LYS 39 lone 1 36 - 1 - HB3 LEU 90 - HB3 LYS 65 lone 1 21 - 2 - ~10981=1 HD2 LYS 39 - HB3 LYS 115 lone 0 55 - 1 - HD3 LYS 39 - HB3 LYS 115 lone 0 55 - 1 - HB3 LYS 106 - HB3 LYS 39 lone 0 94 - 0 - HG12 ILE 71 - HB2 LYS 39 lone 0 48 - 1 - HB2 LYS 106 - HB3 LYS 39 lone 0 90 - 0 - HG LEU 74 - HB2 LYS 123 lone 0 36 - 1 - HD2 LYS 39 - HB2 LYS 65 lone 0 42 - 1 - HD3 LYS 39 - HB2 LYS 65 lone 0 42 - 1 - HG3 LYS 39 - HB2 LYS 65 lone 0 38 - 1 - HG3 LYS 39 - HB3 LYS 115 lone 0 50 - 1 - HD2 LYS 39 - HB3 LYS 65 lone 0 38 - 1 - HD3 LYS 39 - HB3 LYS 65 lone 0 38 - 1 - HG3 LYS 39 - HB3 LYS 65 lone 0 35 - 1 - HG LEU 74 - HB3 LYS 115 lone 0 54 - 1 - HD3 LYS 44 - HB3 LYS 115 lone 0 54 - 1 - HD3 LYS 44 - HB2 LYS 65 lone 0 42 - 1 - HG LEU 74 - HB2 LYS 39 lone 0 62 - 0 - HD2 LYS 44 - HB3 LYS 115 lone 0 52 - 1 - HD2 LYS 44 - HB2 LYS 65 lone 0 40 - 1 - HD3 LYS 44 - HB3 LYS 65 lone 0 38 - 1 - HD2 LYS 44 - HB3 LYS 65 lone 0 36 - 1 - HB3 LYS 106 - HB2 LYS 39 lone 0 54 - 0 - HB2 LYS 106 - HB2 LYS 39 lone 0 50 - 0 - HB ILE 56 - HB3 LYS 39 lone 0 70 - 0 - HD2 LYS 20 - HB3 LYS 115 lone 0 29 - 1 - HD3 LYS 20 - HB3 LYS 115 lone 0 27 - 1 - HD2 LYS 20 - HB2 LYS 123 lone 0 18 - 1 - HD3 LYS 20 - HB2 LYS 123 lone 0 17 - 1 - HG LEU 74 - HB2 LYS 65 lone 0 42 - 0 - HB3 LYS 106 - HB3 LYS 115 lone 0 47 - 0 - HG LEU 74 - HB3 LYS 65 lone 0 38 - 0 - HB3 LYS 106 - HB2 LYS 123 lone 0 30 - 0 - HB3 LEU 90 - HB2 LYS 123 lone 0 20 - 1 - HB2 LYS 106 - HB3 LYS 115 lone 0 44 - 0 - HB ILE 56 - HB2 LYS 39 lone 0 36 - 0 - HB ILE 56 - HB3 LYS 115 lone 0 31 - 0 - HB2 LYS 106 - HB2 LYS 123 lone 0 28 - 0 - HD2 LYS 20 - HB2 LYS 65 lone 0 22 - 1 - HD3 LYS 20 - HB2 LYS 65 lone 0 20 - 1 - HD2 LYS 20 - HB3 LYS 65 lone 0 20 - 1 - HB3 LYS 106 - HB2 LYS 65 lone 0 36 - 0 - HD3 LYS 20 - HB3 LYS 65 lone 0 18 - 1 - HB ILE 56 - HB2 LYS 65 lone 0 24 - 0 - HB2 LYS 106 - HB2 LYS 65 lone 0 33 - 0 - HB3 LYS 106 - HB3 LYS 65 lone 0 33 - 0 - HB3 LEU 90 - HB3 LYS 115 lone 0 31 - 0 - HB ILE 56 - HB3 LYS 65 lone 0 21 - 0 - HB2 LYS 106 - HB3 LYS 65 lone 0 30 - 0 - HB ILE 56 - HB2 LYS 123 lone 0 20 - 0 - Peak 3585 from cnoeabs.peaks (1.70, 1.95, 32.05 ppm; 2.74 A): 6 out of 96 assignments used, quality = 1.00: HG3 LYS 39 + HB3 LYS 39 OK 89 98 - 91 - 2.9=85, 3598/4.0=6...(21) HD2 LYS 39 + HB3 LYS 39 OK 77 100 - 77 - 3.5=47, 3610/1.8=6...(27) * HD3 LYS 39 + HB3 LYS 39 OK 77 100 - 77 - 3.5=47, 3610/1.8=6...(27) HG3 LYS 39 + HB2 LYS 39 OK 53 59 - 91 - 2.9=85, 3598/4.0=6...(20) HD3 LYS 39 + HB2 LYS 39 OK 48 63 - 76 - 3.5=47, 3611/1.8=6...(26) HD2 LYS 39 + HB2 LYS 39 OK 48 63 - 76 - 3.5=47, 3611/1.8=6...(26) HG3 LYS 123 - HB2 LYS 123 OK 31 33 - 93 - 2.9=81, 7114/3.8=12...(29) HD3 LYS 44 - HB3 LYS 39 OK 13 100 - 13 - 3621=1, 3619/3.0=1 HD2 LYS 44 - HB3 LYS 39 OK 12 99 - 13 - 3621=1, 3619/3.0=1 HG3 LYS 123 - HB3 LYS 39 lone 9 98 - 9 - 2.9/7129=1, 2.9/7119=1 HD3 LYS 44 - HB2 LYS 39 poor 7 62 - 12 - 3619/3.0=1 HD2 LYS 44 - HB2 LYS 39 poor 7 61 - 12 - 3619/3.0=1 HG3 LYS 123 - HB2 LYS 39 lone 5 59 - 8 - 2.9/7129=1, 2.9/7119=1 HG3 LYS 123 - HB3 LYS 115 lone 4 51 - 8 - 2.9/7129=1 HG3 LYS 123 - HB2 LYS 65 poor 4 39 - 10 - 2.9/7129=1, 2.9/7119=1 HD3 LYS 44 - HB2 LYS 123 poor 4 36 - 11 - HD2 LYS 44 - HB2 LYS 123 poor 4 35 - 11 - HG3 LYS 123 - HB3 LYS 65 lone 3 36 - 9 - 2.9/7129=1, 2.9/7119=1 HD3 LYS 16 - HB3 LYS 39 lone 3 73 - 4 - HD2 LYS 16 - HB3 LYS 39 lone 3 61 - 4 - HD3 LYS 39 - HB2 LYS 123 lone 2 36 - 7 - HD2 LYS 39 - HB2 LYS 123 lone 2 36 - 7 - HG3 LYS 39 - HB2 LYS 123 lone 2 33 - 7 - 7114/3.8=1, 7122/3.8=1 HG12 ILE 71 - HB2 LYS 65 lone 2 33 - 6 - 11370/3.0=1 HG12 ILE 71 - HB2 LYS 123 lone 2 28 - 7 - ~10612=2, 4.6/436=1, ~9778=1 HG12 ILE 71 - HB3 LYS 65 lone 2 30 - 6 - 11370/3.0=1 HD3 LYS 16 - HB2 LYS 39 lone 2 39 - 4 - HD2 LYS 20 - HB3 LYS 39 lone 2 70 - 2 - HD3 LYS 20 - HB3 LYS 39 lone 1 65 - 2 - HD2 LYS 16 - HB2 LYS 39 lone 1 31 - 4 - HB3 LEU 90 - HB3 LYS 39 lone 1 65 - 2 - HD3 LYS 16 - HB3 LYS 115 lone 1 33 - 3 - HG12 ILE 71 - HB3 LYS 39 lone 1 90 - 1 - HD2 LYS 16 - HB3 LYS 115 lone 1 27 - 3 - HD3 LYS 16 - HB2 LYS 123 lone 1 21 - 4 - HD2 LYS 20 - HB2 LYS 39 lone 1 36 - 2 - HD3 LYS 20 - HB2 LYS 39 lone 1 34 - 2 - HD3 LYS 16 - HB2 LYS 65 lone 1 25 - 3 - HG12 ILE 71 - HB3 LYS 115 lone 1 44 - 2 - HD2 LYS 16 - HB2 LYS 123 lone 1 17 - 4 - HD3 LYS 16 - HB3 LYS 65 lone 1 23 - 3 - HG LEU 74 - HB3 LYS 39 lone 1 100 - 1 - HD2 LYS 16 - HB2 LYS 65 lone 1 20 - 3 - HB3 LEU 90 - HB2 LYS 65 lone 1 22 - 2 - ~10981=1 HD3 LYS 39 - HB3 LYS 115 lone 0 55 - 1 - HD2 LYS 39 - HB3 LYS 115 lone 0 55 - 1 - HG12 ILE 71 - HB2 LYS 39 lone 0 50 - 1 - HB3 LYS 106 - HB3 LYS 39 lone 0 92 - 0 - HB3 LEU 90 - HB2 LYS 39 lone 0 34 - 1 - HD2 LYS 16 - HB3 LYS 65 lone 0 18 - 3 - HG LEU 74 - HB2 LYS 123 lone 0 36 - 1 - HB3 LEU 90 - HB3 LYS 65 lone 0 20 - 2 - ~10981=1 HB2 LYS 106 - HB3 LYS 39 lone 0 87 - 0 - HD3 LYS 39 - HB2 LYS 65 lone 0 42 - 1 - HG3 LYS 39 - HB2 LYS 65 lone 0 39 - 1 - HD2 LYS 39 - HB2 LYS 65 lone 0 42 - 1 - HG3 LYS 39 - HB3 LYS 115 lone 0 51 - 1 - HD3 LYS 39 - HB3 LYS 65 lone 0 38 - 1 - HD2 LYS 39 - HB3 LYS 65 lone 0 38 - 1 - HG3 LYS 39 - HB3 LYS 65 lone 0 36 - 1 - HG LEU 74 - HB3 LYS 115 lone 0 55 - 1 - HD3 LYS 44 - HB3 LYS 115 lone 0 54 - 1 - HD3 LYS 44 - HB2 LYS 65 lone 0 42 - 1 - HD2 LYS 44 - HB3 LYS 115 lone 0 53 - 1 - HG LEU 74 - HB2 LYS 39 lone 0 63 - 0 - HD2 LYS 44 - HB2 LYS 65 lone 0 41 - 1 - HD3 LYS 44 - HB3 LYS 65 lone 0 38 - 1 - HD2 LYS 44 - HB3 LYS 65 lone 0 37 - 1 - HB3 LYS 106 - HB2 LYS 39 lone 0 52 - 0 - HB ILE 56 - HB3 LYS 39 lone 0 73 - 0 - HD2 LYS 20 - HB3 LYS 115 lone 0 31 - 1 - HB2 LYS 106 - HB2 LYS 39 lone 0 48 - 0 - HD3 LYS 20 - HB3 LYS 115 lone 0 29 - 1 - HD2 LYS 20 - HB2 LYS 123 lone 0 20 - 1 - HD3 LYS 20 - HB2 LYS 123 lone 0 18 - 1 - HG LEU 74 - HB2 LYS 65 lone 0 42 - 0 - HG LEU 74 - HB3 LYS 65 lone 0 38 - 0 - HB ILE 56 - HB2 LYS 39 lone 0 39 - 0 - HB ILE 56 - HB3 LYS 115 lone 0 33 - 0 - HB3 LYS 106 - HB3 LYS 115 lone 0 45 - 0 - HB3 LYS 106 - HB2 LYS 123 lone 0 29 - 0 - HD2 LYS 20 - HB2 LYS 65 lone 0 24 - 1 - HB2 LYS 106 - HB3 LYS 115 lone 0 42 - 0 - HD3 LYS 20 - HB2 LYS 65 lone 0 22 - 1 - HB3 LEU 90 - HB2 LYS 123 lone 0 18 - 1 - HD2 LYS 20 - HB3 LYS 65 lone 0 21 - 1 - HB2 LYS 106 - HB2 LYS 123 lone 0 27 - 0 - HD3 LYS 20 - HB3 LYS 65 lone 0 20 - 1 - HB ILE 56 - HB2 LYS 65 lone 0 25 - 0 - HB3 LYS 106 - HB2 LYS 65 lone 0 35 - 0 - HB ILE 56 - HB3 LYS 65 lone 0 23 - 0 - HB2 LYS 106 - HB2 LYS 65 lone 0 32 - 0 - HB3 LYS 106 - HB3 LYS 65 lone 0 31 - 0 - HB3 LEU 90 - HB3 LYS 115 lone 0 29 - 0 - HB ILE 56 - HB2 LYS 123 lone 0 21 - 0 - HB2 LYS 106 - HB3 LYS 65 lone 0 29 - 0 - Peak 3586 from cnoeabs.peaks (2.98, 1.95, 32.05 ppm; 3.90 A): 4 out of 84 assignments used, quality = 1.00: HE3 LYS 39 + HB3 LYS 39 OK 89 100 - 90 - 5.0=47, 3642/2.9=9...(47) * HE2 LYS 39 + HB3 LYS 39 OK 89 100 - 89 - 5.0=47, 3642/2.9=9...(47) HE2 LYS 39 + HB2 LYS 39 OK 56 63 - 89 - 5.0=47, 3642/2.9=9...(45) HE3 LYS 39 + HB2 LYS 39 OK 55 62 - 89 - 5.0=47, 3642/2.9=9...(45) HE2 LYS 40 - HB3 LYS 39 OK 19 90 - 21 - 7.5/7474=3, 6.4/3651=2...(4) HE3 LYS 40 - HB3 LYS 39 OK 17 84 - 20 - 7.5/7474=3, 6.4/3651=2...(4) HD3 ARG 118 - HB3 LYS 115 OK 16 49 - 33 - 10540/3.0=13, ~11598=12...(4) HE2 LYS 43 - HB3 LYS 39 OK 14 100 - 14 - 3567/3.0=1, ~3567=1, ~3566=1 HE3 LYS 43 - HB3 LYS 39 OK 14 99 - 14 - 3567/3.0=1, ~3567=1...(4) HE2 LYS 40 - HB2 LYS 39 OK 10 50 - 20 - 1257/4.3=3, 6.4/3651=1 HD3 ARG 118 - HB2 LYS 65 poor 10 37 - 26 - 10540/3.0=9, ~10539=7...(5) HE3 LYS 40 - HB2 LYS 39 poor 9 46 - 19 - 1257/4.3=3, 6.4/3651=1 HD3 ARG 118 - HB3 LYS 65 poor 9 34 - 26 - 10540/3.0=9, ~10539=7...(5) HE2 LYS 43 - HB2 LYS 39 poor 8 63 - 14 - 3567/3.0=1, ~3567=1, ~3566=1 HE3 LYS 43 - HB2 LYS 39 poor 8 61 - 13 - 3567/3.0=1, ~3567=1...(4) HE2 LYS 73 - HB3 LYS 39 lone 8 100 - 7 - HE3 LYS 73 - HB3 LYS 39 lone 7 100 - 7 - HE2 LYS 73 - HB2 LYS 39 lone 4 62 - 7 - HE3 LYS 73 - HB2 LYS 39 lone 4 62 - 7 - HE2 LYS 20 - HB3 LYS 39 lone 4 77 - 5 - HE3 LYS 20 - HB3 LYS 39 lone 4 77 - 5 - HE3 LYS 20 - HB2 LYS 39 lone 2 41 - 5 - HE2 LYS 20 - HB2 LYS 39 lone 2 41 - 5 - HE2 LYS 39 - HB2 LYS 123 lone 2 36 - 6 - HE3 LYS 39 - HB2 LYS 123 lone 2 36 - 6 - HE3 LYS 39 - HB3 LYS 115 lone 1 54 - 2 - HE2 LYS 39 - HB3 LYS 115 lone 1 55 - 2 - HB3 ASN 24 - HB3 LYS 115 lone 1 42 - 2 - HB2 ASN 24 - HB3 LYS 115 lone 1 42 - 2 - HE2 LYS 40 - HB3 LYS 115 lone 1 44 - 2 - HE2 LYS 43 - HB3 LYS 115 lone 1 55 - 1 - HE2 LYS 39 - HB2 LYS 65 lone 1 42 - 2 - HE3 LYS 39 - HB2 LYS 65 lone 1 42 - 2 - HE3 LYS 40 - HB3 LYS 115 lone 1 40 - 2 - HE3 LYS 43 - HB3 LYS 115 lone 1 53 - 1 - HE2 LYS 73 - HB3 LYS 115 lone 1 54 - 1 - HE3 LYS 20 - HB3 LYS 115 lone 1 36 - 2 - HE2 LYS 20 - HB3 LYS 115 lone 1 36 - 2 - HE2 LYS 39 - HB3 LYS 65 lone 1 38 - 2 - HE3 LYS 39 - HB3 LYS 65 lone 1 38 - 2 - HB2 ASN 24 - HB3 LYS 39 lone 1 87 - 1 - HB3 ASN 24 - HB3 LYS 39 lone 1 87 - 1 - HD3 ARG 118 - HB3 LYS 39 lone 1 96 - 1 - HE3 LYS 73 - HB3 LYS 115 lone 1 54 - 1 - HB3 PHE 51 - HB3 LYS 39 lone 1 87 - 1 - HE2 LYS 40 - HB2 LYS 123 lone 1 28 - 2 - HE2 LYS 43 - HB2 LYS 123 lone 0 36 - 1 - HE2 LYS 40 - HB2 LYS 65 lone 0 33 - 1 - HE3 LYS 40 - HB2 LYS 123 lone 0 25 - 2 - HE3 LYS 43 - HB2 LYS 123 lone 0 35 - 1 - HE3 LYS 73 - HB2 LYS 65 lone 0 42 - 1 - HE2 LYS 43 - HB2 LYS 65 lone 0 42 - 1 - HE2 LYS 73 - HB2 LYS 65 lone 0 42 - 1 - HE3 LYS 43 - HB2 LYS 65 lone 0 41 - 1 - HE2 LYS 40 - HB3 LYS 65 lone 0 30 - 1 - HE3 LYS 40 - HB2 LYS 65 lone 0 30 - 1 - HE3 LYS 73 - HB3 LYS 65 lone 0 38 - 1 - HE2 LYS 43 - HB3 LYS 65 lone 0 38 - 1 - HE2 LYS 73 - HB3 LYS 65 lone 0 38 - 1 - HE3 LYS 43 - HB3 LYS 65 lone 0 37 - 1 - HD3 ARG 118 - HB2 LYS 39 lone 0 56 - 1 - HE2 LYS 73 - HB2 LYS 123 lone 0 35 - 1 - HE3 LYS 40 - HB3 LYS 65 lone 0 27 - 1 - HE3 LYS 73 - HB2 LYS 123 lone 0 36 - 1 - HB2 ASN 24 - HB2 LYS 39 lone 0 48 - 1 - HB3 ASN 24 - HB2 LYS 39 lone 0 48 - 1 - HB3 PHE 51 - HB2 LYS 39 lone 0 48 - 1 - HE2 LYS 20 - HB2 LYS 65 lone 0 27 - 1 - HE3 LYS 20 - HB2 LYS 65 lone 0 27 - 1 - HB3 PHE 51 - HB3 LYS 115 lone 0 42 - 1 - HE3 LYS 20 - HB3 LYS 65 lone 0 24 - 1 - HE2 LYS 20 - HB3 LYS 65 lone 0 24 - 1 - HE3 LYS 20 - HB2 LYS 123 lone 0 23 - 1 - HE2 LYS 20 - HB2 LYS 123 lone 0 23 - 1 - HB3 PHE 51 - HB2 LYS 65 lone 0 32 - 1 - HB3 PHE 51 - HB3 LYS 65 lone 0 29 - 1 - HD3 ARG 118 - HB2 LYS 123 lone 0 32 - 1 - HB3 ASN 24 - HB2 LYS 65 lone 0 32 - 1 - HB2 ASN 24 - HB2 LYS 65 lone 0 32 - 1 - HB2 ASN 24 - HB3 LYS 65 lone 0 29 - 1 - HB3 ASN 24 - HB3 LYS 65 lone 0 29 - 1 - HB3 PHE 51 - HB2 LYS 123 lone 0 27 - 1 - HB2 ASN 24 - HB2 LYS 123 lone 0 27 - 0 - HB3 ASN 24 - HB2 LYS 123 lone 0 27 - 0 - Peak 3587 from cnoeabs.peaks (2.98, 1.95, 32.05 ppm; 3.90 A): 4 out of 84 assignments used, quality = 1.00: * HE3 LYS 39 + HB3 LYS 39 OK 90 100 - 90 - 5.0=47, 3642/2.9=9...(47) HE2 LYS 39 + HB3 LYS 39 OK 89 100 - 89 - 5.0=47, 3642/2.9=9...(47) HE3 LYS 39 + HB2 LYS 39 OK 56 63 - 89 - 5.0=47, 3642/2.9=9...(45) HE2 LYS 39 + HB2 LYS 39 OK 55 62 - 89 - 5.0=47, 3642/2.9=9...(45) HE2 LYS 40 - HB3 LYS 39 OK 18 84 - 21 - 7.5/7474=3, 6.4/3651=2...(4) HE3 LYS 40 - HB3 LYS 39 OK 15 77 - 20 - 7.5/7474=3, 6.4/3651=2...(4) HD3 ARG 118 - HB3 LYS 115 OK 15 45 - 33 - 10540/3.0=12, ~11598=12...(4) HE2 LYS 43 - HB3 LYS 39 OK 14 100 - 14 - 3567/3.0=1, ~3567=1, ~3566=1 HE3 LYS 43 - HB3 LYS 39 OK 13 98 - 14 - 3567/3.0=1, ~3567=1, ~3566=1 HE2 LYS 40 - HB2 LYS 39 poor 9 46 - 20 - 1257/4.3=3, 6.4/3651=1 HD3 ARG 118 - HB2 LYS 65 poor 9 35 - 25 - 10540/3.0=8, ~10539=7...(5) HE2 LYS 43 - HB2 LYS 39 poor 8 63 - 13 - 3567/3.0=1, ~3567=1, ~3566=1 HE3 LYS 40 - HB2 LYS 39 poor 8 41 - 19 - 1257/4.3=2, 6.4/3651=1 HD3 ARG 118 - HB3 LYS 65 poor 8 31 - 25 - 10540/3.0=8, ~10539=7...(5) HE3 LYS 43 - HB2 LYS 39 poor 8 59 - 13 - 3567/3.0=1, ~3567=1, ~3566=1 HE2 LYS 73 - HB3 LYS 39 lone 8 100 - 7 - HE3 LYS 73 - HB3 LYS 39 lone 7 99 - 7 - HE2 LYS 73 - HB2 LYS 39 lone 5 63 - 7 - HE3 LYS 73 - HB2 LYS 39 lone 4 61 - 7 - HE3 LYS 20 - HB3 LYS 39 lone 4 70 - 5 - HE2 LYS 20 - HB3 LYS 39 lone 4 70 - 5 - HE3 LYS 39 - HB2 LYS 123 lone 2 36 - 6 - HE2 LYS 39 - HB2 LYS 123 lone 2 36 - 6 - HE3 LYS 20 - HB2 LYS 39 lone 2 36 - 5 - HE2 LYS 20 - HB2 LYS 39 lone 2 36 - 5 - HE3 LYS 39 - HB3 LYS 115 lone 1 55 - 2 - HE2 LYS 39 - HB3 LYS 115 lone 1 54 - 2 - HE3 LYS 39 - HB2 LYS 65 lone 1 42 - 2 - HE2 LYS 40 - HB3 LYS 115 lone 1 40 - 2 - HE2 LYS 43 - HB3 LYS 115 lone 1 55 - 1 - HE2 LYS 39 - HB2 LYS 65 lone 1 42 - 2 - HB2 ASN 24 - HB3 LYS 115 lone 1 38 - 2 - HB3 ASN 24 - HB3 LYS 115 lone 1 38 - 2 - HE2 LYS 73 - HB3 LYS 115 lone 1 55 - 1 - HE3 LYS 39 - HB3 LYS 65 lone 1 38 - 2 - HE3 LYS 43 - HB3 LYS 115 lone 1 51 - 1 - HE2 LYS 39 - HB3 LYS 65 lone 1 38 - 2 - HD3 ARG 118 - HB3 LYS 39 lone 1 92 - 1 - HE3 LYS 40 - HB3 LYS 115 lone 1 36 - 2 - HB2 ASN 24 - HB3 LYS 39 lone 1 81 - 1 - HB3 ASN 24 - HB3 LYS 39 lone 1 81 - 1 - HE3 LYS 73 - HB3 LYS 115 lone 1 53 - 1 - HE2 LYS 20 - HB3 LYS 115 lone 1 31 - 2 - HE3 LYS 20 - HB3 LYS 115 lone 1 31 - 2 - HB3 PHE 51 - HB3 LYS 39 lone 1 81 - 1 - HE2 LYS 40 - HB2 LYS 123 lone 1 25 - 2 - HE2 LYS 43 - HB2 LYS 123 lone 0 36 - 1 - HE2 LYS 73 - HB2 LYS 65 lone 0 42 - 1 - HE2 LYS 43 - HB2 LYS 65 lone 0 42 - 1 - HE3 LYS 43 - HB2 LYS 123 lone 0 33 - 1 - HE3 LYS 73 - HB2 LYS 65 lone 0 41 - 1 - HE2 LYS 40 - HB2 LYS 65 lone 0 30 - 1 - HE3 LYS 43 - HB2 LYS 65 lone 0 39 - 1 - HE3 LYS 40 - HB2 LYS 123 lone 0 23 - 2 - HE2 LYS 73 - HB3 LYS 65 lone 0 38 - 1 - HE2 LYS 43 - HB3 LYS 65 lone 0 38 - 1 - HE3 LYS 73 - HB3 LYS 65 lone 0 37 - 1 - HE3 LYS 43 - HB3 LYS 65 lone 0 36 - 1 - HE2 LYS 40 - HB3 LYS 65 lone 0 27 - 1 - HE2 LYS 73 - HB2 LYS 123 lone 0 36 - 1 - HE3 LYS 40 - HB2 LYS 65 lone 0 27 - 1 - HE3 LYS 73 - HB2 LYS 123 lone 0 35 - 1 - HD3 ARG 118 - HB2 LYS 39 lone 0 52 - 1 - HE3 LYS 40 - HB3 LYS 65 lone 0 24 - 1 - HB3 ASN 24 - HB2 LYS 39 lone 0 44 - 1 - HB2 ASN 24 - HB2 LYS 39 lone 0 44 - 1 - HB3 PHE 51 - HB2 LYS 39 lone 0 44 - 1 - HB3 PHE 51 - HB3 LYS 115 lone 0 38 - 1 - HE3 LYS 20 - HB2 LYS 65 lone 0 24 - 1 - HE2 LYS 20 - HB2 LYS 65 lone 0 24 - 1 - HE3 LYS 20 - HB3 LYS 65 lone 0 21 - 1 - HE2 LYS 20 - HB3 LYS 65 lone 0 21 - 1 - HB3 PHE 51 - HB2 LYS 65 lone 0 29 - 1 - HE3 LYS 20 - HB2 LYS 123 lone 0 20 - 1 - HE2 LYS 20 - HB2 LYS 123 lone 0 20 - 1 - HD3 ARG 118 - HB2 LYS 123 lone 0 29 - 1 - HB3 PHE 51 - HB3 LYS 65 lone 0 26 - 1 - HB3 ASN 24 - HB2 LYS 65 lone 0 29 - 1 - HB2 ASN 24 - HB2 LYS 65 lone 0 29 - 1 - HB3 ASN 24 - HB3 LYS 65 lone 0 26 - 1 - HB2 ASN 24 - HB3 LYS 65 lone 0 26 - 1 - HB3 PHE 51 - HB2 LYS 123 lone 0 24 - 1 - HB3 ASN 24 - HB2 LYS 123 lone 0 24 - 0 - HB2 ASN 24 - HB2 LYS 123 lone 0 24 - 0 - Peak 3588 from cnoeabs.peaks (7.83, 1.46, 25.42 ppm; 4.27 A): 2 out of 5 assignments used, quality = 0.97: * H LYS 39 + HG2 LYS 39 OK 94 100 - 94 - 4.9=65, 3598/1.8=25...(21) H ILE 97 + HG2 LYS 39 OK 42 100 - 43 - 3598/1.8=10, 4.5/7475=7...(13) H VAL 78 - HG2 LYS 39 OK 11 100 - 11 - 3598/1.8=3, 3578/2.9=1 H TYR 27 - HG2 LYS 39 lone 3 73 - 3 - HE21 GLN 62 - HG2 LYS 39 lone 2 65 - 3 - 3598/1.8=1 Peak 3589 from cnoeabs.peaks (3.84, 1.46, 25.42 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 3.8=100 Peak 3590 from cnoeabs.peaks (1.93, 1.46, 25.42 ppm; 3.39 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 2.9=100 HB3 LYS 39 + HG2 LYS 39 OK 81 81 - 100 - 2.9=100 Peak 3591 from cnoeabs.peaks (1.95, 1.46, 25.42 ppm; 3.44 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 2.9=100 HB2 LYS 39 + HG2 LYS 39 OK 81 81 - 100 - 2.9=100 Peak 3592 from cnoeabs.peaks (1.46, 1.46, 25.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 39 + HG2 LYS 39 OK 100 100 - 100 Peak 3593 from cnoeabs.peaks (1.70, 1.46, 25.42 ppm; 2.62 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 1.8=100 Peak 3594 from cnoeabs.peaks (1.71, 1.46, 25.42 ppm; 2.62 A): 1 out of 1 assignment used, quality = 0.97: HG3 LYS 39 + HG2 LYS 39 OK 97 97 - 100 - 1.8=100 Reference assignment not found: HD2 LYS 39 - HG2 LYS 39 Peak 3595 from cnoeabs.peaks (1.70, 1.46, 25.42 ppm; 2.62 A): 1 out of 1 assignment used, quality = 0.98: HG3 LYS 39 + HG2 LYS 39 OK 98 98 - 100 - 1.8=100 Reference assignment not found: HD3 LYS 39 - HG2 LYS 39 Peak 3596 from cnoeabs.peaks (2.98, 1.46, 25.42 ppm; 4.04 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 3.6=100 HE3 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 3.6=100 Peak 3597 from cnoeabs.peaks (2.98, 1.46, 25.42 ppm; 4.04 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 3.6=100 HE2 LYS 39 + HG2 LYS 39 OK 100 100 - 100 - 3.6=100 Peak 3598 from cnoeabs.peaks (7.83, 1.70, 25.42 ppm; 3.98 A): 2 out of 10 assignments used, quality = 0.92: * H LYS 39 + HG3 LYS 39 OK 88 100 - 88 - 4.9=53, 3588/1.8=21...(19) H ILE 97 + HG3 LYS 39 OK 36 100 - 36 - 3588/1.8=9, 4.5/7476=6...(11) H VAL 78 - HG3 LYS 39 lone 9 100 - 9 - 3588/1.8=3, 3578/2.9=1 H LYS 39 - HG3 LYS 123 lone 4 68 - 5 - HE21 GLN 62 - HG3 LYS 39 lone 4 65 - 5 - 5.7/10935=4 H ILE 97 - HG3 LYS 123 lone 3 68 - 4 - 4.5/7476=1 H TYR 27 - HG3 LYS 39 lone 3 73 - 3 - H VAL 78 - HG3 LYS 123 lone 1 68 - 1 - HE21 GLN 62 - HG3 LYS 123 lone 1 37 - 1 - H TYR 27 - HG3 LYS 123 lone 0 43 - 1 - Peak 3599 from cnoeabs.peaks (3.84, 1.70, 25.42 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 3.8=100 Peak 3600 from cnoeabs.peaks (1.93, 1.70, 25.42 ppm; 3.33 A): 3 out of 3 assignments used, quality = 1.00: * HB2 LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 2.9=100 HB3 LYS 39 + HG3 LYS 39 OK 81 81 - 100 - 2.9=100 HB2 LYS 123 + HG3 LYS 123 OK 68 68 - 100 - 2.9=100 Peak 3601 from cnoeabs.peaks (1.95, 1.70, 25.42 ppm; 3.38 A): 3 out of 3 assignments used, quality = 1.00: * HB3 LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 2.9=100 HB2 LYS 39 + HG3 LYS 39 OK 81 81 - 100 - 2.9=100 HB2 LYS 123 + HG3 LYS 123 OK 48 48 - 100 - 2.9=100 Peak 3602 from cnoeabs.peaks (1.46, 1.70, 25.42 ppm; 2.78 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 1.8=100 Peak 3603 from cnoeabs.peaks (1.70, 1.70, 25.42 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 39 + HG3 LYS 39 OK 100 100 - 100 HG3 LYS 123 + HG3 LYS 123 OK 68 68 - 100 Peak 3604 from cnoeabs.peaks (1.71, 1.70, 25.42 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: HG3 LYS 39 + HG3 LYS 39 OK 97 97 - 100 HG3 LYS 123 + HG3 LYS 123 OK 63 63 - 100 Reference assignment not found: HD2 LYS 39 - HG3 LYS 39 Peak 3605 from cnoeabs.peaks (1.70, 1.70, 25.42 ppm; diagonal): 2 out of 2 assignments used, quality = 0.99: HG3 LYS 39 + HG3 LYS 39 OK 98 98 - 100 HG3 LYS 123 + HG3 LYS 123 OK 64 64 - 100 Reference assignment not found: HD3 LYS 39 - HG3 LYS 39 Peak 3606 from cnoeabs.peaks (2.98, 1.70, 25.42 ppm; 4.02 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 3.6=100 HE3 LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 3.6=100 Peak 3607 from cnoeabs.peaks (2.98, 1.70, 25.42 ppm; 4.02 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 3.6=100 HE2 LYS 39 + HG3 LYS 39 OK 100 100 - 100 - 3.6=100 Peak 3608 from cnoeabs.peaks (7.83, 1.71, 29.31 ppm; 4.04 A): 2 out of 20 assignments used, quality = 0.97: * H LYS 39 + HD2 LYS 39 OK 82 100 - 82 - 6.2=28, 3598/3.0=18...(19) H LYS 39 + HD3 LYS 39 OK 82 100 - 82 - 6.2=28, 3598/3.0=18...(19) H ILE 97 - HD2 LYS 39 OK 34 100 - 34 - 3588/3.0=8, 3598/3.0=7...(12) H ILE 97 - HD3 LYS 39 OK 34 100 - 34 - 3588/3.0=8, 3598/3.0=7...(12) H LYS 39 - HD3 LYS 44 OK 22 86 - 26 - 7798/2.9=3, 3.0/3619=3...(13) H LYS 39 - HD2 LYS 44 OK 21 83 - 25 - 7798/2.9=3, 3.0/3619=3...(13) H ILE 97 - HD3 LYS 44 OK 20 86 - 23 - 7798/2.9=3, 3.6/3961=3...(11) H ILE 97 - HD2 LYS 44 OK 19 82 - 23 - 7798/2.9=3, 3.6/3961=3...(11) H VAL 78 - HD2 LYS 39 lone 8 100 - 8 - 3588/3.0=2, 3598/3.0=2 H VAL 78 - HD3 LYS 39 lone 8 100 - 8 - 3588/3.0=2, 3598/3.0=2 H VAL 78 - HD3 LYS 44 lone 2 86 - 3 - H VAL 78 - HD2 LYS 44 lone 2 83 - 3 - H TYR 27 - HD3 LYS 44 lone 2 57 - 4 - 11346/5.4=1 H TYR 27 - HD2 LYS 44 lone 2 54 - 4 - 11346/5.4=1 H TYR 27 - HD2 LYS 39 lone 2 73 - 2 - H TYR 27 - HD3 LYS 39 lone 2 73 - 2 - HE21 GLN 62 - HD2 LYS 39 lone 1 65 - 2 - HE21 GLN 62 - HD3 LYS 39 lone 1 65 - 2 - HE21 GLN 62 - HD3 LYS 44 lone 0 50 - 1 - HE21 GLN 62 - HD2 LYS 44 lone 0 47 - 1 - Peak 3609 from cnoeabs.peaks (3.84, 1.71, 29.31 ppm; 4.22 A): 2 out of 12 assignments used, quality = 1.00: * HA LYS 39 + HD2 LYS 39 OK 94 100 - 94 - 5.3=51, 3562/3.0=17...(44) HA LYS 39 + HD3 LYS 39 OK 94 100 - 94 - 5.3=51, 3562/3.0=17...(44) HA LYS 39 - HD3 LYS 44 OK 24 86 - 28 - 3564=3, 3564/1.8=3...(13) HA LYS 39 - HD2 LYS 44 OK 23 83 - 28 - 3564=3, 3564/1.8=3...(13) HA LYS 16 - HD3 LYS 44 lone 5 86 - 6 - HA LYS 16 - HD2 LYS 44 lone 5 82 - 5 - HA LYS 16 - HD3 LYS 39 lone 2 100 - 2 - HA LYS 16 - HD2 LYS 39 lone 2 100 - 2 - HA2 GLY 75 - HD2 LYS 39 lone 1 99 - 1 - HA2 GLY 75 - HD3 LYS 39 lone 1 99 - 1 - HA2 GLY 75 - HD3 LYS 44 lone 1 83 - 2 - HA2 GLY 75 - HD2 LYS 44 lone 1 80 - 2 - Peak 3610 from cnoeabs.peaks (1.93, 1.71, 29.31 ppm; 2.64 A): 4 out of 80 assignments used, quality = 0.99: * HB2 LYS 39 + HD2 LYS 39 OK 72 100 - 72 - 3.5=42, 2.9/3612=5...(27) HB2 LYS 39 + HD3 LYS 39 OK 72 100 - 72 - 3.5=42, 2.9/3612=5...(27) HB3 LYS 39 + HD2 LYS 39 OK 57 81 - 71 - 3.5=42, 2.9/3612=5...(28) HB3 LYS 39 + HD3 LYS 39 OK 57 80 - 71 - 3.5=42, 2.9/3612=5...(28) HB2 LYS 39 - HD3 LYS 44 poor 10 86 - 11 - 3.0/3619=1 HB2 LYS 39 - HD2 LYS 44 poor 9 83 - 11 - HB2 LYS 123 - HD3 LYS 44 lone 8 86 - 10 - HB2 LYS 123 - HD2 LYS 44 lone 8 83 - 10 - HB3 LYS 40 - HD2 LYS 39 lone 7 90 - 8 - 4.0/7477=2 HB3 LYS 40 - HD3 LYS 39 lone 7 89 - 8 - 4.0/7477=2 HB3 LYS 39 - HD3 LYS 44 poor 7 63 - 11 - 3.0/3619=1 HB3 LYS 39 - HD2 LYS 44 poor 7 60 - 11 - HB2 LYS 123 - HD3 LYS 39 lone 6 100 - 6 - HB2 LYS 123 - HD2 LYS 39 lone 6 100 - 6 - HB3 GLU 41 - HD3 LYS 44 lone 3 60 - 6 - ~9397=2, 3.0/10937=2 HB2 GLU 41 - HD3 LYS 44 lone 3 57 - 6 - ~9397=2, 3.0/10937=2 HB3 GLU 41 - HD2 LYS 44 lone 3 57 - 6 - ~9397=2, 3.0/10937=2 HB2 GLU 41 - HD2 LYS 44 lone 3 54 - 6 - ~9397=2, 3.0/10937=2 HB3 LYS 40 - HD3 LYS 44 lone 2 72 - 3 - HB3 LYS 40 - HD2 LYS 44 lone 2 68 - 2 - HB2 LEU 81 - HD2 LYS 39 lone 1 77 - 1 - HB2 LEU 81 - HD3 LYS 39 lone 1 77 - 1 - HB3 LYS 65 - HD3 LYS 39 lone 1 100 - 1 - HB3 LYS 65 - HD2 LYS 39 lone 1 100 - 1 - HB2 LYS 65 - HD3 LYS 39 lone 1 100 - 1 - HB2 LYS 65 - HD2 LYS 39 lone 1 100 - 1 - HB3 GLU 41 - HD2 LYS 39 lone 1 77 - 1 - HB3 GLU 41 - HD3 LYS 39 lone 1 77 - 1 - HB2 LYS 115 - HD2 LYS 39 lone 1 98 - 1 - HB2 LYS 115 - HD3 LYS 39 lone 1 98 - 1 - HB3 LYS 115 - HD3 LYS 39 lone 1 100 - 1 - HB3 LYS 115 - HD2 LYS 39 lone 1 100 - 1 - HB2 GLU 41 - HD2 LYS 39 lone 1 73 - 1 - HB2 GLU 41 - HD3 LYS 39 lone 1 73 - 1 - HB3 MET 42 - HD2 LYS 39 lone 1 73 - 1 - HB3 MET 42 - HD3 LYS 39 lone 1 73 - 1 - HB VAL 104 - HD2 LYS 39 lone 1 87 - 1 - HB VAL 104 - HD3 LYS 39 lone 1 87 - 1 - HB2 LYS 65 - HD3 LYS 44 lone 1 86 - 1 - HB3 LYS 65 - HD3 LYS 44 lone 1 86 - 1 - HB2 LYS 65 - HD2 LYS 44 lone 1 83 - 1 - HB3 LYS 65 - HD2 LYS 44 lone 1 83 - 1 - HB2 LEU 70 - HD3 LYS 44 lone 1 79 - 1 - HB2 LEU 70 - HD2 LYS 44 lone 1 75 - 1 - HB3 LYS 115 - HD3 LYS 44 lone 1 86 - 1 - HB3 LYS 115 - HD2 LYS 44 lone 0 83 - 1 - HB2 LYS 115 - HD3 LYS 44 lone 0 82 - 1 - HB2 LYS 115 - HD2 LYS 44 lone 0 78 - 1 - HB VAL 29 - HD2 LYS 39 lone 0 61 - 1 - HB VAL 29 - HD3 LYS 39 lone 0 61 - 1 - HB2 LEU 70 - HD3 LYS 39 lone 0 95 - 0 - HB2 LEU 70 - HD2 LYS 39 lone 0 96 - 0 - HB3 LYS 17 - HD2 LYS 39 lone 0 87 - 0 - HB3 LYS 17 - HD3 LYS 39 lone 0 87 - 0 - HB2 LEU 127 - HD2 LYS 39 lone 0 100 - 0 - HB2 LEU 127 - HD3 LYS 39 lone 0 100 - 0 - HB VAL 104 - HD3 LYS 44 lone 0 69 - 0 - HB VAL 104 - HD2 LYS 44 lone 0 66 - 0 - HB3 LYS 17 - HD3 LYS 44 lone 0 69 - 0 - HB3 LYS 17 - HD2 LYS 44 lone 0 66 - 0 - HB3 GLU 52 - HD2 LYS 39 lone 0 65 - 0 - HB3 GLU 52 - HD3 LYS 39 lone 0 65 - 0 - HG2 MET 121 - HD2 LYS 39 lone 0 70 - 0 - HG2 MET 121 - HD3 LYS 39 lone 0 69 - 0 - HB2 LEU 127 - HD3 LYS 44 lone 0 86 - 0 - HB ILE 15 - HD2 LYS 39 lone 0 61 - 0 - HB ILE 15 - HD3 LYS 39 lone 0 61 - 0 - HB2 LEU 127 - HD2 LYS 44 lone 0 83 - 0 - HB3 MET 42 - HD3 LYS 44 lone 0 57 - 0 - HB3 MET 42 - HD2 LYS 44 lone 0 54 - 0 - HB ILE 15 - HD3 LYS 44 lone 0 47 - 0 - HB2 LEU 81 - HD3 LYS 44 lone 0 60 - 0 - HB3 GLU 52 - HD3 LYS 44 lone 0 50 - 0 - HB ILE 15 - HD2 LYS 44 lone 0 44 - 0 - HB2 LEU 81 - HD2 LYS 44 lone 0 57 - 0 - HB3 GLU 52 - HD2 LYS 44 lone 0 47 - 0 - HG2 MET 121 - HD3 LYS 44 lone 0 53 - 0 - HG2 MET 121 - HD2 LYS 44 lone 0 51 - 0 - HB VAL 29 - HD3 LYS 44 lone 0 47 - 0 - HB VAL 29 - HD2 LYS 44 lone 0 44 - 0 - Peak 3611 from cnoeabs.peaks (1.95, 1.71, 29.31 ppm; 2.67 A): 4 out of 64 assignments used, quality = 0.99: * HB3 LYS 39 + HD2 LYS 39 OK 74 100 - 74 - 3.5=43, 2.9/3612=5...(30) HB3 LYS 39 + HD3 LYS 39 OK 74 100 - 74 - 3.5=43, 2.9/3612=5...(29) HB2 LYS 39 + HD2 LYS 39 OK 59 81 - 73 - 3.5=43, 2.9/3612=5...(28) HB2 LYS 39 + HD3 LYS 39 OK 58 80 - 73 - 3.5=43, 2.9/3612=5...(27) HB3 LYS 39 - HD3 LYS 44 OK 10 86 - 12 - 3584=1, 3.0/3619=1 HB3 LYS 39 - HD2 LYS 44 poor 10 83 - 12 - 3584=1, 3.0/3619=1 HB3 LYS 40 - HD2 LYS 39 lone 8 100 - 8 - 4.0/7477=2 HB3 LYS 40 - HD3 LYS 39 lone 8 100 - 8 - 4.0/7477=2 HB2 LYS 39 - HD3 LYS 44 poor 7 63 - 11 - 3.0/3619=1 HB2 LYS 39 - HD2 LYS 44 poor 7 60 - 11 - 3.0/3619=1 HB2 LYS 123 - HD3 LYS 44 lone 6 63 - 10 - HB2 LYS 123 - HD2 LYS 44 lone 6 60 - 10 - HB3 GLU 41 - HD3 LYS 44 lone 5 86 - 6 - ~9397=2, 3.0/10937=2 HB2 GLU 41 - HD3 LYS 44 lone 5 86 - 6 - ~9397=2, 3.0/10937=2 HB3 GLU 41 - HD2 LYS 44 lone 5 83 - 6 - ~9397=2, 3.0/10937=2, ~10937=1 HB2 GLU 41 - HD2 LYS 44 lone 5 82 - 6 - ~9397=2, 3.0/10937=2, ~10937=1 HB2 LYS 123 - HD3 LYS 39 lone 5 80 - 6 - HB2 LYS 123 - HD2 LYS 39 lone 5 81 - 6 - HB3 MET 42 - HD2 LYS 39 lone 3 100 - 3 - 8060/5.3=2 HB3 MET 42 - HD3 LYS 39 lone 3 100 - 3 - 8060/5.3=2 HB3 LYS 40 - HD3 LYS 44 lone 2 85 - 3 - HB3 LYS 40 - HD2 LYS 44 lone 2 82 - 3 - HB3 GLU 41 - HD2 LYS 39 lone 1 100 - 1 - HB3 GLU 41 - HD3 LYS 39 lone 1 100 - 1 - HB2 GLU 41 - HD2 LYS 39 lone 1 100 - 1 - HB2 GLU 41 - HD3 LYS 39 lone 1 100 - 1 - HB VAL 104 - HD2 LYS 39 lone 1 100 - 1 - HB VAL 104 - HD3 LYS 39 lone 1 100 - 1 - HB VAL 29 - HD2 LYS 39 lone 1 99 - 1 - HB VAL 29 - HD3 LYS 39 lone 1 99 - 1 - HB2 LYS 65 - HD2 LYS 39 lone 1 81 - 1 - HB2 LYS 65 - HD3 LYS 39 lone 1 80 - 1 - HB3 LYS 65 - HD2 LYS 39 lone 1 77 - 1 - HB3 LYS 65 - HD3 LYS 39 lone 1 77 - 1 - HB3 LYS 115 - HD2 LYS 39 lone 1 81 - 1 - HB3 LYS 115 - HD3 LYS 39 lone 1 80 - 1 - HB2 LEU 70 - HD3 LYS 44 lone 1 82 - 1 - HB2 LEU 70 - HD2 LYS 44 lone 1 78 - 1 - HB2 LEU 70 - HD3 LYS 39 lone 0 98 - 0 - HB2 LEU 70 - HD2 LYS 39 lone 0 98 - 0 - HB2 LYS 65 - HD3 LYS 44 lone 0 63 - 1 - HB VAL 104 - HD3 LYS 44 lone 0 86 - 0 - HB3 LYS 65 - HD3 LYS 44 lone 0 60 - 1 - HB2 LYS 65 - HD2 LYS 44 lone 0 60 - 1 - HB VAL 104 - HD2 LYS 44 lone 0 82 - 0 - HB3 LYS 65 - HD2 LYS 44 lone 0 57 - 1 - HB3 GLU 128 - HD3 LYS 44 lone 0 82 - 0 - HB3 MET 42 - HD3 LYS 44 lone 0 86 - 0 - HB3 GLU 128 - HD2 LYS 44 lone 0 78 - 0 - HB3 MET 42 - HD2 LYS 44 lone 0 82 - 0 - HB3 GLU 52 - HD2 LYS 39 lone 0 99 - 0 - HB3 GLU 52 - HD3 LYS 39 lone 0 99 - 0 - HB3 LYS 115 - HD3 LYS 44 lone 0 63 - 1 - HB3 LYS 115 - HD2 LYS 44 lone 0 60 - 1 - HB3 GLU 128 - HD2 LYS 39 lone 0 98 - 0 - HB3 GLU 128 - HD3 LYS 39 lone 0 98 - 0 - HB3 GLU 52 - HD3 LYS 44 lone 0 84 - 0 - HB3 GLU 52 - HD2 LYS 44 lone 0 81 - 0 - HB VAL 29 - HD3 LYS 44 lone 0 83 - 0 - HB2 LEU 127 - HD2 LYS 39 lone 0 77 - 0 - HB2 LEU 127 - HD3 LYS 39 lone 0 77 - 0 - HB VAL 29 - HD2 LYS 44 lone 0 80 - 0 - HB2 LEU 127 - HD3 LYS 44 lone 0 60 - 0 - HB2 LEU 127 - HD2 LYS 44 lone 0 57 - 0 - Peak 3612 from cnoeabs.peaks (1.46, 1.71, 29.31 ppm; 2.79 A): 2 out of 60 assignments used, quality = 0.99: * HG2 LYS 39 + HD2 LYS 39 OK 91 100 - 91 - 3.0=83, 3642/3.0=5...(21) HG2 LYS 39 + HD3 LYS 39 OK 91 100 - 91 - 3.0=83, 3642/3.0=5...(21) HG3 LYS 44 - HD3 LYS 44 OK 44 47 - 94 - 2.9=85, 1.8/3937=7...(30) HG3 LYS 44 - HD2 LYS 44 OK 41 44 - 94 - 2.9=85, 1.8/3937=7...(29) HG2 LYS 96 - HD3 LYS 44 OK 22 53 - 42 - 1.8/3964=3, 3947=3...(14) HG2 LYS 96 - HD2 LYS 44 OK 21 51 - 41 - 1.8/3964=3, 3947=3...(13) HB3 LEU 38 - HD2 LYS 39 lone 8 99 - 8 - ~11038=2, 3562/5.3=2, 4.6/3608=2 HB3 LEU 38 - HD3 LYS 39 lone 8 99 - 8 - ~11038=2, 3562/5.3=2, 4.6/3608=2 HG2 LYS 39 - HD3 LYS 44 lone 7 86 - 8 - HG2 LYS 39 - HD2 LYS 44 lone 7 83 - 8 - HG2 LYS 96 - HD2 LYS 39 lone 7 70 - 9 - HG2 LYS 96 - HD3 LYS 39 lone 6 69 - 9 - HG3 LYS 44 - HD2 LYS 39 lone 6 61 - 10 - HG3 LYS 44 - HD3 LYS 39 lone 6 61 - 10 - HG3 LYS 20 - HD2 LYS 39 lone 2 61 - 2 - HG3 LYS 20 - HD3 LYS 39 lone 1 61 - 2 - HG LEU 80 - HD2 LYS 39 lone 1 73 - 1 - ~11039=1 HG LEU 80 - HD3 LYS 39 lone 1 73 - 1 - ~11039=1 HB2 LEU 74 - HD2 LYS 39 lone 1 94 - 1 - HB2 LEU 74 - HD3 LYS 39 lone 1 94 - 1 - HB3 LEU 38 - HD3 LYS 44 lone 1 84 - 1 - HB2 LEU 74 - HD3 LYS 44 lone 1 76 - 1 - HG12 ILE 7 - HD2 LYS 39 lone 1 100 - 1 - HG12 ILE 7 - HD3 LYS 39 lone 1 100 - 1 - HB3 LEU 38 - HD2 LYS 44 lone 1 81 - 1 - HB2 LEU 74 - HD2 LYS 44 lone 1 73 - 1 - HG3 LYS 20 - HD3 LYS 44 lone 1 47 - 2 - HG2 LYS 106 - HD2 LYS 39 lone 1 100 - 1 - HG2 LYS 106 - HD3 LYS 39 lone 1 100 - 1 - HB3 LEU 6 - HD2 LYS 39 lone 1 100 - 1 - HB3 LEU 6 - HD3 LYS 39 lone 1 100 - 1 - HG3 LYS 20 - HD2 LYS 44 lone 1 44 - 2 - HG2 LYS 49 - HD3 LYS 39 lone 0 100 - 0 - HG3 LYS 49 - HD3 LYS 39 lone 0 100 - 0 - HG3 LYS 49 - HD2 LYS 39 lone 0 100 - 0 - HG2 LYS 49 - HD2 LYS 39 lone 0 100 - 0 - HG2 LYS 106 - HD3 LYS 44 lone 0 85 - 0 - HG LEU 4 - HD2 LYS 39 lone 0 98 - 0 - HG LEU 4 - HD3 LYS 39 lone 0 98 - 0 - HG12 ILE 57 - HD2 LYS 39 lone 0 100 - 0 - HG12 ILE 57 - HD3 LYS 39 lone 0 100 - 0 - HG2 LYS 106 - HD2 LYS 44 lone 0 82 - 0 - HG3 LYS 49 - HD3 LYS 44 lone 0 86 - 0 - HG2 LYS 49 - HD3 LYS 44 lone 0 86 - 0 - HG3 ARG 30 - HD2 LYS 39 lone 0 99 - 0 - HG3 ARG 30 - HD3 LYS 39 lone 0 99 - 0 - HG2 LYS 49 - HD2 LYS 44 lone 0 83 - 0 - HG3 LYS 49 - HD2 LYS 44 lone 0 83 - 0 - HG3 ARG 30 - HD3 LYS 44 lone 0 83 - 0 - HG LEU 4 - HD3 LYS 44 lone 0 82 - 0 - HG12 ILE 7 - HD3 LYS 44 lone 0 86 - 0 - HG3 ARG 30 - HD2 LYS 44 lone 0 80 - 0 - HG LEU 4 - HD2 LYS 44 lone 0 78 - 0 - HG12 ILE 7 - HD2 LYS 44 lone 0 82 - 0 - HG12 ILE 57 - HD3 LYS 44 lone 0 85 - 0 - HG12 ILE 57 - HD2 LYS 44 lone 0 82 - 0 - HB3 LEU 6 - HD3 LYS 44 lone 0 86 - 0 - HB3 LEU 6 - HD2 LYS 44 lone 0 83 - 0 - HG LEU 80 - HD3 LYS 44 lone 0 57 - 0 - HG LEU 80 - HD2 LYS 44 lone 0 54 - 0 - Peak 3613 from cnoeabs.peaks (1.70, 1.71, 29.31 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD3 LYS 39 + HD3 LYS 39 OK 98 98 - 100 HD2 LYS 39 + HD2 LYS 39 OK 97 97 - 100 HD3 LYS 44 + HD3 LYS 44 OK 84 84 - 100 HD2 LYS 44 + HD2 LYS 44 OK 82 82 - 100 Reference assignment not found: HG3 LYS 39 - HD2 LYS 39 Peak 3614 from cnoeabs.peaks (1.71, 1.71, 29.31 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD2 LYS 39 + HD2 LYS 39 OK 100 100 - 100 HD3 LYS 39 + HD3 LYS 39 OK 100 100 - 100 HD3 LYS 44 + HD3 LYS 44 OK 85 85 - 100 HD2 LYS 44 + HD2 LYS 44 OK 80 80 - 100 Peak 3615 from cnoeabs.peaks (1.70, 1.71, 29.31 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD2 LYS 39 + HD2 LYS 39 OK 100 100 - 100 HD3 LYS 39 + HD3 LYS 39 OK 100 100 - 100 HD3 LYS 44 + HD3 LYS 44 OK 86 86 - 100 HD2 LYS 44 + HD2 LYS 44 OK 81 81 - 100 Reference assignment not found: HD3 LYS 39 - HD2 LYS 39 Peak 3616 from cnoeabs.peaks (2.98, 1.71, 29.31 ppm; 2.64 A): 4 out of 56 assignments used, quality = 1.00: * HE2 LYS 39 + HD2 LYS 39 OK 81 100 - 81 - 3.0=72, 3642/3.0=4...(16) HE2 LYS 39 + HD3 LYS 39 OK 81 100 - 81 - 3.0=72, 3642/3.0=4...(16) HE3 LYS 39 + HD2 LYS 39 OK 81 100 - 81 - 3.0=72, 3642/3.0=4...(16) HE3 LYS 39 + HD3 LYS 39 OK 81 100 - 81 - 3.0=72, 3642/3.0=4...(16) HE2 LYS 39 - HD3 LYS 44 lone 5 86 - 6 - HE3 LYS 39 - HD3 LYS 44 lone 5 86 - 6 - HE2 LYS 39 - HD2 LYS 44 lone 5 83 - 6 - HE3 LYS 39 - HD2 LYS 44 lone 5 82 - 6 - HE2 LYS 43 - HD3 LYS 44 lone 4 86 - 5 - HE2 LYS 73 - HD3 LYS 44 lone 4 85 - 5 - HE3 LYS 73 - HD3 LYS 44 lone 4 86 - 4 - HE3 LYS 43 - HD3 LYS 44 lone 4 84 - 4 - HE2 LYS 43 - HD2 LYS 44 lone 4 83 - 5 - HE2 LYS 73 - HD2 LYS 44 lone 4 82 - 4 - HE3 LYS 73 - HD2 LYS 44 lone 4 82 - 4 - HE2 LYS 40 - HD2 LYS 39 lone 4 90 - 4 - HE2 LYS 40 - HD3 LYS 39 lone 4 89 - 4 - HE3 LYS 43 - HD2 LYS 44 lone 4 81 - 4 - HE2 LYS 43 - HD2 LYS 39 lone 3 100 - 3 - HE2 LYS 43 - HD3 LYS 39 lone 3 100 - 3 - HE3 LYS 43 - HD2 LYS 39 lone 3 99 - 3 - HE3 LYS 43 - HD3 LYS 39 lone 3 99 - 3 - HE3 LYS 40 - HD2 LYS 39 lone 3 84 - 3 - HE3 LYS 40 - HD3 LYS 39 lone 3 84 - 3 - HE2 LYS 73 - HD2 LYS 39 lone 2 100 - 2 - HE2 LYS 73 - HD3 LYS 39 lone 2 100 - 2 - HE3 LYS 73 - HD2 LYS 39 lone 2 100 - 2 - HE3 LYS 73 - HD3 LYS 39 lone 2 100 - 2 - HE3 LYS 20 - HD2 LYS 39 lone 1 77 - 1 - HE2 LYS 20 - HD2 LYS 39 lone 1 77 - 1 - HE2 LYS 20 - HD3 LYS 39 lone 1 77 - 1 - HE3 LYS 20 - HD3 LYS 39 lone 1 77 - 1 - HE3 LYS 20 - HD3 LYS 44 lone 1 60 - 1 - HE2 LYS 20 - HD3 LYS 44 lone 1 60 - 1 - HE2 LYS 20 - HD2 LYS 44 lone 1 57 - 1 - HE3 LYS 20 - HD2 LYS 44 lone 1 57 - 1 - HE2 LYS 40 - HD3 LYS 44 lone 1 72 - 1 - HE2 LYS 40 - HD2 LYS 44 lone 1 68 - 1 - HE3 LYS 40 - HD3 LYS 44 lone 0 66 - 1 - HE3 LYS 40 - HD2 LYS 44 lone 0 63 - 1 - HD3 ARG 118 - HD2 LYS 39 lone 0 96 - 0 - HD3 ARG 118 - HD3 LYS 39 lone 0 95 - 0 - HB3 PHE 51 - HD2 LYS 39 lone 0 87 - 0 - HB3 PHE 51 - HD3 LYS 39 lone 0 87 - 0 - HB3 ASN 24 - HD2 LYS 39 lone 0 87 - 0 - HB2 ASN 24 - HD2 LYS 39 lone 0 87 - 0 - HB3 ASN 24 - HD3 LYS 39 lone 0 87 - 0 - HB2 ASN 24 - HD3 LYS 39 lone 0 87 - 0 - HD3 ARG 118 - HD3 LYS 44 lone 0 79 - 0 - HD3 ARG 118 - HD2 LYS 44 lone 0 75 - 0 - HB3 ASN 24 - HD3 LYS 44 lone 0 69 - 0 - HB2 ASN 24 - HD3 LYS 44 lone 0 69 - 0 - HB3 PHE 51 - HD3 LYS 44 lone 0 69 - 0 - HB3 ASN 24 - HD2 LYS 44 lone 0 66 - 0 - HB2 ASN 24 - HD2 LYS 44 lone 0 66 - 0 - HB3 PHE 51 - HD2 LYS 44 lone 0 66 - 0 - Peak 3617 from cnoeabs.peaks (2.98, 1.71, 29.31 ppm; 2.64 A): 4 out of 56 assignments used, quality = 1.00: * HE3 LYS 39 + HD2 LYS 39 OK 81 100 - 81 - 3.0=72, 3642/3.0=4...(16) HE3 LYS 39 + HD3 LYS 39 OK 81 100 - 81 - 3.0=72, 3642/3.0=4...(16) HE2 LYS 39 + HD2 LYS 39 OK 81 100 - 81 - 3.0=72, 3642/3.0=4...(16) HE2 LYS 39 + HD3 LYS 39 OK 81 100 - 81 - 3.0=72, 3642/3.0=4...(16) HE3 LYS 39 - HD3 LYS 44 lone 5 86 - 6 - HE2 LYS 39 - HD3 LYS 44 lone 5 86 - 6 - HE3 LYS 39 - HD2 LYS 44 lone 5 83 - 6 - HE2 LYS 39 - HD2 LYS 44 lone 5 82 - 6 - HE2 LYS 43 - HD3 LYS 44 lone 4 86 - 5 - HE2 LYS 73 - HD3 LYS 44 lone 4 86 - 5 - HE2 LYS 43 - HD2 LYS 44 lone 4 83 - 5 - HE3 LYS 73 - HD3 LYS 44 lone 4 84 - 4 - HE2 LYS 73 - HD2 LYS 44 lone 4 83 - 4 - HE3 LYS 43 - HD3 LYS 44 lone 4 82 - 4 - HE3 LYS 73 - HD2 LYS 44 lone 4 81 - 4 - HE3 LYS 43 - HD2 LYS 44 lone 4 78 - 4 - HE2 LYS 43 - HD2 LYS 39 lone 3 100 - 3 - HE2 LYS 43 - HD3 LYS 39 lone 3 100 - 3 - HE2 LYS 40 - HD2 LYS 39 lone 3 84 - 4 - HE2 LYS 40 - HD3 LYS 39 lone 3 84 - 4 - HE3 LYS 43 - HD2 LYS 39 lone 3 98 - 3 - HE3 LYS 43 - HD3 LYS 39 lone 3 98 - 3 - HE3 LYS 40 - HD2 LYS 39 lone 3 77 - 3 - HE3 LYS 40 - HD3 LYS 39 lone 3 77 - 3 - HE2 LYS 73 - HD2 LYS 39 lone 2 100 - 2 - HE2 LYS 73 - HD3 LYS 39 lone 2 100 - 2 - HE3 LYS 73 - HD2 LYS 39 lone 2 99 - 2 - HE3 LYS 73 - HD3 LYS 39 lone 2 99 - 2 - HE2 LYS 20 - HD2 LYS 39 lone 1 70 - 1 - HE3 LYS 20 - HD2 LYS 39 lone 1 70 - 1 - HE3 LYS 20 - HD3 LYS 39 lone 1 69 - 1 - HE2 LYS 20 - HD3 LYS 39 lone 1 69 - 1 - HE2 LYS 20 - HD3 LYS 44 lone 1 53 - 1 - HE3 LYS 20 - HD3 LYS 44 lone 1 53 - 1 - HE3 LYS 20 - HD2 LYS 44 lone 1 51 - 1 - HE2 LYS 20 - HD2 LYS 44 lone 1 51 - 1 - HE2 LYS 40 - HD3 LYS 44 lone 0 66 - 1 - HE2 LYS 40 - HD2 LYS 44 lone 0 63 - 1 - HE3 LYS 40 - HD3 LYS 44 lone 0 60 - 1 - HE3 LYS 40 - HD2 LYS 44 lone 0 57 - 1 - HD3 ARG 118 - HD2 LYS 39 lone 0 92 - 0 - HD3 ARG 118 - HD3 LYS 39 lone 0 92 - 0 - HB3 PHE 51 - HD2 LYS 39 lone 0 81 - 0 - HB3 PHE 51 - HD3 LYS 39 lone 0 80 - 0 - HB3 ASN 24 - HD2 LYS 39 lone 0 81 - 0 - HB2 ASN 24 - HD2 LYS 39 lone 0 81 - 0 - HB3 ASN 24 - HD3 LYS 39 lone 0 80 - 0 - HB2 ASN 24 - HD3 LYS 39 lone 0 80 - 0 - HD3 ARG 118 - HD3 LYS 44 lone 0 74 - 0 - HD3 ARG 118 - HD2 LYS 44 lone 0 71 - 0 - HB3 ASN 24 - HD3 LYS 44 lone 0 63 - 0 - HB2 ASN 24 - HD3 LYS 44 lone 0 63 - 0 - HB3 PHE 51 - HD3 LYS 44 lone 0 63 - 0 - HB3 ASN 24 - HD2 LYS 44 lone 0 60 - 0 - HB2 ASN 24 - HD2 LYS 44 lone 0 60 - 0 - HB3 PHE 51 - HD2 LYS 44 lone 0 60 - 0 - Peak 3618 from cnoeabs.peaks (7.83, 1.70, 29.31 ppm; 4.04 A): 2 out of 20 assignments used, quality = 0.97: * H LYS 39 + HD3 LYS 39 OK 82 100 - 82 - 6.2=28, 3598/3.0=18...(19) H LYS 39 + HD2 LYS 39 OK 82 100 - 82 - 6.2=28, 3598/3.0=18...(19) H ILE 97 - HD3 LYS 39 OK 34 100 - 34 - 3588/3.0=8, 3598/3.0=7...(12) H ILE 97 - HD2 LYS 39 OK 34 100 - 34 - 3588/3.0=8, 3598/3.0=7...(12) H LYS 39 - HD3 LYS 44 OK 23 87 - 26 - 7798/2.9=3, 3.0/3619=3...(13) H LYS 39 - HD2 LYS 44 OK 21 85 - 25 - 7798/2.9=3, 3.0/3619=3...(13) H ILE 97 - HD3 LYS 44 OK 20 87 - 23 - 7798/2.9=3, 3.6/3961=3...(11) H ILE 97 - HD2 LYS 44 OK 20 84 - 24 - 7798/2.9=3, 3.6/3961=3...(11) H VAL 78 - HD3 LYS 39 lone 8 100 - 8 - 3588/3.0=2, 3598/3.0=2 H VAL 78 - HD2 LYS 39 lone 8 100 - 8 - 3588/3.0=2, 3598/3.0=2 H VAL 78 - HD3 LYS 44 lone 2 87 - 3 - H VAL 78 - HD2 LYS 44 lone 2 85 - 3 - H TYR 27 - HD3 LYS 44 lone 2 58 - 4 - 11346/5.4=1 H TYR 27 - HD2 LYS 44 lone 2 55 - 4 - 11346/5.4=1 H TYR 27 - HD3 LYS 39 lone 2 73 - 2 - H TYR 27 - HD2 LYS 39 lone 2 73 - 2 - HE21 GLN 62 - HD3 LYS 39 lone 1 65 - 2 - HE21 GLN 62 - HD2 LYS 39 lone 1 65 - 2 - HE21 GLN 62 - HD3 LYS 44 lone 0 51 - 1 - HE21 GLN 62 - HD2 LYS 44 lone 0 49 - 1 - Peak 3619 from cnoeabs.peaks (3.84, 1.70, 29.31 ppm; 4.22 A): 2 out of 12 assignments used, quality = 1.00: * HA LYS 39 + HD3 LYS 39 OK 94 100 - 94 - 5.3=51, 3562/3.0=17...(44) HA LYS 39 + HD2 LYS 39 OK 94 100 - 94 - 5.3=51, 3562/3.0=17...(44) HA LYS 39 - HD3 LYS 44 OK 25 87 - 28 - 3564=3, 3564/1.8=3...(13) HA LYS 39 - HD2 LYS 44 OK 24 85 - 28 - 3564=3, 3564/1.8=3...(13) HA LYS 16 - HD3 LYS 44 lone 5 87 - 6 - HA LYS 16 - HD2 LYS 44 lone 5 84 - 5 - HA LYS 16 - HD3 LYS 39 lone 2 100 - 2 - HA LYS 16 - HD2 LYS 39 lone 2 100 - 2 - HA2 GLY 75 - HD3 LYS 39 lone 1 99 - 1 - HA2 GLY 75 - HD2 LYS 39 lone 1 99 - 1 - HA2 GLY 75 - HD3 LYS 44 lone 1 84 - 2 - HA2 GLY 75 - HD2 LYS 44 lone 1 82 - 2 - Peak 3620 from cnoeabs.peaks (1.93, 1.70, 29.31 ppm; 2.64 A): 4 out of 80 assignments used, quality = 0.99: HB2 LYS 39 + HD2 LYS 39 OK 72 100 - 72 - 3.5=42, 2.9/3612=5...(27) * HB2 LYS 39 + HD3 LYS 39 OK 72 100 - 72 - 3.5=42, 2.9/3612=5...(27) HB3 LYS 39 + HD3 LYS 39 OK 57 81 - 71 - 3.5=42, 2.9/3612=5...(28) HB3 LYS 39 + HD2 LYS 39 OK 57 80 - 71 - 3.5=42, 2.9/3612=5...(28) HB2 LYS 39 - HD3 LYS 44 poor 10 87 - 11 - 3.0/3619=1 HB2 LYS 39 - HD2 LYS 44 poor 9 85 - 11 - HB2 LYS 123 - HD3 LYS 44 lone 9 87 - 10 - HB2 LYS 123 - HD2 LYS 44 lone 8 85 - 10 - HB3 LYS 40 - HD3 LYS 39 lone 7 90 - 8 - 4.0/7477=2 HB3 LYS 39 - HD3 LYS 44 poor 7 64 - 11 - 3.0/3619=1 HB3 LYS 40 - HD2 LYS 39 lone 7 89 - 8 - 4.0/7477=2 HB3 LYS 39 - HD2 LYS 44 poor 7 62 - 11 - HB2 LYS 123 - HD3 LYS 39 lone 6 100 - 6 - HB2 LYS 123 - HD2 LYS 39 lone 6 100 - 6 - HB3 GLU 41 - HD3 LYS 44 lone 3 61 - 6 - ~9397=2, 3.0/10937=2 HB3 GLU 41 - HD2 LYS 44 lone 3 59 - 6 - ~9397=2, 3.0/10937=2 HB2 GLU 41 - HD3 LYS 44 lone 3 58 - 6 - ~9397=2, 3.0/10937=2 HB2 GLU 41 - HD2 LYS 44 lone 3 55 - 6 - ~9397=2, 3.0/10937=2 HB3 LYS 40 - HD3 LYS 44 lone 2 73 - 3 - HB3 LYS 40 - HD2 LYS 44 lone 2 70 - 2 - HB2 LEU 81 - HD3 LYS 39 lone 1 77 - 1 - HB2 LEU 81 - HD2 LYS 39 lone 1 77 - 1 - HB3 LYS 65 - HD3 LYS 39 lone 1 100 - 1 - HB2 LYS 65 - HD3 LYS 39 lone 1 100 - 1 - HB3 LYS 65 - HD2 LYS 39 lone 1 100 - 1 - HB2 LYS 65 - HD2 LYS 39 lone 1 100 - 1 - HB3 GLU 41 - HD3 LYS 39 lone 1 77 - 1 - HB3 GLU 41 - HD2 LYS 39 lone 1 77 - 1 - HB2 LYS 115 - HD3 LYS 39 lone 1 98 - 1 - HB2 LYS 115 - HD2 LYS 39 lone 1 98 - 1 - HB3 LYS 115 - HD3 LYS 39 lone 1 100 - 1 - HB3 LYS 115 - HD2 LYS 39 lone 1 100 - 1 - HB2 GLU 41 - HD3 LYS 39 lone 1 73 - 1 - HB2 GLU 41 - HD2 LYS 39 lone 1 73 - 1 - HB3 MET 42 - HD3 LYS 39 lone 1 73 - 1 - HB3 MET 42 - HD2 LYS 39 lone 1 73 - 1 - HB VAL 104 - HD3 LYS 39 lone 1 87 - 1 - HB VAL 104 - HD2 LYS 39 lone 1 87 - 1 - HB2 LYS 65 - HD3 LYS 44 lone 1 87 - 1 - HB3 LYS 65 - HD3 LYS 44 lone 1 87 - 1 - HB2 LYS 65 - HD2 LYS 44 lone 1 85 - 1 - HB3 LYS 65 - HD2 LYS 44 lone 1 85 - 1 - HB2 LEU 70 - HD3 LYS 44 lone 1 80 - 1 - HB2 LEU 70 - HD2 LYS 44 lone 1 77 - 1 - HB3 LYS 115 - HD3 LYS 44 lone 1 87 - 1 - HB3 LYS 115 - HD2 LYS 44 lone 1 85 - 1 - HB2 LYS 115 - HD3 LYS 44 lone 0 83 - 1 - HB2 LYS 115 - HD2 LYS 44 lone 0 80 - 1 - HB VAL 29 - HD3 LYS 39 lone 0 61 - 1 - HB VAL 29 - HD2 LYS 39 lone 0 61 - 1 - HB2 LEU 70 - HD3 LYS 39 lone 0 96 - 0 - HB2 LEU 70 - HD2 LYS 39 lone 0 95 - 0 - HB3 LYS 17 - HD3 LYS 39 lone 0 87 - 0 - HB3 LYS 17 - HD2 LYS 39 lone 0 87 - 0 - HB2 LEU 127 - HD3 LYS 39 lone 0 100 - 0 - HB2 LEU 127 - HD2 LYS 39 lone 0 100 - 0 - HB VAL 104 - HD3 LYS 44 lone 0 70 - 0 - HB VAL 104 - HD2 LYS 44 lone 0 68 - 0 - HB3 LYS 17 - HD3 LYS 44 lone 0 70 - 0 - HB3 LYS 17 - HD2 LYS 44 lone 0 68 - 0 - HB3 GLU 52 - HD3 LYS 39 lone 0 65 - 0 - HB3 GLU 52 - HD2 LYS 39 lone 0 65 - 0 - HB2 LEU 127 - HD3 LYS 44 lone 0 87 - 0 - HG2 MET 121 - HD3 LYS 39 lone 0 70 - 0 - HG2 MET 121 - HD2 LYS 39 lone 0 69 - 0 - HB ILE 15 - HD3 LYS 39 lone 0 61 - 0 - HB ILE 15 - HD2 LYS 39 lone 0 61 - 0 - HB2 LEU 127 - HD2 LYS 44 lone 0 85 - 0 - HB3 MET 42 - HD2 LYS 44 lone 0 55 - 0 - HB3 MET 42 - HD3 LYS 44 lone 0 58 - 0 - HB ILE 15 - HD3 LYS 44 lone 0 47 - 0 - HB2 LEU 81 - HD3 LYS 44 lone 0 61 - 0 - HB ILE 15 - HD2 LYS 44 lone 0 46 - 0 - HB3 GLU 52 - HD3 LYS 44 lone 0 51 - 0 - HB2 LEU 81 - HD2 LYS 44 lone 0 59 - 0 - HB3 GLU 52 - HD2 LYS 44 lone 0 49 - 0 - HG2 MET 121 - HD3 LYS 44 lone 0 54 - 0 - HG2 MET 121 - HD2 LYS 44 lone 0 52 - 0 - HB VAL 29 - HD3 LYS 44 lone 0 47 - 0 - HB VAL 29 - HD2 LYS 44 lone 0 46 - 0 - Peak 3621 from cnoeabs.peaks (1.95, 1.70, 29.31 ppm; 2.67 A): 4 out of 64 assignments used, quality = 0.99: HB3 LYS 39 + HD2 LYS 39 OK 74 100 - 74 - 3.5=43, 2.9/3612=5...(30) * HB3 LYS 39 + HD3 LYS 39 OK 74 100 - 74 - 3.5=43, 2.9/3612=5...(29) HB2 LYS 39 + HD3 LYS 39 OK 58 81 - 73 - 3.5=43, 2.9/3612=5...(27) HB2 LYS 39 + HD2 LYS 39 OK 58 80 - 73 - 3.5=43, 2.9/3612=5...(28) HB3 LYS 39 - HD3 LYS 44 OK 10 87 - 12 - 3584=1, 3.0/3619=1 HB3 LYS 39 - HD2 LYS 44 poor 10 85 - 12 - 3584=1, 3.0/3619=1 HB3 LYS 40 - HD3 LYS 39 lone 8 100 - 8 - 4.0/7477=2 HB3 LYS 40 - HD2 LYS 39 lone 8 100 - 8 - 4.0/7477=2 HB2 LYS 39 - HD3 LYS 44 poor 7 64 - 11 - 3.0/3619=1 HB2 LYS 39 - HD2 LYS 44 poor 7 62 - 11 - 3.0/3619=1 HB2 LYS 123 - HD3 LYS 44 lone 6 64 - 10 - HB2 LYS 123 - HD2 LYS 44 lone 6 62 - 10 - HB3 GLU 41 - HD3 LYS 44 lone 5 87 - 6 - ~9397=2, 3.0/10937=2 HB2 GLU 41 - HD3 LYS 44 lone 5 87 - 6 - ~9397=2, 3.0/10937=2 HB3 GLU 41 - HD2 LYS 44 lone 5 85 - 6 - ~9397=2, 3.0/10937=2, ~10937=1 HB2 GLU 41 - HD2 LYS 44 lone 5 84 - 6 - ~9397=2, 3.0/10937=2, ~10937=1 HB2 LYS 123 - HD3 LYS 39 lone 5 81 - 6 - HB2 LYS 123 - HD2 LYS 39 lone 5 80 - 6 - HB3 MET 42 - HD3 LYS 39 lone 3 100 - 3 - 8060/5.3=2 HB3 MET 42 - HD2 LYS 39 lone 3 100 - 3 - 8060/5.3=2 HB3 LYS 40 - HD3 LYS 44 lone 2 86 - 3 - HB3 LYS 40 - HD2 LYS 44 lone 2 84 - 3 - HB3 GLU 41 - HD3 LYS 39 lone 1 100 - 1 - HB3 GLU 41 - HD2 LYS 39 lone 1 100 - 1 - HB2 GLU 41 - HD3 LYS 39 lone 1 100 - 1 - HB2 GLU 41 - HD2 LYS 39 lone 1 100 - 1 - HB VAL 104 - HD3 LYS 39 lone 1 100 - 1 - HB VAL 104 - HD2 LYS 39 lone 1 100 - 1 - HB VAL 29 - HD3 LYS 39 lone 1 99 - 1 - HB VAL 29 - HD2 LYS 39 lone 1 99 - 1 - HB2 LYS 65 - HD3 LYS 39 lone 1 81 - 1 - HB2 LYS 65 - HD2 LYS 39 lone 1 80 - 1 - HB3 LYS 65 - HD3 LYS 39 lone 1 77 - 1 - HB3 LYS 65 - HD2 LYS 39 lone 1 77 - 1 - HB3 LYS 115 - HD3 LYS 39 lone 1 81 - 1 - HB2 LEU 70 - HD3 LYS 44 lone 1 83 - 1 - HB3 LYS 115 - HD2 LYS 39 lone 1 80 - 1 - HB2 LEU 70 - HD2 LYS 44 lone 1 80 - 1 - HB2 LEU 70 - HD3 LYS 39 lone 0 98 - 0 - HB2 LEU 70 - HD2 LYS 39 lone 0 98 - 0 - HB2 LYS 65 - HD3 LYS 44 lone 0 64 - 1 - HB2 LYS 65 - HD2 LYS 44 lone 0 62 - 1 - HB VAL 104 - HD3 LYS 44 lone 0 87 - 0 - HB3 LYS 65 - HD3 LYS 44 lone 0 61 - 1 - HB VAL 104 - HD2 LYS 44 lone 0 84 - 0 - HB3 LYS 65 - HD2 LYS 44 lone 0 59 - 1 - HB3 GLU 128 - HD3 LYS 44 lone 0 83 - 0 - HB3 MET 42 - HD3 LYS 44 lone 0 87 - 0 - HB3 GLU 128 - HD2 LYS 44 lone 0 80 - 0 - HB3 MET 42 - HD2 LYS 44 lone 0 84 - 0 - HB3 GLU 52 - HD3 LYS 39 lone 0 99 - 0 - HB3 GLU 52 - HD2 LYS 39 lone 0 99 - 0 - HB3 LYS 115 - HD3 LYS 44 lone 0 64 - 1 - HB3 LYS 115 - HD2 LYS 44 lone 0 62 - 1 - HB3 GLU 128 - HD3 LYS 39 lone 0 98 - 0 - HB3 GLU 128 - HD2 LYS 39 lone 0 98 - 0 - HB3 GLU 52 - HD3 LYS 44 lone 0 85 - 0 - HB3 GLU 52 - HD2 LYS 44 lone 0 83 - 0 - HB VAL 29 - HD3 LYS 44 lone 0 84 - 0 - HB2 LEU 127 - HD3 LYS 39 lone 0 77 - 0 - HB2 LEU 127 - HD2 LYS 39 lone 0 77 - 0 - HB VAL 29 - HD2 LYS 44 lone 0 82 - 0 - HB2 LEU 127 - HD3 LYS 44 lone 0 61 - 0 - HB2 LEU 127 - HD2 LYS 44 lone 0 59 - 0 - Peak 3622 from cnoeabs.peaks (1.46, 1.70, 29.31 ppm; 2.79 A): 2 out of 60 assignments used, quality = 0.99: * HG2 LYS 39 + HD3 LYS 39 OK 91 100 - 91 - 3.0=83, 3642/3.0=5...(21) HG2 LYS 39 + HD2 LYS 39 OK 91 100 - 91 - 3.0=83, 3642/3.0=5...(21) HG3 LYS 44 - HD3 LYS 44 OK 45 47 - 94 - 2.9=85, 1.8/3964=7...(30) HG3 LYS 44 - HD2 LYS 44 OK 43 46 - 94 - 2.9=85, 1.8/3964=7...(29) HG2 LYS 96 - HD3 LYS 44 OK 22 54 - 42 - 1.8/3964=3, 3947=3...(14) HG2 LYS 96 - HD2 LYS 44 OK 21 52 - 41 - 1.8/3964=3, 3947=3...(13) HB3 LEU 38 - HD3 LYS 39 lone 8 99 - 8 - ~11038=2, 3562/5.3=2, 4.6/3608=2 HB3 LEU 38 - HD2 LYS 39 lone 8 99 - 8 - ~11038=2, 3562/5.3=2, 4.6/3608=2 HG2 LYS 39 - HD3 LYS 44 lone 7 87 - 8 - HG2 LYS 39 - HD2 LYS 44 lone 7 85 - 8 - HG2 LYS 96 - HD3 LYS 39 lone 7 70 - 9 - HG2 LYS 96 - HD2 LYS 39 lone 7 69 - 9 - HG3 LYS 44 - HD3 LYS 39 lone 6 61 - 10 - HG3 LYS 44 - HD2 LYS 39 lone 6 61 - 10 - HG3 LYS 20 - HD2 LYS 39 lone 2 61 - 2 - HG3 LYS 20 - HD3 LYS 39 lone 2 61 - 2 - HG LEU 80 - HD3 LYS 39 lone 1 73 - 1 - ~11039=1 HG LEU 80 - HD2 LYS 39 lone 1 73 - 1 - ~11039=1 HB2 LEU 74 - HD3 LYS 39 lone 1 94 - 1 - HB2 LEU 74 - HD2 LYS 39 lone 1 94 - 1 - HB3 LEU 38 - HD3 LYS 44 lone 1 85 - 1 - HB2 LEU 74 - HD3 LYS 44 lone 1 78 - 1 - HB3 LEU 38 - HD2 LYS 44 lone 1 83 - 1 - HG12 ILE 7 - HD3 LYS 39 lone 1 100 - 1 - HG12 ILE 7 - HD2 LYS 39 lone 1 100 - 1 - HB2 LEU 74 - HD2 LYS 44 lone 1 75 - 1 - HG3 LYS 20 - HD3 LYS 44 lone 1 47 - 2 - HG2 LYS 106 - HD2 LYS 39 lone 1 100 - 1 - HG2 LYS 106 - HD3 LYS 39 lone 1 100 - 1 - HG3 LYS 20 - HD2 LYS 44 lone 1 46 - 2 - HB3 LEU 6 - HD3 LYS 39 lone 1 100 - 1 - HB3 LEU 6 - HD2 LYS 39 lone 1 100 - 1 - HG2 LYS 49 - HD3 LYS 39 lone 0 100 - 0 - HG3 LYS 49 - HD3 LYS 39 lone 0 100 - 0 - HG3 LYS 49 - HD2 LYS 39 lone 0 100 - 0 - HG2 LYS 49 - HD2 LYS 39 lone 0 100 - 0 - HG2 LYS 106 - HD3 LYS 44 lone 0 86 - 0 - HG LEU 4 - HD2 LYS 39 lone 0 98 - 0 - HG LEU 4 - HD3 LYS 39 lone 0 98 - 0 - HG12 ILE 57 - HD3 LYS 39 lone 0 100 - 0 - HG12 ILE 57 - HD2 LYS 39 lone 0 100 - 0 - HG2 LYS 106 - HD2 LYS 44 lone 0 84 - 0 - HG3 LYS 49 - HD3 LYS 44 lone 0 87 - 0 - HG2 LYS 49 - HD3 LYS 44 lone 0 87 - 0 - HG3 LYS 49 - HD2 LYS 44 lone 0 85 - 0 - HG2 LYS 49 - HD2 LYS 44 lone 0 85 - 0 - HG3 ARG 30 - HD3 LYS 39 lone 0 99 - 0 - HG3 ARG 30 - HD2 LYS 39 lone 0 99 - 0 - HG3 ARG 30 - HD3 LYS 44 lone 0 84 - 0 - HG LEU 4 - HD3 LYS 44 lone 0 83 - 0 - HG3 ARG 30 - HD2 LYS 44 lone 0 82 - 0 - HG12 ILE 7 - HD3 LYS 44 lone 0 87 - 0 - HG LEU 4 - HD2 LYS 44 lone 0 80 - 0 - HG12 ILE 7 - HD2 LYS 44 lone 0 84 - 0 - HG12 ILE 57 - HD3 LYS 44 lone 0 86 - 0 - HG12 ILE 57 - HD2 LYS 44 lone 0 84 - 0 - HB3 LEU 6 - HD3 LYS 44 lone 0 87 - 0 - HB3 LEU 6 - HD2 LYS 44 lone 0 85 - 0 - HG LEU 80 - HD3 LYS 44 lone 0 58 - 0 - HG LEU 80 - HD2 LYS 44 lone 0 55 - 0 - Peak 3623 from cnoeabs.peaks (1.70, 1.70, 29.31 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD3 LYS 39 + HD3 LYS 39 OK 98 98 - 100 HD2 LYS 39 + HD2 LYS 39 OK 97 97 - 100 HD3 LYS 44 + HD3 LYS 44 OK 85 85 - 100 HD2 LYS 44 + HD2 LYS 44 OK 84 84 - 100 Reference assignment not found: HG3 LYS 39 - HD3 LYS 39 Peak 3624 from cnoeabs.peaks (1.71, 1.70, 29.31 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD3 LYS 39 + HD3 LYS 39 OK 100 100 - 100 HD2 LYS 39 + HD2 LYS 39 OK 100 100 - 100 HD3 LYS 44 + HD3 LYS 44 OK 86 86 - 100 HD2 LYS 44 + HD2 LYS 44 OK 82 82 - 100 Reference assignment not found: HD2 LYS 39 - HD3 LYS 39 Peak 3625 from cnoeabs.peaks (1.70, 1.70, 29.31 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD3 LYS 39 + HD3 LYS 39 OK 100 100 - 100 HD2 LYS 39 + HD2 LYS 39 OK 100 100 - 100 HD3 LYS 44 + HD3 LYS 44 OK 87 87 - 100 HD2 LYS 44 + HD2 LYS 44 OK 83 83 - 100 Peak 3626 from cnoeabs.peaks (2.98, 1.70, 29.31 ppm; 2.64 A): 4 out of 56 assignments used, quality = 1.00: * HE2 LYS 39 + HD3 LYS 39 OK 81 100 - 81 - 3.0=72, 3642/3.0=4...(16) HE2 LYS 39 + HD2 LYS 39 OK 81 100 - 81 - 3.0=72, 3642/3.0=4...(16) HE3 LYS 39 + HD3 LYS 39 OK 81 100 - 81 - 3.0=72, 3642/3.0=4...(16) HE3 LYS 39 + HD2 LYS 39 OK 81 100 - 81 - 3.0=72, 3642/3.0=4...(16) HE2 LYS 39 - HD3 LYS 44 lone 5 87 - 6 - HE3 LYS 39 - HD3 LYS 44 lone 5 87 - 6 - HE2 LYS 39 - HD2 LYS 44 lone 5 85 - 6 - HE3 LYS 39 - HD2 LYS 44 lone 5 84 - 6 - HE2 LYS 43 - HD3 LYS 44 lone 4 87 - 5 - HE2 LYS 73 - HD3 LYS 44 lone 4 86 - 5 - HE3 LYS 73 - HD3 LYS 44 lone 4 87 - 4 - HE2 LYS 43 - HD2 LYS 44 lone 4 85 - 5 - HE3 LYS 43 - HD3 LYS 44 lone 4 85 - 5 - HE2 LYS 73 - HD2 LYS 44 lone 4 84 - 4 - HE3 LYS 73 - HD2 LYS 44 lone 4 84 - 4 - HE3 LYS 43 - HD2 LYS 44 lone 4 83 - 4 - HE2 LYS 40 - HD3 LYS 39 lone 4 90 - 4 - HE2 LYS 40 - HD2 LYS 39 lone 4 89 - 4 - HE2 LYS 43 - HD3 LYS 39 lone 3 100 - 3 - HE2 LYS 43 - HD2 LYS 39 lone 3 100 - 3 - HE3 LYS 43 - HD3 LYS 39 lone 3 99 - 3 - HE3 LYS 43 - HD2 LYS 39 lone 3 99 - 3 - HE3 LYS 40 - HD3 LYS 39 lone 3 84 - 3 - HE3 LYS 40 - HD2 LYS 39 lone 3 84 - 3 - HE2 LYS 73 - HD3 LYS 39 lone 2 100 - 2 - HE2 LYS 73 - HD2 LYS 39 lone 2 100 - 2 - HE3 LYS 73 - HD3 LYS 39 lone 2 100 - 2 - HE3 LYS 73 - HD2 LYS 39 lone 2 100 - 2 - HE3 LYS 20 - HD3 LYS 39 lone 1 77 - 1 - HE2 LYS 20 - HD3 LYS 39 lone 1 77 - 1 - HE2 LYS 20 - HD2 LYS 39 lone 1 77 - 1 - HE3 LYS 20 - HD2 LYS 39 lone 1 77 - 1 - HE3 LYS 20 - HD3 LYS 44 lone 1 61 - 1 - HE2 LYS 20 - HD3 LYS 44 lone 1 61 - 1 - HE3 LYS 20 - HD2 LYS 44 lone 1 59 - 1 - HE2 LYS 20 - HD2 LYS 44 lone 1 59 - 1 - HE2 LYS 40 - HD3 LYS 44 lone 1 73 - 1 - HE2 LYS 40 - HD2 LYS 44 lone 1 70 - 1 - HE3 LYS 40 - HD3 LYS 44 lone 0 67 - 1 - HE3 LYS 40 - HD2 LYS 44 lone 0 65 - 1 - HD3 ARG 118 - HD3 LYS 39 lone 0 96 - 0 - HD3 ARG 118 - HD2 LYS 39 lone 0 95 - 0 - HB3 PHE 51 - HD3 LYS 39 lone 0 87 - 0 - HB3 PHE 51 - HD2 LYS 39 lone 0 87 - 0 - HB3 ASN 24 - HD3 LYS 39 lone 0 87 - 0 - HB2 ASN 24 - HD3 LYS 39 lone 0 87 - 0 - HB3 ASN 24 - HD2 LYS 39 lone 0 87 - 0 - HB2 ASN 24 - HD2 LYS 39 lone 0 87 - 0 - HD3 ARG 118 - HD3 LYS 44 lone 0 80 - 0 - HD3 ARG 118 - HD2 LYS 44 lone 0 77 - 0 - HB3 ASN 24 - HD3 LYS 44 lone 0 70 - 0 - HB2 ASN 24 - HD3 LYS 44 lone 0 70 - 0 - HB3 ASN 24 - HD2 LYS 44 lone 0 68 - 0 - HB2 ASN 24 - HD2 LYS 44 lone 0 68 - 0 - HB3 PHE 51 - HD3 LYS 44 lone 0 70 - 0 - HB3 PHE 51 - HD2 LYS 44 lone 0 68 - 0 - Peak 3627 from cnoeabs.peaks (2.98, 1.70, 29.31 ppm; 2.64 A): 4 out of 56 assignments used, quality = 1.00: * HE3 LYS 39 + HD3 LYS 39 OK 81 100 - 81 - 3.0=72, 3642/3.0=4...(16) HE3 LYS 39 + HD2 LYS 39 OK 81 100 - 81 - 3.0=72, 3642/3.0=4...(16) HE2 LYS 39 + HD3 LYS 39 OK 81 100 - 81 - 3.0=72, 3642/3.0=4...(16) HE2 LYS 39 + HD2 LYS 39 OK 81 100 - 81 - 3.0=72, 3642/3.0=4...(16) HE3 LYS 39 - HD3 LYS 44 lone 5 87 - 6 - HE2 LYS 39 - HD3 LYS 44 lone 5 87 - 6 - HE3 LYS 39 - HD2 LYS 44 lone 5 85 - 6 - HE2 LYS 39 - HD2 LYS 44 lone 5 84 - 6 - HE2 LYS 43 - HD3 LYS 44 lone 4 87 - 5 - HE2 LYS 73 - HD3 LYS 44 lone 4 87 - 5 - HE2 LYS 43 - HD2 LYS 44 lone 4 85 - 5 - HE2 LYS 73 - HD2 LYS 44 lone 4 85 - 4 - HE3 LYS 73 - HD3 LYS 44 lone 4 85 - 4 - HE3 LYS 43 - HD3 LYS 44 lone 4 83 - 5 - HE3 LYS 73 - HD2 LYS 44 lone 4 83 - 4 - HE3 LYS 43 - HD2 LYS 44 lone 4 80 - 4 - HE2 LYS 43 - HD3 LYS 39 lone 3 100 - 3 - HE2 LYS 43 - HD2 LYS 39 lone 3 100 - 3 - HE2 LYS 40 - HD3 LYS 39 lone 3 84 - 4 - HE2 LYS 40 - HD2 LYS 39 lone 3 84 - 4 - HE3 LYS 43 - HD3 LYS 39 lone 3 98 - 3 - HE3 LYS 43 - HD2 LYS 39 lone 3 98 - 3 - HE3 LYS 40 - HD3 LYS 39 lone 3 77 - 3 - HE3 LYS 40 - HD2 LYS 39 lone 3 77 - 3 - HE2 LYS 73 - HD3 LYS 39 lone 2 100 - 2 - HE2 LYS 73 - HD2 LYS 39 lone 2 100 - 2 - HE3 LYS 73 - HD3 LYS 39 lone 2 99 - 2 - HE3 LYS 73 - HD2 LYS 39 lone 2 99 - 2 - HE2 LYS 20 - HD3 LYS 39 lone 1 70 - 1 - HE3 LYS 20 - HD3 LYS 39 lone 1 70 - 1 - HE3 LYS 20 - HD2 LYS 39 lone 1 69 - 1 - HE2 LYS 20 - HD2 LYS 39 lone 1 69 - 1 - HE3 LYS 20 - HD3 LYS 44 lone 1 54 - 1 - HE2 LYS 20 - HD3 LYS 44 lone 1 54 - 1 - HE3 LYS 20 - HD2 LYS 44 lone 1 52 - 1 - HE2 LYS 20 - HD2 LYS 44 lone 1 52 - 1 - HE2 LYS 40 - HD3 LYS 44 lone 1 67 - 1 - HE2 LYS 40 - HD2 LYS 44 lone 0 65 - 1 - HE3 LYS 40 - HD3 LYS 44 lone 0 61 - 1 - HE3 LYS 40 - HD2 LYS 44 lone 0 59 - 1 - HD3 ARG 118 - HD3 LYS 39 lone 0 92 - 0 - HD3 ARG 118 - HD2 LYS 39 lone 0 92 - 0 - HB3 PHE 51 - HD3 LYS 39 lone 0 81 - 0 - HB3 PHE 51 - HD2 LYS 39 lone 0 80 - 0 - HB3 ASN 24 - HD3 LYS 39 lone 0 81 - 0 - HB2 ASN 24 - HD3 LYS 39 lone 0 81 - 0 - HB3 ASN 24 - HD2 LYS 39 lone 0 80 - 0 - HB2 ASN 24 - HD2 LYS 39 lone 0 80 - 0 - HD3 ARG 118 - HD3 LYS 44 lone 0 75 - 0 - HD3 ARG 118 - HD2 LYS 44 lone 0 73 - 0 - HB3 ASN 24 - HD3 LYS 44 lone 0 64 - 0 - HB2 ASN 24 - HD3 LYS 44 lone 0 64 - 0 - HB3 ASN 24 - HD2 LYS 44 lone 0 62 - 0 - HB2 ASN 24 - HD2 LYS 44 lone 0 62 - 0 - HB3 PHE 51 - HD3 LYS 44 lone 0 64 - 0 - HB3 PHE 51 - HD2 LYS 44 lone 0 62 - 0 - Peak 3630 from cnoeabs.peaks (1.93, 2.98, 41.78 ppm; 3.25 A): 5 out of 160 assignments used, quality = 0.99: * HB2 LYS 39 + HE2 LYS 39 OK 75 100 - 75 - 5.0=27, 2.9/3642=7...(38) HB2 LYS 39 + HE3 LYS 39 OK 75 100 - 75 - 5.0=27, 2.9/3642=7...(38) HB3 LYS 39 + HE2 LYS 39 OK 59 81 - 74 - 5.0=27, 2.9/3642=7...(39) HB3 LYS 39 + HE3 LYS 39 OK 59 80 - 74 - 5.0=27, 2.9/3642=7...(39) HB3 LYS 40 + HE2 LYS 40 OK 50 64 - 78 - 5.0=28, 3711/3.0=6...(47) HB3 LYS 40 - HE3 LYS 40 OK 43 55 - 78 - 5.0=28, 3711/3.0=6...(47) HB3 LYS 40 - HE2 LYS 43 OK 26 89 - 29 - 2.7/3696=2, 2.7/3885=2...(12) HB3 LYS 40 - HE3 LYS 43 OK 24 86 - 28 - 2.7/3696=2, 1.8/3666=2...(10) HB3 LYS 40 - HE2 LYS 73 OK 15 88 - 17 - 2.7/3696=1, 2.7/3885=1 HB3 LYS 40 - HE3 LYS 73 OK 14 89 - 16 - 2.7/3696=1 HB3 LYS 40 - HE3 LYS 39 OK 13 89 - 14 - 4.0/1257=1 HB3 LYS 40 - HE2 LYS 39 OK 13 90 - 14 - 4.0/1257=1 HB2 LYS 39 - HE2 LYS 40 OK 11 78 - 15 - 7473/7.5=2 HB2 LYS 39 - HE2 LYS 43 lone 10 100 - 10 - HB2 LYS 39 - HE3 LYS 43 lone 10 99 - 10 - HB2 LYS 39 - HE3 LYS 40 poor 9 68 - 14 - 7473/7.5=2 HB3 LYS 39 - HE2 LYS 40 poor 8 56 - 14 - 4.3/1257=2 HB3 LYS 39 - HE2 LYS 43 lone 8 80 - 10 - HB3 LYS 39 - HE3 LYS 43 lone 7 77 - 9 - HB3 LYS 39 - HE3 LYS 40 poor 6 48 - 13 - 4.3/1257=2 HB2 LEU 70 - HE3 LYS 73 lone 6 95 - 6 - ~11077=2, 5034/6.7=1, ~11661=1 HB2 LEU 70 - HE2 LYS 73 lone 5 94 - 6 - ~11077=2, 5034/6.7=1, ~11661=1 HB2 LYS 39 - HE2 LYS 73 lone 5 99 - 5 - HB2 LYS 39 - HE3 LYS 73 lone 5 100 - 5 - HB2 LYS 123 - HE2 LYS 39 lone 4 100 - 4 - HB3 LYS 39 - HE2 LYS 73 lone 4 79 - 5 - HB2 LYS 123 - HE3 LYS 39 lone 4 100 - 4 - HB3 LYS 39 - HE3 LYS 73 lone 4 80 - 5 - HB3 MET 42 - HE2 LYS 39 lone 2 73 - 3 - 8060/6.6=2 HB3 MET 42 - HE3 LYS 39 lone 2 73 - 3 - 8060/6.6=2 HB2 LYS 115 - HE2 LYS 39 lone 2 98 - 2 - HB2 LYS 115 - HE3 LYS 39 lone 2 98 - 2 - HB3 GLU 41 - HE2 LYS 40 lone 1 53 - 3 - HB3 LYS 115 - HE3 LYS 39 lone 1 100 - 1 - HB3 LYS 115 - HE2 LYS 39 lone 1 100 - 1 - HB3 LYS 65 - HE3 LYS 39 lone 1 100 - 1 - HB3 LYS 65 - HE2 LYS 39 lone 1 100 - 1 - HB2 LYS 65 - HE3 LYS 39 lone 1 100 - 1 - HB2 LYS 65 - HE2 LYS 39 lone 1 100 - 1 - HB2 GLU 41 - HE2 LYS 40 lone 1 50 - 3 - HB3 MET 42 - HE2 LYS 43 lone 1 73 - 2 - 247/7.0=1 HB3 MET 42 - HE3 LYS 43 lone 1 70 - 2 - 247/7.0=1 HB3 GLU 41 - HE3 LYS 40 lone 1 45 - 3 - HB2 GLU 41 - HE3 LYS 40 lone 1 43 - 3 - HB2 LYS 115 - HE2 LYS 40 lone 1 74 - 1 - HB2 LYS 115 - HE2 LYS 43 lone 1 98 - 1 - HB3 GLU 41 - HE2 LYS 43 lone 1 77 - 1 - HB3 GLU 41 - HE2 LYS 39 lone 1 77 - 1 - HB3 LYS 115 - HE2 LYS 40 lone 1 78 - 1 - HB2 LYS 115 - HE3 LYS 43 lone 1 96 - 1 - HB3 GLU 41 - HE3 LYS 39 lone 1 76 - 1 - HB3 GLU 41 - HE3 LYS 43 lone 1 74 - 1 - HB2 GLU 41 - HE2 LYS 43 lone 1 73 - 1 - HB3 LYS 115 - HE2 LYS 43 lone 1 100 - 1 - HB2 LYS 123 - HE2 LYS 40 lone 1 78 - 1 - HB2 LYS 115 - HE2 LYS 73 lone 1 97 - 1 - HB3 LYS 115 - HE3 LYS 43 lone 1 99 - 1 - HB2 GLU 41 - HE2 LYS 39 lone 1 73 - 1 - HB2 GLU 41 - HE3 LYS 43 lone 1 70 - 1 - HB2 LYS 123 - HE2 LYS 43 lone 1 100 - 1 - HB2 GLU 41 - HE3 LYS 39 lone 1 73 - 1 - HB2 LYS 115 - HE3 LYS 73 lone 1 98 - 1 - HB2 LYS 123 - HE3 LYS 43 lone 1 99 - 1 - HB3 LYS 115 - HE2 LYS 73 lone 1 99 - 1 - HB2 LYS 115 - HE3 LYS 40 lone 1 64 - 1 - HB3 LYS 115 - HE3 LYS 73 lone 1 100 - 1 - HB3 LYS 115 - HE3 LYS 40 lone 1 68 - 1 - HB3 LYS 65 - HE2 LYS 43 lone 1 100 - 1 - HB2 LYS 65 - HE2 LYS 43 lone 1 100 - 1 - HB3 LYS 65 - HE3 LYS 73 lone 1 100 - 1 - HB3 LYS 65 - HE3 LYS 43 lone 1 99 - 1 - HB2 LYS 65 - HE3 LYS 43 lone 1 99 - 1 - HB2 LYS 65 - HE3 LYS 73 lone 1 100 - 1 - HB3 LYS 65 - HE2 LYS 73 lone 1 99 - 1 - HB2 LYS 65 - HE2 LYS 73 lone 1 99 - 1 - HB2 LYS 123 - HE3 LYS 40 lone 1 68 - 1 - HB3 LYS 65 - HE2 LYS 40 lone 1 78 - 1 - HB2 LYS 65 - HE2 LYS 40 lone 1 78 - 1 - HB3 LYS 17 - HE2 LYS 40 lone 1 62 - 1 - HB2 LEU 81 - HE2 LYS 39 lone 1 77 - 1 - HB2 LYS 123 - HE2 LYS 73 lone 1 99 - 1 - HB2 LEU 81 - HE3 LYS 39 lone 1 76 - 1 - HB2 LYS 123 - HE3 LYS 73 lone 1 100 - 1 - HB VAL 104 - HE2 LYS 39 lone 1 87 - 1 - HB VAL 104 - HE3 LYS 39 lone 1 86 - 1 - HB2 LEU 70 - HE2 LYS 43 lone 1 95 - 1 - HB2 LEU 70 - HE3 LYS 43 lone 1 93 - 1 - HB3 LYS 65 - HE3 LYS 40 lone 1 68 - 1 - HB2 LYS 65 - HE3 LYS 40 lone 1 68 - 1 - HB3 LYS 17 - HE3 LYS 40 lone 1 53 - 1 - HB2 LEU 127 - HE2 LYS 73 lone 1 99 - 1 - HB2 LEU 127 - HE3 LYS 73 lone 1 100 - 1 - HB3 LYS 17 - HE2 LYS 43 lone 1 87 - 1 - HB2 LEU 127 - HE3 LYS 39 lone 1 100 - 1 - HB2 LEU 127 - HE2 LYS 43 lone 1 100 - 1 - HB2 LEU 127 - HE2 LYS 39 lone 1 100 - 1 - HB2 LEU 127 - HE3 LYS 43 lone 1 99 - 1 - HB3 LYS 17 - HE3 LYS 43 lone 1 83 - 1 - HB3 LYS 17 - HE2 LYS 73 lone 1 85 - 1 - HB3 LYS 17 - HE3 LYS 73 lone 0 86 - 1 - HB3 MET 42 - HE2 LYS 40 lone 0 50 - 1 - HB2 LEU 70 - HE2 LYS 39 lone 0 96 - 0 - HB2 LEU 70 - HE3 LYS 39 lone 0 95 - 0 - HB2 LEU 127 - HE2 LYS 40 lone 0 78 - 1 - HB3 LYS 17 - HE2 LYS 39 lone 0 87 - 0 - HB3 LYS 17 - HE3 LYS 39 lone 0 86 - 0 - HB3 MET 42 - HE3 LYS 40 lone 0 43 - 1 - HB2 LEU 127 - HE3 LYS 40 lone 0 68 - 1 - HB2 LEU 70 - HE2 LYS 40 lone 0 71 - 1 - HB3 GLU 41 - HE3 LYS 73 lone 0 76 - 0 - HB3 GLU 41 - HE2 LYS 73 lone 0 75 - 0 - HB2 GLU 41 - HE3 LYS 73 lone 0 73 - 0 - HB2 GLU 41 - HE2 LYS 73 lone 0 71 - 0 - HB VAL 104 - HE2 LYS 40 lone 0 62 - 0 - HB VAL 29 - HE2 LYS 39 lone 0 61 - 0 - HB VAL 104 - HE2 LYS 43 lone 0 87 - 0 - HB VAL 29 - HE3 LYS 39 lone 0 61 - 0 - HB VAL 104 - HE3 LYS 43 lone 0 83 - 0 - HB VAL 104 - HE3 LYS 73 lone 0 86 - 0 - HB2 LEU 81 - HE2 LYS 43 lone 0 77 - 0 - HB VAL 104 - HE2 LYS 73 lone 0 85 - 0 - HB2 LEU 70 - HE3 LYS 40 lone 0 61 - 0 - HB2 LEU 81 - HE3 LYS 73 lone 0 76 - 0 - HB2 LEU 81 - HE3 LYS 43 lone 0 74 - 0 - HB2 LEU 81 - HE2 LYS 73 lone 0 75 - 0 - HB3 GLU 52 - HE2 LYS 39 lone 0 65 - 0 - HB3 GLU 52 - HE3 LYS 39 lone 0 65 - 0 - HB3 MET 42 - HE3 LYS 73 lone 0 73 - 0 - HB3 MET 42 - HE2 LYS 73 lone 0 71 - 0 - HB VAL 29 - HE2 LYS 43 lone 0 61 - 0 - HG2 MET 121 - HE2 LYS 39 lone 0 70 - 0 - HB VAL 29 - HE3 LYS 43 lone 0 58 - 0 - HG2 MET 121 - HE3 LYS 39 lone 0 69 - 0 - HB VAL 104 - HE3 LYS 40 lone 0 53 - 0 - HG2 MET 121 - HE2 LYS 43 lone 0 69 - 0 - HB ILE 15 - HE2 LYS 39 lone 0 61 - 0 - HB VAL 29 - HE2 LYS 40 lone 0 41 - 1 - HG2 MET 121 - HE3 LYS 73 lone 0 69 - 0 - HB VAL 29 - HE3 LYS 73 lone 0 61 - 0 - HB ILE 15 - HE3 LYS 39 lone 0 61 - 0 - HG2 MET 121 - HE2 LYS 73 lone 0 68 - 0 - HB VAL 29 - HE2 LYS 73 lone 0 60 - 0 - HB3 GLU 52 - HE2 LYS 43 lone 0 65 - 0 - HG2 MET 121 - HE3 LYS 43 lone 0 66 - 0 - HB3 GLU 52 - HE3 LYS 73 lone 0 65 - 0 - HB3 GLU 52 - HE3 LYS 43 lone 0 62 - 0 - HB3 GLU 52 - HE2 LYS 73 lone 0 64 - 0 - HB2 LEU 81 - HE2 LYS 40 lone 0 53 - 0 - HB ILE 15 - HE2 LYS 43 lone 0 61 - 0 - HB ILE 15 - HE3 LYS 73 lone 0 61 - 0 - HB ILE 15 - HE2 LYS 73 lone 0 60 - 0 - HB ILE 15 - HE3 LYS 43 lone 0 58 - 0 - HB VAL 29 - HE3 LYS 40 lone 0 35 - 0 - HB2 LEU 81 - HE3 LYS 40 lone 0 45 - 0 - HB3 GLU 52 - HE2 LYS 40 lone 0 44 - 0 - HG2 MET 121 - HE2 LYS 40 lone 0 47 - 0 - HB ILE 15 - HE2 LYS 40 lone 0 41 - 0 - HB3 GLU 52 - HE3 LYS 40 lone 0 37 - 0 - HG2 MET 121 - HE3 LYS 40 lone 0 40 - 0 - HB ILE 15 - HE3 LYS 40 lone 0 35 - 0 - Peak 3631 from cnoeabs.peaks (1.95, 2.98, 41.78 ppm; 3.39 A): 6 out of 128 assignments used, quality = 1.00: * HB3 LYS 39 + HE2 LYS 39 OK 79 100 - 79 - 5.0=31, 2.9/3642=7...(40) HB3 LYS 39 + HE3 LYS 39 OK 79 100 - 79 - 5.0=31, 2.9/3642=7...(40) HB3 LYS 40 + HE2 LYS 40 OK 64 77 - 83 - 5.0=32, 3711/3.0=8...(48) HB2 LYS 39 + HE2 LYS 39 OK 63 81 - 78 - 5.0=31, 2.9/3642=7...(39) HB2 LYS 39 + HE3 LYS 39 OK 62 80 - 78 - 5.0=31, 2.9/3642=7...(39) HB3 LYS 40 + HE3 LYS 40 OK 56 67 - 83 - 5.0=32, 3711/3.0=8...(48) HB3 LYS 40 - HE2 LYS 43 OK 32 100 - 32 - 2.7/3696=2, 2.7/3885=2...(16) HB3 LYS 40 - HE3 LYS 43 OK 30 98 - 31 - 2.7/3696=2, 1.8/3666=2...(14) HB3 LYS 40 - HE2 LYS 73 OK 19 99 - 19 - 2.7/3696=1, 2.7/3885=1 HB3 LYS 40 - HE3 LYS 73 OK 17 99 - 17 - 2.7/3696=1, 1.8/3666=1 HB3 LYS 40 - HE3 LYS 39 OK 16 99 - 16 - 4.0/1257=1 HB3 LYS 40 - HE2 LYS 39 OK 16 100 - 16 - 4.0/1257=1 HB3 LYS 39 - HE2 LYS 40 OK 13 78 - 17 - 7474/7.5=2, 3586=1, 3651/6.4=1 HB3 LYS 39 - HE2 LYS 43 OK 11 100 - 11 - HB3 LYS 39 - HE3 LYS 40 OK 11 68 - 16 - 7474/7.5=2, 3586=1...(4) HB3 LYS 39 - HE3 LYS 43 OK 11 99 - 11 - HB2 LYS 39 - HE2 LYS 40 poor 9 56 - 16 - 4.3/1257=2, 1.8/3586=1 HB2 LYS 39 - HE2 LYS 43 poor 8 80 - 10 - HB2 LYS 39 - HE3 LYS 43 poor 8 77 - 10 - HB2 LYS 39 - HE3 LYS 40 poor 7 48 - 15 - 4.3/1257=2 HB2 LEU 70 - HE3 LYS 73 lone 6 98 - 7 - ~11077=2, 5034/6.7=2, ~11661=1 HB2 LEU 70 - HE2 LYS 73 lone 6 97 - 7 - ~11077=2, 5034/6.7=2, ~11661=1 HB3 LYS 39 - HE2 LYS 73 lone 6 99 - 6 - HB3 LYS 39 - HE3 LYS 73 lone 6 100 - 6 - HB2 LYS 39 - HE2 LYS 73 lone 4 79 - 6 - HB2 LYS 39 - HE3 LYS 73 lone 4 80 - 5 - HB3 MET 42 - HE2 LYS 39 lone 4 100 - 4 - 8060/6.6=3 HB3 MET 42 - HE3 LYS 39 lone 4 100 - 4 - 8060/6.6=3 HB2 LYS 123 - HE2 LYS 39 lone 3 81 - 4 - HB2 LYS 123 - HE3 LYS 39 lone 3 80 - 4 - HB3 GLU 41 - HE2 LYS 40 lone 3 78 - 3 - HB3 MET 42 - HE2 LYS 43 lone 3 100 - 3 - 247/7.0=2 HB2 GLU 41 - HE2 LYS 40 lone 3 78 - 3 - HB3 MET 42 - HE3 LYS 43 lone 3 98 - 3 - 247/7.0=2 HB3 GLU 41 - HE3 LYS 40 lone 2 68 - 3 - HB2 GLU 41 - HE3 LYS 40 lone 2 68 - 3 - HB3 GLU 41 - HE2 LYS 43 lone 2 100 - 2 - HB2 GLU 41 - HE2 LYS 43 lone 2 100 - 2 - HB3 GLU 41 - HE3 LYS 43 lone 2 99 - 2 - HB2 GLU 41 - HE3 LYS 43 lone 2 98 - 2 - HB3 GLU 41 - HE2 LYS 39 lone 1 100 - 1 - HB2 GLU 41 - HE2 LYS 39 lone 1 100 - 1 - HB3 GLU 41 - HE3 LYS 39 lone 1 100 - 1 - HB2 GLU 41 - HE3 LYS 39 lone 1 100 - 1 - HB3 LYS 115 - HE2 LYS 39 lone 1 81 - 1 - HB3 LYS 115 - HE3 LYS 39 lone 1 80 - 1 - HB2 LYS 65 - HE2 LYS 39 lone 1 81 - 1 - HB2 LYS 65 - HE3 LYS 39 lone 1 80 - 1 - HB3 LYS 65 - HE2 LYS 39 lone 1 77 - 1 - HB3 LYS 65 - HE3 LYS 39 lone 1 76 - 1 - HB3 MET 42 - HE2 LYS 40 lone 1 78 - 1 - HB VAL 104 - HE3 LYS 39 lone 1 100 - 1 - HB VAL 104 - HE2 LYS 39 lone 1 100 - 1 - HB3 MET 42 - HE3 LYS 40 lone 1 68 - 1 - HB3 LYS 115 - HE2 LYS 43 lone 1 80 - 1 - HB2 LYS 123 - HE2 LYS 43 lone 1 80 - 1 - HB2 LYS 123 - HE2 LYS 40 lone 1 56 - 1 - HB2 LEU 70 - HE2 LYS 43 lone 1 98 - 1 - HB2 LEU 70 - HE3 LYS 43 lone 1 96 - 1 - HB3 LYS 115 - HE3 LYS 43 lone 1 77 - 1 - HB3 LYS 115 - HE2 LYS 40 lone 1 56 - 1 - HB2 LYS 123 - HE3 LYS 43 lone 1 77 - 1 - HB3 LYS 115 - HE2 LYS 73 lone 1 79 - 1 - HB3 LYS 115 - HE3 LYS 73 lone 1 80 - 1 - HB2 LYS 65 - HE2 LYS 43 lone 1 80 - 1 - HB2 LYS 65 - HE3 LYS 73 lone 1 80 - 1 - HB2 LYS 65 - HE3 LYS 43 lone 1 77 - 1 - HB2 LYS 65 - HE2 LYS 73 lone 1 79 - 1 - HB3 LYS 65 - HE2 LYS 43 lone 1 77 - 1 - HB3 LYS 65 - HE3 LYS 73 lone 1 76 - 1 - HB2 LYS 123 - HE3 LYS 40 lone 1 48 - 1 - HB3 LYS 65 - HE2 LYS 73 lone 1 75 - 1 - HB3 LYS 65 - HE3 LYS 43 lone 1 74 - 1 - HB VAL 29 - HE2 LYS 39 lone 1 99 - 1 - HB VAL 29 - HE3 LYS 39 lone 1 98 - 1 - HB3 LYS 115 - HE3 LYS 40 lone 1 48 - 1 - HB2 LYS 65 - HE2 LYS 40 lone 1 56 - 1 - HB2 LYS 123 - HE2 LYS 73 lone 1 79 - 1 - HB2 LYS 123 - HE3 LYS 73 lone 1 80 - 1 - HB2 LEU 70 - HE2 LYS 39 lone 1 98 - 1 - HB2 LEU 70 - HE3 LYS 39 lone 1 98 - 1 - HB3 LYS 65 - HE2 LYS 40 lone 1 53 - 1 - HB3 GLU 41 - HE3 LYS 73 lone 0 100 - 0 - HB2 GLU 41 - HE3 LYS 73 lone 0 100 - 0 - HB3 GLU 41 - HE2 LYS 73 lone 0 99 - 0 - HB2 GLU 41 - HE2 LYS 73 lone 0 99 - 0 - HB2 LEU 127 - HE2 LYS 73 lone 1 75 - 1 - HB2 LEU 127 - HE3 LYS 73 lone 0 76 - 1 - HB VAL 104 - HE2 LYS 40 lone 0 78 - 1 - HB VAL 29 - HE2 LYS 43 lone 0 99 - 0 - HB2 LYS 65 - HE3 LYS 40 lone 1 48 - 1 - HB2 LEU 127 - HE2 LYS 43 lone 0 77 - 1 - HB VAL 29 - HE3 LYS 43 lone 0 97 - 0 - HB VAL 29 - HE2 LYS 40 lone 0 75 - 1 - HB3 GLU 52 - HE2 LYS 39 lone 0 99 - 0 - HB3 GLU 52 - HE3 LYS 39 lone 0 99 - 0 - HB3 LYS 65 - HE3 LYS 40 lone 0 45 - 1 - HB2 LEU 127 - HE2 LYS 39 lone 0 77 - 1 - HB2 LEU 127 - HE3 LYS 39 lone 0 76 - 1 - HB2 LEU 127 - HE3 LYS 43 lone 0 74 - 1 - HB2 LEU 70 - HE2 LYS 40 lone 0 74 - 1 - HB3 GLU 128 - HE2 LYS 39 lone 0 98 - 0 - HB3 GLU 128 - HE3 LYS 39 lone 0 98 - 0 - HB3 MET 42 - HE3 LYS 73 lone 0 100 - 0 - HB3 MET 42 - HE2 LYS 73 lone 0 99 - 0 - HB VAL 104 - HE2 LYS 43 lone 0 100 - 0 - HB VAL 104 - HE3 LYS 43 lone 0 98 - 0 - HB VAL 29 - HE3 LYS 73 lone 0 98 - 0 - HB3 GLU 128 - HE2 LYS 43 lone 0 98 - 0 - HB VAL 29 - HE2 LYS 73 lone 0 98 - 0 - HB3 GLU 128 - HE3 LYS 43 lone 0 96 - 0 - HB VAL 29 - HE3 LYS 40 lone 0 65 - 1 - HB3 GLU 128 - HE3 LYS 73 lone 0 98 - 0 - HB VAL 104 - HE3 LYS 40 lone 0 68 - 1 - HB VAL 104 - HE3 LYS 73 lone 0 100 - 0 - HB3 GLU 128 - HE2 LYS 73 lone 0 97 - 0 - HB VAL 104 - HE2 LYS 73 lone 0 99 - 0 - HB3 GLU 52 - HE2 LYS 43 lone 0 99 - 0 - HB3 GLU 52 - HE3 LYS 43 lone 0 97 - 0 - HB3 GLU 52 - HE3 LYS 73 lone 0 99 - 0 - HB3 GLU 52 - HE2 LYS 73 lone 0 98 - 0 - HB3 GLU 128 - HE2 LYS 40 lone 0 74 - 0 - HB2 LEU 70 - HE3 LYS 40 lone 0 64 - 1 - HB2 LEU 127 - HE2 LYS 40 lone 0 53 - 1 - HB3 GLU 52 - HE2 LYS 40 lone 0 76 - 0 - HB3 GLU 128 - HE3 LYS 40 lone 0 64 - 0 - HB2 LEU 127 - HE3 LYS 40 lone 0 45 - 1 - HB3 GLU 52 - HE3 LYS 40 lone 0 66 - 0 - Peak 3632 from cnoeabs.peaks (1.46, 2.98, 41.78 ppm; 2.86 A): 2 out of 120 assignments used, quality = 0.94: HG2 LYS 39 + HE3 LYS 39 OK 76 100 - 76 - 3.6=51, 3612/3.0=5...(28) * HG2 LYS 39 + HE2 LYS 39 OK 76 100 - 76 - 3.6=51, 3612/3.0=5...(28) HG3 LYS 20 - HE2 LYS 43 OK 13 61 - 22 - ~3071=2, ~3070=2...(4) HG3 LYS 20 - HE3 LYS 43 OK 12 58 - 21 - 1.8/3071=2, ~3071=1, ~3070=1 HG3 LYS 20 - HE2 LYS 73 OK 12 60 - 20 - ~3071=1, ~3070=1...(5) HG3 LYS 20 - HE3 LYS 73 OK 12 61 - 19 - 1.8/3071=1, 3078/2.9=1 HG2 LYS 39 - HE2 LYS 40 lone 6 78 - 8 - 7475/7.5=2 HG2 LYS 96 - HE2 LYS 73 lone 6 68 - 9 - HG2 LYS 96 - HE3 LYS 73 lone 6 69 - 9 - HG2 LYS 39 - HE2 LYS 43 lone 6 100 - 6 - HG2 LYS 96 - HE2 LYS 43 lone 6 69 - 8 - HG2 LYS 39 - HE3 LYS 43 lone 5 99 - 6 - HG2 LYS 39 - HE3 LYS 40 lone 5 68 - 8 - 7475/7.5=2 HG2 LYS 96 - HE3 LYS 43 lone 5 66 - 8 - HG3 LYS 44 - HE2 LYS 39 lone 5 61 - 8 - HG3 LYS 44 - HE3 LYS 39 lone 5 61 - 8 - HG3 LYS 20 - HE2 LYS 40 poor 4 41 - 11 - 1.8/3070=1 HG3 LYS 44 - HE2 LYS 43 lone 4 61 - 7 - HG3 LYS 44 - HE2 LYS 73 lone 4 60 - 7 - HG3 LYS 44 - HE3 LYS 73 lone 4 61 - 6 - HG3 LYS 44 - HE3 LYS 43 lone 4 58 - 7 - HG3 LYS 20 - HE3 LYS 40 poor 4 35 - 11 - 1.8/3071=1 HB3 LEU 38 - HE2 LYS 39 lone 3 99 - 3 - 3562/6.6=1 HB3 LEU 38 - HE3 LYS 39 lone 3 99 - 3 - 3562/6.6=1 HG2 LYS 39 - HE2 LYS 73 lone 3 99 - 3 - HG2 LYS 96 - HE3 LYS 39 lone 3 69 - 5 - HG2 LYS 96 - HE2 LYS 39 lone 3 70 - 5 - HG2 LYS 39 - HE3 LYS 73 lone 3 100 - 3 - HG2 LYS 96 - HE2 LYS 40 lone 3 47 - 5 - HG2 LYS 96 - HE3 LYS 40 lone 2 40 - 5 - HG3 LYS 20 - HE2 LYS 39 lone 2 61 - 3 - HG3 LYS 20 - HE3 LYS 39 lone 2 61 - 3 - HB3 LEU 38 - HE2 LYS 40 lone 1 76 - 1 - HB3 LEU 38 - HE3 LYS 40 lone 1 66 - 1 - HB3 LEU 38 - HE2 LYS 43 lone 1 99 - 1 - HB3 LEU 6 - HE2 LYS 43 lone 1 100 - 1 - HB3 LEU 38 - HE3 LYS 43 lone 1 97 - 1 - HB3 LEU 6 - HE3 LYS 43 lone 1 99 - 1 - HG LEU 4 - HE3 LYS 73 lone 1 98 - 1 - HG LEU 4 - HE2 LYS 73 lone 1 97 - 1 - HB3 LEU 38 - HE3 LYS 73 lone 1 99 - 1 - HB3 LEU 38 - HE2 LYS 73 lone 1 98 - 1 - HB2 LEU 74 - HE2 LYS 39 lone 0 94 - 0 - HB2 LEU 74 - HE3 LYS 39 lone 0 93 - 0 - HB3 LEU 6 - HE2 LYS 39 lone 0 100 - 0 - HB3 LEU 6 - HE3 LYS 39 lone 0 100 - 0 - HG2 LYS 106 - HE2 LYS 39 lone 0 100 - 0 - HG2 LYS 106 - HE3 LYS 39 lone 0 99 - 0 - HB3 LEU 6 - HE3 LYS 73 lone 0 100 - 0 - HG12 ILE 7 - HE2 LYS 39 lone 0 100 - 0 - HG12 ILE 7 - HE3 LYS 39 lone 0 100 - 0 - HB3 LEU 6 - HE2 LYS 73 lone 0 99 - 0 - HG LEU 4 - HE2 LYS 43 lone 0 98 - 0 - HG3 LYS 44 - HE2 LYS 40 lone 0 41 - 1 - HG LEU 4 - HE3 LYS 43 lone 0 96 - 0 - HG2 LYS 49 - HE2 LYS 39 lone 0 100 - 0 - HG3 LYS 49 - HE2 LYS 39 lone 0 100 - 0 - HG2 LYS 49 - HE3 LYS 39 lone 0 100 - 0 - HG3 LYS 49 - HE3 LYS 39 lone 0 100 - 0 - HB2 LEU 74 - HE3 LYS 73 lone 0 93 - 0 - HB2 LEU 74 - HE2 LYS 73 lone 0 92 - 0 - HG2 LYS 49 - HE2 LYS 73 lone 0 99 - 0 - HG3 LYS 49 - HE2 LYS 73 lone 0 99 - 0 - HG3 LYS 49 - HE3 LYS 73 lone 0 100 - 0 - HG2 LYS 49 - HE3 LYS 73 lone 0 100 - 0 - HG2 LYS 49 - HE2 LYS 43 lone 0 100 - 0 - HG3 LYS 49 - HE2 LYS 43 lone 0 100 - 0 - HG3 LYS 44 - HE3 LYS 40 lone 0 35 - 1 - HG2 LYS 49 - HE3 LYS 43 lone 0 99 - 0 - HG3 LYS 49 - HE3 LYS 43 lone 0 99 - 0 - HG12 ILE 57 - HE2 LYS 39 lone 0 100 - 0 - HG12 ILE 57 - HE3 LYS 39 lone 0 99 - 0 - HG2 LYS 106 - HE2 LYS 40 lone 0 77 - 0 - HG LEU 4 - HE2 LYS 39 lone 0 98 - 0 - HG LEU 4 - HE3 LYS 39 lone 0 98 - 0 - HG3 ARG 30 - HE2 LYS 39 lone 0 99 - 0 - HG3 ARG 30 - HE3 LYS 39 lone 0 98 - 0 - HG LEU 80 - HE2 LYS 39 lone 0 73 - 0 - HG12 ILE 7 - HE2 LYS 43 lone 0 100 - 0 - HG LEU 80 - HE3 LYS 39 lone 0 73 - 0 - HG12 ILE 7 - HE3 LYS 43 lone 0 98 - 0 - HG12 ILE 7 - HE2 LYS 73 lone 0 99 - 0 - HG12 ILE 7 - HE3 LYS 73 lone 0 100 - 0 - HG3 ARG 30 - HE2 LYS 43 lone 0 99 - 0 - HG2 LYS 106 - HE2 LYS 43 lone 0 100 - 0 - HG3 ARG 30 - HE3 LYS 73 lone 0 98 - 0 - HG3 ARG 30 - HE3 LYS 43 lone 0 97 - 0 - HG2 LYS 106 - HE3 LYS 43 lone 0 98 - 0 - HG2 LYS 106 - HE3 LYS 73 lone 0 99 - 0 - HG3 ARG 30 - HE2 LYS 73 lone 0 98 - 0 - HG2 LYS 106 - HE2 LYS 73 lone 0 99 - 0 - HB3 LEU 6 - HE2 LYS 40 lone 0 78 - 0 - HB2 LEU 74 - HE2 LYS 43 lone 0 94 - 0 - HG LEU 4 - HE2 LYS 40 lone 0 74 - 0 - HB2 LEU 74 - HE3 LYS 43 lone 0 91 - 0 - HG12 ILE 57 - HE2 LYS 43 lone 0 100 - 0 - HG12 ILE 57 - HE3 LYS 73 lone 0 99 - 0 - HG12 ILE 57 - HE2 LYS 73 lone 0 99 - 0 - HG12 ILE 57 - HE3 LYS 43 lone 0 98 - 0 - HB3 LEU 6 - HE3 LYS 40 lone 0 68 - 0 - HG12 ILE 7 - HE2 LYS 40 lone 0 78 - 0 - HG LEU 4 - HE3 LYS 40 lone 0 64 - 0 - HG3 LYS 49 - HE2 LYS 40 lone 0 78 - 0 - HG2 LYS 49 - HE2 LYS 40 lone 0 78 - 0 - HG2 LYS 106 - HE3 LYS 40 lone 0 67 - 0 - HG12 ILE 57 - HE2 LYS 40 lone 0 77 - 0 - HG LEU 80 - HE3 LYS 73 lone 0 73 - 0 - HG12 ILE 7 - HE3 LYS 40 lone 0 68 - 0 - HG LEU 80 - HE2 LYS 73 lone 0 71 - 0 - HB2 LEU 74 - HE2 LYS 40 lone 0 69 - 0 - HG3 LYS 49 - HE3 LYS 40 lone 0 68 - 0 - HG2 LYS 49 - HE3 LYS 40 lone 0 68 - 0 - HG LEU 80 - HE2 LYS 43 lone 0 73 - 0 - HG3 ARG 30 - HE2 LYS 40 lone 0 75 - 0 - HG LEU 80 - HE3 LYS 43 lone 0 70 - 0 - HG12 ILE 57 - HE3 LYS 40 lone 0 67 - 0 - HG3 ARG 30 - HE3 LYS 40 lone 0 65 - 0 - HB2 LEU 74 - HE3 LYS 40 lone 0 59 - 0 - HG LEU 80 - HE2 LYS 40 lone 0 50 - 0 - HG LEU 80 - HE3 LYS 40 lone 0 43 - 0 - Peak 3633 from cnoeabs.peaks (1.70, 2.98, 41.78 ppm; 2.40 A): 12 out of 192 assignments used, quality = 1.00: HD3 LYS 39 + HE2 LYS 39 OK 65 98 - 67 - 3.0=54, 1.8/3617=5...(12) HD3 LYS 39 + HE3 LYS 39 OK 65 98 - 67 - 3.0=54, 1.8/3617=5...(12) HD2 LYS 39 + HE2 LYS 39 OK 65 97 - 67 - 3.0=54, 1.8/3617=5...(12) HD2 LYS 39 + HE3 LYS 39 OK 64 96 - 67 - 3.0=54, 1.8/3617=5...(12) HD2 LYS 73 + HE3 LYS 73 OK 56 80 - 70 - 2.9=56, 3.0/5197=4...(14) * HG3 LYS 39 + HE2 LYS 39 OK 56 100 - 56 - 3.6=30, 1.8/3642=5...(16) HG3 LYS 39 + HE3 LYS 39 OK 56 100 - 56 - 3.6=30, 1.8/3642=5...(16) HD2 LYS 73 + HE2 LYS 73 OK 56 79 - 71 - 2.9=56, 3.0/5197=4...(14) HD3 LYS 73 + HE3 LYS 73 OK 54 76 - 70 - 2.9=56, 3.0/5197=4...(14) HD3 LYS 73 + HE2 LYS 73 OK 53 75 - 71 - 2.9=56, 3.0/5197=4...(14) HD3 LYS 43 + HE2 LYS 43 OK 52 77 - 67 - 3.0=52, 2.9/3884=3...(11) HD3 LYS 43 + HE3 LYS 43 OK 49 74 - 66 - 3.0=52, 2.9/3884=3...(11) HD2 LYS 40 - HE2 LYS 40 OK 32 47 - 69 - 3.0=53, 1.8/3716=3...(17) HD3 LYS 40 - HE2 LYS 40 OK 30 44 - 69 - 3.0=53, 1.8/3716=3...(17) HD2 LYS 40 - HE3 LYS 40 OK 27 40 - 69 - 3.0=53, 1.8/3716=3...(17) HD3 LYS 40 - HE3 LYS 40 OK 26 37 - 69 - 3.0=53, 1.8/3716=3...(17) HD2 LYS 20 - HE2 LYS 43 OK 15 89 - 17 - 3.0/5198=1, 3.0/3884=1 HD3 LYS 20 - HE2 LYS 43 OK 14 87 - 16 - 3.0/5198=1, 3.0/3884=1 HD2 LYS 20 - HE2 LYS 73 OK 13 88 - 15 - 3.0/5198=1 HD3 LYS 20 - HE2 LYS 73 OK 13 85 - 15 - 3.0/5198=1 HD2 LYS 20 - HE3 LYS 43 OK 13 86 - 15 - HD2 LYS 20 - HE3 LYS 73 OK 12 89 - 14 - HD3 LYS 20 - HE3 LYS 43 OK 12 83 - 15 - HD3 LYS 20 - HE3 LYS 73 OK 12 86 - 14 - HD2 LYS 73 - HE2 LYS 43 OK 10 80 - 13 - 3.0/5197=1, 3.0/5171=1 HD3 LYS 73 - HE2 LYS 43 poor 10 77 - 13 - 3.0/5197=1, 3.0/5171=1 HD2 LYS 73 - HE3 LYS 43 poor 9 77 - 12 - 3.0/5197=1, 3.0/5171=1 HD3 LYS 73 - HE3 LYS 43 poor 9 74 - 12 - 3.0/5197=1, 3.0/5171=1 HD3 LYS 43 - HE2 LYS 73 poor 8 75 - 10 - HD3 LYS 16 - HE2 LYS 40 poor 7 66 - 11 - HD2 LYS 40 - HE2 LYS 43 poor 7 69 - 11 - HD3 LYS 43 - HE3 LYS 73 lone 7 76 - 9 - HD3 LYS 40 - HE2 LYS 43 poor 7 65 - 11 - HD2 LYS 40 - HE3 LYS 43 poor 7 66 - 10 - HD2 LYS 16 - HE2 LYS 40 poor 7 59 - 11 - HD3 LYS 40 - HE3 LYS 43 poor 6 62 - 10 - HD3 LYS 16 - HE3 LYS 40 poor 6 57 - 11 - HD2 LYS 20 - HE2 LYS 40 lone 5 64 - 8 - HD2 LYS 16 - HE3 LYS 40 poor 5 50 - 11 - HD3 LYS 20 - HE2 LYS 40 lone 5 62 - 8 - HD2 LYS 20 - HE3 LYS 40 lone 5 55 - 8 - HD2 LYS 44 - HE3 LYS 39 lone 5 100 - 5 - HD2 LYS 44 - HE2 LYS 39 lone 5 100 - 5 - HD3 LYS 44 - HE3 LYS 39 lone 5 99 - 5 - HD3 LYS 44 - HE2 LYS 39 lone 5 99 - 5 - HD3 LYS 20 - HE3 LYS 40 lone 4 53 - 8 - HD2 LYS 40 - HE2 LYS 73 lone 4 68 - 6 - HD3 LYS 96 - HE3 LYS 73 lone 4 73 - 6 - HD3 LYS 40 - HE2 LYS 73 lone 4 64 - 6 - HD2 LYS 40 - HE3 LYS 73 lone 4 69 - 6 - HD3 LYS 96 - HE2 LYS 73 lone 4 71 - 6 - HD3 LYS 40 - HE3 LYS 73 lone 4 65 - 6 - HG3 LYS 39 - HE2 LYS 43 lone 4 100 - 4 - HD3 LYS 43 - HE2 LYS 40 lone 4 53 - 7 - HD2 LYS 44 - HE2 LYS 43 lone 4 100 - 4 - HD2 LYS 96 - HE3 LYS 73 lone 4 65 - 6 - HD3 LYS 44 - HE2 LYS 43 lone 4 99 - 4 - HG3 LYS 39 - HE3 LYS 43 lone 4 99 - 4 - HD2 LYS 44 - HE2 LYS 73 lone 4 99 - 4 - HD2 LYS 44 - HE3 LYS 73 lone 4 100 - 4 - HD2 LYS 44 - HE3 LYS 43 lone 4 98 - 4 - HD2 LYS 96 - HE2 LYS 73 lone 4 64 - 6 - HD3 LYS 44 - HE3 LYS 73 lone 4 99 - 4 - HD3 LYS 44 - HE2 LYS 73 lone 4 98 - 4 - HG3 LYS 39 - HE2 LYS 40 lone 4 78 - 5 - HD3 LYS 44 - HE3 LYS 43 lone 4 97 - 4 - HD3 LYS 96 - HE2 LYS 43 lone 4 73 - 5 - HD3 LYS 96 - HE3 LYS 43 lone 3 70 - 5 - HD2 LYS 40 - HE3 LYS 39 lone 3 69 - 5 - HD2 LYS 40 - HE2 LYS 39 lone 3 70 - 5 - HD3 LYS 43 - HE3 LYS 40 lone 3 45 - 7 - HD2 LYS 96 - HE2 LYS 43 lone 3 65 - 5 - HD3 LYS 40 - HE3 LYS 39 lone 3 65 - 5 - HD3 LYS 40 - HE2 LYS 39 lone 3 65 - 5 - HD2 LYS 96 - HE3 LYS 43 lone 3 62 - 5 - HG3 LYS 39 - HE3 LYS 40 lone 3 68 - 4 - HD3 LYS 39 - HE2 LYS 43 lone 3 98 - 3 - HD2 LYS 39 - HE2 LYS 43 lone 3 97 - 3 - HD3 LYS 39 - HE3 LYS 43 lone 2 96 - 3 - HD2 LYS 39 - HE3 LYS 43 lone 2 94 - 3 - HG3 LYS 39 - HE2 LYS 73 lone 2 99 - 2 - HG3 LYS 39 - HE3 LYS 73 lone 2 100 - 2 - HD2 LYS 73 - HE2 LYS 39 lone 2 81 - 3 - HD2 LYS 73 - HE3 LYS 39 lone 2 80 - 3 - HD3 LYS 39 - HE2 LYS 40 lone 2 74 - 3 - HD2 LYS 39 - HE2 LYS 40 lone 2 72 - 3 - HD3 LYS 73 - HE2 LYS 39 lone 2 77 - 3 - HD3 LYS 73 - HE3 LYS 39 lone 2 76 - 3 - HD2 LYS 73 - HE2 LYS 40 lone 2 56 - 4 - HG3 LYS 123 - HE3 LYS 39 lone 2 100 - 2 - HG3 LYS 123 - HE2 LYS 39 lone 2 100 - 2 - HD3 LYS 73 - HE2 LYS 40 lone 2 53 - 4 - HD2 LYS 73 - HE3 LYS 40 lone 2 48 - 4 - HD3 LYS 96 - HE2 LYS 39 lone 2 73 - 2 - HD3 LYS 39 - HE2 LYS 73 lone 2 97 - 2 - HD3 LYS 96 - HE3 LYS 39 lone 2 73 - 2 - HD3 LYS 39 - HE3 LYS 73 lone 2 98 - 2 - HD2 LYS 20 - HE3 LYS 39 lone 2 89 - 2 - HD2 LYS 20 - HE2 LYS 39 lone 2 90 - 2 - HD2 LYS 39 - HE2 LYS 73 lone 2 96 - 2 - HD2 LYS 39 - HE3 LYS 73 lone 2 96 - 2 - HD3 LYS 73 - HE3 LYS 40 lone 2 45 - 4 - HD3 LYS 20 - HE2 LYS 39 lone 2 87 - 2 - HD3 LYS 20 - HE3 LYS 39 lone 2 86 - 2 - HD3 LYS 43 - HE2 LYS 39 lone 2 77 - 2 - HD3 LYS 43 - HE3 LYS 39 lone 2 76 - 2 - HD3 LYS 39 - HE3 LYS 40 lone 2 64 - 3 - HD2 LYS 39 - HE3 LYS 40 lone 2 63 - 3 - HD2 LYS 96 - HE2 LYS 39 lone 2 65 - 2 - HD2 LYS 96 - HE3 LYS 39 lone 2 65 - 2 - HD3 LYS 96 - HE2 LYS 40 lone 1 50 - 3 - HD2 LYS 96 - HE2 LYS 40 lone 1 44 - 3 - HD3 LYS 96 - HE3 LYS 40 lone 1 43 - 3 - HD2 LYS 96 - HE3 LYS 40 lone 1 37 - 3 - HD3 LYS 16 - HE2 LYS 73 lone 1 90 - 1 - HD3 LYS 16 - HE3 LYS 73 lone 1 91 - 1 - HD2 LYS 16 - HE2 LYS 73 lone 1 82 - 1 - HD2 LYS 16 - HE3 LYS 73 lone 1 83 - 1 - HD3 LYS 16 - HE2 LYS 43 lone 1 92 - 1 - HD3 LYS 16 - HE3 LYS 43 lone 1 89 - 1 - HD2 LYS 16 - HE2 LYS 43 lone 1 84 - 1 - HG12 ILE 71 - HE2 LYS 73 lone 1 98 - 1 - HD2 LYS 16 - HE3 LYS 43 lone 1 80 - 1 - HG12 ILE 71 - HE3 LYS 73 lone 1 98 - 1 - HD3 LYS 16 - HE3 LYS 39 lone 0 91 - 0 - HG LEU 74 - HE2 LYS 73 lone 0 98 - 0 - HD3 LYS 16 - HE2 LYS 39 lone 0 92 - 0 - HG LEU 74 - HE3 LYS 73 lone 0 98 - 0 - HG3 LYS 123 - HE2 LYS 43 lone 0 100 - 0 - HD2 LYS 44 - HE2 LYS 40 lone 0 78 - 1 - HD2 LYS 16 - HE3 LYS 39 lone 0 83 - 0 - HD2 LYS 16 - HE2 LYS 39 lone 0 84 - 0 - HG3 LYS 123 - HE3 LYS 43 lone 0 99 - 0 - HD3 LYS 44 - HE2 LYS 40 lone 0 76 - 1 - HD2 LYS 44 - HE3 LYS 40 lone 0 68 - 1 - HG3 LYS 123 - HE2 LYS 73 lone 0 99 - 0 - HD3 LYS 44 - HE3 LYS 40 lone 0 66 - 1 - HG3 LYS 123 - HE3 LYS 73 lone 0 100 - 0 - HG3 LYS 123 - HE2 LYS 40 lone 0 78 - 0 - HD2 LYS 17 - HE2 LYS 43 lone 0 65 - 0 - HG3 LYS 123 - HE3 LYS 40 lone 0 68 - 0 - HD2 LYS 17 - HE2 LYS 40 lone 0 44 - 1 - HD2 LYS 17 - HE3 LYS 43 lone 0 62 - 0 - HG LEU 74 - HE3 LYS 39 lone 0 98 - 0 - HG LEU 74 - HE2 LYS 39 lone 0 99 - 0 - HD2 LYS 17 - HE3 LYS 40 lone 0 37 - 1 - HG12 ILE 71 - HE2 LYS 43 lone 0 99 - 0 - HG12 ILE 71 - HE3 LYS 39 lone 0 98 - 0 - HG12 ILE 71 - HE2 LYS 39 lone 0 99 - 0 - HG12 ILE 71 - HE3 LYS 43 lone 0 97 - 0 - HG LEU 74 - HE2 LYS 43 lone 0 99 - 0 - HG LEU 74 - HE3 LYS 43 lone 0 97 - 0 - HB ILE 56 - HE2 LYS 43 lone 0 92 - 0 - HB ILE 56 - HE3 LYS 43 lone 0 89 - 0 - HD2 LYS 17 - HE2 LYS 73 lone 0 64 - 0 - HD2 LYS 17 - HE3 LYS 73 lone 0 65 - 0 - HB ILE 56 - HE3 LYS 73 lone 0 91 - 0 - HB ILE 56 - HE2 LYS 73 lone 0 90 - 0 - HB3 LYS 106 - HE2 LYS 39 lone 0 73 - 0 - HB ILE 56 - HE2 LYS 39 lone 0 92 - 0 - HB ILE 56 - HE3 LYS 39 lone 0 91 - 0 - HB3 LYS 106 - HE3 LYS 39 lone 0 73 - 0 - HD2 LYS 17 - HE2 LYS 39 lone 0 65 - 0 - HD2 LYS 17 - HE3 LYS 39 lone 0 65 - 0 - HG LEU 74 - HE2 LYS 40 lone 0 75 - 0 - HB2 LYS 106 - HE2 LYS 39 lone 0 65 - 0 - HG12 ILE 71 - HE2 LYS 40 lone 0 75 - 0 - HB2 LYS 106 - HE3 LYS 39 lone 0 65 - 0 - HB3 LYS 106 - HE2 LYS 43 lone 0 73 - 0 - HB3 LYS 106 - HE2 LYS 73 lone 0 71 - 0 - HB3 LYS 106 - HE3 LYS 73 lone 0 73 - 0 - HB3 LYS 106 - HE3 LYS 43 lone 0 70 - 0 - HB ILE 54 - HE3 LYS 73 lone 0 69 - 0 - HB ILE 54 - HE2 LYS 39 lone 0 70 - 0 - HB ILE 54 - HE2 LYS 73 lone 0 68 - 0 - HB ILE 54 - HE3 LYS 39 lone 0 69 - 0 - HB ILE 54 - HE2 LYS 43 lone 0 69 - 0 - HB2 LYS 106 - HE2 LYS 43 lone 0 65 - 0 - HG12 ILE 71 - HE3 LYS 40 lone 0 65 - 0 - HB2 LYS 106 - HE2 LYS 73 lone 0 64 - 0 - HB2 LYS 106 - HE3 LYS 73 lone 0 65 - 0 - HG LEU 74 - HE3 LYS 40 lone 0 65 - 0 - HB ILE 54 - HE3 LYS 43 lone 0 66 - 0 - HB2 LYS 106 - HE3 LYS 43 lone 0 62 - 0 - HB ILE 56 - HE2 LYS 40 lone 0 66 - 0 - HB3 LYS 106 - HE2 LYS 40 lone 0 50 - 0 - HB2 LYS 106 - HE2 LYS 40 lone 0 44 - 0 - HB ILE 56 - HE3 LYS 40 lone 0 57 - 0 - HB ILE 54 - HE2 LYS 40 lone 0 47 - 0 - HB ILE 54 - HE3 LYS 40 lone 0 40 - 0 - HB3 LYS 106 - HE3 LYS 40 lone 0 43 - 0 - HB2 LYS 106 - HE3 LYS 40 lone 0 37 - 0 - Peak 3634 from cnoeabs.peaks (1.71, 2.98, 41.78 ppm; 2.40 A): 6 out of 120 assignments used, quality = 1.00: * HD2 LYS 39 + HE2 LYS 39 OK 67 100 - 67 - 3.0=54, 3617/1.8=5...(12) HD3 LYS 39 + HE2 LYS 39 OK 67 100 - 67 - 3.0=54, 3617/1.8=5...(12) HD2 LYS 39 + HE3 LYS 39 OK 67 100 - 67 - 3.0=54, 3617/1.8=5...(12) HD3 LYS 39 + HE3 LYS 39 OK 67 100 - 67 - 3.0=54, 3617/1.8=5...(12) HG3 LYS 39 + HE2 LYS 39 OK 54 97 - 56 - 3.6=30, 1.8/3642=5...(16) HG3 LYS 39 + HE3 LYS 39 OK 54 96 - 56 - 3.6=30, 1.8/3642=5...(16) HD2 LYS 20 - HE2 LYS 43 OK 10 65 - 16 - 3.0/5198=1, 3.0/3884=1 HD3 LYS 20 - HE2 LYS 43 poor 10 61 - 16 - 3.0/5198=1, 3.0/3884=1 HD2 LYS 20 - HE2 LYS 73 poor 9 64 - 15 - 3.0/5198=1 HD2 LYS 20 - HE3 LYS 43 poor 9 62 - 14 - HD3 LYS 20 - HE2 LYS 73 poor 9 60 - 15 - 3.0/5198=1 HD2 LYS 20 - HE3 LYS 73 poor 9 65 - 13 - HD3 LYS 20 - HE3 LYS 43 poor 8 58 - 14 - HD3 LYS 20 - HE3 LYS 73 poor 8 61 - 13 - HD3 LYS 16 - HE2 LYS 40 poor 5 47 - 10 - HD3 LYS 44 - HE2 LYS 39 lone 5 100 - 5 - HD3 LYS 44 - HE3 LYS 39 lone 5 99 - 5 - HD2 LYS 44 - HE2 LYS 39 lone 5 99 - 5 - HD2 LYS 44 - HE3 LYS 39 lone 4 98 - 5 - HG3 LYS 39 - HE2 LYS 43 lone 4 97 - 4 - HD3 LYS 16 - HE3 LYS 40 lone 4 40 - 9 - HD3 LYS 44 - HE2 LYS 73 lone 4 99 - 4 - HD3 LYS 44 - HE3 LYS 73 lone 4 99 - 3 - HD3 LYS 44 - HE2 LYS 43 lone 4 100 - 4 - HD2 LYS 44 - HE3 LYS 73 lone 3 98 - 3 - HD2 LYS 44 - HE2 LYS 73 lone 3 98 - 4 - HD2 LYS 44 - HE2 LYS 43 lone 3 99 - 4 - HD3 LYS 44 - HE3 LYS 43 lone 3 98 - 4 - HD2 LYS 44 - HE3 LYS 43 lone 3 97 - 4 - HG3 LYS 39 - HE3 LYS 43 lone 3 94 - 4 - HD2 LYS 20 - HE2 LYS 40 lone 3 44 - 8 - HG3 LYS 39 - HE2 LYS 40 lone 3 72 - 5 - HD3 LYS 20 - HE2 LYS 40 lone 3 41 - 8 - HD2 LYS 20 - HE3 LYS 40 lone 3 37 - 8 - HD3 LYS 20 - HE3 LYS 40 lone 3 35 - 8 - HD3 LYS 39 - HE2 LYS 43 lone 3 100 - 3 - HD2 LYS 39 - HE2 LYS 43 lone 3 100 - 3 - HD2 LYS 39 - HE3 LYS 43 lone 3 99 - 3 - HD3 LYS 39 - HE3 LYS 43 lone 3 99 - 3 - HG3 LYS 39 - HE3 LYS 40 lone 2 63 - 4 - HD2 LYS 39 - HE2 LYS 40 lone 2 78 - 3 - HD3 LYS 39 - HE2 LYS 40 lone 2 78 - 3 - HG3 LYS 39 - HE2 LYS 73 lone 2 96 - 2 - HG3 LYS 39 - HE3 LYS 73 lone 2 96 - 2 - HG3 LYS 123 - HE3 LYS 39 lone 2 96 - 2 - HG3 LYS 123 - HE2 LYS 39 lone 2 97 - 2 - HD3 LYS 39 - HE2 LYS 73 lone 2 99 - 2 - HD2 LYS 39 - HE2 LYS 73 lone 2 99 - 2 - HD3 LYS 39 - HE3 LYS 73 lone 2 100 - 2 - HD2 LYS 39 - HE3 LYS 73 lone 2 100 - 2 - HD2 LYS 39 - HE3 LYS 40 lone 2 68 - 3 - HD3 LYS 39 - HE3 LYS 40 lone 2 68 - 3 - HD2 LYS 20 - HE2 LYS 39 lone 1 65 - 2 - HD2 LYS 20 - HE3 LYS 39 lone 1 65 - 2 - HD3 LYS 20 - HE2 LYS 39 lone 1 61 - 2 - HD3 LYS 20 - HE3 LYS 39 lone 1 61 - 2 - HD3 LYS 16 - HE2 LYS 73 lone 1 68 - 1 - HD3 LYS 16 - HE3 LYS 73 lone 1 69 - 1 - HG LEU 74 - HE2 LYS 73 lone 0 99 - 0 - HD3 LYS 44 - HE2 LYS 40 lone 0 77 - 1 - HD3 LYS 16 - HE2 LYS 43 lone 0 69 - 1 - HG LEU 74 - HE3 LYS 73 lone 0 100 - 0 - HG12 ILE 71 - HE2 LYS 73 lone 0 85 - 0 - HD2 LYS 44 - HE2 LYS 40 lone 0 75 - 1 - HG12 ILE 71 - HE3 LYS 73 lone 0 86 - 0 - HG3 LYS 123 - HE2 LYS 43 lone 0 97 - 0 - HG3 LYS 123 - HE3 LYS 43 lone 0 94 - 0 - HD3 LYS 16 - HE3 LYS 43 lone 0 66 - 1 - HD3 LYS 44 - HE3 LYS 40 lone 0 67 - 1 - HD2 LYS 44 - HE3 LYS 40 lone 0 65 - 1 - HG3 LYS 123 - HE2 LYS 73 lone 0 96 - 0 - HG3 LYS 123 - HE3 LYS 73 lone 0 96 - 0 - HD3 LYS 16 - HE3 LYS 39 lone 0 69 - 0 - HG3 LYS 123 - HE2 LYS 40 lone 0 72 - 0 - HD3 LYS 16 - HE2 LYS 39 lone 0 70 - 0 - HG3 LYS 123 - HE3 LYS 40 lone 0 63 - 0 - HG LEU 74 - HE2 LYS 39 lone 0 100 - 0 - HG LEU 74 - HE3 LYS 39 lone 0 100 - 0 - HB3 LYS 106 - HE2 LYS 39 lone 0 94 - 0 - HB3 LYS 106 - HE3 LYS 39 lone 0 93 - 0 - HG LEU 74 - HE2 LYS 43 lone 0 100 - 0 - HB2 LYS 106 - HE2 LYS 39 lone 0 90 - 0 - HG LEU 74 - HE3 LYS 43 lone 0 98 - 0 - HB2 LYS 106 - HE3 LYS 39 lone 0 89 - 0 - HG12 ILE 71 - HE2 LYS 39 lone 0 87 - 0 - HG12 ILE 71 - HE3 LYS 39 lone 0 86 - 0 - HG12 ILE 71 - HE2 LYS 43 lone 0 87 - 0 - HB3 LYS 106 - HE2 LYS 43 lone 0 94 - 0 - HB3 LYS 106 - HE2 LYS 73 lone 0 92 - 0 - HB3 LYS 106 - HE3 LYS 73 lone 0 93 - 0 - HG12 ILE 71 - HE3 LYS 43 lone 0 83 - 0 - HB3 LYS 106 - HE3 LYS 43 lone 0 91 - 0 - HB2 LYS 106 - HE2 LYS 43 lone 0 89 - 0 - HB2 LYS 106 - HE2 LYS 73 lone 0 88 - 0 - HB2 LYS 106 - HE3 LYS 73 lone 0 89 - 0 - HB2 LYS 106 - HE3 LYS 43 lone 0 86 - 0 - HB3 LYS 106 - HE2 LYS 40 lone 0 69 - 0 - HG LEU 74 - HE2 LYS 40 lone 0 78 - 0 - HB2 LYS 106 - HE2 LYS 40 lone 0 64 - 0 - HB ILE 56 - HE2 LYS 43 lone 0 69 - 0 - HB3 LEU 90 - HE2 LYS 39 lone 0 70 - 0 - HB ILE 56 - HE3 LYS 43 lone 0 66 - 0 - HB3 LEU 90 - HE3 LYS 39 lone 0 69 - 0 - HB3 LEU 90 - HE2 LYS 43 lone 0 69 - 0 - HB3 LEU 90 - HE2 LYS 73 lone 0 68 - 0 - HB3 LEU 90 - HE2 LYS 40 lone 0 47 - 0 - HG LEU 74 - HE3 LYS 40 lone 0 68 - 0 - HB ILE 56 - HE3 LYS 73 lone 0 69 - 0 - HB ILE 56 - HE2 LYS 39 lone 0 70 - 0 - HB ILE 56 - HE2 LYS 73 lone 0 68 - 0 - HB ILE 56 - HE3 LYS 39 lone 0 69 - 0 - HB3 LYS 106 - HE3 LYS 40 lone 0 59 - 0 - HB3 LEU 90 - HE3 LYS 73 lone 0 69 - 0 - HG12 ILE 71 - HE2 LYS 40 lone 0 62 - 0 - HB3 LEU 90 - HE3 LYS 43 lone 0 66 - 0 - HB2 LYS 106 - HE3 LYS 40 lone 0 55 - 0 - HB3 LEU 90 - HE3 LYS 40 lone 0 40 - 0 - HG12 ILE 71 - HE3 LYS 40 lone 0 53 - 0 - HB ILE 56 - HE2 LYS 40 lone 0 47 - 0 - HB ILE 56 - HE3 LYS 40 lone 0 40 - 0 - Peak 3635 from cnoeabs.peaks (1.70, 2.98, 41.78 ppm; 2.40 A): 6 out of 128 assignments used, quality = 1.00: * HD3 LYS 39 + HE2 LYS 39 OK 67 100 - 67 - 3.0=54, 3617/1.8=5...(12) HD2 LYS 39 + HE2 LYS 39 OK 67 100 - 67 - 3.0=54, 3617/1.8=5...(12) HD3 LYS 39 + HE3 LYS 39 OK 67 100 - 67 - 3.0=54, 3617/1.8=5...(12) HD2 LYS 39 + HE3 LYS 39 OK 67 100 - 67 - 3.0=54, 3617/1.8=5...(12) HG3 LYS 39 + HE2 LYS 39 OK 55 98 - 56 - 3.6=30, 1.8/3642=5...(16) HG3 LYS 39 + HE3 LYS 39 OK 55 98 - 56 - 3.6=30, 1.8/3642=5...(16) HD2 LYS 20 - HE2 LYS 43 OK 11 69 - 16 - 3.0/5198=1, 3.0/3884=1 HD3 LYS 20 - HE2 LYS 43 OK 10 65 - 16 - 3.0/5198=1, 3.0/3884=1 HD2 LYS 20 - HE2 LYS 73 poor 10 68 - 15 - 3.0/5198=1 HD2 LYS 20 - HE3 LYS 43 poor 9 66 - 14 - HD3 LYS 20 - HE2 LYS 73 poor 9 64 - 15 - 3.0/5198=1 HD2 LYS 20 - HE3 LYS 73 poor 9 69 - 13 - HD3 LYS 20 - HE3 LYS 43 poor 9 62 - 14 - HD3 LYS 20 - HE3 LYS 73 poor 9 65 - 13 - HD3 LYS 16 - HE2 LYS 40 poor 5 50 - 10 - HD3 LYS 44 - HE3 LYS 39 lone 5 100 - 5 - HD3 LYS 44 - HE2 LYS 39 lone 5 100 - 5 - HD2 LYS 44 - HE2 LYS 39 lone 5 99 - 5 - HD2 LYS 44 - HE3 LYS 39 lone 5 99 - 5 - HD2 LYS 16 - HE2 LYS 40 poor 4 41 - 10 - HD3 LYS 16 - HE3 LYS 40 lone 4 43 - 9 - HG3 LYS 39 - HE2 LYS 43 lone 4 98 - 4 - HD2 LYS 20 - HE2 LYS 40 lone 4 47 - 8 - HD3 LYS 44 - HE2 LYS 73 lone 4 99 - 4 - HD2 LYS 44 - HE3 LYS 73 lone 4 99 - 4 - HD3 LYS 44 - HE3 LYS 73 lone 4 100 - 3 - HD2 LYS 44 - HE2 LYS 73 lone 4 98 - 4 - HD3 LYS 44 - HE2 LYS 43 lone 4 100 - 4 - HD2 LYS 44 - HE2 LYS 43 lone 4 99 - 4 - HD3 LYS 44 - HE3 LYS 43 lone 3 98 - 4 - HG3 LYS 39 - HE3 LYS 43 lone 3 96 - 4 - HD2 LYS 44 - HE3 LYS 43 lone 3 97 - 4 - HD3 LYS 20 - HE2 LYS 40 lone 3 44 - 8 - HG3 LYS 39 - HE2 LYS 40 lone 3 74 - 5 - HD2 LYS 20 - HE3 LYS 40 lone 3 40 - 8 - HD2 LYS 16 - HE3 LYS 40 lone 3 35 - 9 - HD3 LYS 20 - HE3 LYS 40 lone 3 37 - 8 - HD3 LYS 39 - HE2 LYS 43 lone 3 100 - 3 - HD2 LYS 39 - HE2 LYS 43 lone 3 100 - 3 - HD3 LYS 39 - HE3 LYS 43 lone 3 99 - 3 - HD2 LYS 39 - HE3 LYS 43 lone 3 99 - 3 - HG3 LYS 39 - HE3 LYS 40 lone 3 64 - 4 - HD3 LYS 39 - HE2 LYS 40 lone 2 78 - 3 - HD2 LYS 39 - HE2 LYS 40 lone 2 78 - 3 - HG3 LYS 39 - HE2 LYS 73 lone 2 97 - 2 - HG3 LYS 39 - HE3 LYS 73 lone 2 98 - 2 - HG3 LYS 123 - HE3 LYS 39 lone 2 98 - 2 - HG3 LYS 123 - HE2 LYS 39 lone 2 98 - 2 - HD3 LYS 39 - HE2 LYS 73 lone 2 99 - 2 - HD2 LYS 39 - HE2 LYS 73 lone 2 99 - 2 - HD3 LYS 39 - HE3 LYS 73 lone 2 100 - 2 - HD2 LYS 39 - HE3 LYS 73 lone 2 100 - 2 - HD3 LYS 39 - HE3 LYS 40 lone 2 68 - 3 - HD2 LYS 39 - HE3 LYS 40 lone 2 68 - 3 - HD2 LYS 20 - HE2 LYS 39 lone 1 70 - 2 - HD2 LYS 20 - HE3 LYS 39 lone 1 69 - 2 - HD3 LYS 20 - HE2 LYS 39 lone 1 65 - 2 - HD3 LYS 20 - HE3 LYS 39 lone 1 65 - 2 - HD3 LYS 16 - HE2 LYS 73 lone 1 71 - 1 - HD3 LYS 16 - HE3 LYS 73 lone 1 73 - 1 - HD2 LYS 16 - HE2 LYS 73 lone 1 60 - 1 - HD2 LYS 16 - HE3 LYS 73 lone 1 61 - 1 - HD3 LYS 16 - HE2 LYS 43 lone 0 73 - 1 - HG LEU 74 - HE2 LYS 73 lone 0 99 - 0 - HG12 ILE 71 - HE2 LYS 73 lone 0 88 - 0 - HG12 ILE 71 - HE3 LYS 73 lone 0 89 - 0 - HD3 LYS 16 - HE3 LYS 43 lone 0 70 - 1 - HD3 LYS 44 - HE2 LYS 40 lone 0 78 - 1 - HD2 LYS 44 - HE2 LYS 40 lone 0 76 - 1 - HG LEU 74 - HE3 LYS 73 lone 0 100 - 0 - HG3 LYS 123 - HE2 LYS 43 lone 0 98 - 0 - HG3 LYS 123 - HE3 LYS 43 lone 0 96 - 0 - HD2 LYS 16 - HE2 LYS 43 lone 0 61 - 1 - HD3 LYS 44 - HE3 LYS 40 lone 0 68 - 1 - HD2 LYS 44 - HE3 LYS 40 lone 0 66 - 1 - HG3 LYS 123 - HE2 LYS 73 lone 0 97 - 0 - HD3 LYS 16 - HE3 LYS 39 lone 0 73 - 0 - HD2 LYS 16 - HE3 LYS 43 lone 0 58 - 1 - HD3 LYS 16 - HE2 LYS 39 lone 0 73 - 0 - HG3 LYS 123 - HE3 LYS 73 lone 0 98 - 0 - HG3 LYS 123 - HE2 LYS 40 lone 0 74 - 0 - HD2 LYS 16 - HE3 LYS 39 lone 0 61 - 0 - HD2 LYS 16 - HE2 LYS 39 lone 0 61 - 0 - HG3 LYS 123 - HE3 LYS 40 lone 0 64 - 0 - HG LEU 74 - HE3 LYS 39 lone 0 100 - 0 - HG LEU 74 - HE2 LYS 39 lone 0 100 - 0 - HG LEU 74 - HE2 LYS 43 lone 0 100 - 0 - HB3 LYS 106 - HE2 LYS 39 lone 0 92 - 0 - HB3 LYS 106 - HE3 LYS 39 lone 0 91 - 0 - HG LEU 74 - HE3 LYS 43 lone 0 99 - 0 - HG12 ILE 71 - HE3 LYS 39 lone 0 89 - 0 - HG12 ILE 71 - HE2 LYS 39 lone 0 90 - 0 - HB2 LYS 106 - HE2 LYS 39 lone 0 87 - 0 - HB2 LYS 106 - HE3 LYS 39 lone 0 86 - 0 - HG12 ILE 71 - HE2 LYS 43 lone 0 89 - 0 - HG12 ILE 71 - HE3 LYS 43 lone 0 86 - 0 - HB3 LYS 106 - HE2 LYS 43 lone 0 92 - 0 - HB3 LYS 106 - HE2 LYS 73 lone 0 90 - 0 - HB3 LYS 106 - HE3 LYS 73 lone 0 91 - 0 - HB3 LYS 106 - HE3 LYS 43 lone 0 89 - 0 - HB2 LYS 106 - HE2 LYS 43 lone 0 87 - 0 - HB2 LYS 106 - HE2 LYS 73 lone 0 85 - 0 - HB2 LYS 106 - HE3 LYS 73 lone 0 86 - 0 - HB2 LYS 106 - HE3 LYS 43 lone 0 83 - 0 - HB3 LYS 106 - HE2 LYS 40 lone 0 66 - 0 - HG LEU 74 - HE2 LYS 40 lone 0 78 - 0 - HB ILE 56 - HE2 LYS 43 lone 0 73 - 0 - HB2 LYS 106 - HE2 LYS 40 lone 0 62 - 0 - HB ILE 56 - HE3 LYS 43 lone 0 70 - 0 - HB ILE 56 - HE3 LYS 73 lone 0 73 - 0 - HB ILE 56 - HE2 LYS 39 lone 0 73 - 0 - HG LEU 74 - HE3 LYS 40 lone 0 68 - 0 - HB ILE 56 - HE2 LYS 73 lone 0 71 - 0 - HB ILE 56 - HE3 LYS 39 lone 0 73 - 0 - HB3 LEU 90 - HE2 LYS 39 lone 0 65 - 0 - HB3 LEU 90 - HE3 LYS 39 lone 0 65 - 0 - HB3 LEU 90 - HE2 LYS 43 lone 0 65 - 0 - HB3 LEU 90 - HE2 LYS 73 lone 0 64 - 0 - HB3 LEU 90 - HE2 LYS 40 lone 0 44 - 0 - HG12 ILE 71 - HE2 LYS 40 lone 0 64 - 0 - HB3 LYS 106 - HE3 LYS 40 lone 0 57 - 0 - HB3 LEU 90 - HE3 LYS 73 lone 0 65 - 0 - HB3 LEU 90 - HE3 LYS 43 lone 0 62 - 0 - HB2 LYS 106 - HE3 LYS 40 lone 0 53 - 0 - HG12 ILE 71 - HE3 LYS 40 lone 0 55 - 0 - HB3 LEU 90 - HE3 LYS 40 lone 0 37 - 0 - HB ILE 56 - HE2 LYS 40 lone 0 50 - 0 - HB ILE 56 - HE3 LYS 40 lone 0 43 - 0 - Peak 3636 from cnoeabs.peaks (2.98, 2.98, 41.78 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: * HE2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 HE2 LYS 43 + HE2 LYS 43 OK 100 100 - 100 HE3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 HE3 LYS 73 + HE3 LYS 73 OK 100 100 - 100 HE2 LYS 73 + HE2 LYS 73 OK 99 99 - 100 HE3 LYS 43 + HE3 LYS 43 OK 97 97 - 100 HE2 LYS 40 + HE2 LYS 40 OK 64 64 - 100 HE3 LYS 40 + HE3 LYS 40 OK 50 50 - 100 Peak 3637 from cnoeabs.peaks (2.98, 2.98, 41.78 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HE2 LYS 43 + HE2 LYS 43 OK 100 100 - 100 HE2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 HE3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 HE2 LYS 73 + HE2 LYS 73 OK 99 99 - 100 HE3 LYS 73 + HE3 LYS 73 OK 99 99 - 100 HE3 LYS 43 + HE3 LYS 43 OK 96 96 - 100 HE2 LYS 40 + HE2 LYS 40 OK 59 59 - 100 HE3 LYS 40 + HE3 LYS 40 OK 45 45 - 100 Reference assignment not found: HE3 LYS 39 - HE2 LYS 39 Peak 3638 from cnoeabs.peaks (7.83, 2.98, 41.78 ppm; 6.20 A): 3 out of 40 assignments used, quality = 1.00: * H LYS 39 + HE3 LYS 39 OK 96 100 - 96 - 7.3=62, 3588/3.6=29...(17) H LYS 39 + HE2 LYS 39 OK 95 100 - 96 - 7.3=62, 3588/3.6=29...(17) H ILE 97 + HE3 LYS 39 OK 45 100 - 45 - 3588/3.6=13, 3598/3.6=12...(9) H ILE 97 - HE2 LYS 39 OK 45 100 - 45 - 3588/3.6=13, 3598/3.6=12...(9) H LYS 39 - HE2 LYS 40 OK 25 68 - 36 - 218/7.5=16, 3.0/3566=3...(12) H LYS 39 - HE2 LYS 43 OK 22 100 - 22 - 3.0/3567=4, ~3567=3...(10) H LYS 39 - HE3 LYS 43 OK 21 96 - 22 - 3.0/3567=4, ~3567=3...(10) H LYS 39 - HE3 LYS 40 OK 20 57 - 36 - 218/7.5=16, 3.0/3566=3...(12) H ILE 97 - HE2 LYS 40 OK 16 68 - 23 - 218/7.5=10, 614/5.0=3...(7) H VAL 78 - HE3 LYS 39 OK 13 100 - 13 - 3588/3.6=4, 3598/3.6=3...(6) H VAL 78 - HE2 LYS 39 OK 13 100 - 13 - 3588/3.6=4, 3598/3.6=3...(6) H ILE 97 - HE3 LYS 40 OK 13 57 - 23 - 218/7.5=10, 614/5.0=3...(7) H ILE 97 - HE2 LYS 43 OK 12 100 - 12 - ~10113=2, 7800/3.0=1, 7801/3.0=1 H LYS 39 - HE2 LYS 73 OK 12 100 - 12 - 3.0/3567=1, ~3567=1, ~3566=1 H LYS 39 - HE3 LYS 73 OK 12 99 - 12 - 3.0/3567=1, ~3567=1, ~3566=1 H ILE 97 - HE3 LYS 43 OK 12 95 - 12 - 7800/3.0=1, 7801/3.0=1...(4) H ILE 97 - HE2 LYS 73 OK 11 100 - 11 - ~10113=1, 7801/2.9=1, 7801/2.9=1 H ILE 97 - HE3 LYS 73 OK 10 98 - 11 - 7801/2.9=1, 7801/2.9=1...(4) H TYR 27 - HE3 LYS 39 lone 3 73 - 5 - H TYR 27 - HE2 LYS 39 lone 3 73 - 5 - H VAL 78 - HE2 LYS 43 lone 3 100 - 3 - H VAL 78 - HE3 LYS 43 lone 3 96 - 3 - HE21 GLN 62 - HE3 LYS 39 lone 3 65 - 5 - 3598/3.6=1 HE21 GLN 62 - HE2 LYS 39 lone 3 65 - 5 - 3598/3.6=1 H VAL 78 - HE2 LYS 73 lone 3 100 - 3 - H VAL 78 - HE3 LYS 73 lone 3 99 - 3 - H VAL 78 - HE2 LYS 40 lone 3 68 - 4 - H VAL 78 - HE3 LYS 40 lone 2 57 - 4 - H TYR 27 - HE2 LYS 43 lone 2 73 - 2 - H TYR 27 - HE2 LYS 73 lone 2 73 - 2 - H TYR 27 - HE3 LYS 73 lone 2 70 - 2 - H TYR 27 - HE3 LYS 43 lone 2 66 - 2 - HE21 GLN 62 - HE2 LYS 43 lone 1 65 - 2 - HE21 GLN 62 - HE2 LYS 73 lone 1 65 - 2 - HE21 GLN 62 - HE3 LYS 73 lone 1 62 - 2 - HE21 GLN 62 - HE3 LYS 43 lone 1 58 - 2 - H TYR 27 - HE2 LYS 40 lone 1 43 - 2 - H TYR 27 - HE3 LYS 40 lone 1 35 - 2 - HE21 GLN 62 - HE2 LYS 40 lone 1 37 - 2 - HE21 GLN 62 - HE3 LYS 40 lone 1 31 - 2 - Peak 3640 from cnoeabs.peaks (1.93, 2.98, 41.78 ppm; 3.26 A): 4 out of 160 assignments used, quality = 0.99: * HB2 LYS 39 + HE3 LYS 39 OK 75 100 - 75 - 5.0=27, 2.9/3642=7...(38) HB2 LYS 39 + HE2 LYS 39 OK 75 100 - 75 - 5.0=27, 2.9/3642=7...(38) HB3 LYS 39 + HE3 LYS 39 OK 60 81 - 74 - 5.0=27, 2.9/3642=7...(39) HB3 LYS 39 + HE2 LYS 39 OK 59 80 - 74 - 5.0=27, 2.9/3642=7...(39) HB3 LYS 40 - HE2 LYS 40 OK 43 55 - 78 - 5.0=28, 3711/3.0=6...(47) HB3 LYS 40 - HE3 LYS 40 OK 36 46 - 78 - 5.0=28, 3711/3.0=6...(47) HB3 LYS 40 - HE2 LYS 43 OK 25 89 - 29 - 2.7/3885=2, 2.7/3696=2...(12) HB3 LYS 40 - HE3 LYS 43 OK 22 82 - 27 - 2.7/3696=2, 2.7/3885=2...(9) HB3 LYS 40 - HE2 LYS 73 OK 16 89 - 17 - 2.7/3885=1 HB3 LYS 40 - HE3 LYS 73 OK 13 86 - 15 - 2.7/3696=1 HB3 LYS 40 - HE3 LYS 39 OK 13 90 - 14 - 4.0/1257=1 HB3 LYS 40 - HE2 LYS 39 OK 12 89 - 14 - 4.0/1257=1 HB2 LYS 39 - HE2 LYS 43 lone 10 100 - 10 - HB2 LYS 39 - HE2 LYS 40 poor 10 68 - 15 - 7473/7.5=2 HB2 LYS 39 - HE3 LYS 43 lone 9 96 - 10 - HB2 LYS 39 - HE3 LYS 40 poor 8 57 - 14 - 7473/7.5=2 HB3 LYS 39 - HE2 LYS 43 lone 8 80 - 10 - HB3 LYS 39 - HE3 LYS 43 lone 7 73 - 9 - HB3 LYS 39 - HE2 LYS 40 poor 7 48 - 14 - 4.3/1257=2 HB2 LEU 70 - HE2 LYS 73 lone 6 95 - 6 - ~11077=2, 5034/6.7=1, ~11661=1 HB2 LEU 70 - HE3 LYS 73 lone 5 93 - 6 - ~11077=2, 5034/6.7=1, ~11661=1 HB2 LYS 39 - HE2 LYS 73 lone 5 100 - 5 - HB2 LYS 39 - HE3 LYS 73 lone 5 99 - 5 - HB3 LYS 39 - HE3 LYS 40 poor 5 39 - 13 - 4.3/1257=2 HB3 LYS 39 - HE2 LYS 73 lone 4 80 - 5 - HB2 LYS 123 - HE3 LYS 39 lone 4 100 - 4 - HB2 LYS 123 - HE2 LYS 39 lone 4 100 - 4 - HB3 LYS 39 - HE3 LYS 73 lone 4 77 - 5 - HB3 MET 42 - HE3 LYS 39 lone 2 73 - 3 - 8060/6.6=2 HB3 MET 42 - HE2 LYS 39 lone 2 73 - 3 - 8060/6.6=2 HB2 LYS 115 - HE2 LYS 39 lone 2 98 - 2 - HB2 LYS 115 - HE3 LYS 39 lone 1 98 - 1 - HB3 LYS 115 - HE2 LYS 39 lone 1 100 - 1 - HB3 LYS 65 - HE2 LYS 39 lone 1 100 - 1 - HB3 LYS 65 - HE3 LYS 39 lone 1 100 - 1 - HB2 LYS 65 - HE2 LYS 39 lone 1 100 - 1 - HB2 LYS 65 - HE3 LYS 39 lone 1 100 - 1 - HB3 LYS 115 - HE3 LYS 39 lone 1 100 - 1 - HB3 MET 42 - HE2 LYS 43 lone 1 73 - 2 - 247/7.0=1 HB3 GLU 41 - HE2 LYS 40 lone 1 45 - 3 - HB3 MET 42 - HE3 LYS 43 lone 1 66 - 2 - 247/7.0=1 HB2 GLU 41 - HE2 LYS 40 lone 1 43 - 3 - HB3 GLU 41 - HE2 LYS 43 lone 1 77 - 1 - HB3 GLU 41 - HE3 LYS 39 lone 1 77 - 1 - HB3 GLU 41 - HE2 LYS 39 lone 1 76 - 1 - HB2 GLU 41 - HE2 LYS 43 lone 1 73 - 1 - HB3 GLU 41 - HE3 LYS 40 lone 1 37 - 3 - HB2 LYS 115 - HE2 LYS 43 lone 1 98 - 1 - HB2 LYS 115 - HE2 LYS 73 lone 1 98 - 1 - HB2 LYS 115 - HE3 LYS 43 lone 1 92 - 1 - HB2 GLU 41 - HE3 LYS 39 lone 1 73 - 1 - HB2 GLU 41 - HE2 LYS 39 lone 1 73 - 1 - HB2 LYS 123 - HE2 LYS 43 lone 1 100 - 1 - HB3 GLU 41 - HE3 LYS 43 lone 1 70 - 1 - HB2 GLU 41 - HE3 LYS 40 lone 1 35 - 3 - HB3 LYS 115 - HE3 LYS 43 lone 1 96 - 1 - HB3 LYS 115 - HE2 LYS 43 lone 1 100 - 1 - HB3 LYS 115 - HE2 LYS 73 lone 1 100 - 1 - HB2 LYS 115 - HE2 LYS 40 lone 1 64 - 1 - HB2 LYS 115 - HE3 LYS 73 lone 1 96 - 1 - HB2 GLU 41 - HE3 LYS 43 lone 1 66 - 1 - HB2 LYS 123 - HE3 LYS 43 lone 1 96 - 1 - HB3 LYS 115 - HE2 LYS 40 lone 1 68 - 1 - HB2 LYS 123 - HE2 LYS 40 lone 1 68 - 1 - HB3 LYS 115 - HE3 LYS 73 lone 1 99 - 1 - HB3 LYS 65 - HE2 LYS 43 lone 1 100 - 1 - HB2 LYS 65 - HE2 LYS 43 lone 1 100 - 1 - HB3 LYS 65 - HE2 LYS 73 lone 1 100 - 1 - HB3 LYS 65 - HE3 LYS 73 lone 1 99 - 1 - HB2 LYS 65 - HE2 LYS 73 lone 1 100 - 1 - HB2 LYS 65 - HE3 LYS 73 lone 1 99 - 1 - HB3 LYS 65 - HE3 LYS 43 lone 1 96 - 1 - HB2 LYS 65 - HE3 LYS 43 lone 1 96 - 1 - HB2 LYS 123 - HE2 LYS 73 lone 1 100 - 1 - HB VAL 104 - HE3 LYS 39 lone 1 87 - 1 - HB2 LEU 81 - HE3 LYS 39 lone 1 77 - 1 - HB2 LEU 81 - HE2 LYS 39 lone 1 76 - 1 - HB2 LYS 115 - HE3 LYS 40 lone 1 54 - 1 - HB VAL 104 - HE2 LYS 39 lone 1 86 - 1 - HB2 LYS 123 - HE3 LYS 73 lone 1 99 - 1 - HB2 LEU 70 - HE2 LYS 43 lone 1 95 - 1 - HB3 LYS 115 - HE3 LYS 40 lone 1 57 - 1 - HB3 LYS 65 - HE2 LYS 40 lone 1 68 - 1 - HB2 LYS 65 - HE2 LYS 40 lone 1 68 - 1 - HB2 LEU 70 - HE3 LYS 43 lone 1 89 - 1 - HB2 LYS 123 - HE3 LYS 40 lone 1 57 - 1 - HB2 LEU 127 - HE2 LYS 73 lone 1 100 - 1 - HB3 LYS 17 - HE2 LYS 40 lone 1 53 - 1 - HB2 LEU 127 - HE3 LYS 73 lone 1 99 - 1 - HB3 LYS 17 - HE2 LYS 43 lone 1 87 - 1 - HB2 LEU 127 - HE3 LYS 39 lone 1 100 - 1 - HB2 LEU 127 - HE2 LYS 43 lone 1 100 - 1 - HB2 LEU 127 - HE2 LYS 39 lone 1 100 - 1 - HB2 LEU 127 - HE3 LYS 43 lone 1 96 - 1 - HB3 LYS 17 - HE2 LYS 73 lone 1 87 - 1 - HB3 LYS 65 - HE3 LYS 40 lone 1 57 - 1 - HB3 LYS 17 - HE3 LYS 43 lone 1 79 - 1 - HB2 LYS 65 - HE3 LYS 40 lone 1 57 - 1 - HB3 LYS 17 - HE3 LYS 40 lone 1 44 - 1 - HB3 LYS 17 - HE3 LYS 73 lone 0 83 - 1 - HB2 LEU 70 - HE3 LYS 39 lone 0 96 - 0 - HB2 LEU 70 - HE2 LYS 39 lone 0 95 - 0 - HB3 LYS 17 - HE3 LYS 39 lone 0 87 - 0 - HB3 LYS 17 - HE2 LYS 39 lone 0 86 - 0 - HB3 MET 42 - HE2 LYS 40 lone 0 43 - 1 - HB2 LEU 127 - HE2 LYS 40 lone 0 68 - 1 - HB3 GLU 41 - HE2 LYS 73 lone 0 77 - 0 - HB3 GLU 41 - HE3 LYS 73 lone 0 74 - 0 - HB2 GLU 41 - HE2 LYS 73 lone 0 73 - 0 - HB3 MET 42 - HE3 LYS 40 lone 0 35 - 1 - HB2 LEU 70 - HE2 LYS 40 lone 0 61 - 1 - HB2 GLU 41 - HE3 LYS 73 lone 0 70 - 0 - HB VAL 104 - HE2 LYS 43 lone 0 87 - 0 - HB VAL 29 - HE3 LYS 39 lone 0 61 - 0 - HB2 LEU 127 - HE3 LYS 40 lone 0 57 - 1 - HB VAL 29 - HE2 LYS 39 lone 0 61 - 0 - HB VAL 104 - HE2 LYS 73 lone 0 87 - 0 - HB VAL 104 - HE3 LYS 43 lone 0 79 - 0 - HB2 LEU 81 - HE2 LYS 43 lone 0 77 - 0 - HB VAL 104 - HE3 LYS 73 lone 0 83 - 0 - HB2 LEU 81 - HE2 LYS 73 lone 0 77 - 0 - HB VAL 104 - HE2 LYS 40 lone 0 53 - 1 - HB2 LEU 81 - HE3 LYS 73 lone 0 74 - 0 - HB3 GLU 52 - HE3 LYS 39 lone 0 65 - 0 - HB3 GLU 52 - HE2 LYS 39 lone 0 65 - 0 - HB3 MET 42 - HE2 LYS 73 lone 0 73 - 0 - HB2 LEU 81 - HE3 LYS 43 lone 0 70 - 0 - HB VAL 29 - HE2 LYS 43 lone 0 61 - 0 - HB3 MET 42 - HE3 LYS 73 lone 0 70 - 0 - HG2 MET 121 - HE3 LYS 39 lone 0 70 - 0 - HG2 MET 121 - HE2 LYS 39 lone 0 69 - 0 - HB2 LEU 70 - HE3 LYS 40 lone 0 51 - 0 - HB VAL 29 - HE3 LYS 43 lone 0 55 - 0 - HG2 MET 121 - HE2 LYS 43 lone 0 69 - 0 - HG2 MET 121 - HE2 LYS 73 lone 0 69 - 0 - HB VAL 29 - HE2 LYS 73 lone 0 61 - 0 - HB ILE 15 - HE3 LYS 39 lone 0 61 - 0 - HB ILE 15 - HE2 LYS 39 lone 0 61 - 0 - HB3 GLU 52 - HE2 LYS 43 lone 0 65 - 0 - HG2 MET 121 - HE3 LYS 73 lone 0 66 - 0 - HB VAL 29 - HE3 LYS 73 lone 0 58 - 0 - HB3 GLU 52 - HE2 LYS 73 lone 0 65 - 0 - HB VAL 104 - HE3 LYS 40 lone 0 44 - 0 - HG2 MET 121 - HE3 LYS 43 lone 0 62 - 0 - HB3 GLU 52 - HE3 LYS 73 lone 0 62 - 0 - HB ILE 15 - HE2 LYS 73 lone 0 61 - 0 - HB ILE 15 - HE2 LYS 43 lone 0 61 - 0 - HB3 GLU 52 - HE3 LYS 43 lone 0 58 - 0 - HB ILE 15 - HE3 LYS 73 lone 0 58 - 0 - HB VAL 29 - HE2 LYS 40 lone 0 35 - 1 - HB ILE 15 - HE3 LYS 43 lone 0 55 - 0 - HB2 LEU 81 - HE2 LYS 40 lone 0 45 - 0 - HB VAL 29 - HE3 LYS 40 lone 0 28 - 0 - HB2 LEU 81 - HE3 LYS 40 lone 0 37 - 0 - HB3 GLU 52 - HE2 LYS 40 lone 0 37 - 0 - HG2 MET 121 - HE2 LYS 40 lone 0 40 - 0 - HB ILE 15 - HE2 LYS 40 lone 0 35 - 0 - HB3 GLU 52 - HE3 LYS 40 lone 0 31 - 0 - HG2 MET 121 - HE3 LYS 40 lone 0 33 - 0 - HB ILE 15 - HE3 LYS 40 lone 0 28 - 0 - Peak 3641 from cnoeabs.peaks (1.95, 2.98, 41.78 ppm; 3.28 A): 5 out of 128 assignments used, quality = 1.00: * HB3 LYS 39 + HE3 LYS 39 OK 76 100 - 76 - 5.0=28, 2.9/3642=7...(40) HB3 LYS 39 + HE2 LYS 39 OK 76 100 - 76 - 5.0=28, 2.9/3642=7...(39) HB2 LYS 39 + HE3 LYS 39 OK 60 81 - 75 - 5.0=28, 2.9/3642=7...(38) HB2 LYS 39 + HE2 LYS 39 OK 60 80 - 75 - 5.0=28, 2.9/3642=7...(38) HB3 LYS 40 + HE2 LYS 40 OK 54 67 - 80 - 5.0=29, 3711/3.0=7...(47) HB3 LYS 40 - HE3 LYS 40 OK 45 56 - 80 - 5.0=29, 3711/3.0=7...(47) HB3 LYS 40 - HE2 LYS 43 OK 29 100 - 30 - 2.7/3885=2, 2.7/3696=2...(15) HB3 LYS 40 - HE3 LYS 43 OK 27 95 - 28 - 2.7/3696=2, 2.7/3885=2...(12) HB3 LYS 40 - HE2 LYS 73 OK 18 100 - 18 - 2.7/3885=1 HB3 LYS 40 - HE3 LYS 73 OK 16 98 - 16 - 2.7/3696=1 HB3 LYS 40 - HE3 LYS 39 OK 15 100 - 15 - 4.0/1257=1 HB3 LYS 40 - HE2 LYS 39 OK 14 99 - 14 - 4.0/1257=1 HB3 LYS 39 - HE2 LYS 40 OK 11 68 - 16 - 7474/7.5=2, 3586=1 HB3 LYS 39 - HE2 LYS 43 OK 10 100 - 10 - HB3 LYS 39 - HE3 LYS 43 poor 10 96 - 10 - HB3 LYS 39 - HE3 LYS 40 poor 8 57 - 15 - 7474/7.5=2, 3586=1, 3586/1.8=1 HB2 LYS 39 - HE2 LYS 43 lone 8 80 - 10 - HB2 LYS 39 - HE3 LYS 43 lone 7 73 - 10 - HB2 LYS 39 - HE2 LYS 40 poor 7 48 - 14 - 4.3/1257=2, 1.8/3586=1 HB2 LEU 70 - HE2 LYS 73 lone 6 98 - 6 - ~11077=2, 5034/6.7=1, ~11661=1 HB2 LEU 70 - HE3 LYS 73 lone 6 96 - 6 - ~11077=2, 5034/6.7=1, ~11661=1 HB3 LYS 39 - HE2 LYS 73 lone 6 100 - 5 - HB3 LYS 39 - HE3 LYS 73 lone 5 99 - 5 - HB2 LYS 39 - HE3 LYS 40 poor 5 39 - 14 - 4.3/1257=2 HB2 LYS 39 - HE2 LYS 73 lone 4 80 - 5 - HB2 LYS 39 - HE3 LYS 73 lone 4 77 - 5 - HB3 MET 42 - HE3 LYS 39 lone 4 100 - 4 - 8060/6.6=3 HB3 MET 42 - HE2 LYS 39 lone 4 100 - 4 - 8060/6.6=3 HB2 LYS 123 - HE3 LYS 39 lone 3 81 - 4 - HB2 LYS 123 - HE2 LYS 39 lone 3 80 - 4 - HB3 MET 42 - HE2 LYS 43 lone 2 100 - 2 - 247/7.0=2 HB3 MET 42 - HE3 LYS 43 lone 2 95 - 2 - 247/7.0=2 HB3 GLU 41 - HE2 LYS 40 lone 2 68 - 3 - HB2 GLU 41 - HE2 LYS 40 lone 2 68 - 3 - HB3 GLU 41 - HE3 LYS 40 lone 2 57 - 3 - HB2 GLU 41 - HE3 LYS 40 lone 2 57 - 3 - HB3 GLU 41 - HE2 LYS 43 lone 2 100 - 2 - HB2 GLU 41 - HE2 LYS 43 lone 2 100 - 2 - HB3 GLU 41 - HE3 LYS 43 lone 2 96 - 2 - HB2 GLU 41 - HE3 LYS 43 lone 2 95 - 2 - HB3 GLU 41 - HE2 LYS 39 lone 1 100 - 1 - HB3 GLU 41 - HE3 LYS 39 lone 1 100 - 1 - HB2 GLU 41 - HE3 LYS 39 lone 1 100 - 1 - HB2 GLU 41 - HE2 LYS 39 lone 1 100 - 1 - HB3 LYS 115 - HE2 LYS 39 lone 1 80 - 1 - HB2 LYS 65 - HE3 LYS 39 lone 1 81 - 1 - HB3 LYS 115 - HE3 LYS 39 lone 1 81 - 1 - HB2 LYS 65 - HE2 LYS 39 lone 1 80 - 1 - HB3 LYS 65 - HE3 LYS 39 lone 1 77 - 1 - HB3 LYS 65 - HE2 LYS 39 lone 1 76 - 1 - HB VAL 104 - HE3 LYS 39 lone 1 100 - 1 - HB VAL 104 - HE2 LYS 39 lone 1 100 - 1 - HB3 MET 42 - HE2 LYS 40 lone 1 68 - 1 - HB2 LYS 123 - HE2 LYS 43 lone 1 80 - 1 - HB2 LEU 70 - HE2 LYS 43 lone 1 98 - 1 - HB3 LYS 115 - HE2 LYS 43 lone 1 80 - 1 - HB3 LYS 115 - HE2 LYS 73 lone 1 80 - 1 - HB2 LEU 70 - HE3 LYS 43 lone 1 92 - 1 - HB3 LYS 115 - HE3 LYS 43 lone 1 73 - 1 - HB3 MET 42 - HE3 LYS 40 lone 1 57 - 1 - HB2 LYS 123 - HE3 LYS 43 lone 1 73 - 1 - HB2 LYS 65 - HE2 LYS 43 lone 1 80 - 1 - HB2 LYS 123 - HE2 LYS 40 lone 1 48 - 1 - HB2 LYS 65 - HE2 LYS 73 lone 1 80 - 1 - HB3 LYS 115 - HE3 LYS 73 lone 1 77 - 1 - HB3 LYS 65 - HE2 LYS 43 lone 1 77 - 1 - HB2 LYS 65 - HE3 LYS 73 lone 1 77 - 1 - HB3 LYS 65 - HE2 LYS 73 lone 1 77 - 1 - HB3 LYS 115 - HE2 LYS 40 lone 1 48 - 1 - HB3 LYS 65 - HE3 LYS 73 lone 1 74 - 1 - HB2 LYS 65 - HE3 LYS 43 lone 1 73 - 1 - HB2 LYS 123 - HE2 LYS 73 lone 1 80 - 1 - HB VAL 29 - HE3 LYS 39 lone 1 99 - 1 - HB VAL 29 - HE2 LYS 39 lone 1 98 - 1 - HB3 LYS 65 - HE3 LYS 43 lone 1 70 - 1 - HB2 LYS 123 - HE3 LYS 73 lone 1 77 - 1 - HB2 LEU 70 - HE3 LYS 39 lone 0 98 - 0 - HB2 LEU 70 - HE2 LYS 39 lone 0 98 - 0 - HB2 LEU 127 - HE2 LYS 73 lone 0 77 - 1 - HB3 GLU 41 - HE2 LYS 73 lone 0 100 - 0 - HB2 GLU 41 - HE2 LYS 73 lone 0 100 - 0 - HB3 GLU 41 - HE3 LYS 73 lone 0 99 - 0 - HB2 GLU 41 - HE3 LYS 73 lone 0 98 - 0 - HB2 LYS 123 - HE3 LYS 40 lone 0 39 - 1 - HB2 LYS 65 - HE2 LYS 40 lone 0 48 - 1 - HB VAL 29 - HE2 LYS 43 lone 0 99 - 0 - HB2 LEU 127 - HE2 LYS 43 lone 0 77 - 1 - HB3 LYS 115 - HE3 LYS 40 lone 0 39 - 1 - HB2 LEU 127 - HE3 LYS 73 lone 0 74 - 1 - HB3 GLU 52 - HE3 LYS 39 lone 0 99 - 0 - HB3 LYS 65 - HE2 LYS 40 lone 0 45 - 1 - HB3 GLU 52 - HE2 LYS 39 lone 0 99 - 0 - HB2 LEU 127 - HE3 LYS 39 lone 0 77 - 1 - HB VAL 29 - HE3 LYS 43 lone 0 93 - 0 - HB2 LEU 127 - HE2 LYS 39 lone 0 76 - 1 - HB3 GLU 128 - HE3 LYS 39 lone 0 98 - 0 - HB3 GLU 128 - HE2 LYS 39 lone 0 98 - 0 - HB VAL 104 - HE2 LYS 40 lone 0 68 - 1 - HB2 LEU 127 - HE3 LYS 43 lone 0 70 - 1 - HB3 MET 42 - HE2 LYS 73 lone 0 100 - 0 - HB3 MET 42 - HE3 LYS 73 lone 0 98 - 0 - HB VAL 104 - HE2 LYS 43 lone 0 100 - 0 - HB VAL 29 - HE2 LYS 40 lone 0 65 - 1 - HB VAL 29 - HE2 LYS 73 lone 0 99 - 0 - HB3 GLU 128 - HE2 LYS 43 lone 0 98 - 0 - HB2 LYS 65 - HE3 LYS 40 lone 0 39 - 1 - HB VAL 104 - HE3 LYS 43 lone 0 95 - 0 - HB VAL 29 - HE3 LYS 73 lone 0 97 - 0 - HB2 LEU 70 - HE2 LYS 40 lone 0 64 - 1 - HB3 GLU 128 - HE2 LYS 73 lone 0 98 - 0 - HB VAL 104 - HE2 LYS 73 lone 0 100 - 0 - HB VAL 104 - HE3 LYS 73 lone 0 98 - 0 - HB3 GLU 128 - HE3 LYS 73 lone 0 96 - 0 - HB3 LYS 65 - HE3 LYS 40 lone 0 37 - 1 - HB3 GLU 128 - HE3 LYS 43 lone 0 92 - 0 - HB3 GLU 52 - HE2 LYS 43 lone 0 99 - 0 - HB3 GLU 52 - HE2 LYS 73 lone 0 99 - 0 - HB3 GLU 52 - HE3 LYS 73 lone 0 97 - 0 - HB3 GLU 52 - HE3 LYS 43 lone 0 94 - 0 - HB VAL 29 - HE3 LYS 40 lone 0 55 - 1 - HB VAL 104 - HE3 LYS 40 lone 0 57 - 0 - HB3 GLU 128 - HE2 LYS 40 lone 0 64 - 0 - HB2 LEU 70 - HE3 LYS 40 lone 0 54 - 0 - HB2 LEU 127 - HE2 LYS 40 lone 0 45 - 1 - HB3 GLU 52 - HE2 LYS 40 lone 0 66 - 0 - HB3 GLU 128 - HE3 LYS 40 lone 0 54 - 0 - HB2 LEU 127 - HE3 LYS 40 lone 0 37 - 1 - HB3 GLU 52 - HE3 LYS 40 lone 0 56 - 0 - Peak 3642 from cnoeabs.peaks (1.46, 2.98, 41.78 ppm; 2.85 A): 2 out of 120 assignments used, quality = 0.94: * HG2 LYS 39 + HE3 LYS 39 OK 76 100 - 76 - 3.6=51, 3612/3.0=5...(28) HG2 LYS 39 + HE2 LYS 39 OK 75 100 - 75 - 3.6=51, 3612/3.0=5...(28) HG3 LYS 20 - HE2 LYS 43 OK 13 61 - 21 - ~3071=2, ~3070=2...(4) HG3 LYS 20 - HE2 LYS 73 OK 12 61 - 20 - ~3071=1, ~3070=1...(4) HG3 LYS 20 - HE3 LYS 43 OK 11 55 - 21 - 1.8/3071=1, ~3071=1, ~3070=1 HG3 LYS 20 - HE3 LYS 73 OK 11 58 - 19 - 1.8/3070=1, 3078/2.9=1 HG2 LYS 96 - HE2 LYS 73 lone 6 69 - 9 - HG2 LYS 39 - HE2 LYS 43 lone 6 100 - 6 - HG2 LYS 96 - HE3 LYS 73 lone 6 66 - 8 - HG2 LYS 96 - HE2 LYS 43 lone 6 69 - 8 - HG2 LYS 39 - HE2 LYS 40 lone 5 68 - 8 - 7475/7.5=2 HG2 LYS 39 - HE3 LYS 43 lone 5 96 - 6 - HG2 LYS 96 - HE3 LYS 43 lone 5 62 - 8 - HG3 LYS 44 - HE3 LYS 39 lone 5 61 - 8 - HG3 LYS 44 - HE2 LYS 39 lone 5 61 - 8 - HG2 LYS 39 - HE3 LYS 40 lone 4 57 - 8 - 7475/7.5=2 HG3 LYS 44 - HE2 LYS 43 lone 4 61 - 7 - HG3 LYS 44 - HE2 LYS 73 lone 4 61 - 7 - HG3 LYS 44 - HE3 LYS 73 lone 4 58 - 6 - HG3 LYS 44 - HE3 LYS 43 lone 4 55 - 7 - HG3 LYS 20 - HE2 LYS 40 poor 4 35 - 10 - HG2 LYS 39 - HE2 LYS 73 lone 3 100 - 3 - HG2 LYS 96 - HE3 LYS 39 lone 3 70 - 5 - HB3 LEU 38 - HE3 LYS 39 lone 3 99 - 3 - 3562/6.6=1 HB3 LEU 38 - HE2 LYS 39 lone 3 99 - 3 - 3562/6.6=1 HG2 LYS 96 - HE2 LYS 39 lone 3 69 - 5 - HG2 LYS 39 - HE3 LYS 73 lone 3 99 - 3 - HG3 LYS 20 - HE3 LYS 40 poor 3 28 - 11 - HG2 LYS 96 - HE2 LYS 40 lone 2 40 - 5 - HG3 LYS 20 - HE3 LYS 39 lone 2 61 - 3 - HG3 LYS 20 - HE2 LYS 39 lone 2 61 - 3 - HG2 LYS 96 - HE3 LYS 40 lone 2 33 - 5 - HB3 LEU 38 - HE2 LYS 40 lone 1 66 - 1 - HB3 LEU 38 - HE3 LYS 40 lone 1 56 - 1 - HB3 LEU 38 - HE2 LYS 43 lone 1 99 - 1 - HB3 LEU 6 - HE2 LYS 43 lone 1 100 - 1 - HG LEU 4 - HE2 LYS 73 lone 1 98 - 1 - HB3 LEU 38 - HE3 LYS 43 lone 1 94 - 1 - HB3 LEU 38 - HE2 LYS 73 lone 1 99 - 0 - HG LEU 4 - HE3 LYS 73 lone 1 96 - 1 - HB3 LEU 6 - HE3 LYS 43 lone 1 96 - 1 - HB3 LEU 38 - HE3 LYS 73 lone 0 97 - 1 - HB2 LEU 74 - HE3 LYS 39 lone 0 94 - 0 - HB2 LEU 74 - HE2 LYS 39 lone 0 93 - 0 - HB3 LEU 6 - HE3 LYS 39 lone 0 100 - 0 - HB3 LEU 6 - HE2 LYS 39 lone 0 100 - 0 - HG2 LYS 106 - HE3 LYS 39 lone 0 100 - 0 - HG2 LYS 106 - HE2 LYS 39 lone 0 99 - 0 - HG12 ILE 7 - HE3 LYS 39 lone 0 100 - 0 - HG12 ILE 7 - HE2 LYS 39 lone 0 100 - 0 - HB3 LEU 6 - HE2 LYS 73 lone 0 100 - 0 - HB3 LEU 6 - HE3 LYS 73 lone 0 99 - 0 - HG LEU 4 - HE2 LYS 43 lone 0 98 - 0 - HG2 LYS 49 - HE3 LYS 39 lone 0 100 - 0 - HG3 LYS 49 - HE3 LYS 39 lone 0 100 - 0 - HG2 LYS 49 - HE2 LYS 39 lone 0 100 - 0 - HG3 LYS 49 - HE2 LYS 39 lone 0 100 - 0 - HB2 LEU 74 - HE2 LYS 73 lone 0 94 - 0 - HG LEU 4 - HE3 LYS 43 lone 0 92 - 0 - HB2 LEU 74 - HE3 LYS 73 lone 0 91 - 0 - HG2 LYS 49 - HE2 LYS 73 lone 0 100 - 0 - HG3 LYS 49 - HE2 LYS 73 lone 0 100 - 0 - HG3 LYS 49 - HE2 LYS 43 lone 0 100 - 0 - HG2 LYS 49 - HE2 LYS 43 lone 0 100 - 0 - HG2 LYS 49 - HE3 LYS 73 lone 0 99 - 0 - HG3 LYS 49 - HE3 LYS 73 lone 0 99 - 0 - HG12 ILE 57 - HE3 LYS 39 lone 0 100 - 0 - HG12 ILE 57 - HE2 LYS 39 lone 0 99 - 0 - HG3 LYS 44 - HE2 LYS 40 lone 0 35 - 1 - HG3 LYS 49 - HE3 LYS 43 lone 0 96 - 0 - HG2 LYS 49 - HE3 LYS 43 lone 0 96 - 0 - HG LEU 4 - HE3 LYS 39 lone 0 98 - 0 - HG LEU 4 - HE2 LYS 39 lone 0 98 - 0 - HG3 ARG 30 - HE3 LYS 39 lone 0 99 - 0 - HG3 ARG 30 - HE2 LYS 39 lone 0 98 - 0 - HG LEU 80 - HE3 LYS 39 lone 0 73 - 0 - HG12 ILE 7 - HE2 LYS 43 lone 0 100 - 0 - HG LEU 80 - HE2 LYS 39 lone 0 73 - 0 - HG12 ILE 7 - HE2 LYS 73 lone 0 100 - 0 - HG2 LYS 106 - HE2 LYS 40 lone 0 67 - 0 - HG12 ILE 7 - HE3 LYS 43 lone 0 95 - 0 - HG12 ILE 7 - HE3 LYS 73 lone 0 98 - 0 - HG3 ARG 30 - HE2 LYS 43 lone 0 99 - 0 - HG2 LYS 106 - HE2 LYS 43 lone 0 100 - 0 - HG3 ARG 30 - HE2 LYS 73 lone 0 99 - 0 - HG2 LYS 106 - HE2 LYS 73 lone 0 100 - 0 - HG3 LYS 44 - HE3 LYS 40 lone 0 28 - 1 - HG3 ARG 30 - HE3 LYS 73 lone 0 97 - 0 - HG2 LYS 106 - HE3 LYS 73 lone 0 98 - 0 - HG2 LYS 106 - HE3 LYS 43 lone 0 95 - 0 - HG3 ARG 30 - HE3 LYS 43 lone 0 93 - 0 - HB2 LEU 74 - HE2 LYS 43 lone 0 94 - 0 - HG12 ILE 57 - HE2 LYS 43 lone 0 100 - 0 - HG12 ILE 57 - HE2 LYS 73 lone 0 100 - 0 - HG12 ILE 57 - HE3 LYS 73 lone 0 98 - 0 - HB2 LEU 74 - HE3 LYS 43 lone 0 87 - 0 - HG12 ILE 57 - HE3 LYS 43 lone 0 95 - 0 - HB3 LEU 6 - HE2 LYS 40 lone 0 68 - 0 - HG LEU 4 - HE2 LYS 40 lone 0 64 - 0 - HG LEU 80 - HE2 LYS 73 lone 0 73 - 0 - HG12 ILE 7 - HE2 LYS 40 lone 0 68 - 0 - HG LEU 80 - HE2 LYS 43 lone 0 73 - 0 - HG2 LYS 49 - HE2 LYS 40 lone 0 68 - 0 - HG3 LYS 49 - HE2 LYS 40 lone 0 68 - 0 - HG LEU 80 - HE3 LYS 73 lone 0 70 - 0 - HB3 LEU 6 - HE3 LYS 40 lone 0 57 - 0 - HG LEU 4 - HE3 LYS 40 lone 0 54 - 0 - HG12 ILE 57 - HE2 LYS 40 lone 0 67 - 0 - HG LEU 80 - HE3 LYS 43 lone 0 66 - 0 - HG2 LYS 106 - HE3 LYS 40 lone 0 56 - 0 - HB2 LEU 74 - HE2 LYS 40 lone 0 59 - 0 - HG3 ARG 30 - HE2 LYS 40 lone 0 65 - 0 - HG12 ILE 7 - HE3 LYS 40 lone 0 57 - 0 - HG3 LYS 49 - HE3 LYS 40 lone 0 57 - 0 - HG2 LYS 49 - HE3 LYS 40 lone 0 57 - 0 - HG12 ILE 57 - HE3 LYS 40 lone 0 56 - 0 - HG3 ARG 30 - HE3 LYS 40 lone 0 55 - 0 - HB2 LEU 74 - HE3 LYS 40 lone 0 49 - 0 - HG LEU 80 - HE2 LYS 40 lone 0 43 - 0 - HG LEU 80 - HE3 LYS 40 lone 0 35 - 0 - Peak 3643 from cnoeabs.peaks (1.70, 2.98, 41.78 ppm; 2.40 A): 12 out of 192 assignments used, quality = 1.00: HD3 LYS 39 + HE3 LYS 39 OK 65 98 - 67 - 3.0=54, 1.8/3617=5...(12) HD3 LYS 39 + HE2 LYS 39 OK 65 98 - 67 - 3.0=54, 1.8/3617=5...(12) HD2 LYS 39 + HE3 LYS 39 OK 65 97 - 67 - 3.0=54, 1.8/3617=5...(12) HD2 LYS 39 + HE2 LYS 39 OK 64 96 - 67 - 3.0=54, 1.8/3617=5...(12) HD2 LYS 73 + HE2 LYS 73 OK 57 80 - 71 - 2.9=56, 3.0/5197=4...(14) * HG3 LYS 39 + HE3 LYS 39 OK 56 100 - 56 - 3.6=30, 1.8/3642=5...(16) HG3 LYS 39 + HE2 LYS 39 OK 56 100 - 56 - 3.6=30, 1.8/3642=5...(16) HD3 LYS 73 + HE2 LYS 73 OK 55 77 - 71 - 2.9=56, 3.0/5197=4...(14) HD2 LYS 73 + HE3 LYS 73 OK 54 77 - 70 - 2.9=56, 3.0/5197=4...(14) HD3 LYS 43 + HE2 LYS 43 OK 52 77 - 67 - 3.0=52, 2.9/3884=3...(11) HD3 LYS 73 + HE3 LYS 73 OK 52 74 - 70 - 2.9=56, 3.0/5197=4...(14) HD3 LYS 43 + HE3 LYS 43 OK 46 70 - 66 - 3.0=52, 2.9/3884=3...(11) HD2 LYS 40 - HE2 LYS 40 OK 27 40 - 69 - 3.0=53, 1.8/3716=3...(17) HD3 LYS 40 - HE2 LYS 40 OK 26 37 - 69 - 3.0=53, 1.8/3716=3...(17) HD2 LYS 40 - HE3 LYS 40 OK 22 33 - 68 - 3.0=53, 1.8/3716=3...(17) HD3 LYS 40 - HE3 LYS 40 OK 21 31 - 68 - 3.0=53, 1.8/3716=3...(17) HD2 LYS 20 - HE2 LYS 43 OK 15 89 - 16 - 3.0/5198=1, 3.0/3884=1 HD3 LYS 20 - HE2 LYS 43 OK 14 87 - 16 - 3.0/5198=1, 3.0/3884=1 HD2 LYS 20 - HE2 LYS 73 OK 14 89 - 15 - 3.0/5198=1 HD3 LYS 20 - HE2 LYS 73 OK 13 87 - 15 - 3.0/5198=1 HD2 LYS 20 - HE3 LYS 43 OK 12 82 - 15 - HD2 LYS 20 - HE3 LYS 73 OK 12 86 - 14 - HD3 LYS 20 - HE3 LYS 43 OK 12 79 - 15 - HD3 LYS 20 - HE3 LYS 73 OK 12 83 - 14 - HD2 LYS 73 - HE2 LYS 43 OK 10 80 - 13 - 3.0/5197=1, 3.0/5171=1 HD3 LYS 73 - HE2 LYS 43 poor 10 77 - 13 - 3.0/5197=1, 3.0/5171=1 HD2 LYS 73 - HE3 LYS 43 poor 9 73 - 12 - 3.0/5197=1, 3.0/5171=1 HD3 LYS 73 - HE3 LYS 43 poor 8 70 - 12 - 3.0/5197=1, 3.0/5171=1 HD3 LYS 43 - HE2 LYS 73 lone 8 77 - 10 - HD2 LYS 40 - HE2 LYS 43 poor 7 69 - 10 - HD3 LYS 43 - HE3 LYS 73 lone 7 74 - 9 - HD3 LYS 40 - HE2 LYS 43 poor 7 65 - 10 - HD3 LYS 16 - HE2 LYS 40 poor 6 57 - 11 - HD2 LYS 40 - HE3 LYS 43 lone 6 62 - 10 - HD3 LYS 40 - HE3 LYS 43 lone 6 58 - 10 - HD2 LYS 16 - HE2 LYS 40 poor 5 50 - 11 - HD3 LYS 16 - HE3 LYS 40 poor 5 48 - 10 - HD2 LYS 44 - HE3 LYS 39 lone 5 100 - 5 - HD3 LYS 44 - HE3 LYS 39 lone 5 99 - 5 - HD2 LYS 44 - HE2 LYS 39 lone 5 100 - 5 - HD3 LYS 44 - HE2 LYS 39 lone 5 99 - 5 - HD2 LYS 20 - HE2 LYS 40 lone 4 55 - 8 - HD2 LYS 40 - HE2 LYS 73 lone 4 69 - 6 - HD3 LYS 20 - HE2 LYS 40 lone 4 53 - 8 - HD2 LYS 16 - HE3 LYS 40 poor 4 42 - 10 - HD3 LYS 96 - HE2 LYS 73 lone 4 73 - 6 - HD3 LYS 40 - HE2 LYS 73 lone 4 65 - 6 - HD3 LYS 96 - HE3 LYS 73 lone 4 70 - 6 - HD2 LYS 40 - HE3 LYS 73 lone 4 66 - 6 - HG3 LYS 39 - HE2 LYS 43 lone 4 100 - 4 - HD2 LYS 20 - HE3 LYS 40 lone 4 46 - 8 - HD2 LYS 96 - HE2 LYS 73 lone 4 65 - 6 - HD2 LYS 44 - HE2 LYS 43 lone 4 100 - 4 - HD2 LYS 44 - HE2 LYS 73 lone 4 100 - 4 - HD3 LYS 44 - HE2 LYS 43 lone 4 99 - 4 - HD3 LYS 44 - HE2 LYS 73 lone 4 99 - 4 - HD3 LYS 20 - HE3 LYS 40 lone 4 44 - 8 - HD3 LYS 40 - HE3 LYS 73 lone 4 62 - 6 - HD2 LYS 44 - HE3 LYS 73 lone 4 98 - 4 - HD3 LYS 44 - HE3 LYS 73 lone 3 97 - 4 - HD3 LYS 96 - HE2 LYS 43 lone 3 73 - 5 - HG3 LYS 39 - HE3 LYS 43 lone 3 96 - 4 - HD2 LYS 44 - HE3 LYS 43 lone 3 95 - 4 - HD2 LYS 96 - HE3 LYS 73 lone 3 62 - 6 - HD3 LYS 44 - HE3 LYS 43 lone 3 94 - 4 - HD2 LYS 40 - HE3 LYS 39 lone 3 70 - 5 - HD3 LYS 43 - HE2 LYS 40 lone 3 45 - 7 - HD2 LYS 96 - HE2 LYS 43 lone 3 65 - 5 - HD3 LYS 96 - HE3 LYS 43 lone 3 66 - 5 - HG3 LYS 39 - HE2 LYS 40 lone 3 68 - 5 - HD2 LYS 40 - HE2 LYS 39 lone 3 69 - 4 - HD3 LYS 40 - HE3 LYS 39 lone 3 65 - 5 - HD3 LYS 40 - HE2 LYS 39 lone 3 65 - 4 - HD2 LYS 96 - HE3 LYS 43 lone 3 58 - 5 - HD3 LYS 39 - HE2 LYS 43 lone 3 98 - 3 - HD2 LYS 39 - HE2 LYS 43 lone 3 97 - 3 - HD3 LYS 43 - HE3 LYS 40 lone 3 37 - 7 - HD3 LYS 39 - HE3 LYS 43 lone 2 92 - 3 - HD2 LYS 39 - HE3 LYS 43 lone 2 90 - 3 - HG3 LYS 39 - HE2 LYS 73 lone 2 100 - 2 - HG3 LYS 39 - HE3 LYS 40 lone 2 57 - 4 - HD2 LYS 73 - HE3 LYS 39 lone 2 81 - 3 - HG3 LYS 39 - HE3 LYS 73 lone 2 99 - 2 - HD2 LYS 73 - HE2 LYS 39 lone 2 80 - 3 - HD3 LYS 73 - HE3 LYS 39 lone 2 77 - 3 - HD3 LYS 73 - HE2 LYS 39 lone 2 76 - 3 - HG3 LYS 123 - HE3 LYS 39 lone 2 100 - 2 - HG3 LYS 123 - HE2 LYS 39 lone 2 100 - 2 - HD3 LYS 39 - HE2 LYS 40 lone 2 64 - 3 - HD3 LYS 39 - HE2 LYS 73 lone 2 98 - 2 - HD2 LYS 39 - HE2 LYS 40 lone 2 63 - 3 - HD3 LYS 96 - HE3 LYS 39 lone 2 73 - 2 - HD2 LYS 39 - HE2 LYS 73 lone 2 97 - 2 - HD2 LYS 20 - HE3 LYS 39 lone 2 90 - 2 - HD3 LYS 96 - HE2 LYS 39 lone 2 73 - 2 - HD3 LYS 39 - HE3 LYS 73 lone 2 96 - 2 - HD2 LYS 20 - HE2 LYS 39 lone 2 89 - 2 - HD3 LYS 20 - HE3 LYS 39 lone 2 87 - 2 - HD2 LYS 73 - HE2 LYS 40 lone 2 48 - 4 - HD2 LYS 39 - HE3 LYS 73 lone 2 94 - 2 - HD3 LYS 20 - HE2 LYS 39 lone 2 86 - 2 - HD3 LYS 43 - HE3 LYS 39 lone 2 77 - 2 - HD3 LYS 43 - HE2 LYS 39 lone 2 76 - 2 - HD3 LYS 73 - HE2 LYS 40 lone 2 45 - 4 - HD2 LYS 96 - HE3 LYS 39 lone 2 65 - 2 - HD2 LYS 96 - HE2 LYS 39 lone 2 65 - 2 - HD2 LYS 73 - HE3 LYS 40 lone 1 39 - 4 - HD3 LYS 73 - HE3 LYS 40 lone 1 37 - 4 - HD3 LYS 39 - HE3 LYS 40 lone 1 54 - 3 - HD2 LYS 39 - HE3 LYS 40 lone 1 52 - 3 - HD3 LYS 96 - HE2 LYS 40 lone 1 43 - 3 - HD2 LYS 96 - HE2 LYS 40 lone 1 37 - 3 - HD3 LYS 16 - HE2 LYS 73 lone 1 92 - 1 - HD3 LYS 96 - HE3 LYS 40 lone 1 35 - 3 - HD3 LYS 16 - HE3 LYS 73 lone 1 89 - 1 - HD2 LYS 16 - HE2 LYS 73 lone 1 84 - 1 - HD2 LYS 16 - HE3 LYS 73 lone 1 80 - 1 - HD2 LYS 96 - HE3 LYS 40 lone 1 31 - 3 - HD3 LYS 16 - HE2 LYS 43 lone 1 92 - 1 - HD2 LYS 16 - HE2 LYS 43 lone 1 84 - 1 - HD3 LYS 16 - HE3 LYS 43 lone 1 84 - 1 - HG12 ILE 71 - HE2 LYS 73 lone 1 99 - 1 - HG12 ILE 71 - HE3 LYS 73 lone 1 97 - 1 - HD2 LYS 16 - HE3 LYS 43 lone 1 76 - 1 - HG LEU 74 - HE2 LYS 73 lone 0 99 - 0 - HD3 LYS 16 - HE3 LYS 39 lone 0 92 - 0 - HD3 LYS 16 - HE2 LYS 39 lone 0 91 - 0 - HG LEU 74 - HE3 LYS 73 lone 0 97 - 0 - HG3 LYS 123 - HE2 LYS 43 lone 0 100 - 0 - HD2 LYS 16 - HE3 LYS 39 lone 0 84 - 0 - HD2 LYS 16 - HE2 LYS 39 lone 0 83 - 0 - HG3 LYS 123 - HE3 LYS 43 lone 0 96 - 0 - HG3 LYS 123 - HE2 LYS 73 lone 0 100 - 0 - HD2 LYS 44 - HE2 LYS 40 lone 0 68 - 1 - HD3 LYS 44 - HE2 LYS 40 lone 0 66 - 1 - HG3 LYS 123 - HE3 LYS 73 lone 0 99 - 0 - HD2 LYS 44 - HE3 LYS 40 lone 0 57 - 1 - HG3 LYS 123 - HE2 LYS 40 lone 0 68 - 0 - HD3 LYS 44 - HE3 LYS 40 lone 0 56 - 1 - HD2 LYS 17 - HE2 LYS 43 lone 0 65 - 0 - HG LEU 74 - HE3 LYS 39 lone 0 99 - 0 - HG LEU 74 - HE2 LYS 39 lone 0 98 - 0 - HD2 LYS 17 - HE3 LYS 43 lone 0 58 - 0 - HG3 LYS 123 - HE3 LYS 40 lone 0 57 - 0 - HG12 ILE 71 - HE3 LYS 39 lone 0 99 - 0 - HD2 LYS 17 - HE2 LYS 40 lone 0 37 - 1 - HG12 ILE 71 - HE2 LYS 43 lone 0 99 - 0 - HG12 ILE 71 - HE2 LYS 39 lone 0 98 - 0 - HG LEU 74 - HE2 LYS 43 lone 0 99 - 0 - HG12 ILE 71 - HE3 LYS 43 lone 0 93 - 0 - HB ILE 56 - HE2 LYS 43 lone 0 92 - 0 - HG LEU 74 - HE3 LYS 43 lone 0 93 - 0 - HD2 LYS 17 - HE2 LYS 73 lone 0 65 - 0 - HB ILE 56 - HE3 LYS 43 lone 0 84 - 0 - HD2 LYS 17 - HE3 LYS 40 lone 0 31 - 1 - HD2 LYS 17 - HE3 LYS 73 lone 0 62 - 0 - HB ILE 56 - HE2 LYS 73 lone 0 92 - 0 - HB ILE 56 - HE3 LYS 73 lone 0 89 - 0 - HB ILE 56 - HE3 LYS 39 lone 0 92 - 0 - HB3 LYS 106 - HE3 LYS 39 lone 0 73 - 0 - HB ILE 56 - HE2 LYS 39 lone 0 91 - 0 - HB3 LYS 106 - HE2 LYS 39 lone 0 73 - 0 - HD2 LYS 17 - HE3 LYS 39 lone 0 65 - 0 - HD2 LYS 17 - HE2 LYS 39 lone 0 65 - 0 - HB2 LYS 106 - HE3 LYS 39 lone 0 65 - 0 - HB3 LYS 106 - HE2 LYS 73 lone 0 73 - 0 - HB2 LYS 106 - HE2 LYS 39 lone 0 65 - 0 - HB3 LYS 106 - HE2 LYS 43 lone 0 73 - 0 - HB3 LYS 106 - HE3 LYS 73 lone 0 70 - 0 - HB ILE 54 - HE2 LYS 73 lone 0 69 - 0 - HB ILE 54 - HE3 LYS 39 lone 0 70 - 0 - HB ILE 54 - HE2 LYS 39 lone 0 69 - 0 - HB ILE 54 - HE3 LYS 73 lone 0 66 - 0 - HB ILE 54 - HE2 LYS 43 lone 0 69 - 0 - HB2 LYS 106 - HE2 LYS 73 lone 0 65 - 0 - HB2 LYS 106 - HE2 LYS 43 lone 0 65 - 0 - HB3 LYS 106 - HE3 LYS 43 lone 0 66 - 0 - HG LEU 74 - HE2 LYS 40 lone 0 65 - 0 - HG12 ILE 71 - HE2 LYS 40 lone 0 65 - 0 - HB2 LYS 106 - HE3 LYS 73 lone 0 62 - 0 - HB ILE 54 - HE3 LYS 43 lone 0 62 - 0 - HB2 LYS 106 - HE3 LYS 43 lone 0 58 - 0 - HG12 ILE 71 - HE3 LYS 40 lone 0 55 - 0 - HG LEU 74 - HE3 LYS 40 lone 0 55 - 0 - HB ILE 56 - HE2 LYS 40 lone 0 57 - 0 - HB3 LYS 106 - HE2 LYS 40 lone 0 43 - 0 - HB2 LYS 106 - HE2 LYS 40 lone 0 37 - 0 - HB ILE 54 - HE2 LYS 40 lone 0 40 - 0 - HB ILE 56 - HE3 LYS 40 lone 0 48 - 0 - HB ILE 54 - HE3 LYS 40 lone 0 33 - 0 - HB3 LYS 106 - HE3 LYS 40 lone 0 35 - 0 - HB2 LYS 106 - HE3 LYS 40 lone 0 31 - 0 - Peak 3644 from cnoeabs.peaks (1.71, 2.98, 41.78 ppm; 2.40 A): 6 out of 120 assignments used, quality = 1.00: * HD2 LYS 39 + HE3 LYS 39 OK 67 100 - 67 - 3.0=54, 3617/1.8=5...(12) HD3 LYS 39 + HE3 LYS 39 OK 67 100 - 67 - 3.0=54, 3617/1.8=5...(12) HD2 LYS 39 + HE2 LYS 39 OK 67 100 - 67 - 3.0=54, 3617/1.8=5...(12) HD3 LYS 39 + HE2 LYS 39 OK 67 100 - 67 - 3.0=54, 3617/1.8=5...(12) HG3 LYS 39 + HE3 LYS 39 OK 54 97 - 56 - 3.6=30, 1.8/3642=5...(16) HG3 LYS 39 + HE2 LYS 39 OK 54 96 - 56 - 3.6=30, 1.8/3642=5...(16) HD2 LYS 20 - HE2 LYS 43 OK 10 65 - 16 - 3.0/5198=1, 3.0/3884=1 HD3 LYS 20 - HE2 LYS 43 poor 10 61 - 16 - 3.0/5198=1, 3.0/3884=1 HD2 LYS 20 - HE2 LYS 73 poor 9 65 - 15 - 3.0/5198=1 HD3 LYS 20 - HE2 LYS 73 poor 9 61 - 15 - 3.0/5198=1 HD2 LYS 20 - HE3 LYS 73 poor 8 62 - 13 - HD2 LYS 20 - HE3 LYS 43 poor 8 58 - 14 - HD3 LYS 20 - HE3 LYS 73 poor 8 58 - 13 - HD3 LYS 20 - HE3 LYS 43 poor 8 55 - 14 - HD3 LYS 44 - HE3 LYS 39 lone 5 100 - 5 - HD3 LYS 44 - HE2 LYS 39 lone 5 99 - 5 - HD2 LYS 44 - HE3 LYS 39 lone 5 99 - 5 - HD2 LYS 44 - HE2 LYS 39 lone 4 98 - 5 - HD3 LYS 16 - HE2 LYS 40 lone 4 40 - 10 - HG3 LYS 39 - HE2 LYS 43 lone 4 97 - 4 - HD3 LYS 44 - HE2 LYS 73 lone 4 100 - 4 - HD2 LYS 44 - HE2 LYS 73 lone 4 99 - 4 - HD3 LYS 44 - HE2 LYS 43 lone 4 100 - 4 - HD2 LYS 44 - HE2 LYS 43 lone 3 99 - 4 - HD3 LYS 44 - HE3 LYS 73 lone 3 98 - 3 - HD2 LYS 44 - HE3 LYS 73 lone 3 97 - 3 - HD3 LYS 44 - HE3 LYS 43 lone 3 95 - 4 - HD2 LYS 44 - HE3 LYS 43 lone 3 93 - 4 - HG3 LYS 39 - HE3 LYS 43 lone 3 90 - 4 - HD3 LYS 16 - HE3 LYS 40 lone 3 33 - 9 - HG3 LYS 39 - HE2 LYS 40 lone 3 63 - 4 - HD2 LYS 20 - HE2 LYS 40 lone 3 37 - 7 - HD3 LYS 39 - HE2 LYS 43 lone 3 100 - 3 - HD2 LYS 39 - HE2 LYS 43 lone 3 100 - 3 - HD3 LYS 20 - HE2 LYS 40 lone 3 35 - 7 - HD2 LYS 39 - HE3 LYS 43 lone 2 96 - 3 - HD3 LYS 39 - HE3 LYS 43 lone 2 96 - 3 - HD2 LYS 20 - HE3 LYS 40 lone 2 31 - 8 - HG3 LYS 39 - HE2 LYS 73 lone 2 97 - 2 - HD3 LYS 20 - HE3 LYS 40 lone 2 28 - 8 - HG3 LYS 39 - HE3 LYS 40 lone 2 52 - 4 - HG3 LYS 39 - HE3 LYS 73 lone 2 94 - 2 - HD2 LYS 39 - HE2 LYS 40 lone 2 68 - 3 - HD3 LYS 39 - HE2 LYS 40 lone 2 68 - 3 - HG3 LYS 123 - HE3 LYS 39 lone 2 97 - 2 - HG3 LYS 123 - HE2 LYS 39 lone 2 96 - 2 - HD3 LYS 39 - HE2 LYS 73 lone 2 100 - 2 - HD2 LYS 39 - HE2 LYS 73 lone 2 100 - 2 - HD2 LYS 39 - HE3 LYS 73 lone 2 99 - 2 - HD3 LYS 39 - HE3 LYS 73 lone 2 99 - 2 - HD2 LYS 39 - HE3 LYS 40 lone 1 57 - 3 - HD3 LYS 39 - HE3 LYS 40 lone 1 57 - 3 - HD2 LYS 20 - HE3 LYS 39 lone 1 65 - 2 - HD2 LYS 20 - HE2 LYS 39 lone 1 65 - 2 - HD3 LYS 20 - HE3 LYS 39 lone 1 61 - 2 - HD3 LYS 20 - HE2 LYS 39 lone 1 61 - 2 - HD3 LYS 16 - HE2 LYS 73 lone 1 69 - 1 - HD3 LYS 16 - HE3 LYS 73 lone 1 66 - 1 - HG LEU 74 - HE2 LYS 73 lone 0 100 - 0 - HG12 ILE 71 - HE2 LYS 73 lone 0 87 - 0 - HG LEU 74 - HE3 LYS 73 lone 0 98 - 0 - HD3 LYS 16 - HE2 LYS 43 lone 0 69 - 1 - HG3 LYS 123 - HE2 LYS 43 lone 0 97 - 0 - HG12 ILE 71 - HE3 LYS 73 lone 0 83 - 0 - HG3 LYS 123 - HE3 LYS 43 lone 0 90 - 0 - HD3 LYS 44 - HE2 LYS 40 lone 0 67 - 1 - HD2 LYS 44 - HE2 LYS 40 lone 0 65 - 1 - HG3 LYS 123 - HE2 LYS 73 lone 0 97 - 0 - HD3 LYS 16 - HE3 LYS 43 lone 0 62 - 1 - HG3 LYS 123 - HE3 LYS 73 lone 0 94 - 0 - HD3 LYS 16 - HE3 LYS 39 lone 0 70 - 0 - HD3 LYS 16 - HE2 LYS 39 lone 0 69 - 0 - HD3 LYS 44 - HE3 LYS 40 lone 0 56 - 1 - HD2 LYS 44 - HE3 LYS 40 lone 0 55 - 1 - HG3 LYS 123 - HE2 LYS 40 lone 0 63 - 0 - HG LEU 74 - HE3 LYS 39 lone 0 100 - 0 - HG LEU 74 - HE2 LYS 39 lone 0 100 - 0 - HB3 LYS 106 - HE3 LYS 39 lone 0 94 - 0 - HB3 LYS 106 - HE2 LYS 39 lone 0 93 - 0 - HG LEU 74 - HE2 LYS 43 lone 0 100 - 0 - HB2 LYS 106 - HE3 LYS 39 lone 0 90 - 0 - HB2 LYS 106 - HE2 LYS 39 lone 0 89 - 0 - HG3 LYS 123 - HE3 LYS 40 lone 0 52 - 0 - HG LEU 74 - HE3 LYS 43 lone 0 95 - 0 - HG12 ILE 71 - HE3 LYS 39 lone 0 87 - 0 - HG12 ILE 71 - HE2 LYS 39 lone 0 86 - 0 - HG12 ILE 71 - HE2 LYS 43 lone 0 87 - 0 - HB3 LYS 106 - HE2 LYS 73 lone 0 94 - 0 - HB3 LYS 106 - HE2 LYS 43 lone 0 94 - 0 - HB3 LYS 106 - HE3 LYS 73 lone 0 91 - 0 - HB2 LYS 106 - HE2 LYS 73 lone 0 89 - 0 - HB2 LYS 106 - HE2 LYS 43 lone 0 89 - 0 - HB3 LYS 106 - HE3 LYS 43 lone 0 87 - 0 - HG12 ILE 71 - HE3 LYS 43 lone 0 79 - 0 - HB2 LYS 106 - HE3 LYS 73 lone 0 86 - 0 - HB2 LYS 106 - HE3 LYS 43 lone 0 82 - 0 - HB ILE 56 - HE2 LYS 43 lone 0 69 - 0 - HB3 LYS 106 - HE2 LYS 40 lone 0 59 - 0 - HB3 LEU 90 - HE2 LYS 73 lone 0 69 - 0 - HB3 LEU 90 - HE3 LYS 39 lone 0 70 - 0 - HG LEU 74 - HE2 LYS 40 lone 0 68 - 0 - HB3 LEU 90 - HE2 LYS 43 lone 0 69 - 0 - HB3 LEU 90 - HE2 LYS 39 lone 0 69 - 0 - HB2 LYS 106 - HE2 LYS 40 lone 0 55 - 0 - HB ILE 56 - HE3 LYS 43 lone 0 62 - 0 - HB ILE 56 - HE2 LYS 73 lone 0 69 - 0 - HB ILE 56 - HE3 LYS 39 lone 0 70 - 0 - HB ILE 56 - HE2 LYS 39 lone 0 69 - 0 - HB ILE 56 - HE3 LYS 73 lone 0 66 - 0 - HB3 LEU 90 - HE3 LYS 73 lone 0 66 - 0 - HG LEU 74 - HE3 LYS 40 lone 0 57 - 0 - HB3 LEU 90 - HE3 LYS 43 lone 0 62 - 0 - HB3 LEU 90 - HE2 LYS 40 lone 0 40 - 0 - HB3 LYS 106 - HE3 LYS 40 lone 0 49 - 0 - HG12 ILE 71 - HE2 LYS 40 lone 0 53 - 0 - HB2 LYS 106 - HE3 LYS 40 lone 0 46 - 0 - HG12 ILE 71 - HE3 LYS 40 lone 0 44 - 0 - HB3 LEU 90 - HE3 LYS 40 lone 0 33 - 0 - HB ILE 56 - HE2 LYS 40 lone 0 40 - 0 - HB ILE 56 - HE3 LYS 40 lone 0 33 - 0 - Peak 3645 from cnoeabs.peaks (1.70, 2.98, 41.78 ppm; 2.40 A): 6 out of 128 assignments used, quality = 1.00: * HD3 LYS 39 + HE3 LYS 39 OK 67 100 - 67 - 3.0=54, 3617/1.8=5...(12) HD2 LYS 39 + HE3 LYS 39 OK 67 100 - 67 - 3.0=54, 3617/1.8=5...(12) HD3 LYS 39 + HE2 LYS 39 OK 67 100 - 67 - 3.0=54, 3617/1.8=5...(12) HD2 LYS 39 + HE2 LYS 39 OK 67 100 - 67 - 3.0=54, 3617/1.8=5...(12) HG3 LYS 39 + HE3 LYS 39 OK 55 98 - 56 - 3.6=30, 1.8/3642=5...(16) HG3 LYS 39 + HE2 LYS 39 OK 55 98 - 56 - 3.6=30, 1.8/3642=5...(16) HD2 LYS 20 - HE2 LYS 43 OK 11 69 - 16 - 3.0/5198=1, 3.0/3884=1 HD3 LYS 20 - HE2 LYS 43 OK 10 65 - 16 - 3.0/5198=1, 3.0/3884=1 HD2 LYS 20 - HE2 LYS 73 OK 10 69 - 15 - 3.0/5198=1 HD3 LYS 20 - HE2 LYS 73 poor 10 65 - 15 - 3.0/5198=1 HD2 LYS 20 - HE3 LYS 43 poor 9 62 - 14 - HD2 LYS 20 - HE3 LYS 73 poor 9 66 - 13 - HD3 LYS 20 - HE3 LYS 43 poor 8 58 - 14 - HD3 LYS 20 - HE3 LYS 73 poor 8 62 - 13 - HD3 LYS 44 - HE3 LYS 39 lone 5 100 - 5 - HD3 LYS 44 - HE2 LYS 39 lone 5 100 - 5 - HD2 LYS 44 - HE3 LYS 39 lone 5 99 - 5 - HD2 LYS 44 - HE2 LYS 39 lone 5 99 - 5 - HD3 LYS 16 - HE2 LYS 40 lone 4 43 - 10 - HG3 LYS 39 - HE2 LYS 43 lone 4 98 - 4 - HD2 LYS 44 - HE2 LYS 73 lone 4 99 - 4 - HD3 LYS 44 - HE2 LYS 73 lone 4 100 - 4 - HD3 LYS 44 - HE2 LYS 43 lone 4 100 - 4 - HD2 LYS 44 - HE2 LYS 43 lone 4 99 - 4 - HD3 LYS 44 - HE3 LYS 73 lone 3 98 - 3 - HD2 LYS 44 - HE3 LYS 73 lone 3 97 - 4 - HD3 LYS 44 - HE3 LYS 43 lone 3 95 - 4 - HD2 LYS 44 - HE3 LYS 43 lone 3 94 - 4 - HG3 LYS 39 - HE3 LYS 43 lone 3 92 - 4 - HD2 LYS 16 - HE2 LYS 40 lone 3 35 - 10 - HD3 LYS 16 - HE3 LYS 40 lone 3 35 - 9 - HD2 LYS 20 - HE2 LYS 40 lone 3 40 - 8 - HG3 LYS 39 - HE2 LYS 40 lone 3 64 - 4 - HD3 LYS 20 - HE2 LYS 40 lone 3 37 - 8 - HD3 LYS 39 - HE2 LYS 43 lone 3 100 - 3 - HD2 LYS 39 - HE2 LYS 43 lone 3 100 - 3 - HD2 LYS 20 - HE3 LYS 40 lone 3 33 - 8 - HD3 LYS 39 - HE3 LYS 43 lone 2 96 - 3 - HD2 LYS 39 - HE3 LYS 43 lone 2 96 - 3 - HD2 LYS 16 - HE3 LYS 40 lone 2 28 - 9 - HD3 LYS 20 - HE3 LYS 40 lone 2 31 - 8 - HG3 LYS 39 - HE2 LYS 73 lone 2 98 - 2 - HG3 LYS 39 - HE3 LYS 40 lone 2 54 - 4 - HG3 LYS 39 - HE3 LYS 73 lone 2 96 - 2 - HD3 LYS 39 - HE2 LYS 40 lone 2 68 - 3 - HD2 LYS 39 - HE2 LYS 40 lone 2 68 - 3 - HG3 LYS 123 - HE3 LYS 39 lone 2 98 - 2 - HG3 LYS 123 - HE2 LYS 39 lone 2 98 - 2 - HD3 LYS 39 - HE2 LYS 73 lone 2 100 - 2 - HD2 LYS 39 - HE2 LYS 73 lone 2 100 - 2 - HD3 LYS 39 - HE3 LYS 73 lone 2 99 - 2 - HD2 LYS 39 - HE3 LYS 73 lone 2 99 - 2 - HD3 LYS 39 - HE3 LYS 40 lone 1 57 - 3 - HD2 LYS 39 - HE3 LYS 40 lone 1 57 - 3 - HD2 LYS 20 - HE3 LYS 39 lone 1 70 - 2 - HD2 LYS 20 - HE2 LYS 39 lone 1 69 - 2 - HD3 LYS 20 - HE3 LYS 39 lone 1 65 - 2 - HD3 LYS 20 - HE2 LYS 39 lone 1 65 - 2 - HD3 LYS 16 - HE2 LYS 73 lone 1 73 - 1 - HD3 LYS 16 - HE3 LYS 73 lone 1 70 - 1 - HD2 LYS 16 - HE2 LYS 73 lone 1 61 - 1 - HD2 LYS 16 - HE3 LYS 73 lone 0 58 - 1 - HD3 LYS 16 - HE2 LYS 43 lone 0 73 - 1 - HG LEU 74 - HE2 LYS 73 lone 0 100 - 0 - HG12 ILE 71 - HE2 LYS 73 lone 0 89 - 0 - HG12 ILE 71 - HE3 LYS 73 lone 0 86 - 0 - HG LEU 74 - HE3 LYS 73 lone 0 99 - 0 - HG3 LYS 123 - HE2 LYS 43 lone 0 98 - 0 - HD3 LYS 16 - HE3 LYS 43 lone 0 66 - 1 - HG3 LYS 123 - HE3 LYS 43 lone 0 92 - 0 - HD2 LYS 16 - HE2 LYS 43 lone 0 61 - 1 - HD3 LYS 44 - HE2 LYS 40 lone 0 68 - 1 - HD2 LYS 44 - HE2 LYS 40 lone 0 66 - 1 - HG3 LYS 123 - HE2 LYS 73 lone 0 98 - 0 - HD3 LYS 16 - HE3 LYS 39 lone 0 73 - 0 - HG3 LYS 123 - HE3 LYS 73 lone 0 96 - 0 - HD3 LYS 16 - HE2 LYS 39 lone 0 73 - 0 - HD2 LYS 16 - HE3 LYS 43 lone 0 55 - 1 - HD3 LYS 44 - HE3 LYS 40 lone 0 57 - 1 - HD2 LYS 44 - HE3 LYS 40 lone 0 56 - 1 - HG3 LYS 123 - HE2 LYS 40 lone 0 64 - 0 - HD2 LYS 16 - HE3 LYS 39 lone 0 61 - 0 - HD2 LYS 16 - HE2 LYS 39 lone 0 61 - 0 - HG LEU 74 - HE3 LYS 39 lone 0 100 - 0 - HG LEU 74 - HE2 LYS 39 lone 0 100 - 0 - HG LEU 74 - HE2 LYS 43 lone 0 100 - 0 - HB3 LYS 106 - HE3 LYS 39 lone 0 92 - 0 - HB3 LYS 106 - HE2 LYS 39 lone 0 91 - 0 - HG3 LYS 123 - HE3 LYS 40 lone 0 54 - 0 - HG12 ILE 71 - HE3 LYS 39 lone 0 90 - 0 - HG12 ILE 71 - HE2 LYS 39 lone 0 89 - 0 - HG LEU 74 - HE3 LYS 43 lone 0 96 - 0 - HB2 LYS 106 - HE3 LYS 39 lone 0 87 - 0 - HB2 LYS 106 - HE2 LYS 39 lone 0 86 - 0 - HG12 ILE 71 - HE2 LYS 43 lone 0 89 - 0 - HB3 LYS 106 - HE2 LYS 73 lone 0 92 - 0 - HB3 LYS 106 - HE2 LYS 43 lone 0 92 - 0 - HG12 ILE 71 - HE3 LYS 43 lone 0 82 - 0 - HB3 LYS 106 - HE3 LYS 73 lone 0 89 - 0 - HB2 LYS 106 - HE2 LYS 73 lone 0 87 - 0 - HB2 LYS 106 - HE2 LYS 43 lone 0 87 - 0 - HB3 LYS 106 - HE3 LYS 43 lone 0 84 - 0 - HB2 LYS 106 - HE3 LYS 73 lone 0 83 - 0 - HB2 LYS 106 - HE3 LYS 43 lone 0 79 - 0 - HB ILE 56 - HE2 LYS 43 lone 0 73 - 0 - HB ILE 56 - HE3 LYS 43 lone 0 66 - 0 - HB3 LYS 106 - HE2 LYS 40 lone 0 57 - 0 - HG LEU 74 - HE2 LYS 40 lone 0 68 - 0 - HB ILE 56 - HE2 LYS 73 lone 0 73 - 0 - HB ILE 56 - HE3 LYS 39 lone 0 73 - 0 - HB ILE 56 - HE2 LYS 39 lone 0 73 - 0 - HB ILE 56 - HE3 LYS 73 lone 0 70 - 0 - HB3 LEU 90 - HE2 LYS 73 lone 0 65 - 0 - HB3 LEU 90 - HE3 LYS 39 lone 0 65 - 0 - HB3 LEU 90 - HE2 LYS 43 lone 0 65 - 0 - HB3 LEU 90 - HE2 LYS 39 lone 0 65 - 0 - HB2 LYS 106 - HE2 LYS 40 lone 0 53 - 0 - HG LEU 74 - HE3 LYS 40 lone 0 57 - 0 - HB3 LEU 90 - HE3 LYS 73 lone 0 62 - 0 - HG12 ILE 71 - HE2 LYS 40 lone 0 55 - 0 - HB3 LEU 90 - HE3 LYS 43 lone 0 58 - 0 - HB3 LYS 106 - HE3 LYS 40 lone 0 48 - 0 - HB3 LEU 90 - HE2 LYS 40 lone 0 37 - 0 - HB2 LYS 106 - HE3 LYS 40 lone 0 44 - 0 - HG12 ILE 71 - HE3 LYS 40 lone 0 46 - 0 - HB3 LEU 90 - HE3 LYS 40 lone 0 31 - 0 - HB ILE 56 - HE2 LYS 40 lone 0 43 - 0 - HB ILE 56 - HE3 LYS 40 lone 0 35 - 0 - Peak 3646 from cnoeabs.peaks (2.98, 2.98, 41.78 ppm; diagonal): 7 out of 8 assignments used, quality = 1.00: HE2 LYS 43 + HE2 LYS 43 OK 100 100 - 100 HE3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 HE2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 HE2 LYS 73 + HE2 LYS 73 OK 100 100 - 100 HE3 LYS 73 + HE3 LYS 73 OK 98 98 - 100 HE3 LYS 43 + HE3 LYS 43 OK 94 94 - 100 HE2 LYS 40 + HE2 LYS 40 OK 55 55 - 100 HE3 LYS 40 - HE3 LYS 40 OK 42 42 - 100 Reference assignment not found: HE2 LYS 39 - HE3 LYS 39 Peak 3647 from cnoeabs.peaks (2.98, 2.98, 41.78 ppm; diagonal): 7 out of 8 assignments used, quality = 1.00: * HE3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 HE2 LYS 43 + HE2 LYS 43 OK 100 100 - 100 HE2 LYS 73 + HE2 LYS 73 OK 100 100 - 100 HE2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 HE3 LYS 73 + HE3 LYS 73 OK 97 97 - 100 HE3 LYS 43 + HE3 LYS 43 OK 92 92 - 100 HE2 LYS 40 + HE2 LYS 40 OK 50 50 - 100 HE3 LYS 40 - HE3 LYS 40 OK 37 37 - 100 Peak 3648 from cnoeabs.peaks (7.78, 4.02, 59.59 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 40 + HA LYS 40 OK 100 100 - 100 - 3.0=100 Peak 3649 from cnoeabs.peaks (4.02, 4.02, 59.59 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LYS 40 + HA LYS 40 OK 100 100 - 100 HA GLU 119 + HA GLU 119 OK 93 93 - 100 Peak 3650 from cnoeabs.peaks (1.99, 4.02, 59.59 ppm; 2.86 A): 1 out of 12 assignments used, quality = 0.95: * HB2 LYS 40 + HA LYS 40 OK 95 100 - 95 - 3.0=86, 1251/3.0=18...(16) HB3 LYS 96 - HA LYS 40 OK 17 61 - 27 - 1251/3.0=5, 1.8/8065=5...(10) HB2 LYS 17 - HA LYS 40 lone 6 100 - 6 - 4.0/1989=3, 4.6/8062=1 HB2 LYS 40 - HA GLU 119 lone 2 96 - 2 - HB3 GLU 103 - HA LYS 40 lone 2 100 - 2 - HB3 GLU 103 - HA GLU 119 lone 1 95 - 1 - HB2 LYS 17 - HA GLU 119 lone 1 95 - 1 - HB VAL 22 - HA LYS 40 lone 1 98 - 1 - HB3 GLU 21 - HA LYS 40 lone 0 70 - 1 - HB VAL 22 - HA GLU 119 lone 0 92 - 1 - HB3 GLU 21 - HA GLU 119 lone 0 63 - 1 - HB3 LYS 96 - HA GLU 119 lone 0 55 - 0 - Peak 3651 from cnoeabs.peaks (1.95, 4.02, 59.59 ppm; 2.81 A): 2 out of 34 assignments used, quality = 0.95: * HB3 LYS 40 + HA LYS 40 OK 92 100 - 92 - 3.0=81, 2.7/3689=14...(13) HB3 LYS 39 + HA LYS 40 OK 33 100 - 34 - 7474/3.0=9, ~7473=4...(12) HB2 LYS 39 - HA LYS 40 OK 29 90 - 32 - 7473/3.0=7, ~7474=4...(11) HB3 GLU 41 - HA LYS 40 OK 15 99 - 15 - 1261/3.6=4, 4.7/8062=4...(4) HB2 GLU 41 - HA LYS 40 OK 15 99 - 15 - 1261/3.6=4, 4.7/8062=4...(4) HB3 MET 42 - HA LYS 40 OK 13 99 - 14 - 4.6/8063=7, 3.9/8062=5 HB3 LYS 115 - HA GLU 119 lone 6 82 - 8 - ~8266=4, ~2217=2 HB2 LYS 115 - HA GLU 119 lone 5 63 - 8 - ~8266=4, ~2217=2 HB2 LYS 123 - HA LYS 40 lone 3 90 - 3 - HB3 LYS 40 - HA GLU 119 lone 2 96 - 2 - HB3 MET 42 - HA GLU 119 lone 2 93 - 2 - 4.6/8063=1 HB3 LYS 115 - HA LYS 40 lone 2 90 - 2 - HB2 LYS 65 - HA LYS 40 lone 2 90 - 2 - HB3 LYS 65 - HA LYS 40 lone 2 87 - 2 - HB VAL 29 - HA LYS 40 lone 2 96 - 2 - HB2 LYS 65 - HA GLU 119 lone 2 82 - 2 - HB2 LYS 115 - HA LYS 40 lone 2 70 - 2 - HB3 LYS 65 - HA GLU 119 lone 2 80 - 2 - HB3 GLU 41 - HA GLU 119 lone 1 94 - 2 - HB2 GLU 41 - HA GLU 119 lone 1 93 - 2 - HB VAL 104 - HA LYS 40 lone 1 100 - 1 - HB3 GLU 128 - HA LYS 40 lone 1 94 - 1 - HB2 LYS 123 - HA GLU 119 lone 1 82 - 1 - HB2 LEU 127 - HA LYS 40 lone 1 87 - 1 - HB2 LEU 70 - HA LYS 40 lone 0 100 - 0 - HB3 GLU 128 - HA GLU 119 lone 0 87 - 0 - HB3 LYS 39 - HA GLU 119 lone 0 95 - 0 - HB2 LEU 127 - HA GLU 119 lone 0 80 - 0 - HB2 LYS 39 - HA GLU 119 lone 0 82 - 0 - HB VAL 29 - HA GLU 119 lone 0 89 - 0 - HB3 GLU 52 - HA LYS 40 lone 0 97 - 0 - HB2 LEU 70 - HA GLU 119 lone 0 95 - 0 - HB3 GLU 52 - HA GLU 119 lone 0 91 - 0 - HB VAL 104 - HA GLU 119 lone 0 96 - 0 - Peak 3652 from cnoeabs.peaks (1.38, 4.02, 59.59 ppm; 3.36 A): 2 out of 14 assignments used, quality = 0.95: * HG2 LYS 40 + HA LYS 40 OK 93 100 - 93 - 4.0=61, 2.7/3650=25...(29) HG3 LYS 43 + HA LYS 40 OK 34 94 - 36 - 4.9/8063=10, 3679=8...(7) HG3 LYS 16 - HA LYS 40 OK 26 70 - 37 - 1.8/11424=8, 11425=5...(11) HG3 LYS 43 - HA GLU 119 lone 5 87 - 5 - 4.9/8063=2, 3679=1 HG2 LYS 40 - HA GLU 119 lone 5 96 - 5 - 3679=1, 1.8/3689=1 HG3 LYS 16 - HA GLU 119 lone 4 63 - 6 - 1.8/11424=1 HG2 LYS 94 - HA LYS 40 lone 3 92 - 3 - HB3 LEU 68 - HA LYS 40 lone 2 100 - 2 - HG2 LYS 94 - HA GLU 119 lone 1 85 - 1 - HB3 LEU 114 - HA GLU 119 lone 1 59 - 2 - ~751=1 HG LEU 14 - HA LYS 40 lone 1 100 - 1 - HB3 LEU 68 - HA GLU 119 lone 1 96 - 1 - HB3 LEU 114 - HA LYS 40 lone 1 65 - 1 - HG LEU 14 - HA GLU 119 lone 1 96 - 1 - Peak 3653 from cnoeabs.peaks (1.62, 4.02, 59.59 ppm; 3.37 A): 2 out of 20 assignments used, quality = 0.96: * HG3 LYS 40 + HA LYS 40 OK 94 100 - 94 - 4.0=61, 2.7/3650=25...(29) HG2 LYS 16 + HA LYS 40 OK 41 97 - 42 - 1.8/11425=8, 11424=8...(15) HB ILE 116 - HA GLU 119 OK 34 85 - 40 - ~2216=9, ~10545=9...(11) HG2 LYS 16 - HA GLU 119 lone 7 91 - 7 - 1.8/11425=1, 11424=1 HG3 LYS 40 - HA GLU 119 lone 5 96 - 5 - 3689=2 HG LEU 63 - HA GLU 119 lone 4 96 - 4 - 2.1/11048=1 HG LEU 63 - HA LYS 40 lone 3 100 - 3 - HG LEU 90 - HA GLU 119 lone 3 55 - 5 - 2.1/11573=2 HG LEU 90 - HA LYS 40 lone 2 61 - 3 - ~9392=1 HB3 LEU 64 - HA GLU 119 lone 2 87 - 2 - HB3 LEU 127 - HA LYS 40 lone 2 97 - 2 - HD3 LYS 77 - HA LYS 40 lone 1 100 - 1 - HD2 LYS 77 - HA LYS 40 lone 1 99 - 1 - HB3 LEU 64 - HA LYS 40 lone 1 94 - 1 - HB2 LEU 82 - HA LYS 40 lone 1 100 - 1 - HB2 LEU 82 - HA GLU 119 lone 1 96 - 1 - HB ILE 116 - HA LYS 40 lone 1 92 - 1 - HB3 LEU 127 - HA GLU 119 lone 1 91 - 1 - HD3 LYS 77 - HA GLU 119 lone 0 95 - 0 - HD2 LYS 77 - HA GLU 119 lone 0 94 - 0 - Peak 3654 from cnoeabs.peaks (1.68, 4.02, 59.59 ppm; 3.30 A): 4 out of 40 assignments used, quality = 0.99: HD3 LYS 40 + HA LYS 40 OK 84 100 - 84 - 5.3=24, 2.9/3689=18...(32) * HD2 LYS 40 + HA LYS 40 OK 84 100 - 84 - 5.3=24, 2.9/3689=18...(32) HD2 LYS 16 + HA LYS 40 OK 47 99 - 48 - 2.9/11425=6, 2.9/11424=6...(24) HD3 LYS 16 + HA LYS 40 OK 46 97 - 48 - 2.9/11425=6, 2.9/11424=6...(24) HD2 LYS 43 - HA LYS 40 OK 35 100 - 35 - 5.9/8063=7, 2.9/3652=5...(10) HD3 LYS 43 - HA LYS 40 OK 35 100 - 35 - 5.9/8063=7, 2.9/3652=5...(10) HD2 LYS 96 - HA LYS 40 OK 29 100 - 29 - 3.4/8066=4, 3.4/3650=3...(13) HD3 LYS 96 - HA LYS 40 OK 29 100 - 29 - 3.4/8066=4, 3.4/3650=3...(13) HG3 LYS 39 - HA LYS 40 OK 26 70 - 37 - ~7475=6, 7476/3.0=5...(12) HG3 ARG 95 - HA LYS 40 OK 21 98 - 22 - 7792/3.0=4, ~7791=3...(9) HD3 LYS 20 - HA LYS 40 OK 16 99 - 16 - 3665/3.0=1 HD2 LYS 20 - HA LYS 40 OK 16 98 - 16 - 3664/3.0=1 HD3 LYS 73 - HA LYS 40 OK 12 100 - 12 - HD2 LYS 73 - HA LYS 40 OK 12 100 - 12 - HD2 LYS 17 - HA LYS 40 lone 8 100 - 8 - 6.3/1989=2, 2862/3.0=2 HD2 LYS 44 - HA LYS 40 lone 5 61 - 9 - 3.7/8064=1, 3.7/8064=1 HD2 LYS 16 - HA GLU 119 lone 5 94 - 5 - 2.9/11425=1, 2.9/11424=1 HD3 LYS 16 - HA GLU 119 lone 5 91 - 5 - 2.9/11425=1, 2.9/11424=1 HD2 LYS 40 - HA GLU 119 lone 4 96 - 4 - HD3 LYS 40 - HA GLU 119 lone 4 96 - 4 - HD3 LYS 43 - HA GLU 119 lone 3 96 - 3 - 5.9/8063=1 HD2 LYS 43 - HA GLU 119 lone 3 95 - 3 - 5.9/8063=1 HG3 ARG 95 - HA GLU 119 lone 3 92 - 3 - HG3 LYS 123 - HA LYS 40 lone 3 70 - 4 - HD3 LYS 20 - HA GLU 119 lone 1 93 - 2 - HD2 LYS 20 - HA GLU 119 lone 1 92 - 2 - HB ILE 54 - HA LYS 40 lone 1 100 - 1 - HD2 LYS 17 - HA GLU 119 lone 1 96 - 1 - HD3 LYS 73 - HA GLU 119 lone 1 96 - 1 - HD2 LYS 73 - HA GLU 119 lone 1 95 - 1 - HB ILE 56 - HA GLU 119 lone 1 91 - 1 - HG3 LYS 123 - HA GLU 119 lone 1 63 - 1 - HD3 LYS 96 - HA GLU 119 lone 1 96 - 1 - HD2 LYS 96 - HA GLU 119 lone 1 96 - 1 - HG12 ILE 71 - HA LYS 40 lone 1 87 - 1 - HB ILE 56 - HA LYS 40 lone 1 97 - 1 - HD2 LYS 44 - HA GLU 119 lone 0 55 - 1 - HB ILE 54 - HA GLU 119 lone 0 96 - 0 - HG3 LYS 39 - HA GLU 119 lone 0 63 - 0 - HG12 ILE 71 - HA GLU 119 lone 0 80 - 0 - Peak 3655 from cnoeabs.peaks (1.68, 4.02, 59.59 ppm; 3.30 A): 4 out of 38 assignments used, quality = 0.99: * HD3 LYS 40 + HA LYS 40 OK 84 100 - 84 - 5.3=24, 2.9/3689=18...(32) HD2 LYS 40 + HA LYS 40 OK 84 100 - 84 - 5.3=24, 2.9/3689=18...(32) HD2 LYS 16 + HA LYS 40 OK 47 99 - 48 - 2.9/11425=6, 2.9/11424=6...(24) HD3 LYS 16 + HA LYS 40 OK 45 96 - 48 - 2.9/11425=6, 2.9/11424=6...(24) HD2 LYS 43 - HA LYS 40 OK 35 100 - 35 - 5.9/8063=7, 2.9/3652=5...(10) HD3 LYS 43 - HA LYS 40 OK 35 100 - 35 - 5.9/8063=7, 2.9/3652=5...(10) HD2 LYS 96 - HA LYS 40 OK 29 100 - 29 - 3.4/8066=4, 3.4/3650=3...(13) HD3 LYS 96 - HA LYS 40 OK 29 100 - 29 - 3.4/8066=4, 3.4/3650=3...(13) HG3 LYS 39 - HA LYS 40 OK 24 65 - 37 - ~7475=6, 7476/3.0=4...(12) HG3 ARG 95 - HA LYS 40 OK 21 99 - 22 - 7792/3.0=4, ~7791=3...(9) HD3 LYS 20 - HA LYS 40 OK 16 98 - 16 - 3665/3.0=1 HD2 LYS 20 - HA LYS 40 OK 16 97 - 16 - 3664/3.0=1 HD3 LYS 73 - HA LYS 40 OK 12 100 - 12 - HD2 LYS 73 - HA LYS 40 OK 12 99 - 12 - HD2 LYS 17 - HA LYS 40 lone 8 100 - 8 - 6.3/1989=2, 2862/3.0=2 HD2 LYS 16 - HA GLU 119 lone 5 93 - 5 - 2.9/11425=1, 2.9/11424=1 HD3 LYS 16 - HA GLU 119 lone 5 89 - 5 - 2.9/11425=1, 2.9/11424=1 HD3 LYS 40 - HA GLU 119 lone 4 96 - 4 - HD2 LYS 40 - HA GLU 119 lone 4 96 - 4 - HD2 LYS 43 - HA GLU 119 lone 3 96 - 3 - 5.9/8063=1 HD3 LYS 43 - HA GLU 119 lone 3 95 - 3 - 5.9/8063=1 HG3 ARG 95 - HA GLU 119 lone 3 93 - 3 - HG3 LYS 123 - HA LYS 40 lone 3 65 - 4 - HD3 LYS 20 - HA GLU 119 lone 1 92 - 2 - HD2 LYS 20 - HA GLU 119 lone 1 91 - 2 - HB ILE 54 - HA LYS 40 lone 1 100 - 1 - HD2 LYS 17 - HA GLU 119 lone 1 96 - 1 - HD3 LYS 73 - HA GLU 119 lone 1 95 - 1 - HD2 LYS 73 - HA GLU 119 lone 1 94 - 1 - HB ILE 56 - HA GLU 119 lone 1 89 - 1 - HG3 LYS 123 - HA GLU 119 lone 1 59 - 1 - HD2 LYS 96 - HA GLU 119 lone 1 96 - 1 - HD3 LYS 96 - HA GLU 119 lone 1 96 - 1 - HB ILE 56 - HA LYS 40 lone 0 96 - 1 - HG12 ILE 71 - HA LYS 40 lone 1 84 - 1 - HB ILE 54 - HA GLU 119 lone 0 96 - 0 - HG3 LYS 39 - HA GLU 119 lone 0 59 - 0 - HG12 ILE 71 - HA GLU 119 lone 0 77 - 0 - Peak 3657 from cnoeabs.peaks (2.97, 4.02, 59.59 ppm; 6.20 A): 7 out of 32 assignments used, quality = 1.00: * HE3 LYS 40 + HA LYS 40 OK 100 100 - 100 - 6.4=90, 3.9/3689=38...(34) HE2 LYS 40 + HA LYS 40 OK 100 100 - 100 - 6.4=90, 3.9/3689=38...(34) HE3 LYS 43 + HA LYS 40 OK 68 94 - 73 - 7.0/8063=23, 3.9/3652=9...(38) HE2 LYS 43 + HA LYS 40 OK 59 81 - 73 - 7.0/8063=23, 3.9/3652=9...(36) HD3 ARG 118 + HA GLU 119 OK 51 93 - 55 - ~11198=23, ~751=22, ~752=21 HE3 LYS 20 + HA LYS 40 OK 46 100 - 46 - 3667/3.0=4, 3697/4.0=4...(25) HE2 LYS 20 + HA LYS 40 OK 46 100 - 46 - 3667/3.0=4, 3697/4.0=4...(25) HE2 LYS 39 - HA LYS 40 OK 44 84 - 53 - ~7477=7, ~7478=7...(19) HE3 LYS 39 - HA LYS 40 OK 41 77 - 53 - ~7477=7, ~7478=7...(19) HE3 LYS 73 - HA LYS 40 OK 31 90 - 35 - 3666/3.0=3, 3696/4.0=3...(19) HE2 LYS 73 - HA LYS 40 OK 27 73 - 37 - 3666/3.0=3, 3696/4.0=2...(18) HE3 LYS 43 - HA GLU 119 lone 9 87 - 10 - 7.0/8063=4, 3.9/3652=1...(4) HE2 LYS 43 - HA GLU 119 lone 7 73 - 10 - 7.0/8063=4, 3.9/3652=1...(4) HE3 LYS 40 - HA GLU 119 lone 7 96 - 7 - 3.9/3689=2, 3.9/3679=1 HE2 LYS 40 - HA GLU 119 lone 7 96 - 7 - 3.9/3689=2, 3.9/3679=1 HB3 ASN 24 - HA LYS 40 lone 4 100 - 4 - HB2 ASN 24 - HA LYS 40 lone 4 100 - 4 - HE3 LYS 106 - HA LYS 40 lone 3 84 - 4 - HE2 LYS 106 - HA LYS 40 lone 3 81 - 4 - HE3 LYS 20 - HA GLU 119 lone 3 96 - 3 - HE2 LYS 20 - HA GLU 119 lone 3 96 - 3 - HB3 PHE 51 - HA LYS 40 lone 2 100 - 2 - HD3 ARG 118 - HA LYS 40 lone 2 99 - 2 - HE3 LYS 73 - HA GLU 119 lone 2 82 - 3 - HE3 LYS 106 - HA GLU 119 lone 2 77 - 3 - HE2 LYS 106 - HA GLU 119 lone 2 73 - 3 - HB3 ASN 24 - HA GLU 119 lone 2 96 - 2 - HB2 ASN 24 - HA GLU 119 lone 2 96 - 2 - HB3 PHE 51 - HA GLU 119 lone 2 96 - 2 - HE2 LYS 73 - HA GLU 119 lone 2 66 - 3 - HE2 LYS 39 - HA GLU 119 lone 2 77 - 2 - HE3 LYS 39 - HA GLU 119 lone 1 70 - 2 - Peak 3658 from cnoeabs.peaks (7.78, 1.99, 32.40 ppm; 3.32 A): 2 out of 2 assignments used, quality = 0.94: * H LYS 40 + HB2 LYS 40 OK 90 100 - 90 - 4.0=56, 3.0/3650=23...(18) H LYS 96 + HB2 LYS 40 OK 41 97 - 43 - 2.9/8044=13, 3668/1.8=9...(10) Peak 3659 from cnoeabs.peaks (4.02, 1.99, 32.40 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 40 + HB2 LYS 40 OK 100 100 - 100 - 3.0=100 Peak 3660 from cnoeabs.peaks (1.99, 1.99, 32.40 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 40 + HB2 LYS 40 OK 100 100 - 100 Peak 3661 from cnoeabs.peaks (1.95, 1.99, 32.40 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 40 + HB2 LYS 40 OK 100 100 - 100 - 1.8=100 Peak 3662 from cnoeabs.peaks (1.38, 1.99, 32.40 ppm; 3.45 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 40 + HB2 LYS 40 OK 100 100 - 100 - 2.7=100 Peak 3663 from cnoeabs.peaks (1.62, 1.99, 32.40 ppm; 3.33 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 40 + HB2 LYS 40 OK 100 100 - 100 - 2.7=100 Peak 3664 from cnoeabs.peaks (1.68, 1.99, 32.40 ppm; 3.12 A): 4 out of 20 assignments used, quality = 1.00: HD3 LYS 40 + HB2 LYS 40 OK 94 100 - 94 - 3.6=66, 1.8/3710=11...(53) * HD2 LYS 40 + HB2 LYS 40 OK 94 100 - 94 - 3.6=66, 1.8/3710=11...(52) HD2 LYS 16 + HB2 LYS 40 OK 53 99 - 54 - 3700=7, 1.8/3700=5...(31) HD3 LYS 16 + HB2 LYS 40 OK 52 97 - 54 - 3700=7, 1.8/3700=5...(31) HD2 LYS 43 - HB2 LYS 40 OK 27 100 - 27 - 3675/1.8=2, 3695/2.7=2...(7) HD3 LYS 43 - HB2 LYS 40 OK 27 100 - 27 - 3675/1.8=2, 3695/2.7=1...(7) HD2 LYS 96 - HB2 LYS 40 OK 22 100 - 22 - 5.3/8044=5, 5.7/3658=3...(5) HD3 LYS 96 - HB2 LYS 40 OK 22 100 - 22 - 5.3/8044=5, 5.7/3658=3...(5) HD3 LYS 20 - HB2 LYS 40 OK 19 99 - 19 - 3.0/3667=1, 3.0/3667=1...(4) HD2 LYS 20 - HB2 LYS 40 OK 19 98 - 19 - 3.0/3667=1, 3.0/3667=1...(4) HD3 LYS 73 - HB2 LYS 40 OK 15 100 - 15 - HD2 LYS 73 - HB2 LYS 40 OK 15 100 - 15 - HG3 ARG 95 - HB2 LYS 40 OK 10 98 - 10 - 7792/4.0=3, ~8203=1 HD2 LYS 17 - HB2 LYS 40 lone 8 100 - 8 - 2862=3, 2.9/2882=1, 6.3/1114=1 HG3 LYS 39 - HB2 LYS 40 poor 8 70 - 11 - 7476/4.0=3, 3654/3.0=1, ~3651=1 HD2 LYS 44 - HB2 LYS 40 lone 3 61 - 4 - 5.4/8044=2 HG3 LYS 123 - HB2 LYS 40 lone 2 70 - 3 - HB ILE 54 - HB2 LYS 40 lone 1 100 - 1 - HB ILE 56 - HB2 LYS 40 lone 0 97 - 0 - HG12 ILE 71 - HB2 LYS 40 lone 0 87 - 0 - Peak 3665 from cnoeabs.peaks (1.68, 1.99, 32.40 ppm; 3.12 A): 4 out of 19 assignments used, quality = 1.00: * HD3 LYS 40 + HB2 LYS 40 OK 94 100 - 94 - 3.6=66, 1.8/3710=11...(53) HD2 LYS 40 + HB2 LYS 40 OK 94 100 - 94 - 3.6=66, 1.8/3710=11...(52) HD2 LYS 16 + HB2 LYS 40 OK 53 99 - 54 - 3700=7, 1.8/3700=5...(31) HD3 LYS 16 + HB2 LYS 40 OK 51 96 - 54 - 3700=7, 1.8/3700=5...(31) HD2 LYS 43 - HB2 LYS 40 OK 27 100 - 27 - 3675/1.8=2, 3695/2.7=2...(7) HD3 LYS 43 - HB2 LYS 40 OK 27 100 - 27 - 3675/1.8=2, 3695/2.7=1...(7) HD2 LYS 96 - HB2 LYS 40 OK 22 100 - 22 - 5.3/8044=5, 5.7/3658=3...(5) HD3 LYS 96 - HB2 LYS 40 OK 22 100 - 22 - 5.3/8044=5, 5.7/3658=3...(5) HD3 LYS 20 - HB2 LYS 40 OK 19 98 - 19 - 3.0/3667=1, 3.0/3667=1...(4) HD2 LYS 20 - HB2 LYS 40 OK 18 97 - 19 - 3.0/3667=1, 3.0/3667=1...(4) HD3 LYS 73 - HB2 LYS 40 OK 15 100 - 15 - HD2 LYS 73 - HB2 LYS 40 OK 15 99 - 15 - HG3 ARG 95 - HB2 LYS 40 OK 10 99 - 10 - 7792/4.0=3, ~8203=1 HD2 LYS 17 - HB2 LYS 40 lone 8 100 - 8 - 2862=3, 2.9/2882=1, 6.3/1114=1 HG3 LYS 39 - HB2 LYS 40 poor 7 65 - 11 - 7476/4.0=3, 3654/3.0=1, ~3651=1 HG3 LYS 123 - HB2 LYS 40 lone 2 65 - 3 - HB ILE 54 - HB2 LYS 40 lone 1 100 - 1 - HB ILE 56 - HB2 LYS 40 lone 0 96 - 0 - HG12 ILE 71 - HB2 LYS 40 lone 0 84 - 0 - Peak 3666 from cnoeabs.peaks (2.97, 1.99, 32.40 ppm; 4.46 A): 3 out of 16 assignments used, quality = 1.00: * HE2 LYS 40 + HB2 LYS 40 OK 98 100 - 98 - 5.0=72, 3.0/3710=13...(53) HE3 LYS 40 + HB2 LYS 40 OK 98 100 - 98 - 5.0=72, 3.0/3710=13...(53) HE3 LYS 43 + HB2 LYS 40 OK 48 97 - 50 - 3730=4, 3696/2.7=4...(36) HE2 LYS 43 - HB2 LYS 40 OK 43 87 - 50 - 1.8/3720=3, 3696/2.7=3...(36) HE3 LYS 20 - HB2 LYS 40 OK 41 99 - 42 - 3730=4, 3697/2.7=3...(21) HE2 LYS 20 - HB2 LYS 40 OK 41 99 - 42 - 3730=4, 3697/2.7=3...(21) HE3 LYS 73 - HB2 LYS 40 OK 29 94 - 31 - 3696/2.7=2, 3730=2...(13) HE2 LYS 73 - HB2 LYS 40 OK 26 81 - 33 - 3696/2.7=2, 1.8/3720=2...(13) HE2 LYS 39 - HB2 LYS 40 OK 25 90 - 28 - 1257/4.0=3, 3696/2.7=2...(10) HE3 LYS 39 - HB2 LYS 40 OK 23 84 - 28 - 1257/4.0=3, 3696/2.7=2...(10) HB3 ASN 24 - HB2 LYS 40 lone 2 100 - 2 - HB2 ASN 24 - HB2 LYS 40 lone 2 100 - 2 - HE3 LYS 106 - HB2 LYS 40 lone 2 77 - 2 - HE2 LYS 106 - HB2 LYS 40 lone 2 73 - 2 - HB3 PHE 51 - HB2 LYS 40 lone 1 100 - 1 - HD3 ARG 118 - HB2 LYS 40 lone 1 100 - 1 - Peak 3667 from cnoeabs.peaks (2.97, 1.99, 32.40 ppm; 4.46 A): 3 out of 16 assignments used, quality = 1.00: * HE3 LYS 40 + HB2 LYS 40 OK 98 100 - 98 - 5.0=72, 3.0/3710=13...(53) HE2 LYS 40 + HB2 LYS 40 OK 98 100 - 98 - 5.0=72, 3.0/3710=13...(53) HE3 LYS 43 + HB2 LYS 40 OK 46 94 - 50 - 3730=4, 3696/2.7=4...(36) HE2 LYS 20 - HB2 LYS 40 OK 42 100 - 42 - 3730=4, 3697/2.7=3...(21) HE3 LYS 20 - HB2 LYS 40 OK 42 100 - 42 - 3730=4, 3697/2.7=3...(21) HE2 LYS 43 - HB2 LYS 40 OK 40 81 - 50 - 1.8/3720=3, 3696/2.7=3...(36) HE3 LYS 73 - HB2 LYS 40 OK 28 90 - 31 - 3696/2.7=2, 3730=2...(13) HE2 LYS 73 - HB2 LYS 40 OK 24 73 - 33 - 3696/2.7=2, 1.8/3720=2...(13) HE2 LYS 39 - HB2 LYS 40 OK 23 84 - 28 - 1257/4.0=3, 3696/2.7=2...(10) HE3 LYS 39 - HB2 LYS 40 OK 22 77 - 28 - 1257/4.0=3, 3696/2.7=2...(10) HB3 ASN 24 - HB2 LYS 40 lone 2 100 - 2 - HB2 ASN 24 - HB2 LYS 40 lone 2 100 - 2 - HE3 LYS 106 - HB2 LYS 40 lone 2 84 - 2 - HE2 LYS 106 - HB2 LYS 40 lone 2 81 - 2 - HB3 PHE 51 - HB2 LYS 40 lone 1 100 - 1 - HD3 ARG 118 - HB2 LYS 40 lone 1 99 - 1 - Peak 3668 from cnoeabs.peaks (7.78, 1.95, 32.40 ppm; 3.25 A): 2 out of 12 assignments used, quality = 0.93: * H LYS 40 + HB3 LYS 40 OK 89 100 - 89 - 4.0=52, 1251/1.8=32...(17) H LYS 96 + HB3 LYS 40 OK 38 97 - 39 - 3658/1.8=11, 2.9/8046=9...(8) H LYS 96 - HB2 LYS 123 lone 5 68 - 7 - 1640/2.9=1, 2.9/8046=1 H LYS 40 - HB2 LYS 123 lone 4 74 - 5 - H LYS 40 - HB VAL 29 lone 2 88 - 2 - H LYS 40 - HB2 LYS 65 lone 2 69 - 2 - H LYS 40 - HB3 LYS 115 lone 2 54 - 3 - H LYS 40 - HB3 LYS 65 lone 2 64 - 2 - H LYS 96 - HB2 LYS 65 lone 1 63 - 2 - H LYS 96 - HB3 LYS 65 lone 1 59 - 2 - H LYS 96 - HB3 LYS 115 lone 1 49 - 2 - H LYS 96 - HB VAL 29 lone 1 82 - 1 - Peak 3669 from cnoeabs.peaks (4.02, 1.95, 32.40 ppm; 3.02 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 40 + HB3 LYS 40 OK 100 100 - 100 - 3.0=100 HA LYS 123 + HB2 LYS 123 OK 73 73 - 100 - 2.9=100 Peak 3670 from cnoeabs.peaks (1.99, 1.95, 32.40 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 40 + HB3 LYS 40 OK 100 100 - 100 - 1.8=100 Peak 3671 from cnoeabs.peaks (1.95, 1.95, 32.40 ppm; diagonal): 5 out of 6 assignments used, quality = 1.00: * HB3 LYS 40 + HB3 LYS 40 OK 100 100 - 100 HB VAL 29 + HB VAL 29 OK 80 80 - 100 HB2 LYS 123 + HB2 LYS 123 OK 60 60 - 100 HB2 LYS 65 + HB2 LYS 65 OK 56 56 - 100 HB3 LYS 65 + HB3 LYS 65 OK 49 49 - 100 HB3 LYS 115 - HB3 LYS 115 OK 43 43 - 100 Peak 3672 from cnoeabs.peaks (1.38, 1.95, 32.40 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 40 + HB3 LYS 40 OK 100 100 - 100 - 2.7=100 Peak 3673 from cnoeabs.peaks (1.62, 1.95, 32.40 ppm; 3.12 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 40 + HB3 LYS 40 OK 100 100 - 100 - 2.7=100 Peak 3674 from cnoeabs.peaks (1.68, 1.95, 32.40 ppm; 2.92 A): 2 out of 120 assignments used, quality = 0.99: HD3 LYS 40 + HB3 LYS 40 OK 89 100 - 89 - 3.6=54, 3710/1.8=10...(47) * HD2 LYS 40 + HB3 LYS 40 OK 89 100 - 89 - 3.6=54, 3710/1.8=10...(47) HD2 LYS 16 - HB3 LYS 40 OK 45 99 - 45 - 3701=5, 3700/1.8=5...(19) HD3 LYS 16 - HB3 LYS 40 OK 44 97 - 46 - 3701=5, 3700/1.8=5...(22) HG3 LYS 123 - HB2 LYS 123 OK 43 44 - 99 - 2.9=98, 7114/3.8=8...(32) HD3 LYS 43 - HB3 LYS 40 OK 23 100 - 24 - 3665/1.8=2, 3695/2.7=1...(6) HD2 LYS 43 - HB3 LYS 40 OK 23 100 - 24 - 3665/1.8=2, 3695/2.7=1...(6) HD3 LYS 96 - HB3 LYS 40 OK 18 100 - 18 - 5.3/8046=3, 5.7/3668=2...(5) HD2 LYS 96 - HB3 LYS 40 OK 18 100 - 18 - 5.3/8046=3, 5.7/3668=2...(5) HD3 LYS 20 - HB3 LYS 40 OK 16 99 - 17 - 3665/1.8=1, 3694/2.7=1 HD2 LYS 20 - HB3 LYS 40 OK 16 98 - 17 - 3664/1.8=1, 3694/2.7=1 HD3 LYS 73 - HB3 LYS 40 OK 12 100 - 12 - HD2 LYS 73 - HB3 LYS 40 OK 12 100 - 12 - HG3 ARG 95 - HB3 LYS 40 lone 9 98 - 9 - 7792/4.0=3 HG3 LYS 39 - HB3 LYS 40 poor 7 70 - 10 - 7476/4.0=3 HG3 LYS 123 - HB2 LYS 65 poor 5 40 - 13 - 2.9/7129=2, 2.9/7119=2...(4) HD2 LYS 17 - HB3 LYS 40 lone 5 100 - 5 - 2862/1.8=2 HG3 LYS 123 - HB3 LYS 65 poor 4 37 - 12 - 2.9/7129=2, 2.9/7119=2...(4) HG12 ILE 71 - HB2 LYS 123 lone 4 57 - 8 - ~10612=2, 4.6/436=1, ~9778=1 HD2 LYS 44 - HB2 LYS 123 poor 4 38 - 10 - HG12 ILE 71 - HB2 LYS 65 lone 4 53 - 7 - 11370/3.0=1, ~9785=1, ~9784=1 HG12 ILE 71 - HB3 LYS 65 lone 3 49 - 7 - 11370/3.0=1, ~9785=1, ~9784=1 HD3 LYS 96 - HB2 LYS 123 lone 3 73 - 4 - HD2 LYS 96 - HB2 LYS 123 lone 3 73 - 4 - HD2 LYS 16 - HB2 LYS 123 lone 3 72 - 4 - HG3 LYS 123 - HB3 LYS 115 poor 3 31 - 10 - 2.9/7129=1, 2.9/7119=1 HD3 LYS 16 - HB2 LYS 123 lone 3 68 - 4 - HG3 LYS 39 - HB2 LYS 123 lone 3 44 - 6 - 7114/3.8=1 HD2 LYS 17 - HB2 LYS 123 lone 2 73 - 3 - HD2 LYS 16 - HB2 LYS 65 lone 2 67 - 4 - HD3 LYS 16 - HB2 LYS 65 lone 2 63 - 3 - HD2 LYS 16 - HB3 LYS 115 lone 2 52 - 4 - HD2 LYS 16 - HB3 LYS 65 lone 2 62 - 3 - HD3 LYS 16 - HB3 LYS 65 lone 2 59 - 3 - HD3 LYS 16 - HB3 LYS 115 lone 2 49 - 4 - HD2 LYS 17 - HB3 LYS 115 lone 2 54 - 4 - HG3 LYS 123 - HB3 LYS 40 lone 2 70 - 3 - HD2 LYS 44 - HB3 LYS 40 lone 2 61 - 3 - 5.4/8046=1 HG3 ARG 95 - HB2 LYS 123 lone 2 69 - 3 - HB ILE 54 - HB VAL 29 lone 2 88 - 2 - ~9489=1 HD2 LYS 40 - HB2 LYS 123 lone 1 74 - 2 - HD3 LYS 40 - HB2 LYS 123 lone 1 73 - 2 - HB ILE 54 - HB2 LYS 65 lone 1 69 - 2 - HD2 LYS 17 - HB2 LYS 65 lone 1 69 - 2 - HB ILE 54 - HB3 LYS 65 lone 1 64 - 2 - HD2 LYS 17 - HB3 LYS 65 lone 1 64 - 2 - HB ILE 54 - HB3 LYS 40 lone 1 100 - 1 - HG3 ARG 95 - HB2 LYS 65 lone 1 65 - 2 - 7792/4.7=1 HG3 ARG 95 - HB3 LYS 65 lone 1 60 - 2 - 7792/4.7=1 HD3 LYS 96 - HB2 LYS 65 lone 1 69 - 1 - HD2 LYS 96 - HB2 LYS 65 lone 1 69 - 1 - HD3 LYS 43 - HB2 LYS 123 lone 1 73 - 1 - HD3 LYS 96 - HB3 LYS 65 lone 1 64 - 1 - HD2 LYS 96 - HB3 LYS 65 lone 1 64 - 1 - HG3 LYS 39 - HB VAL 29 lone 1 55 - 1 - HG12 ILE 71 - HB3 LYS 115 lone 1 41 - 2 - HD2 LYS 40 - HB2 LYS 65 lone 1 69 - 1 - HD3 LYS 40 - HB2 LYS 65 lone 1 69 - 1 - HG3 LYS 123 - HB VAL 29 lone 1 55 - 1 - HD3 LYS 20 - HB2 LYS 123 lone 1 71 - 1 - HD3 LYS 96 - HB3 LYS 115 lone 1 54 - 1 - HD2 LYS 96 - HB3 LYS 115 lone 1 54 - 1 - HD2 LYS 20 - HB2 LYS 123 lone 1 69 - 1 - HD2 LYS 40 - HB3 LYS 65 lone 1 64 - 1 - HD2 LYS 43 - HB2 LYS 123 lone 1 73 - 1 - HD3 LYS 40 - HB3 LYS 65 lone 1 64 - 1 - HD2 LYS 73 - HB2 LYS 123 lone 1 73 - 1 - HD3 LYS 73 - HB2 LYS 123 lone 1 73 - 1 - HD2 LYS 40 - HB3 LYS 115 lone 1 54 - 1 - HD3 LYS 40 - HB3 LYS 115 lone 1 54 - 1 - HD3 LYS 20 - HB3 LYS 115 lone 1 51 - 1 - HD2 LYS 20 - HB3 LYS 115 lone 1 50 - 1 - HD2 LYS 40 - HB VAL 29 lone 0 88 - 1 - HD3 LYS 40 - HB VAL 29 lone 0 88 - 1 - HD3 LYS 73 - HB2 LYS 65 lone 1 68 - 1 - HD2 LYS 73 - HB2 LYS 65 lone 1 68 - 1 - HD3 LYS 43 - HB2 LYS 65 lone 0 68 - 1 - HB ILE 54 - HB2 LYS 123 lone 0 74 - 1 - HD3 LYS 73 - HB3 LYS 65 lone 0 64 - 1 - HD2 LYS 73 - HB3 LYS 65 lone 0 63 - 1 - HD3 LYS 43 - HB3 LYS 65 lone 0 64 - 1 - HG3 LYS 39 - HB2 LYS 65 lone 0 40 - 1 - HD3 LYS 20 - HB2 LYS 65 lone 0 66 - 1 - HD2 LYS 43 - HB2 LYS 65 lone 0 68 - 1 - HG12 ILE 71 - HB3 LYS 40 lone 0 87 - 0 - HD3 LYS 73 - HB3 LYS 115 lone 0 53 - 1 - HD2 LYS 20 - HB2 LYS 65 lone 0 65 - 1 - HD2 LYS 73 - HB3 LYS 115 lone 0 53 - 1 - HD3 LYS 20 - HB3 LYS 65 lone 0 61 - 1 - HG3 LYS 39 - HB3 LYS 65 lone 0 37 - 1 - HD2 LYS 43 - HB3 LYS 65 lone 0 63 - 1 - HD2 LYS 20 - HB3 LYS 65 lone 0 60 - 1 - HB ILE 56 - HB3 LYS 40 lone 0 97 - 0 - HD3 LYS 96 - HB VAL 29 lone 0 88 - 0 - HD2 LYS 96 - HB VAL 29 lone 0 88 - 0 - HB ILE 56 - HB2 LYS 65 lone 0 63 - 1 - HD3 LYS 43 - HB3 LYS 115 lone 0 53 - 1 - HD2 LYS 16 - HB VAL 29 lone 0 86 - 0 - HD2 LYS 17 - HB VAL 29 lone 0 88 - 0 - HD2 LYS 43 - HB3 LYS 115 lone 0 53 - 1 - HB ILE 56 - HB3 LYS 65 lone 0 59 - 1 - HD3 LYS 16 - HB VAL 29 lone 0 82 - 0 - HD3 LYS 43 - HB VAL 29 lone 0 87 - 0 - HB ILE 54 - HB3 LYS 115 lone 0 54 - 1 - HD2 LYS 43 - HB VAL 29 lone 0 87 - 0 - HD3 LYS 20 - HB VAL 29 lone 0 85 - 0 - HD2 LYS 44 - HB2 LYS 65 lone 0 35 - 1 - HG3 LYS 39 - HB3 LYS 115 lone 0 31 - 1 - HD2 LYS 20 - HB VAL 29 lone 0 83 - 0 - HB ILE 56 - HB2 LYS 123 lone 0 68 - 0 - HD3 LYS 73 - HB VAL 29 lone 0 87 - 0 - HD2 LYS 73 - HB VAL 29 lone 0 87 - 0 - HG3 ARG 95 - HB VAL 29 lone 0 83 - 0 - HD2 LYS 44 - HB3 LYS 65 lone 0 32 - 1 - HB ILE 56 - HB3 LYS 115 lone 0 49 - 0 - HG12 ILE 71 - HB VAL 29 lone 0 70 - 0 - HB ILE 56 - HB VAL 29 lone 0 82 - 0 - HG3 ARG 95 - HB3 LYS 115 lone 0 50 - 0 - HD2 LYS 44 - HB VAL 29 lone 0 48 - 0 - HD2 LYS 44 - HB3 LYS 115 lone 0 26 - 1 - Peak 3675 from cnoeabs.peaks (1.68, 1.95, 32.40 ppm; 2.92 A): 2 out of 114 assignments used, quality = 0.99: * HD3 LYS 40 + HB3 LYS 40 OK 89 100 - 89 - 3.6=54, 3710/1.8=10...(47) HD2 LYS 40 + HB3 LYS 40 OK 89 100 - 89 - 3.6=54, 3710/1.8=10...(47) HD2 LYS 16 - HB3 LYS 40 OK 44 99 - 45 - 3701=5, 3700/1.8=5...(19) HD3 LYS 16 - HB3 LYS 40 OK 43 96 - 46 - 3701=5, 3700/1.8=5...(22) HG3 LYS 123 - HB2 LYS 123 OK 41 41 - 99 - 2.9=98, 7114/3.8=8...(32) HD2 LYS 43 - HB3 LYS 40 OK 23 100 - 24 - 3665/1.8=2, 3695/2.7=1...(6) HD3 LYS 43 - HB3 LYS 40 OK 23 100 - 24 - 3665/1.8=2, 3695/2.7=1...(6) HD2 LYS 96 - HB3 LYS 40 OK 18 100 - 18 - 5.3/8046=3, 5.7/3668=2...(5) HD3 LYS 96 - HB3 LYS 40 OK 18 100 - 18 - 5.3/8046=3, 5.7/3668=2...(5) HD3 LYS 20 - HB3 LYS 40 OK 16 98 - 17 - 3665/1.8=1, 3694/2.7=1 HD2 LYS 20 - HB3 LYS 40 OK 16 97 - 17 - 3664/1.8=1, 3694/2.7=1 HD3 LYS 73 - HB3 LYS 40 OK 12 100 - 12 - HD2 LYS 73 - HB3 LYS 40 OK 12 99 - 12 - HG3 ARG 95 - HB3 LYS 40 lone 9 99 - 9 - 7792/4.0=3 HG3 LYS 39 - HB3 LYS 40 poor 7 65 - 10 - 7476/4.0=3 HG3 LYS 123 - HB2 LYS 65 poor 5 38 - 13 - 2.9/7129=2, 2.9/7119=2...(4) HD2 LYS 17 - HB3 LYS 40 lone 5 100 - 5 - 2862/1.8=2 HG12 ILE 71 - HB2 LYS 123 lone 4 55 - 7 - ~10612=2, 4.6/436=1, ~9778=1 HG3 LYS 123 - HB3 LYS 65 poor 4 35 - 12 - 2.9/7129=2, 2.9/7119=2...(4) HG12 ILE 71 - HB2 LYS 65 lone 3 51 - 7 - ~9785=1, 11370/3.0=1, ~9784=1 HD3 LYS 96 - HB2 LYS 123 lone 3 73 - 4 - HD2 LYS 96 - HB2 LYS 123 lone 3 74 - 4 - HD2 LYS 16 - HB2 LYS 123 lone 3 71 - 4 - HG12 ILE 71 - HB3 LYS 65 lone 3 47 - 7 - ~9785=1, 11370/3.0=1, ~9784=1 HG3 LYS 123 - HB3 LYS 115 poor 3 28 - 10 - 2.9/7129=1, 2.9/7119=1 HD3 LYS 16 - HB2 LYS 123 lone 3 66 - 4 - HD2 LYS 17 - HB2 LYS 123 lone 2 74 - 3 - HD2 LYS 16 - HB2 LYS 65 lone 2 66 - 3 - HG3 LYS 39 - HB2 LYS 123 lone 2 41 - 6 - HD3 LYS 16 - HB2 LYS 65 lone 2 62 - 3 - HD2 LYS 16 - HB3 LYS 65 lone 2 61 - 3 - HD2 LYS 16 - HB3 LYS 115 lone 2 51 - 4 - HD3 LYS 16 - HB3 LYS 65 lone 2 57 - 3 - HD3 LYS 16 - HB3 LYS 115 lone 2 48 - 4 - HD2 LYS 17 - HB3 LYS 115 lone 2 54 - 4 - HG3 ARG 95 - HB2 LYS 123 lone 2 71 - 3 - HG3 LYS 123 - HB3 LYS 40 lone 2 65 - 3 - HB ILE 54 - HB VAL 29 lone 2 88 - 2 - ~9489=1 HD2 LYS 40 - HB2 LYS 123 lone 1 73 - 2 - HD3 LYS 40 - HB2 LYS 123 lone 1 74 - 2 - HB ILE 54 - HB2 LYS 65 lone 1 69 - 2 - HD2 LYS 17 - HB2 LYS 65 lone 1 69 - 2 - HB ILE 54 - HB3 LYS 65 lone 1 64 - 2 - HD2 LYS 17 - HB3 LYS 65 lone 1 64 - 2 - HB ILE 54 - HB3 LYS 40 lone 1 100 - 1 - HG3 ARG 95 - HB2 LYS 65 lone 1 66 - 2 - 7792/4.7=1 HG3 ARG 95 - HB3 LYS 65 lone 1 61 - 2 - 7792/4.7=1 HD2 LYS 96 - HB2 LYS 65 lone 1 69 - 1 - HD3 LYS 96 - HB2 LYS 65 lone 1 68 - 1 - HD2 LYS 96 - HB3 LYS 65 lone 1 64 - 1 - HD3 LYS 96 - HB3 LYS 65 lone 1 64 - 1 - HD3 LYS 43 - HB2 LYS 123 lone 1 73 - 1 - HD3 LYS 40 - HB2 LYS 65 lone 1 69 - 1 - HD2 LYS 40 - HB2 LYS 65 lone 1 69 - 1 - HD2 LYS 96 - HB3 LYS 115 lone 1 54 - 1 - HD3 LYS 96 - HB3 LYS 115 lone 1 53 - 1 - HG12 ILE 71 - HB3 LYS 115 lone 1 39 - 2 - HG3 LYS 39 - HB VAL 29 lone 1 51 - 1 - HD3 LYS 20 - HB2 LYS 123 lone 1 69 - 1 - HD2 LYS 20 - HB2 LYS 123 lone 1 68 - 1 - HD2 LYS 43 - HB2 LYS 123 lone 1 73 - 1 - HD3 LYS 40 - HB3 LYS 65 lone 1 64 - 1 - HD2 LYS 40 - HB3 LYS 65 lone 1 64 - 1 - HG3 LYS 123 - HB VAL 29 lone 1 51 - 1 - HD3 LYS 73 - HB2 LYS 123 lone 1 73 - 1 - HD2 LYS 73 - HB2 LYS 123 lone 1 72 - 1 - HD3 LYS 40 - HB3 LYS 115 lone 1 54 - 1 - HD2 LYS 40 - HB3 LYS 115 lone 1 54 - 1 - HD3 LYS 20 - HB3 LYS 115 lone 1 50 - 1 - HD2 LYS 20 - HB3 LYS 115 lone 1 49 - 1 - HD3 LYS 40 - HB VAL 29 lone 0 88 - 1 - HD2 LYS 40 - HB VAL 29 lone 0 88 - 1 - HD3 LYS 73 - HB2 LYS 65 lone 0 68 - 1 - HD2 LYS 73 - HB2 LYS 65 lone 0 67 - 1 - HD3 LYS 43 - HB2 LYS 65 lone 0 68 - 1 - HB ILE 54 - HB2 LYS 123 lone 0 73 - 1 - HD3 LYS 73 - HB3 LYS 65 lone 0 63 - 1 - HD2 LYS 43 - HB2 LYS 65 lone 0 68 - 1 - HD2 LYS 73 - HB3 LYS 65 lone 0 62 - 1 - HD3 LYS 43 - HB3 LYS 65 lone 0 63 - 1 - HD3 LYS 73 - HB3 LYS 115 lone 0 53 - 1 - HD3 LYS 20 - HB2 LYS 65 lone 0 65 - 1 - HD2 LYS 73 - HB3 LYS 115 lone 0 52 - 1 - HG12 ILE 71 - HB3 LYS 40 lone 0 84 - 0 - HD2 LYS 20 - HB2 LYS 65 lone 0 63 - 1 - HD2 LYS 43 - HB3 LYS 65 lone 0 64 - 1 - HG3 LYS 39 - HB2 LYS 65 lone 0 38 - 1 - HD3 LYS 20 - HB3 LYS 65 lone 0 60 - 1 - HD2 LYS 20 - HB3 LYS 65 lone 0 59 - 1 - HB ILE 56 - HB3 LYS 40 lone 0 96 - 0 - HG3 LYS 39 - HB3 LYS 65 lone 0 35 - 1 - HD2 LYS 96 - HB VAL 29 lone 0 88 - 0 - HD3 LYS 96 - HB VAL 29 lone 0 87 - 0 - HD3 LYS 43 - HB3 LYS 115 lone 0 53 - 1 - HB ILE 56 - HB2 LYS 65 lone 0 62 - 1 - HD2 LYS 16 - HB VAL 29 lone 0 85 - 0 - HD2 LYS 43 - HB3 LYS 115 lone 0 53 - 1 - HD2 LYS 17 - HB VAL 29 lone 0 88 - 0 - HB ILE 56 - HB3 LYS 65 lone 0 57 - 1 - HD3 LYS 16 - HB VAL 29 lone 0 80 - 0 - HD2 LYS 43 - HB VAL 29 lone 0 87 - 0 - HD3 LYS 43 - HB VAL 29 lone 0 87 - 0 - HB ILE 54 - HB3 LYS 115 lone 0 54 - 1 - HD3 LYS 20 - HB VAL 29 lone 0 83 - 0 - HD2 LYS 20 - HB VAL 29 lone 0 82 - 0 - HG3 ARG 95 - HB VAL 29 lone 0 85 - 0 - HD3 LYS 73 - HB VAL 29 lone 0 87 - 0 - HD2 LYS 73 - HB VAL 29 lone 0 86 - 0 - HB ILE 56 - HB2 LYS 123 lone 0 66 - 0 - HG3 LYS 39 - HB3 LYS 115 lone 0 28 - 1 - HB ILE 56 - HB3 LYS 115 lone 0 48 - 0 - HG3 ARG 95 - HB3 LYS 115 lone 0 51 - 0 - HG12 ILE 71 - HB VAL 29 lone 0 67 - 0 - HB ILE 56 - HB VAL 29 lone 0 80 - 0 - Peak 3676 from cnoeabs.peaks (2.97, 1.95, 32.40 ppm; 4.50 A): 3 out of 96 assignments used, quality = 1.00: * HE2 LYS 40 + HB3 LYS 40 OK 98 100 - 98 - 5.0=74, 3733/2.7=11...(48) HE3 LYS 40 + HB3 LYS 40 OK 98 100 - 98 - 5.0=74, 3733/2.7=11...(48) HE3 LYS 43 + HB3 LYS 40 OK 48 97 - 49 - 3666/1.8=4, 3696/2.7=4...(33) HE2 LYS 43 - HB3 LYS 40 OK 44 87 - 51 - 3666/1.8=4, 3696/2.7=3...(33) HE3 LYS 20 - HB3 LYS 40 OK 43 99 - 43 - 3667/1.8=3, 3697/2.7=3...(23) HE2 LYS 20 - HB3 LYS 40 OK 43 99 - 43 - 3667/1.8=3, 3697/2.7=3...(23) HE3 LYS 73 - HB3 LYS 40 OK 28 94 - 29 - 3666/1.8=2, 3696/2.7=2...(11) HE2 LYS 73 - HB3 LYS 40 OK 26 81 - 32 - 3666/1.8=2, 3696/2.7=2...(13) HE2 LYS 39 - HB3 LYS 40 OK 24 90 - 27 - 1257/4.0=3, 3666/1.8=2...(11) HD3 ARG 118 - HB2 LYS 65 OK 23 68 - 35 - 10540/3.0=12, ~10539=9...(5) HD3 ARG 118 - HB3 LYS 115 OK 23 53 - 44 - 10540/3.0=17, ~11598=16...(4) HE3 LYS 39 - HB3 LYS 40 OK 23 84 - 27 - 1257/4.0=3, 3666/1.8=2...(11) HD3 ARG 118 - HB3 LYS 65 OK 22 63 - 35 - 10540/3.0=12, ~10539=9...(5) HE2 LYS 39 - HB2 LYS 123 lone 5 60 - 8 - HE3 LYS 39 - HB2 LYS 123 lone 4 55 - 8 - HE2 LYS 40 - HB2 LYS 123 lone 2 74 - 3 - HB3 ASN 24 - HB3 LYS 40 lone 2 100 - 2 - HB2 ASN 24 - HB3 LYS 40 lone 2 100 - 2 - HE3 LYS 40 - HB2 LYS 123 lone 2 73 - 3 - HB3 ASN 24 - HB3 LYS 115 lone 2 54 - 4 - 10883/4.4=1 HB2 ASN 24 - HB3 LYS 115 lone 2 54 - 4 - 10883/4.4=1 HE3 LYS 106 - HB3 LYS 40 lone 2 77 - 2 - HE2 LYS 106 - HB3 LYS 40 lone 2 73 - 2 - HE2 LYS 20 - HB3 LYS 115 lone 2 52 - 3 - HE3 LYS 20 - HB3 LYS 115 lone 2 52 - 3 - HE2 LYS 40 - HB3 LYS 115 lone 2 54 - 3 - HE3 LYS 40 - HB3 LYS 115 lone 2 53 - 3 - HE2 LYS 40 - HB2 LYS 65 lone 1 69 - 2 - HE3 LYS 40 - HB2 LYS 65 lone 1 68 - 2 - HE3 LYS 43 - HB2 LYS 123 lone 1 68 - 2 - HE2 LYS 40 - HB3 LYS 65 lone 1 64 - 2 - HE2 LYS 39 - HB2 LYS 65 lone 1 56 - 2 - HE2 LYS 20 - HB2 LYS 123 lone 1 72 - 2 - HE3 LYS 20 - HB2 LYS 123 lone 1 72 - 2 - HE3 LYS 40 - HB3 LYS 65 lone 1 64 - 2 - HE2 LYS 39 - HB3 LYS 65 lone 1 52 - 2 - HE3 LYS 39 - HB2 LYS 65 lone 1 51 - 2 - HE2 LYS 43 - HB2 LYS 123 lone 1 57 - 2 - HD3 ARG 118 - HB3 LYS 40 lone 1 100 - 1 - HE3 LYS 20 - HB2 LYS 65 lone 1 67 - 2 - HE2 LYS 20 - HB2 LYS 65 lone 1 67 - 2 - HE2 LYS 40 - HB VAL 29 lone 1 88 - 1 - HB3 PHE 51 - HB3 LYS 40 lone 1 100 - 1 - HE3 LYS 40 - HB VAL 29 lone 1 87 - 1 - HE3 LYS 39 - HB3 LYS 65 lone 1 47 - 2 - HE2 LYS 39 - HB3 LYS 115 lone 1 43 - 3 - HE2 LYS 20 - HB3 LYS 65 lone 1 62 - 2 - HE3 LYS 20 - HB3 LYS 65 lone 1 62 - 2 - HE3 LYS 106 - HB3 LYS 115 lone 1 35 - 3 - HE3 LYS 43 - HB2 LYS 65 lone 1 63 - 2 - HE3 LYS 39 - HB3 LYS 115 lone 1 39 - 3 - HE3 LYS 43 - HB3 LYS 115 lone 1 49 - 2 - HE3 LYS 73 - HB2 LYS 123 lone 1 64 - 2 - HE2 LYS 106 - HB3 LYS 115 lone 1 33 - 3 - HE3 LYS 43 - HB3 LYS 65 lone 1 59 - 2 - HE3 LYS 73 - HB2 LYS 65 lone 1 60 - 2 - HE2 LYS 39 - HB VAL 29 lone 1 73 - 1 - HE3 LYS 73 - HB3 LYS 65 lone 1 56 - 2 - HE3 LYS 106 - HB VAL 29 lone 1 61 - 1 - HB3 PHE 51 - HB2 LYS 65 lone 1 69 - 1 - HE2 LYS 43 - HB2 LYS 65 lone 1 53 - 2 - HE3 LYS 43 - HB VAL 29 lone 1 82 - 1 - HE2 LYS 20 - HB VAL 29 lone 1 86 - 1 - HE3 LYS 20 - HB VAL 29 lone 1 86 - 1 - HE2 LYS 43 - HB3 LYS 115 lone 1 41 - 2 - HE3 LYS 39 - HB VAL 29 lone 1 67 - 1 - HE3 LYS 73 - HB3 LYS 115 lone 1 46 - 2 - HE2 LYS 73 - HB2 LYS 123 lone 1 52 - 2 - HD3 ARG 118 - HB2 LYS 123 lone 1 73 - 1 - HE2 LYS 106 - HB VAL 29 lone 1 58 - 1 - HB3 PHE 51 - HB3 LYS 65 lone 1 64 - 1 - HE2 LYS 43 - HB3 LYS 65 lone 1 49 - 2 - HE2 LYS 73 - HB2 LYS 65 lone 1 48 - 2 - HB3 PHE 51 - HB VAL 29 lone 1 88 - 1 - HE2 LYS 43 - HB VAL 29 lone 1 70 - 1 - HE3 LYS 106 - HB2 LYS 65 lone 1 46 - 2 - HB3 ASN 24 - HB2 LYS 65 lone 1 69 - 1 - HB2 ASN 24 - HB2 LYS 65 lone 1 69 - 1 - HE2 LYS 73 - HB3 LYS 65 lone 1 45 - 2 - HB3 ASN 24 - HB VAL 29 lone 1 88 - 1 - HB2 ASN 24 - HB VAL 29 lone 1 88 - 1 - HD3 ARG 118 - HB VAL 29 lone 1 87 - 1 - HE2 LYS 106 - HB2 LYS 65 lone 1 43 - 2 - HB3 ASN 24 - HB3 LYS 65 lone 1 64 - 1 - HB2 ASN 24 - HB3 LYS 65 lone 1 64 - 1 - HE3 LYS 106 - HB3 LYS 65 lone 1 42 - 2 - HE3 LYS 106 - HB2 LYS 123 lone 1 49 - 1 - HE3 LYS 73 - HB VAL 29 lone 1 78 - 1 - HE2 LYS 73 - HB3 LYS 115 lone 1 37 - 2 - HB3 PHE 51 - HB3 LYS 115 lone 1 54 - 1 - HB3 PHE 51 - HB2 LYS 123 lone 1 73 - 1 - HE2 LYS 106 - HB3 LYS 65 lone 1 40 - 2 - HE2 LYS 106 - HB2 LYS 123 lone 1 47 - 1 - HB2 ASN 24 - HB2 LYS 123 lone 1 73 - 1 - HB3 ASN 24 - HB2 LYS 123 lone 1 73 - 1 - HE2 LYS 73 - HB VAL 29 lone 1 64 - 1 - Peak 3677 from cnoeabs.peaks (2.97, 1.95, 32.40 ppm; 4.50 A): 3 out of 96 assignments used, quality = 1.00: * HE3 LYS 40 + HB3 LYS 40 OK 98 100 - 98 - 5.0=74, 3733/2.7=11...(48) HE2 LYS 40 + HB3 LYS 40 OK 98 100 - 98 - 5.0=74, 3733/2.7=11...(48) HE3 LYS 43 + HB3 LYS 40 OK 46 94 - 49 - 3666/1.8=4, 3696/2.7=4...(33) HE3 LYS 20 - HB3 LYS 40 OK 43 100 - 43 - 3667/1.8=3, 3697/2.7=3...(23) HE2 LYS 20 - HB3 LYS 40 OK 43 100 - 43 - 3667/1.8=3, 3697/2.7=3...(23) HE2 LYS 43 - HB3 LYS 40 OK 41 81 - 51 - 3666/1.8=4, 3696/2.7=3...(33) HE3 LYS 73 - HB3 LYS 40 OK 26 90 - 29 - 3666/1.8=2, 3696/2.7=2...(11) HE2 LYS 73 - HB3 LYS 40 OK 24 73 - 32 - 3666/1.8=2, 3696/2.7=2...(13) HD3 ARG 118 - HB2 LYS 65 OK 23 66 - 35 - 10540/3.0=12, ~10539=9...(5) HD3 ARG 118 - HB3 LYS 115 OK 23 51 - 44 - 10540/3.0=17, ~11598=16...(4) HE2 LYS 39 - HB3 LYS 40 OK 22 84 - 27 - 1257/4.0=3, 3666/1.8=2...(11) HD3 ARG 118 - HB3 LYS 65 OK 21 61 - 35 - 10540/3.0=12, ~10539=9...(5) HE3 LYS 39 - HB3 LYS 40 OK 21 77 - 27 - 1257/4.0=3, 3666/1.8=2...(11) HE2 LYS 39 - HB2 LYS 123 lone 4 55 - 8 - HE3 LYS 39 - HB2 LYS 123 lone 4 49 - 8 - HE2 LYS 40 - HB2 LYS 123 lone 2 73 - 3 - HB3 ASN 24 - HB3 LYS 40 lone 2 100 - 2 - HB2 ASN 24 - HB3 LYS 40 lone 2 100 - 2 - HE3 LYS 40 - HB2 LYS 123 lone 2 74 - 3 - HE3 LYS 106 - HB3 LYS 40 lone 2 84 - 2 - HB3 ASN 24 - HB3 LYS 115 lone 2 54 - 4 - 10883/4.4=1 HB2 ASN 24 - HB3 LYS 115 lone 2 54 - 4 - 10883/4.4=1 HE2 LYS 106 - HB3 LYS 40 lone 2 81 - 2 - HE3 LYS 20 - HB3 LYS 115 lone 2 53 - 3 - HE2 LYS 20 - HB3 LYS 115 lone 2 53 - 3 - HE2 LYS 40 - HB3 LYS 115 lone 2 53 - 3 - HE3 LYS 40 - HB3 LYS 115 lone 2 54 - 3 - HE2 LYS 40 - HB2 LYS 65 lone 1 68 - 2 - HE3 LYS 40 - HB2 LYS 65 lone 1 69 - 2 - HE3 LYS 20 - HB2 LYS 123 lone 1 73 - 2 - HE2 LYS 20 - HB2 LYS 123 lone 1 73 - 2 - HE2 LYS 40 - HB3 LYS 65 lone 1 64 - 2 - HE3 LYS 43 - HB2 LYS 123 lone 1 64 - 2 - HE3 LYS 40 - HB3 LYS 65 lone 1 64 - 2 - HE2 LYS 39 - HB2 LYS 65 lone 1 51 - 2 - HE2 LYS 20 - HB2 LYS 65 lone 1 68 - 2 - HE3 LYS 20 - HB2 LYS 65 lone 1 68 - 2 - HE3 LYS 106 - HB3 LYS 115 lone 1 39 - 3 - HD3 ARG 118 - HB3 LYS 40 lone 1 99 - 1 - HE3 LYS 40 - HB VAL 29 lone 1 88 - 1 - HB3 PHE 51 - HB3 LYS 40 lone 1 100 - 1 - HE2 LYS 40 - HB VAL 29 lone 1 87 - 1 - HE2 LYS 106 - HB3 LYS 115 lone 1 37 - 3 - HE2 LYS 39 - HB3 LYS 65 lone 1 47 - 2 - HE3 LYS 20 - HB3 LYS 65 lone 1 64 - 2 - HE2 LYS 20 - HB3 LYS 65 lone 1 64 - 2 - HE3 LYS 39 - HB2 LYS 65 lone 1 46 - 2 - HE2 LYS 43 - HB2 LYS 123 lone 1 52 - 2 - HE2 LYS 39 - HB3 LYS 115 lone 1 39 - 3 - HE3 LYS 39 - HB3 LYS 65 lone 1 42 - 2 - HE3 LYS 43 - HB2 LYS 65 lone 1 60 - 2 - HE3 LYS 106 - HB VAL 29 lone 1 67 - 1 - HE3 LYS 43 - HB3 LYS 115 lone 1 46 - 2 - HE3 LYS 73 - HB2 LYS 123 lone 1 60 - 2 - HE2 LYS 106 - HB VAL 29 lone 1 64 - 1 - HE3 LYS 39 - HB3 LYS 115 lone 1 35 - 3 - HE3 LYS 43 - HB3 LYS 65 lone 1 56 - 2 - HE3 LYS 73 - HB2 LYS 65 lone 1 56 - 2 - HE2 LYS 20 - HB VAL 29 lone 1 87 - 1 - HE3 LYS 20 - HB VAL 29 lone 1 87 - 1 - HB3 PHE 51 - HB2 LYS 65 lone 1 69 - 1 - HE2 LYS 39 - HB VAL 29 lone 1 67 - 1 - HE3 LYS 73 - HB3 LYS 65 lone 1 52 - 2 - HE3 LYS 43 - HB VAL 29 lone 1 78 - 1 - HB3 PHE 51 - HB3 LYS 65 lone 1 64 - 1 - HD3 ARG 118 - HB2 LYS 123 lone 1 71 - 1 - HE3 LYS 106 - HB2 LYS 65 lone 1 51 - 2 - HE3 LYS 73 - HB3 LYS 115 lone 1 43 - 2 - HE2 LYS 43 - HB2 LYS 65 lone 1 48 - 2 - HE3 LYS 39 - HB VAL 29 lone 1 61 - 1 - HB3 PHE 51 - HB VAL 29 lone 1 88 - 1 - HE2 LYS 43 - HB3 LYS 115 lone 1 37 - 2 - HE2 LYS 106 - HB2 LYS 65 lone 1 48 - 2 - HE3 LYS 106 - HB3 LYS 65 lone 1 47 - 2 - HE3 LYS 106 - HB2 LYS 123 lone 1 55 - 1 - HE2 LYS 73 - HB2 LYS 123 lone 1 47 - 2 - HE2 LYS 43 - HB3 LYS 65 lone 1 45 - 2 - HB2 ASN 24 - HB2 LYS 65 lone 1 69 - 1 - HB3 ASN 24 - HB2 LYS 65 lone 1 69 - 1 - HE2 LYS 106 - HB2 LYS 123 lone 1 52 - 1 - HE2 LYS 106 - HB3 LYS 65 lone 1 45 - 2 - HB2 ASN 24 - HB VAL 29 lone 1 88 - 1 - HB3 ASN 24 - HB VAL 29 lone 1 88 - 1 - HE2 LYS 73 - HB2 LYS 65 lone 1 43 - 2 - HB2 ASN 24 - HB3 LYS 65 lone 1 64 - 1 - HB3 ASN 24 - HB3 LYS 65 lone 1 64 - 1 - HE2 LYS 43 - HB VAL 29 lone 1 64 - 1 - HD3 ARG 118 - HB VAL 29 lone 1 85 - 1 - HB3 PHE 51 - HB3 LYS 115 lone 1 54 - 1 - HB3 PHE 51 - HB2 LYS 123 lone 1 73 - 1 - HE2 LYS 73 - HB3 LYS 65 lone 1 40 - 2 - HB3 ASN 24 - HB2 LYS 123 lone 1 73 - 1 - HB2 ASN 24 - HB2 LYS 123 lone 1 73 - 1 - HE3 LYS 73 - HB VAL 29 lone 1 73 - 1 - HE2 LYS 73 - HB3 LYS 115 lone 1 33 - 2 - HE2 LYS 73 - HB VAL 29 lone 0 58 - 1 - Peak 3678 from cnoeabs.peaks (7.78, 1.38, 24.98 ppm; 4.16 A): 2 out of 6 assignments used, quality = 0.99: * H LYS 40 + HG2 LYS 40 OK 97 100 - 97 - 4.8=67, 1251/2.7=34...(20) H LYS 96 + HG2 LYS 40 OK 51 97 - 53 - 3688/1.8=13, 3658/2.7=12...(12) H LYS 40 - HG3 LYS 43 OK 28 84 - 34 - 1253=9, 3.0/3652=7...(14) H LYS 96 - HG2 LYS 94 OK 12 44 - 27 - 4.6/597=10, 2156/4.9=8...(6) H LYS 96 - HG3 LYS 43 poor 9 78 - 12 - 4.6/597=3, 608/2.9=1...(4) H LYS 40 - HG2 LYS 94 lone 3 48 - 7 - 2156/4.9=3, 1253=2, 1938/597=1 Peak 3679 from cnoeabs.peaks (4.02, 1.38, 24.98 ppm; 3.47 A): 1 out of 36 assignments used, quality = 0.95: * HA LYS 40 + HG2 LYS 40 OK 95 100 - 95 - 4.0=67, 3689/1.8=26...(29) HA LYS 40 - HG3 LYS 43 OK 32 84 - 39 - 8063/4.9=11, 3652=9...(7) HA GLU 119 - HG2 LYS 40 lone 5 99 - 5 - 3652=1, 3689/1.8=1 HA GLU 119 - HG3 LYS 43 lone 5 81 - 6 - 8063/4.9=2, 3652=1 HA PHE 120 - HG2 LYS 94 lone 4 48 - 8 - 10557/3.0=2, 10557/3.0=2...(4) HA LYS 123 - HG3 LYS 43 lone 4 83 - 4 - HA PHE 120 - HG3 LYS 43 lone 3 84 - 3 - 10557/1.8=1 HA GLU 13 - HG2 LYS 40 lone 3 99 - 3 - HA LYS 123 - HG2 LYS 40 lone 3 100 - 3 - HB2 SER 126 - HG2 LYS 40 lone 2 100 - 2 - HB3 SER 126 - HG2 LYS 40 lone 2 96 - 2 - HA GLU 66 - HG2 LYS 40 lone 2 99 - 2 - HA GLU 66 - HG3 LYS 43 lone 2 82 - 2 - HA PHE 120 - HG2 LYS 40 lone 2 100 - 2 - HA LYS 40 - HG2 LYS 94 lone 2 48 - 4 - HA GLU 92 - HG2 LYS 94 lone 2 40 - 4 - 8199/597=1 HA GLU 92 - HG2 LYS 40 lone 1 92 - 1 - HA GLU 13 - HG3 LYS 43 lone 1 82 - 1 - HA GLU 66 - HG2 LYS 94 lone 1 47 - 2 - HA GLU 92 - HG3 LYS 43 lone 1 72 - 1 - HA3 GLY 75 - HG2 LYS 40 lone 1 92 - 1 - HB2 SER 126 - HG3 LYS 43 lone 1 84 - 1 - HB3 SER 126 - HG3 LYS 43 lone 1 76 - 1 - HA GLU 119 - HG2 LYS 94 lone 1 46 - 2 - HA GLU 87 - HG2 LYS 94 lone 1 35 - 2 - HA LYS 123 - HG2 LYS 94 lone 1 47 - 2 - HA3 GLY 75 - HG3 LYS 43 lone 1 72 - 1 - HA GLU 13 - HG2 LYS 94 lone 1 47 - 1 - HA GLU 87 - HG2 LYS 40 lone 1 84 - 1 - HA3 GLY 101 - HG2 LYS 40 lone 0 84 - 1 - HA GLU 87 - HG3 LYS 43 lone 0 64 - 1 - HA3 GLY 101 - HG3 LYS 43 lone 0 64 - 0 - HB2 SER 126 - HG2 LYS 94 lone 0 48 - 0 - HB3 SER 126 - HG2 LYS 94 lone 0 42 - 0 - HA3 GLY 75 - HG2 LYS 94 lone 0 40 - 0 - HA3 GLY 101 - HG2 LYS 94 lone 0 35 - 0 - Peak 3680 from cnoeabs.peaks (1.99, 1.38, 24.98 ppm; 3.15 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 40 + HG2 LYS 40 OK 100 100 - 100 - 2.7=100 Peak 3681 from cnoeabs.peaks (1.95, 1.38, 24.98 ppm; 3.00 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 40 + HG2 LYS 40 OK 100 100 - 100 - 2.7=100 Peak 3682 from cnoeabs.peaks (1.38, 1.38, 24.98 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 40 + HG2 LYS 40 OK 100 100 - 100 HG3 LYS 43 + HG3 LYS 43 OK 74 74 - 100 HG2 LYS 94 - HG2 LYS 94 OK 40 40 - 100 Peak 3683 from cnoeabs.peaks (1.62, 1.38, 24.98 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 40 + HG2 LYS 40 OK 100 100 - 100 - 1.8=100 Peak 3684 from cnoeabs.peaks (1.68, 1.38, 24.98 ppm; 2.58 A): 4 out of 60 assignments used, quality = 1.00: HD3 LYS 40 + HG2 LYS 40 OK 88 100 - 88 - 2.9=69, 3695/1.8=9...(28) * HD2 LYS 40 + HG2 LYS 40 OK 88 100 - 88 - 2.9=69, 3695/1.8=9...(28) HD3 LYS 43 + HG3 LYS 43 OK 71 84 - 84 - 2.9=69, 3846/1.8=9...(21) HD2 LYS 43 + HG3 LYS 43 OK 70 83 - 85 - 2.9=69, 3846/1.8=9...(21) HD2 LYS 16 - HG2 LYS 40 OK 35 99 - 36 - 3702=4, 3694/1.8=3...(16) HD3 LYS 16 - HG2 LYS 40 OK 34 97 - 36 - 3702=4, 3694/1.8=3...(16) HD2 LYS 43 - HG2 LYS 40 OK 18 100 - 18 - 3695/1.8=2, 5.9/1277=1 HD3 LYS 43 - HG2 LYS 40 OK 18 100 - 18 - 3695/1.8=2, 5.9/1277=1 HD3 LYS 20 - HG3 LYS 43 OK 15 81 - 19 - 3847/1.8=2, 3816/3.9=1...(4) HD2 LYS 20 - HG3 LYS 43 OK 15 80 - 19 - 3847/1.8=2, 3816/3.9=1...(4) HD3 LYS 73 - HG3 LYS 43 OK 14 84 - 17 - 3846/1.8=2 HD2 LYS 73 - HG3 LYS 43 OK 14 83 - 17 - 3846/1.8=2 HD3 LYS 20 - HG2 LYS 40 OK 14 99 - 14 - 3694/1.8=1 HD2 LYS 20 - HG2 LYS 40 OK 13 98 - 14 - 3694/1.8=1 HD3 LYS 40 - HG3 LYS 43 OK 10 84 - 12 - 3712=1, 5.3/3652=1, 3846/1.8=1 HD2 LYS 40 - HG3 LYS 43 OK 10 84 - 12 - 3712=1, 5.3/3652=1, 3846/1.8=1 HD3 LYS 73 - HG2 LYS 40 lone 10 100 - 10 - HD2 LYS 73 - HG2 LYS 40 lone 10 100 - 10 - HD3 LYS 96 - HG2 LYS 40 lone 9 100 - 9 - 5.7/3678=1 HD2 LYS 96 - HG2 LYS 40 lone 9 100 - 9 - 5.7/3678=1 HD3 LYS 96 - HG3 LYS 43 lone 7 84 - 9 - HD2 LYS 96 - HG3 LYS 43 lone 7 84 - 9 - HG3 ARG 95 - HG2 LYS 40 lone 5 98 - 5 - 7792/4.8=2 HG3 LYS 39 - HG2 LYS 40 lone 4 70 - 5 - 7476/4.8=2 HD2 LYS 17 - HG2 LYS 40 lone 3 100 - 3 - 2862/2.7=1 HD2 LYS 44 - HG3 LYS 43 lone 3 45 - 7 - 6.4/256=2 HB ILE 56 - HG2 LYS 94 lone 3 44 - 7 - ~9551=2, 10948/3.0=2 HG3 ARG 95 - HG3 LYS 43 lone 2 80 - 3 - HG3 ARG 95 - HG2 LYS 94 lone 1 45 - 3 - 4.7/597=3 HD2 LYS 16 - HG3 LYS 43 lone 1 82 - 1 - HD2 LYS 44 - HG2 LYS 40 lone 1 61 - 2 - HD3 LYS 16 - HG3 LYS 43 lone 1 78 - 1 - HD3 LYS 43 - HG2 LYS 94 lone 1 48 - 2 - HD2 LYS 43 - HG2 LYS 94 lone 1 47 - 2 - HG3 LYS 39 - HG3 LYS 43 lone 1 52 - 2 - HD2 LYS 17 - HG3 LYS 43 lone 1 84 - 1 - HG3 LYS 123 - HG2 LYS 40 lone 1 70 - 1 - HB ILE 54 - HG2 LYS 40 lone 1 100 - 1 - HG3 LYS 123 - HG3 LYS 43 lone 1 52 - 1 - HD3 LYS 96 - HG2 LYS 94 lone 0 48 - 1 - HD2 LYS 96 - HG2 LYS 94 lone 0 48 - 1 - HB ILE 56 - HG3 LYS 43 lone 0 78 - 0 - HD2 LYS 40 - HG2 LYS 94 lone 0 48 - 1 - HD3 LYS 40 - HG2 LYS 94 lone 0 48 - 1 - HB ILE 56 - HG2 LYS 40 lone 0 97 - 0 - HG12 ILE 71 - HG2 LYS 40 lone 0 87 - 0 - HB ILE 54 - HG2 LYS 94 lone 0 48 - 1 - HB ILE 54 - HG3 LYS 43 lone 0 84 - 0 - HD3 LYS 20 - HG2 LYS 94 lone 0 46 - 0 - HD2 LYS 20 - HG2 LYS 94 lone 0 45 - 0 - HD2 LYS 16 - HG2 LYS 94 lone 0 47 - 0 - HD2 LYS 44 - HG2 LYS 94 lone 0 23 - 1 - HG12 ILE 71 - HG3 LYS 43 lone 0 67 - 0 - HD3 LYS 16 - HG2 LYS 94 lone 0 44 - 0 - HD3 LYS 73 - HG2 LYS 94 lone 0 48 - 0 - HD2 LYS 73 - HG2 LYS 94 lone 0 47 - 0 - HG3 LYS 123 - HG2 LYS 94 lone 0 27 - 1 - HD2 LYS 17 - HG2 LYS 94 lone 0 48 - 0 - HG3 LYS 39 - HG2 LYS 94 lone 0 27 - 0 - HG12 ILE 71 - HG2 LYS 94 lone 0 36 - 0 - Peak 3685 from cnoeabs.peaks (1.68, 1.38, 24.98 ppm; 2.58 A): 4 out of 57 assignments used, quality = 1.00: * HD3 LYS 40 + HG2 LYS 40 OK 88 100 - 88 - 2.9=69, 3695/1.8=9...(28) HD2 LYS 40 + HG2 LYS 40 OK 88 100 - 88 - 2.9=69, 3695/1.8=9...(28) HD2 LYS 43 + HG3 LYS 43 OK 71 84 - 85 - 2.9=69, 3846/1.8=9...(21) HD3 LYS 43 + HG3 LYS 43 OK 70 83 - 84 - 2.9=69, 3846/1.8=9...(21) HD2 LYS 16 - HG2 LYS 40 OK 35 99 - 36 - 3702=4, 3695/1.8=3...(16) HD3 LYS 16 - HG2 LYS 40 OK 34 96 - 36 - 3702=4, 3694/1.8=3...(16) HD2 LYS 43 - HG2 LYS 40 OK 18 100 - 18 - 3695/1.8=2, 5.9/1277=1 HD3 LYS 43 - HG2 LYS 40 OK 18 100 - 18 - 3695/1.8=2, 5.9/1277=1 HD3 LYS 20 - HG3 LYS 43 OK 15 80 - 19 - 3846/1.8=2, 3816/3.9=1...(4) HD2 LYS 20 - HG3 LYS 43 OK 15 78 - 19 - 3847/1.8=2, 3816/3.9=1...(4) HD3 LYS 73 - HG3 LYS 43 OK 14 83 - 17 - 3846/1.8=2 HD2 LYS 73 - HG3 LYS 43 OK 14 82 - 17 - 3846/1.8=2 HD3 LYS 20 - HG2 LYS 40 OK 13 98 - 14 - 3694/1.8=1 HD2 LYS 20 - HG2 LYS 40 OK 13 97 - 14 - 3694/1.8=1 HD3 LYS 40 - HG3 LYS 43 OK 10 84 - 12 - 3712=1, 5.3/3652=1, 3846/1.8=1 HD2 LYS 40 - HG3 LYS 43 OK 10 84 - 12 - 3712=1, 5.3/3652=1, 3846/1.8=1 HD3 LYS 73 - HG2 LYS 40 lone 10 100 - 10 - HD2 LYS 73 - HG2 LYS 40 lone 10 99 - 10 - HD2 LYS 96 - HG2 LYS 40 lone 9 100 - 9 - 5.7/3678=1 HD3 LYS 96 - HG2 LYS 40 lone 9 100 - 9 - 5.7/3678=1 HD2 LYS 96 - HG3 LYS 43 lone 7 84 - 9 - HD3 LYS 96 - HG3 LYS 43 lone 7 84 - 9 - HG3 ARG 95 - HG2 LYS 40 lone 5 99 - 5 - 7792/4.8=2 HD2 LYS 17 - HG2 LYS 40 lone 3 100 - 3 - 2862/2.7=1 HG3 LYS 39 - HG2 LYS 40 lone 3 65 - 5 - 7476/4.8=2 HB ILE 56 - HG2 LYS 94 lone 3 42 - 7 - ~9551=2, 10948/3.0=2 HG3 ARG 95 - HG3 LYS 43 lone 2 81 - 3 - HG3 ARG 95 - HG2 LYS 94 lone 2 46 - 3 - 4.7/597=3 HD2 LYS 16 - HG3 LYS 43 lone 1 81 - 1 - HD3 LYS 16 - HG3 LYS 43 lone 1 76 - 1 - HD3 LYS 43 - HG2 LYS 94 lone 1 47 - 2 - HD2 LYS 43 - HG2 LYS 94 lone 1 48 - 2 - HD2 LYS 17 - HG3 LYS 43 lone 1 84 - 1 - HG3 LYS 39 - HG3 LYS 43 lone 1 48 - 2 - HG3 LYS 123 - HG2 LYS 40 lone 1 65 - 1 - HB ILE 54 - HG2 LYS 40 lone 1 100 - 1 - HG3 LYS 123 - HG3 LYS 43 lone 0 48 - 1 - HD3 LYS 96 - HG2 LYS 94 lone 0 48 - 1 - HD2 LYS 96 - HG2 LYS 94 lone 0 48 - 1 - HD3 LYS 40 - HG2 LYS 94 lone 0 48 - 1 - HD2 LYS 40 - HG2 LYS 94 lone 0 48 - 1 - HB ILE 56 - HG3 LYS 43 lone 0 76 - 0 - HB ILE 56 - HG2 LYS 40 lone 0 96 - 0 - HB ILE 54 - HG2 LYS 94 lone 0 48 - 1 - HG12 ILE 71 - HG2 LYS 40 lone 0 84 - 0 - HB ILE 54 - HG3 LYS 43 lone 0 84 - 0 - HD3 LYS 20 - HG2 LYS 94 lone 0 45 - 0 - HD2 LYS 20 - HG2 LYS 94 lone 0 44 - 0 - HD2 LYS 16 - HG2 LYS 94 lone 0 46 - 0 - HG12 ILE 71 - HG3 LYS 43 lone 0 64 - 0 - HD3 LYS 16 - HG2 LYS 94 lone 0 42 - 0 - HD3 LYS 73 - HG2 LYS 94 lone 0 47 - 0 - HD2 LYS 73 - HG2 LYS 94 lone 0 47 - 0 - HG3 LYS 123 - HG2 LYS 94 lone 0 25 - 1 - HD2 LYS 17 - HG2 LYS 94 lone 0 48 - 0 - HG12 ILE 71 - HG2 LYS 94 lone 0 35 - 0 - HG3 LYS 39 - HG2 LYS 94 lone 0 25 - 0 - Peak 3686 from cnoeabs.peaks (2.97, 1.38, 24.98 ppm; 3.38 A): 4 out of 48 assignments used, quality = 1.00: HE3 LYS 40 + HG2 LYS 40 OK 92 100 - 92 - 3.9=63, 3733/1.8=10...(43) * HE2 LYS 40 + HG2 LYS 40 OK 92 100 - 92 - 3.9=63, 3733/1.8=10...(42) HE3 LYS 43 + HG3 LYS 43 OK 69 78 - 88 - 3.9=64, 3849/1.8=7...(20) HE2 LYS 43 + HG3 LYS 43 OK 60 67 - 89 - 3.9=64, 3849/1.8=7...(22) HE3 LYS 43 - HG2 LYS 40 OK 32 97 - 34 - 3696/1.8=3, 3732=2...(12) HE2 LYS 43 - HG2 LYS 40 OK 30 87 - 35 - 3696/1.8=3, 3885=2...(14) HE3 LYS 20 - HG2 LYS 40 OK 29 99 - 29 - 3697/1.8=3, 3732=2...(11) HE2 LYS 20 - HG2 LYS 40 OK 29 99 - 29 - 3697/1.8=3, 3732=2...(11) HE2 LYS 20 - HG3 LYS 43 OK 21 82 - 25 - 3849/1.8=2, 3732=2...(9) HE3 LYS 20 - HG3 LYS 43 OK 21 82 - 25 - 3849/1.8=2, 3732=2...(9) HE3 LYS 73 - HG3 LYS 43 OK 19 74 - 25 - 3849/1.8=2, 1.8/3885=2...(8) HE3 LYS 73 - HG2 LYS 40 OK 18 94 - 19 - 3696/1.8=2, 1.8/3885=1...(5) HE2 LYS 73 - HG2 LYS 40 OK 17 81 - 21 - 3696/1.8=2, 3885=1...(6) HE3 LYS 40 - HG3 LYS 43 OK 16 84 - 20 - 3849/1.8=2, 6.4/3652=1...(6) HE2 LYS 73 - HG3 LYS 43 OK 16 61 - 27 - 3849/1.8=2, 3885=2...(8) HE2 LYS 40 - HG3 LYS 43 OK 16 84 - 19 - 3849/1.8=2, 6.4/3652=1...(5) HE2 LYS 39 - HG2 LYS 40 OK 15 90 - 16 - 1257/4.8=1, 3696/1.8=1 HE3 LYS 39 - HG2 LYS 40 OK 14 84 - 17 - 3696/1.8=1, 1257/4.8=1 HE2 LYS 39 - HG3 LYS 43 lone 4 70 - 5 - HE3 LYS 39 - HG3 LYS 43 lone 4 64 - 5 - HB3 ASN 24 - HG2 LYS 40 lone 1 100 - 1 - HB2 ASN 24 - HG2 LYS 40 lone 1 100 - 1 - HE3 LYS 106 - HG2 LYS 40 lone 1 77 - 1 - HE3 LYS 43 - HG2 LYS 94 lone 1 44 - 2 - HE2 LYS 106 - HG2 LYS 40 lone 1 73 - 1 - HE2 LYS 43 - HG2 LYS 94 lone 1 36 - 2 - HD3 ARG 118 - HG2 LYS 40 lone 1 100 - 1 - HB3 PHE 51 - HG2 LYS 40 lone 1 100 - 1 - HB3 ASN 24 - HG3 LYS 43 lone 0 84 - 1 - HB2 ASN 24 - HG3 LYS 43 lone 0 84 - 1 - HD3 ARG 118 - HG3 LYS 43 lone 0 83 - 0 - HE2 LYS 40 - HG2 LYS 94 lone 0 48 - 1 - HE3 LYS 40 - HG2 LYS 94 lone 0 48 - 1 - HB3 PHE 51 - HG3 LYS 43 lone 0 84 - 0 - HE3 LYS 106 - HG3 LYS 43 lone 0 58 - 0 - HE2 LYS 106 - HG3 LYS 43 lone 0 55 - 0 - HD3 ARG 118 - HG2 LYS 94 lone 0 47 - 1 - HE2 LYS 20 - HG2 LYS 94 lone 0 47 - 1 - HE3 LYS 20 - HG2 LYS 94 lone 0 47 - 1 - HB2 ASN 24 - HG2 LYS 94 lone 0 48 - 0 - HB3 ASN 24 - HG2 LYS 94 lone 0 48 - 0 - HE3 LYS 73 - HG2 LYS 94 lone 0 41 - 0 - HB3 PHE 51 - HG2 LYS 94 lone 0 48 - 0 - HE2 LYS 39 - HG2 LYS 94 lone 0 38 - 0 - HE3 LYS 39 - HG2 LYS 94 lone 0 35 - 0 - HE2 LYS 73 - HG2 LYS 94 lone 0 33 - 0 - HE3 LYS 106 - HG2 LYS 94 lone 0 31 - 0 - HE2 LYS 106 - HG2 LYS 94 lone 0 29 - 0 - Peak 3687 from cnoeabs.peaks (2.97, 1.38, 24.98 ppm; 3.38 A): 4 out of 48 assignments used, quality = 1.00: * HE3 LYS 40 + HG2 LYS 40 OK 93 100 - 92 - 3.9=63, 3733/1.8=10...(43) HE2 LYS 40 + HG2 LYS 40 OK 92 100 - 92 - 3.9=63, 3733/1.8=10...(42) HE3 LYS 43 + HG3 LYS 43 OK 66 74 - 88 - 3.9=64, 1.8/3885=7...(20) HE2 LYS 43 + HG3 LYS 43 OK 55 61 - 89 - 3.9=64, 3849/1.8=7...(22) HE3 LYS 43 - HG2 LYS 40 OK 31 94 - 34 - 3696/1.8=3, 3732=2...(12) HE3 LYS 20 - HG2 LYS 40 OK 29 100 - 29 - 3697/1.8=3, 3732=2...(11) HE2 LYS 20 - HG2 LYS 40 OK 29 100 - 29 - 3697/1.8=3, 3732=2...(11) HE2 LYS 43 - HG2 LYS 40 OK 28 81 - 34 - 3696/1.8=3, 3885=2...(14) HE2 LYS 20 - HG3 LYS 43 OK 21 84 - 25 - 3106/1.8=2, 3732=2...(9) HE3 LYS 20 - HG3 LYS 43 OK 21 84 - 25 - 3106/1.8=2, 3732=2...(9) HE3 LYS 73 - HG3 LYS 43 OK 17 70 - 25 - 3849/1.8=2, 1.8/3885=2...(8) HE3 LYS 73 - HG2 LYS 40 OK 17 90 - 19 - 3696/1.8=2, 1.8/3885=1...(5) HE3 LYS 40 - HG3 LYS 43 OK 16 84 - 19 - 3849/1.8=1, 6.4/3652=1...(6) HE2 LYS 40 - HG3 LYS 43 OK 16 84 - 19 - 3849/1.8=1, 6.4/3652=1...(5) HE2 LYS 73 - HG2 LYS 40 OK 15 73 - 21 - 3696/1.8=2, 3885=1...(6) HE2 LYS 73 - HG3 LYS 43 OK 14 55 - 26 - 3849/1.8=2, ~3848=2...(8) HE2 LYS 39 - HG2 LYS 40 OK 14 84 - 16 - 1257/4.8=1, 3696/1.8=1 HE3 LYS 39 - HG2 LYS 40 OK 13 77 - 17 - 3696/1.8=1, 1257/4.8=1 HE2 LYS 39 - HG3 LYS 43 lone 4 64 - 5 - HE3 LYS 39 - HG3 LYS 43 lone 3 58 - 5 - HE3 LYS 106 - HG2 LYS 40 lone 1 84 - 1 - HB2 ASN 24 - HG2 LYS 40 lone 1 100 - 1 - HB3 ASN 24 - HG2 LYS 40 lone 1 100 - 1 - HE2 LYS 106 - HG2 LYS 40 lone 1 81 - 1 - HE3 LYS 43 - HG2 LYS 94 lone 1 41 - 2 - HE2 LYS 43 - HG2 LYS 94 lone 1 33 - 2 - HD3 ARG 118 - HG2 LYS 40 lone 1 99 - 1 - HB3 PHE 51 - HG2 LYS 40 lone 1 100 - 1 - HB2 ASN 24 - HG3 LYS 43 lone 0 84 - 1 - HB3 ASN 24 - HG3 LYS 43 lone 0 84 - 1 - HD3 ARG 118 - HG3 LYS 43 lone 0 81 - 0 - HE3 LYS 40 - HG2 LYS 94 lone 0 48 - 1 - HE2 LYS 40 - HG2 LYS 94 lone 0 48 - 1 - HB3 PHE 51 - HG3 LYS 43 lone 0 84 - 0 - HE3 LYS 106 - HG3 LYS 43 lone 0 64 - 0 - HE2 LYS 106 - HG3 LYS 43 lone 0 61 - 0 - HE2 LYS 20 - HG2 LYS 94 lone 0 48 - 1 - HE3 LYS 20 - HG2 LYS 94 lone 0 48 - 1 - HB2 ASN 24 - HG2 LYS 94 lone 0 48 - 0 - HB3 ASN 24 - HG2 LYS 94 lone 0 48 - 0 - HD3 ARG 118 - HG2 LYS 94 lone 0 46 - 1 - HE3 LYS 73 - HG2 LYS 94 lone 0 38 - 0 - HB3 PHE 51 - HG2 LYS 94 lone 0 48 - 0 - HE3 LYS 106 - HG2 LYS 94 lone 0 35 - 0 - HE2 LYS 106 - HG2 LYS 94 lone 0 33 - 0 - HE2 LYS 39 - HG2 LYS 94 lone 0 35 - 0 - HE3 LYS 39 - HG2 LYS 94 lone 0 31 - 0 - HE2 LYS 73 - HG2 LYS 94 lone 0 29 - 0 - Peak 3688 from cnoeabs.peaks (7.78, 1.62, 24.98 ppm; 3.82 A): 2 out of 2 assignments used, quality = 0.96: * H LYS 40 + HG3 LYS 40 OK 94 100 - 94 - 4.8=52, 1251/2.7=31...(20) H LYS 96 + HG3 LYS 40 OK 42 97 - 44 - 3658/2.7=11, 3668/2.7=9...(9) Peak 3689 from cnoeabs.peaks (4.02, 1.62, 24.98 ppm; 3.71 A): 1 out of 12 assignments used, quality = 0.98: * HA LYS 40 + HG3 LYS 40 OK 98 100 - 98 - 4.0=82, 3650/2.7=29...(29) HA GLU 119 - HG3 LYS 40 lone 5 99 - 5 - 3679/1.8=1, 3653=1 HA LYS 123 - HG3 LYS 40 lone 3 100 - 3 - HA GLU 13 - HG3 LYS 40 lone 3 99 - 3 - HB2 SER 126 - HG3 LYS 40 lone 3 100 - 3 - HB3 SER 126 - HG3 LYS 40 lone 3 96 - 3 - HA PHE 120 - HG3 LYS 40 lone 2 100 - 2 - HA GLU 66 - HG3 LYS 40 lone 2 99 - 2 - HA3 GLY 75 - HG3 LYS 40 lone 1 92 - 1 - HA GLU 92 - HG3 LYS 40 lone 1 92 - 1 - HA GLU 87 - HG3 LYS 40 lone 1 84 - 1 - HA3 GLY 101 - HG3 LYS 40 lone 1 84 - 1 - Peak 3690 from cnoeabs.peaks (1.99, 1.62, 24.98 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 40 + HG3 LYS 40 OK 100 100 - 100 - 2.7=100 Peak 3691 from cnoeabs.peaks (1.95, 1.62, 24.98 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 40 + HG3 LYS 40 OK 100 100 - 100 - 2.7=100 Peak 3692 from cnoeabs.peaks (1.38, 1.62, 24.98 ppm; 2.47 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 40 + HG3 LYS 40 OK 100 100 - 100 - 1.8=100 Peak 3693 from cnoeabs.peaks (1.62, 1.62, 24.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 40 + HG3 LYS 40 OK 100 100 - 100 Peak 3694 from cnoeabs.peaks (1.68, 1.62, 24.98 ppm; 2.40 A): 2 out of 20 assignments used, quality = 0.96: HD3 LYS 40 + HG3 LYS 40 OK 81 100 - 81 - 2.9=55, 3712/1.8=6...(27) * HD2 LYS 40 + HG3 LYS 40 OK 81 100 - 81 - 2.9=55, 3712/1.8=6...(27) HD2 LYS 16 - HG3 LYS 40 OK 32 99 - 33 - 3703=4, 3700/2.7=2...(7) HD3 LYS 16 - HG3 LYS 40 OK 32 97 - 33 - 3703=4, 3700/2.7=2...(11) HD2 LYS 43 - HG3 LYS 40 OK 14 100 - 14 - 3.0/3723=1 HD3 LYS 43 - HG3 LYS 40 OK 14 100 - 14 - 3.0/3723=1 HD3 LYS 20 - HG3 LYS 40 OK 12 99 - 12 - HD2 LYS 20 - HG3 LYS 40 OK 12 98 - 12 - HD3 LYS 73 - HG3 LYS 40 lone 9 100 - 9 - HD2 LYS 73 - HG3 LYS 40 lone 9 100 - 9 - HD2 LYS 96 - HG3 LYS 40 lone 7 100 - 7 - 5.7/3688=1 HD3 LYS 96 - HG3 LYS 40 lone 7 100 - 7 - 5.7/3688=1 HD2 LYS 17 - HG3 LYS 40 lone 3 100 - 3 - HG3 ARG 95 - HG3 LYS 40 lone 3 98 - 3 - 7792/4.8=1 HG3 LYS 39 - HG3 LYS 40 lone 3 70 - 4 - 7476/4.8=1 HG3 LYS 123 - HG3 LYS 40 lone 1 70 - 1 - HD2 LYS 44 - HG3 LYS 40 lone 1 61 - 1 - HB ILE 54 - HG3 LYS 40 lone 0 100 - 0 - HB ILE 56 - HG3 LYS 40 lone 0 97 - 0 - HG12 ILE 71 - HG3 LYS 40 lone 0 87 - 0 - Peak 3695 from cnoeabs.peaks (1.68, 1.62, 24.98 ppm; 2.40 A): 2 out of 19 assignments used, quality = 0.96: * HD3 LYS 40 + HG3 LYS 40 OK 81 100 - 81 - 2.9=55, 3712/1.8=6...(27) HD2 LYS 40 + HG3 LYS 40 OK 81 100 - 81 - 2.9=55, 3712/1.8=6...(27) HD2 LYS 16 - HG3 LYS 40 OK 32 99 - 33 - 3703=4, 3700/2.7=2...(7) HD3 LYS 16 - HG3 LYS 40 OK 31 96 - 33 - 3703=4, 3700/2.7=2...(11) HD2 LYS 43 - HG3 LYS 40 OK 14 100 - 14 - 3.0/3723=1 HD3 LYS 43 - HG3 LYS 40 OK 14 100 - 14 - 3.0/3723=1 HD3 LYS 20 - HG3 LYS 40 OK 12 98 - 12 - HD2 LYS 20 - HG3 LYS 40 OK 11 97 - 12 - HD3 LYS 73 - HG3 LYS 40 lone 9 100 - 9 - HD2 LYS 73 - HG3 LYS 40 lone 9 99 - 9 - HD2 LYS 96 - HG3 LYS 40 lone 7 100 - 7 - 5.7/3688=1 HD3 LYS 96 - HG3 LYS 40 lone 7 100 - 7 - 5.7/3688=1 HG3 ARG 95 - HG3 LYS 40 lone 3 99 - 3 - 7792/4.8=1 HD2 LYS 17 - HG3 LYS 40 lone 3 100 - 3 - HG3 LYS 39 - HG3 LYS 40 lone 3 65 - 4 - 7476/4.8=1 HG3 LYS 123 - HG3 LYS 40 lone 1 65 - 1 - HB ILE 54 - HG3 LYS 40 lone 0 100 - 0 - HB ILE 56 - HG3 LYS 40 lone 0 96 - 0 - HG12 ILE 71 - HG3 LYS 40 lone 0 84 - 0 - Peak 3696 from cnoeabs.peaks (2.97, 1.62, 24.98 ppm; 3.52 A): 2 out of 16 assignments used, quality = 1.00: HE3 LYS 40 + HG3 LYS 40 OK 95 100 - 95 - 3.9=72, 1.8/3733=11...(53) * HE2 LYS 40 + HG3 LYS 40 OK 95 100 - 95 - 3.9=72, 1.8/3733=11...(53) HE3 LYS 43 - HG3 LYS 40 OK 36 97 - 37 - 3723=3, 1.8/3723=2...(15) HE2 LYS 43 - HG3 LYS 40 OK 33 87 - 38 - 1.8/3723=3, 3723=3...(21) HE2 LYS 20 - HG3 LYS 40 OK 32 99 - 32 - 3733=3, 1.8/3733=3...(15) HE3 LYS 20 - HG3 LYS 40 OK 32 99 - 32 - 3733=3, 1.8/3733=3...(15) HE3 LYS 73 - HG3 LYS 40 OK 21 94 - 23 - 3723=2, 1.8/3723=1...(6) HE2 LYS 73 - HG3 LYS 40 OK 20 81 - 24 - 1.8/3723=2, 3723=1...(6) HE2 LYS 39 - HG3 LYS 40 OK 17 90 - 19 - 1257/4.8=2, 3723=1...(4) HE3 LYS 39 - HG3 LYS 40 OK 16 84 - 19 - 1257/4.8=1, 1.8/3723=1, 3723=1 HB3 ASN 24 - HG3 LYS 40 lone 1 100 - 1 - HB2 ASN 24 - HG3 LYS 40 lone 1 100 - 1 - HE3 LYS 106 - HG3 LYS 40 lone 1 77 - 1 - HE2 LYS 106 - HG3 LYS 40 lone 1 73 - 1 - HD3 ARG 118 - HG3 LYS 40 lone 1 100 - 1 - HB3 PHE 51 - HG3 LYS 40 lone 1 100 - 1 - Peak 3697 from cnoeabs.peaks (2.97, 1.62, 24.98 ppm; 3.52 A): 2 out of 16 assignments used, quality = 1.00: * HE3 LYS 40 + HG3 LYS 40 OK 95 100 - 95 - 3.9=72, 1.8/3733=11...(53) HE2 LYS 40 + HG3 LYS 40 OK 95 100 - 95 - 3.9=72, 1.8/3733=11...(53) HE3 LYS 43 - HG3 LYS 40 OK 35 94 - 37 - 3723=3, 1.8/3723=2...(15) HE2 LYS 20 - HG3 LYS 40 OK 32 100 - 32 - 3733=3, 1.8/3733=3...(15) HE3 LYS 20 - HG3 LYS 40 OK 32 100 - 32 - 3733=3, 1.8/3733=3...(15) HE2 LYS 43 - HG3 LYS 40 OK 30 81 - 38 - 1.8/3723=3, 3723=3...(21) HE3 LYS 73 - HG3 LYS 40 OK 20 90 - 23 - 3723=2, 1.8/3723=1...(6) HE2 LYS 73 - HG3 LYS 40 OK 18 73 - 24 - 1.8/3723=2, 3723=1...(6) HE2 LYS 39 - HG3 LYS 40 OK 16 84 - 19 - 1257/4.8=2, 3723=1...(4) HE3 LYS 39 - HG3 LYS 40 OK 15 77 - 19 - 1257/4.8=1, 1.8/3723=1, 3723=1 HB3 ASN 24 - HG3 LYS 40 lone 1 100 - 1 - HB2 ASN 24 - HG3 LYS 40 lone 1 100 - 1 - HE3 LYS 106 - HG3 LYS 40 lone 1 84 - 1 - HE2 LYS 106 - HG3 LYS 40 lone 1 81 - 1 - HD3 ARG 118 - HG3 LYS 40 lone 1 99 - 1 - HB3 PHE 51 - HG3 LYS 40 lone 1 100 - 1 - Peak 3699 from cnoeabs.peaks (4.02, 1.68, 29.33 ppm; 3.34 A): 3 out of 48 assignments used, quality = 0.99: * HA LYS 40 + HD2 LYS 40 OK 84 100 - 84 - 5.3=25, 3689/2.9=19...(32) HA LYS 40 + HD3 LYS 40 OK 84 100 - 84 - 5.3=25, 3689/2.9=19...(32) HA LYS 40 + HD2 LYS 16 OK 46 95 - 48 - 11425/2.9=6, 11424/2.9=6...(24) HA LYS 40 - HD3 LYS 16 OK 42 89 - 48 - 11425/2.9=6, 11424/2.9=6...(24) HA GLU 13 - HD2 LYS 16 OK 15 93 - 16 - 11425/2.9=3, 11424/2.9=3...(8) HA GLU 13 - HD3 LYS 16 OK 14 87 - 16 - 11425/2.9=3, 11424/2.9=3...(9) HB2 SER 126 - HD2 LYS 16 OK 10 95 - 11 - 11425/2.9=2, 11424/2.9=2...(6) HB2 SER 126 - HD3 LYS 16 poor 10 88 - 11 - 11425/2.9=2, 11424/2.9=2...(6) HA LYS 123 - HD2 LYS 16 lone 9 94 - 10 - 11425/2.9=1, 11424/2.9=1 HB3 SER 126 - HD2 LYS 16 poor 9 88 - 11 - 11425/2.9=2, 11424/2.9=2...(6) HB3 SER 126 - HD3 LYS 16 poor 8 81 - 11 - 11425/2.9=2, 11424/2.9=2...(6) HA LYS 123 - HD3 LYS 16 lone 8 88 - 9 - 11425/2.9=1, 11424/2.9=1 HA3 GLY 75 - HD2 LYS 16 lone 7 84 - 8 - 11425/2.9=1, 11424/2.9=1 HA3 GLY 75 - HD3 LYS 16 lone 6 77 - 8 - 11425/2.9=1, 11424/2.9=1 HA GLU 119 - HD2 LYS 16 lone 5 92 - 5 - 11425/2.9=1, 11424/2.9=1 HA GLU 119 - HD3 LYS 16 lone 5 86 - 5 - 11425/2.9=1, 11424/2.9=1 HA GLU 119 - HD2 LYS 40 lone 4 99 - 4 - HA GLU 119 - HD3 LYS 40 lone 4 99 - 4 - HA LYS 123 - HD3 LYS 40 lone 3 100 - 3 - HA LYS 123 - HD2 LYS 40 lone 3 100 - 3 - HA GLU 66 - HD2 LYS 16 lone 3 93 - 3 - HA GLU 13 - HD2 LYS 40 lone 3 99 - 3 - HA PHE 120 - HD2 LYS 16 lone 3 95 - 3 - HA GLU 13 - HD3 LYS 40 lone 3 99 - 3 - HA GLU 66 - HD3 LYS 16 lone 3 87 - 3 - HA PHE 120 - HD3 LYS 16 lone 3 89 - 3 - HA GLU 92 - HD2 LYS 16 lone 2 84 - 3 - HB2 SER 126 - HD2 LYS 40 lone 2 100 - 2 - HB2 SER 126 - HD3 LYS 40 lone 2 100 - 2 - HB3 SER 126 - HD2 LYS 40 lone 2 96 - 2 - HB3 SER 126 - HD3 LYS 40 lone 2 95 - 2 - HA GLU 92 - HD3 LYS 16 lone 2 77 - 2 - HA PHE 120 - HD2 LYS 40 lone 2 100 - 2 - HA PHE 120 - HD3 LYS 40 lone 2 100 - 2 - HA GLU 66 - HD2 LYS 40 lone 1 99 - 1 - HA GLU 66 - HD3 LYS 40 lone 1 99 - 1 - HA GLU 92 - HD2 LYS 40 lone 1 92 - 1 - HA GLU 92 - HD3 LYS 40 lone 1 92 - 1 - HA3 GLY 75 - HD2 LYS 40 lone 1 92 - 1 - HA3 GLY 75 - HD3 LYS 40 lone 1 92 - 1 - HA GLU 87 - HD2 LYS 16 lone 1 75 - 1 - HA GLU 87 - HD3 LYS 16 lone 1 68 - 1 - HA GLU 87 - HD2 LYS 40 lone 1 84 - 1 - HA GLU 87 - HD3 LYS 40 lone 0 84 - 1 - HA3 GLY 101 - HD2 LYS 16 lone 0 75 - 1 - HA3 GLY 101 - HD3 LYS 16 lone 0 68 - 1 - HA3 GLY 101 - HD2 LYS 40 lone 0 84 - 0 - HA3 GLY 101 - HD3 LYS 40 lone 0 84 - 0 - Peak 3700 from cnoeabs.peaks (1.99, 1.68, 29.33 ppm; 2.84 A): 2 out of 24 assignments used, quality = 0.98: HB2 LYS 40 + HD3 LYS 40 OK 87 100 - 87 - 3.6=50, 1.8/3711=8...(45) * HB2 LYS 40 + HD2 LYS 40 OK 87 100 - 87 - 3.6=50, 1.8/3711=8...(45) HB2 LYS 40 - HD2 LYS 16 OK 42 95 - 45 - 3665=4, 1.8/3701=4...(17) HB2 LYS 40 - HD3 LYS 16 OK 39 89 - 45 - 3664=4, 1.8/3701=3...(19) HB3 LYS 96 - HD3 LYS 40 poor 8 61 - 13 - 3.0/6077=1, 1251/6.2=1 HB3 LYS 96 - HD2 LYS 40 poor 8 61 - 13 - 3.0/6077=1, 1251/6.2=1 HB2 LYS 17 - HD2 LYS 16 lone 8 94 - 8 - 4.0/7370=2, 3.0/2816=2, ~2816=1 HB2 LYS 17 - HD3 LYS 16 lone 7 88 - 8 - 4.0/7370=2, 3.0/2816=2, ~2816=1 HB2 LYS 17 - HD2 LYS 40 lone 3 100 - 3 - 4.0/7370=1 HB2 LYS 17 - HD3 LYS 40 lone 3 100 - 3 - 4.0/7370=1 HB3 LYS 96 - HD2 LYS 16 lone 2 54 - 4 - HB3 LYS 96 - HD3 LYS 16 lone 2 48 - 4 - HB3 GLU 103 - HD2 LYS 40 lone 1 100 - 1 - HB3 GLU 103 - HD3 LYS 40 lone 1 100 - 1 - HB VAL 22 - HD2 LYS 40 lone 0 98 - 0 - HB VAL 22 - HD3 LYS 40 lone 0 98 - 0 - HB3 GLU 103 - HD2 LYS 16 lone 0 94 - 0 - HB VAL 22 - HD2 LYS 16 lone 0 91 - 0 - HB3 GLU 103 - HD3 LYS 16 lone 0 88 - 0 - HB VAL 22 - HD3 LYS 16 lone 0 84 - 0 - HB3 GLU 21 - HD2 LYS 16 lone 0 62 - 0 - HB3 GLU 21 - HD2 LYS 40 lone 0 70 - 0 - HB3 GLU 21 - HD3 LYS 40 lone 0 69 - 0 - HB3 GLU 21 - HD3 LYS 16 lone 0 55 - 0 - Peak 3701 from cnoeabs.peaks (1.95, 1.68, 29.33 ppm; 2.69 A): 2 out of 68 assignments used, quality = 0.97: HB3 LYS 40 + HD3 LYS 40 OK 82 100 - 81 - 3.6=42, 1.8/3710=9...(44) * HB3 LYS 40 + HD2 LYS 40 OK 81 100 - 81 - 3.6=42, 1.8/3710=9...(44) HB3 LYS 40 - HD2 LYS 16 OK 36 95 - 38 - 1.8/3700=4, 3675=3...(15) HB3 LYS 40 - HD3 LYS 16 OK 33 89 - 38 - 1.8/3700=4, 3675=3...(15) HB3 LYS 39 - HD3 LYS 40 lone 10 100 - 10 - 7474/6.2=2 HB3 LYS 39 - HD2 LYS 40 lone 10 100 - 10 - 7474/6.2=2 HB2 LYS 39 - HD3 LYS 40 lone 8 89 - 9 - 4.3/1256=2 HB2 LYS 39 - HD2 LYS 40 lone 8 90 - 9 - 4.3/1256=2 HB3 GLU 41 - HD2 LYS 40 lone 5 99 - 5 - 4.0/7487=2 HB3 GLU 41 - HD3 LYS 40 lone 5 99 - 5 - 4.0/7487=2 HB2 GLU 41 - HD2 LYS 40 lone 5 99 - 5 - 4.0/7487=2 HB2 GLU 41 - HD3 LYS 40 lone 5 99 - 5 - 4.0/7487=2 HB3 LYS 39 - HD2 LYS 16 lone 4 94 - 5 - HB3 LYS 39 - HD3 LYS 16 lone 4 88 - 4 - HB2 LYS 39 - HD2 LYS 16 lone 3 81 - 4 - HB2 LYS 123 - HD2 LYS 16 lone 3 81 - 4 - HB2 LYS 39 - HD3 LYS 16 lone 3 74 - 4 - HB3 LYS 115 - HD2 LYS 16 lone 3 81 - 3 - HB2 LYS 123 - HD3 LYS 16 lone 3 74 - 3 - HB2 LYS 65 - HD2 LYS 16 lone 2 81 - 3 - HB3 LYS 115 - HD3 LYS 16 lone 2 74 - 3 - HB3 LYS 65 - HD2 LYS 16 lone 2 78 - 3 - HB2 LYS 65 - HD3 LYS 16 lone 2 74 - 3 - HB2 LYS 115 - HD2 LYS 16 lone 2 62 - 3 - HB3 LYS 65 - HD3 LYS 16 lone 2 71 - 3 - HB3 GLU 41 - HD2 LYS 16 lone 2 93 - 2 - HB2 GLU 41 - HD2 LYS 16 lone 2 92 - 2 - HB2 LYS 115 - HD3 LYS 16 lone 2 55 - 3 - HB3 GLU 41 - HD3 LYS 16 lone 2 87 - 2 - HB2 GLU 41 - HD3 LYS 16 lone 2 86 - 2 - HB3 MET 42 - HD2 LYS 40 lone 2 99 - 2 - HB3 MET 42 - HD3 LYS 40 lone 2 99 - 2 - HB2 LYS 123 - HD2 LYS 40 lone 1 90 - 2 - HB2 LYS 123 - HD3 LYS 40 lone 1 89 - 2 - HB3 MET 42 - HD2 LYS 16 lone 1 92 - 1 - HB3 MET 42 - HD3 LYS 16 lone 1 86 - 1 - HB3 LYS 115 - HD2 LYS 40 lone 1 90 - 1 - HB3 LYS 115 - HD3 LYS 40 lone 1 89 - 1 - HB2 LYS 65 - HD2 LYS 40 lone 1 90 - 1 - HB2 LYS 65 - HD3 LYS 40 lone 1 89 - 1 - HB3 LYS 65 - HD2 LYS 40 lone 1 87 - 1 - HB3 LYS 65 - HD3 LYS 40 lone 1 87 - 1 - HB2 LYS 115 - HD2 LYS 40 lone 1 70 - 1 - HB2 LYS 115 - HD3 LYS 40 lone 1 69 - 1 - HB2 LEU 70 - HD2 LYS 16 lone 0 94 - 0 - HB VAL 104 - HD2 LYS 40 lone 0 100 - 0 - HB VAL 104 - HD3 LYS 40 lone 0 100 - 0 - HB2 LEU 70 - HD2 LYS 40 lone 0 100 - 0 - HB2 LEU 70 - HD3 LYS 40 lone 0 100 - 0 - HB VAL 29 - HD2 LYS 40 lone 0 96 - 0 - HB VAL 29 - HD3 LYS 40 lone 0 95 - 0 - HB2 LEU 70 - HD3 LYS 16 lone 0 88 - 0 - HB2 LEU 127 - HD2 LYS 40 lone 0 87 - 0 - HB2 LEU 127 - HD3 LYS 40 lone 0 87 - 0 - HB VAL 104 - HD2 LYS 16 lone 0 95 - 0 - HB3 GLU 128 - HD2 LYS 40 lone 0 94 - 0 - HB3 GLU 128 - HD3 LYS 40 lone 0 94 - 0 - HB VAL 104 - HD3 LYS 16 lone 0 88 - 0 - HB VAL 29 - HD2 LYS 16 lone 0 88 - 0 - HB VAL 29 - HD3 LYS 16 lone 0 81 - 0 - HB3 GLU 52 - HD2 LYS 40 lone 0 97 - 0 - HB3 GLU 52 - HD3 LYS 40 lone 0 97 - 0 - HB2 LEU 127 - HD2 LYS 16 lone 0 78 - 0 - HB3 GLU 52 - HD2 LYS 16 lone 0 90 - 0 - HB2 LEU 127 - HD3 LYS 16 lone 0 71 - 0 - HB3 GLU 52 - HD3 LYS 16 lone 0 83 - 0 - HB3 GLU 128 - HD2 LYS 16 lone 0 86 - 0 - HB3 GLU 128 - HD3 LYS 16 lone 0 79 - 0 - Peak 3702 from cnoeabs.peaks (1.38, 1.68, 29.33 ppm; 2.61 A): 4 out of 28 assignments used, quality = 1.00: HG2 LYS 40 + HD3 LYS 40 OK 89 100 - 89 - 2.9=70, 1.8/3695=9...(28) * HG2 LYS 40 + HD2 LYS 40 OK 89 100 - 89 - 2.9=70, 1.8/3695=9...(28) HG3 LYS 16 + HD2 LYS 16 OK 54 62 - 87 - 2.9=70, 1.8/2756=10...(25) HG3 LYS 16 + HD3 LYS 16 OK 48 55 - 87 - 2.9=70, 1.8/2756=10...(25) HG2 LYS 40 - HD2 LYS 16 OK 33 95 - 35 - 1.8/3694=3, 2.7/3700=3...(16) HG2 LYS 40 - HD3 LYS 16 OK 31 89 - 35 - 1.8/3694=3, 3684=3...(16) HG3 LYS 16 - HD2 LYS 40 OK 17 70 - 25 - 1.8/2756=3, 2766=2...(7) HG3 LYS 16 - HD3 LYS 40 OK 17 69 - 25 - 1.8/2756=3, 2766=2...(7) HG3 LYS 43 - HD3 LYS 40 OK 12 94 - 12 - 3652/5.3=1, 1.8/3846=1 HG3 LYS 43 - HD2 LYS 40 OK 11 94 - 12 - 3652/5.3=1, 1.8/3846=1 HG3 LYS 43 - HD2 LYS 16 lone 1 86 - 1 - HG3 LYS 43 - HD3 LYS 16 lone 1 79 - 1 - HG LEU 14 - HD2 LYS 16 lone 1 95 - 1 - HG LEU 14 - HD3 LYS 16 lone 1 88 - 1 - HB3 LEU 114 - HD2 LYS 16 lone 1 58 - 1 - HB3 LEU 114 - HD3 LYS 16 lone 1 52 - 1 - HG2 LYS 94 - HD2 LYS 40 lone 1 92 - 1 - HG2 LYS 94 - HD3 LYS 40 lone 1 92 - 1 - HB3 LEU 68 - HD2 LYS 16 lone 1 95 - 1 - HB3 LEU 68 - HD3 LYS 16 lone 1 88 - 1 - HB3 LEU 68 - HD2 LYS 40 lone 0 100 - 0 - HB3 LEU 68 - HD3 LYS 40 lone 0 100 - 0 - HG LEU 14 - HD2 LYS 40 lone 0 100 - 0 - HG LEU 14 - HD3 LYS 40 lone 0 100 - 0 - HG2 LYS 94 - HD2 LYS 16 lone 0 84 - 0 - HG2 LYS 94 - HD3 LYS 16 lone 0 77 - 0 - HB3 LEU 114 - HD2 LYS 40 lone 0 65 - 0 - HB3 LEU 114 - HD3 LYS 40 lone 0 65 - 0 - Peak 3703 from cnoeabs.peaks (1.62, 1.68, 29.33 ppm; 2.40 A): 4 out of 40 assignments used, quality = 1.00: HG3 LYS 40 + HD3 LYS 40 OK 81 100 - 81 - 2.9=55, 3695/1.8=8...(29) * HG3 LYS 40 + HD2 LYS 40 OK 81 100 - 81 - 2.9=55, 3695/1.8=8...(29) HG2 LYS 16 + HD2 LYS 16 OK 72 90 - 80 - 2.9=55, 2757/1.8=8...(21) HG2 LYS 16 + HD3 LYS 16 OK 66 83 - 80 - 2.9=55, 2756/1.8=8...(21) HG3 LYS 40 - HD2 LYS 16 OK 32 95 - 34 - 3694=5, 3694/1.8=3...(7) HG3 LYS 40 - HD3 LYS 16 OK 30 89 - 34 - 3694=5, 3695/1.8=3...(11) HG2 LYS 16 - HD2 LYS 40 OK 23 97 - 24 - 2756=4, 2756/1.8=3...(6) HG2 LYS 16 - HD3 LYS 40 OK 23 97 - 24 - 2756=4, 2756/1.8=3...(6) HB2 LEU 82 - HD2 LYS 16 lone 1 95 - 1 - HB2 LEU 82 - HD3 LYS 16 lone 1 88 - 1 - HB3 LEU 64 - HD2 LYS 16 lone 1 86 - 1 - HB3 LEU 64 - HD3 LYS 16 lone 1 79 - 1 - HD3 LYS 77 - HD2 LYS 16 lone 0 94 - 0 - HD2 LYS 77 - HD2 LYS 16 lone 0 93 - 0 - HB ILE 116 - HD2 LYS 16 lone 0 84 - 1 - HD3 LYS 77 - HD3 LYS 16 lone 0 88 - 0 - HG LEU 63 - HD2 LYS 40 lone 0 100 - 0 - HG LEU 63 - HD3 LYS 40 lone 0 100 - 0 - HD2 LYS 77 - HD3 LYS 16 lone 0 87 - 0 - HG LEU 63 - HD2 LYS 16 lone 0 95 - 0 - HG LEU 63 - HD3 LYS 16 lone 0 89 - 0 - HB ILE 116 - HD3 LYS 16 lone 0 77 - 1 - HB3 LEU 127 - HD2 LYS 40 lone 0 97 - 0 - HB3 LEU 127 - HD3 LYS 40 lone 0 97 - 0 - HB2 LEU 82 - HD2 LYS 40 lone 0 100 - 0 - HB2 LEU 82 - HD3 LYS 40 lone 0 100 - 0 - HD3 LYS 77 - HD2 LYS 40 lone 0 100 - 0 - HD3 LYS 77 - HD3 LYS 40 lone 0 100 - 0 - HD2 LYS 77 - HD2 LYS 40 lone 0 99 - 0 - HD2 LYS 77 - HD3 LYS 40 lone 0 99 - 0 - HB3 LEU 64 - HD2 LYS 40 lone 0 94 - 0 - HB3 LEU 64 - HD3 LYS 40 lone 0 94 - 0 - HB3 LEU 127 - HD2 LYS 16 lone 0 90 - 0 - HB ILE 116 - HD2 LYS 40 lone 0 92 - 0 - HB ILE 116 - HD3 LYS 40 lone 0 92 - 0 - HB3 LEU 127 - HD3 LYS 16 lone 0 83 - 0 - HG LEU 90 - HD2 LYS 40 lone 0 61 - 0 - HG LEU 90 - HD3 LYS 40 lone 0 61 - 0 - HG LEU 90 - HD2 LYS 16 lone 0 54 - 0 - HG LEU 90 - HD3 LYS 16 lone 0 48 - 0 - Peak 3704 from cnoeabs.peaks (1.68, 1.68, 29.33 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD2 LYS 40 + HD2 LYS 40 OK 100 100 - 100 HD3 LYS 40 + HD3 LYS 40 OK 100 100 - 100 HD2 LYS 16 + HD2 LYS 16 OK 93 93 - 100 HD3 LYS 16 + HD3 LYS 16 OK 83 83 - 100 Peak 3705 from cnoeabs.peaks (1.68, 1.68, 29.33 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD2 LYS 40 + HD2 LYS 40 OK 100 100 - 100 HD3 LYS 40 + HD3 LYS 40 OK 100 100 - 100 HD2 LYS 16 + HD2 LYS 16 OK 92 92 - 100 HD3 LYS 16 + HD3 LYS 16 OK 81 81 - 100 Reference assignment not found: HD3 LYS 40 - HD2 LYS 40 Peak 3706 from cnoeabs.peaks (2.97, 1.68, 29.33 ppm; 2.64 A): 4 out of 64 assignments used, quality = 1.00: HE3 LYS 40 + HD2 LYS 40 OK 83 100 - 83 - 3.0=70, 3733/2.9=5...(20) HE3 LYS 40 + HD3 LYS 40 OK 83 100 - 83 - 3.0=70, 3733/2.9=5...(20) * HE2 LYS 40 + HD2 LYS 40 OK 83 100 - 83 - 3.0=70, 3733/2.9=5...(19) HE2 LYS 40 + HD3 LYS 40 OK 83 100 - 83 - 3.0=70, 3733/2.9=5...(19) HE2 LYS 40 - HD2 LYS 16 OK 16 95 - 17 - 3.9/3694=1, 3733/2.9=1...(4) HE3 LYS 40 - HD2 LYS 16 OK 15 95 - 16 - 3.9/3694=1, 3.9/3702=1 HE2 LYS 40 - HD3 LYS 16 OK 14 89 - 16 - 3.9/3694=1, 3733/2.9=1 HE3 LYS 40 - HD3 LYS 16 OK 14 88 - 16 - 3.9/3694=1 HE3 LYS 43 - HD2 LYS 40 OK 13 97 - 14 - 3696/2.9=1 HE3 LYS 43 - HD3 LYS 40 OK 13 97 - 14 - 3696/2.9=1 HE3 LYS 20 - HD2 LYS 40 OK 13 99 - 13 - 3733/2.9=1 HE2 LYS 20 - HD2 LYS 40 OK 13 99 - 13 - 3733/2.9=1 HE3 LYS 20 - HD3 LYS 40 OK 13 99 - 13 - 3733/2.9=1 HE2 LYS 20 - HD3 LYS 40 OK 13 99 - 13 - 3733/2.9=1 HE2 LYS 43 - HD2 LYS 40 OK 12 87 - 14 - 3696/2.9=1 HE2 LYS 43 - HD3 LYS 40 OK 12 87 - 14 - 3696/2.9=1 HE3 LYS 73 - HD2 LYS 40 lone 7 94 - 8 - HE3 LYS 73 - HD3 LYS 40 lone 7 94 - 8 - HE2 LYS 73 - HD2 LYS 40 lone 7 81 - 9 - HE2 LYS 73 - HD3 LYS 40 lone 7 80 - 9 - HE2 LYS 39 - HD2 LYS 40 lone 6 90 - 7 - HE2 LYS 39 - HD3 LYS 40 lone 6 89 - 7 - HE3 LYS 39 - HD2 LYS 40 lone 6 84 - 7 - HE3 LYS 39 - HD3 LYS 40 lone 6 84 - 7 - HE3 LYS 20 - HD2 LYS 16 lone 3 93 - 3 - HE2 LYS 20 - HD2 LYS 16 lone 3 93 - 3 - HE2 LYS 20 - HD3 LYS 16 lone 3 87 - 3 - HE3 LYS 20 - HD3 LYS 16 lone 3 87 - 3 - HE3 LYS 73 - HD2 LYS 16 lone 2 86 - 2 - HE3 LYS 73 - HD3 LYS 16 lone 1 79 - 2 - HE2 LYS 73 - HD2 LYS 16 lone 1 72 - 2 - HE2 LYS 73 - HD3 LYS 16 lone 1 65 - 2 - HE3 LYS 43 - HD2 LYS 16 lone 1 90 - 1 - HE3 LYS 43 - HD3 LYS 16 lone 1 83 - 1 - HE2 LYS 43 - HD2 LYS 16 lone 1 78 - 1 - HE2 LYS 43 - HD3 LYS 16 lone 1 71 - 1 - HE2 LYS 39 - HD2 LYS 16 lone 1 81 - 1 - HE3 LYS 39 - HD2 LYS 16 lone 1 75 - 1 - HE2 LYS 39 - HD3 LYS 16 lone 1 74 - 1 - HE3 LYS 39 - HD3 LYS 16 lone 1 68 - 1 - HB3 ASN 24 - HD2 LYS 40 lone 0 100 - 0 - HB2 ASN 24 - HD2 LYS 40 lone 0 100 - 0 - HB3 ASN 24 - HD3 LYS 40 lone 0 100 - 0 - HB2 ASN 24 - HD3 LYS 40 lone 0 100 - 0 - HE3 LYS 106 - HD2 LYS 40 lone 0 77 - 1 - HE3 LYS 106 - HD3 LYS 40 lone 0 77 - 1 - HE2 LYS 106 - HD2 LYS 40 lone 0 73 - 1 - HE2 LYS 106 - HD3 LYS 40 lone 0 73 - 1 - HD3 ARG 118 - HD2 LYS 40 lone 0 100 - 0 - HD3 ARG 118 - HD3 LYS 40 lone 0 100 - 0 - HB3 PHE 51 - HD2 LYS 40 lone 0 100 - 0 - HB3 PHE 51 - HD3 LYS 40 lone 0 100 - 0 - HE3 LYS 106 - HD2 LYS 16 lone 0 69 - 0 - HD3 ARG 118 - HD2 LYS 16 lone 0 94 - 0 - HE2 LYS 106 - HD2 LYS 16 lone 0 65 - 0 - HB3 ASN 24 - HD2 LYS 16 lone 0 95 - 0 - HB2 ASN 24 - HD2 LYS 16 lone 0 95 - 0 - HB3 PHE 51 - HD2 LYS 16 lone 0 95 - 0 - HD3 ARG 118 - HD3 LYS 16 lone 0 88 - 0 - HE3 LYS 106 - HD3 LYS 16 lone 0 62 - 0 - HB2 ASN 24 - HD3 LYS 16 lone 0 88 - 0 - HB3 ASN 24 - HD3 LYS 16 lone 0 88 - 0 - HE2 LYS 106 - HD3 LYS 16 lone 0 59 - 0 - HB3 PHE 51 - HD3 LYS 16 lone 0 88 - 0 - Peak 3707 from cnoeabs.peaks (2.97, 1.68, 29.33 ppm; 2.64 A): 4 out of 64 assignments used, quality = 1.00: HE3 LYS 40 + HD3 LYS 40 OK 83 100 - 83 - 3.0=70, 3733/2.9=5...(20) * HE3 LYS 40 + HD2 LYS 40 OK 83 100 - 83 - 3.0=70, 3733/2.9=5...(20) HE2 LYS 40 + HD2 LYS 40 OK 83 100 - 83 - 3.0=70, 3733/2.9=5...(19) HE2 LYS 40 + HD3 LYS 40 OK 83 100 - 83 - 3.0=70, 3733/2.9=5...(19) HE2 LYS 40 - HD2 LYS 16 OK 16 95 - 17 - 3.9/3694=1, 3733/2.9=1...(4) HE3 LYS 40 - HD2 LYS 16 OK 15 95 - 17 - 3.9/3694=1, 3.9/3702=1 HE2 LYS 40 - HD3 LYS 16 OK 14 88 - 16 - 3.9/3694=1, 3733/2.9=1 HE3 LYS 40 - HD3 LYS 16 OK 14 89 - 16 - 3.9/3694=1 HE3 LYS 43 - HD2 LYS 40 OK 13 94 - 14 - 3723/2.9=1 HE3 LYS 43 - HD3 LYS 40 OK 13 94 - 14 - 3723/2.9=1 HE2 LYS 20 - HD2 LYS 40 OK 13 100 - 13 - 3733/2.9=1 HE3 LYS 20 - HD2 LYS 40 OK 13 100 - 13 - 3733/2.9=1 HE3 LYS 20 - HD3 LYS 40 OK 13 100 - 13 - 3733/2.9=1 HE2 LYS 20 - HD3 LYS 40 OK 13 100 - 13 - 3733/2.9=1 HE2 LYS 43 - HD2 LYS 40 OK 11 81 - 14 - 3696/2.9=1 HE2 LYS 43 - HD3 LYS 40 OK 11 80 - 14 - 3696/2.9=1 HE3 LYS 73 - HD2 LYS 40 lone 7 90 - 8 - HE3 LYS 73 - HD3 LYS 40 lone 7 89 - 8 - HE2 LYS 73 - HD2 LYS 40 lone 6 73 - 8 - HE2 LYS 73 - HD3 LYS 40 lone 6 73 - 9 - HE2 LYS 39 - HD2 LYS 40 lone 6 84 - 7 - HE2 LYS 39 - HD3 LYS 40 lone 6 84 - 7 - HE3 LYS 39 - HD2 LYS 40 lone 5 77 - 7 - HE3 LYS 39 - HD3 LYS 40 lone 5 77 - 7 - HE3 LYS 20 - HD2 LYS 16 lone 3 95 - 3 - HE2 LYS 20 - HD2 LYS 16 lone 3 95 - 3 - HE3 LYS 20 - HD3 LYS 16 lone 3 88 - 3 - HE2 LYS 20 - HD3 LYS 16 lone 3 88 - 3 - HE3 LYS 73 - HD2 LYS 16 lone 1 81 - 2 - HE3 LYS 73 - HD3 LYS 16 lone 1 74 - 2 - HE2 LYS 73 - HD2 LYS 16 lone 1 65 - 2 - HE3 LYS 43 - HD2 LYS 16 lone 1 86 - 1 - HE2 LYS 73 - HD3 LYS 16 lone 1 59 - 2 - HE3 LYS 43 - HD3 LYS 16 lone 1 79 - 1 - HE2 LYS 43 - HD2 LYS 16 lone 1 72 - 1 - HE2 LYS 43 - HD3 LYS 16 lone 1 65 - 1 - HE2 LYS 39 - HD2 LYS 16 lone 1 75 - 1 - HE3 LYS 39 - HD2 LYS 16 lone 1 69 - 1 - HE2 LYS 39 - HD3 LYS 16 lone 1 68 - 1 - HE3 LYS 39 - HD3 LYS 16 lone 1 62 - 1 - HB3 ASN 24 - HD2 LYS 40 lone 0 100 - 0 - HB2 ASN 24 - HD2 LYS 40 lone 0 100 - 0 - HB3 ASN 24 - HD3 LYS 40 lone 0 100 - 0 - HB2 ASN 24 - HD3 LYS 40 lone 0 100 - 0 - HE3 LYS 106 - HD2 LYS 40 lone 0 84 - 1 - HE3 LYS 106 - HD3 LYS 40 lone 0 84 - 1 - HE2 LYS 106 - HD2 LYS 40 lone 0 81 - 1 - HE2 LYS 106 - HD3 LYS 40 lone 0 80 - 1 - HD3 ARG 118 - HD2 LYS 40 lone 0 99 - 0 - HD3 ARG 118 - HD3 LYS 40 lone 0 99 - 0 - HB3 PHE 51 - HD2 LYS 40 lone 0 100 - 0 - HB3 PHE 51 - HD3 LYS 40 lone 0 100 - 0 - HE3 LYS 106 - HD2 LYS 16 lone 0 75 - 0 - HE2 LYS 106 - HD2 LYS 16 lone 0 72 - 0 - HE3 LYS 106 - HD3 LYS 16 lone 0 68 - 0 - HD3 ARG 118 - HD2 LYS 16 lone 0 92 - 0 - HE2 LYS 106 - HD3 LYS 16 lone 0 65 - 0 - HB3 ASN 24 - HD2 LYS 16 lone 0 95 - 0 - HB2 ASN 24 - HD2 LYS 16 lone 0 95 - 0 - HB3 PHE 51 - HD2 LYS 16 lone 0 95 - 0 - HD3 ARG 118 - HD3 LYS 16 lone 0 86 - 0 - HB3 ASN 24 - HD3 LYS 16 lone 0 88 - 0 - HB2 ASN 24 - HD3 LYS 16 lone 0 88 - 0 - HB3 PHE 51 - HD3 LYS 16 lone 0 88 - 0 - Peak 3709 from cnoeabs.peaks (4.02, 1.68, 29.33 ppm; 3.34 A): 2 out of 48 assignments used, quality = 0.98: * HA LYS 40 + HD3 LYS 40 OK 84 100 - 84 - 5.3=25, 3689/2.9=19...(32) HA LYS 40 + HD2 LYS 40 OK 84 100 - 84 - 5.3=25, 3689/2.9=19...(32) HA LYS 40 - HD2 LYS 16 OK 45 93 - 48 - 11425/2.9=6, 11424/2.9=6...(24) HA LYS 40 - HD3 LYS 16 OK 41 85 - 48 - 11425/2.9=6, 11424/2.9=6...(24) HA GLU 13 - HD2 LYS 16 OK 15 92 - 16 - 11425/2.9=3, 11424/2.9=3...(8) HA GLU 13 - HD3 LYS 16 OK 13 84 - 16 - 11425/2.9=3, 11424/2.9=3...(8) HB2 SER 126 - HD2 LYS 16 OK 10 93 - 11 - 11425/2.9=2, 11424/2.9=2...(6) HB2 SER 126 - HD3 LYS 16 poor 9 85 - 11 - 11425/2.9=2, 11424/2.9=2...(6) HA LYS 123 - HD2 LYS 16 lone 9 92 - 10 - 11425/2.9=1, 11424/2.9=1 HB3 SER 126 - HD2 LYS 16 poor 9 86 - 11 - 11425/2.9=2, 11424/2.9=2...(6) HB3 SER 126 - HD3 LYS 16 poor 8 78 - 11 - 11425/2.9=2, 11424/2.9=2...(6) HA LYS 123 - HD3 LYS 16 lone 8 84 - 9 - 11425/2.9=1, 11424/2.9=1 HA3 GLY 75 - HD2 LYS 16 lone 6 82 - 8 - 11425/2.9=1, 11424/2.9=1 HA3 GLY 75 - HD3 LYS 16 lone 6 73 - 8 - 11425/2.9=1, 11424/2.9=1 HA GLU 119 - HD2 LYS 16 lone 5 91 - 5 - 11425/2.9=1, 11424/2.9=1 HA GLU 119 - HD3 LYS 16 lone 4 82 - 5 - 11425/2.9=1, 11424/2.9=1 HA GLU 119 - HD3 LYS 40 lone 4 99 - 4 - HA GLU 119 - HD2 LYS 40 lone 4 99 - 4 - HA LYS 123 - HD3 LYS 40 lone 3 100 - 3 - HA LYS 123 - HD2 LYS 40 lone 3 100 - 3 - HA GLU 66 - HD2 LYS 16 lone 3 92 - 3 - HA GLU 13 - HD2 LYS 40 lone 3 99 - 3 - HA GLU 13 - HD3 LYS 40 lone 3 99 - 3 - HA PHE 120 - HD2 LYS 16 lone 3 93 - 3 - HA GLU 66 - HD3 LYS 16 lone 3 84 - 3 - HA PHE 120 - HD3 LYS 16 lone 3 85 - 3 - HB2 SER 126 - HD2 LYS 40 lone 2 100 - 2 - HB2 SER 126 - HD3 LYS 40 lone 2 100 - 2 - HA GLU 92 - HD2 LYS 16 lone 2 82 - 2 - HB3 SER 126 - HD3 LYS 40 lone 2 96 - 2 - HB3 SER 126 - HD2 LYS 40 lone 2 95 - 2 - HA GLU 92 - HD3 LYS 16 lone 2 73 - 2 - HA PHE 120 - HD2 LYS 40 lone 2 100 - 2 - HA PHE 120 - HD3 LYS 40 lone 2 100 - 2 - HA GLU 66 - HD3 LYS 40 lone 1 99 - 1 - HA GLU 66 - HD2 LYS 40 lone 1 99 - 1 - HA GLU 92 - HD3 LYS 40 lone 1 92 - 1 - HA GLU 92 - HD2 LYS 40 lone 1 92 - 1 - HA3 GLY 75 - HD3 LYS 40 lone 1 92 - 1 - HA3 GLY 75 - HD2 LYS 40 lone 1 92 - 1 - HA GLU 87 - HD2 LYS 16 lone 1 73 - 1 - HA GLU 87 - HD3 LYS 16 lone 1 65 - 1 - HA GLU 87 - HD3 LYS 40 lone 0 84 - 1 - HA GLU 87 - HD2 LYS 40 lone 0 84 - 1 - HA3 GLY 101 - HD2 LYS 16 lone 0 73 - 1 - HA3 GLY 101 - HD3 LYS 40 lone 0 84 - 0 - HA3 GLY 101 - HD2 LYS 40 lone 0 84 - 0 - HA3 GLY 101 - HD3 LYS 16 lone 0 65 - 1 - Peak 3710 from cnoeabs.peaks (1.99, 1.68, 29.33 ppm; 2.84 A): 2 out of 24 assignments used, quality = 0.98: * HB2 LYS 40 + HD3 LYS 40 OK 87 100 - 87 - 3.6=50, 1.8/3711=8...(45) HB2 LYS 40 + HD2 LYS 40 OK 87 100 - 87 - 3.6=50, 1.8/3711=8...(45) HB2 LYS 40 - HD2 LYS 16 OK 41 93 - 45 - 3665=4, 1.8/3701=4...(17) HB2 LYS 40 - HD3 LYS 16 OK 38 85 - 45 - 3664=4, 1.8/3701=3...(19) HB3 LYS 96 - HD3 LYS 40 poor 8 61 - 13 - 3.0/6077=1, 1251/6.2=1 HB3 LYS 96 - HD2 LYS 40 poor 8 61 - 13 - 3.0/6077=1, 1251/6.2=1 HB2 LYS 17 - HD2 LYS 16 lone 7 92 - 8 - 4.0/7370=2, 3.0/2816=2, ~2816=1 HB2 LYS 17 - HD3 LYS 16 lone 7 84 - 8 - 4.0/7370=2, 3.0/2816=2, ~2816=1 HB2 LYS 17 - HD2 LYS 40 lone 3 100 - 3 - 4.0/7370=1 HB2 LYS 17 - HD3 LYS 40 lone 3 100 - 3 - HB3 LYS 96 - HD2 LYS 16 lone 2 52 - 4 - HB3 LYS 96 - HD3 LYS 16 lone 2 46 - 4 - HB3 GLU 103 - HD3 LYS 40 lone 1 100 - 1 - HB3 GLU 103 - HD2 LYS 40 lone 1 100 - 1 - HB VAL 22 - HD3 LYS 40 lone 0 98 - 0 - HB VAL 22 - HD2 LYS 40 lone 0 98 - 0 - HB3 GLU 103 - HD2 LYS 16 lone 0 92 - 0 - HB VAL 22 - HD2 LYS 16 lone 0 89 - 0 - HB3 GLU 103 - HD3 LYS 16 lone 0 84 - 0 - HB VAL 22 - HD3 LYS 16 lone 0 81 - 0 - HB3 GLU 21 - HD3 LYS 40 lone 0 70 - 0 - HB3 GLU 21 - HD2 LYS 40 lone 0 69 - 0 - HB3 GLU 21 - HD2 LYS 16 lone 0 60 - 0 - HB3 GLU 21 - HD3 LYS 16 lone 0 53 - 0 - Peak 3711 from cnoeabs.peaks (1.95, 1.68, 29.33 ppm; 2.69 A): 2 out of 68 assignments used, quality = 0.97: * HB3 LYS 40 + HD3 LYS 40 OK 82 100 - 81 - 3.6=42, 1.8/3710=9...(44) HB3 LYS 40 + HD2 LYS 40 OK 81 100 - 81 - 3.6=42, 1.8/3710=9...(44) HB3 LYS 40 - HD2 LYS 16 OK 35 93 - 38 - 1.8/3700=4, 3675=3...(15) HB3 LYS 40 - HD3 LYS 16 OK 32 85 - 38 - 1.8/3700=4, 3675=3...(15) HB3 LYS 39 - HD3 LYS 40 lone 10 100 - 10 - 7474/6.2=2 HB3 LYS 39 - HD2 LYS 40 lone 10 100 - 10 - 7474/6.2=2 HB2 LYS 39 - HD3 LYS 40 lone 8 90 - 9 - 4.3/1256=2 HB2 LYS 39 - HD2 LYS 40 lone 8 89 - 9 - 4.3/1256=2 HB3 GLU 41 - HD2 LYS 40 lone 5 99 - 5 - 4.0/7487=2 HB3 GLU 41 - HD3 LYS 40 lone 5 99 - 5 - 4.0/7487=2 HB2 GLU 41 - HD3 LYS 40 lone 5 99 - 5 - 4.0/7487=2 HB2 GLU 41 - HD2 LYS 40 lone 5 99 - 5 - 4.0/7487=2 HB3 LYS 39 - HD2 LYS 16 lone 4 92 - 5 - HB3 LYS 39 - HD3 LYS 16 lone 4 84 - 4 - HB2 LYS 39 - HD2 LYS 16 lone 3 79 - 4 - HB2 LYS 123 - HD2 LYS 16 lone 3 79 - 4 - HB2 LYS 39 - HD3 LYS 16 lone 3 71 - 4 - HB3 LYS 115 - HD2 LYS 16 lone 3 79 - 3 - HB2 LYS 123 - HD3 LYS 16 lone 2 71 - 3 - HB2 LYS 65 - HD2 LYS 16 lone 2 79 - 3 - HB3 LYS 115 - HD3 LYS 16 lone 2 71 - 3 - HB3 LYS 65 - HD2 LYS 16 lone 2 76 - 3 - HB2 LYS 65 - HD3 LYS 16 lone 2 71 - 3 - HB2 LYS 115 - HD2 LYS 16 lone 2 60 - 3 - HB3 LYS 65 - HD3 LYS 16 lone 2 68 - 3 - HB3 GLU 41 - HD2 LYS 16 lone 2 92 - 2 - HB2 GLU 41 - HD2 LYS 16 lone 2 91 - 2 - HB2 LYS 115 - HD3 LYS 16 lone 2 53 - 3 - HB3 MET 42 - HD3 LYS 40 lone 2 99 - 2 - HB3 MET 42 - HD2 LYS 40 lone 2 99 - 2 - HB3 GLU 41 - HD3 LYS 16 lone 2 84 - 2 - HB2 GLU 41 - HD3 LYS 16 lone 2 82 - 2 - HB2 LYS 123 - HD3 LYS 40 lone 1 90 - 2 - HB2 LYS 123 - HD2 LYS 40 lone 1 89 - 2 - HB3 MET 42 - HD2 LYS 16 lone 1 91 - 1 - HB3 MET 42 - HD3 LYS 16 lone 1 82 - 1 - HB3 LYS 115 - HD3 LYS 40 lone 1 90 - 1 - HB3 LYS 115 - HD2 LYS 40 lone 1 89 - 1 - HB2 LYS 65 - HD3 LYS 40 lone 1 90 - 1 - HB2 LYS 65 - HD2 LYS 40 lone 1 89 - 1 - HB3 LYS 65 - HD3 LYS 40 lone 1 87 - 1 - HB3 LYS 65 - HD2 LYS 40 lone 1 87 - 1 - HB2 LYS 115 - HD3 LYS 40 lone 1 70 - 1 - HB2 LYS 115 - HD2 LYS 40 lone 1 69 - 1 - HB2 LEU 70 - HD2 LYS 16 lone 0 92 - 0 - HB VAL 104 - HD3 LYS 40 lone 0 100 - 0 - HB VAL 104 - HD2 LYS 40 lone 0 100 - 0 - HB2 LEU 70 - HD2 LYS 40 lone 0 100 - 0 - HB2 LEU 70 - HD3 LYS 40 lone 0 100 - 0 - HB VAL 29 - HD3 LYS 40 lone 0 96 - 0 - HB VAL 29 - HD2 LYS 40 lone 0 95 - 0 - HB2 LEU 127 - HD3 LYS 40 lone 0 87 - 0 - HB2 LEU 127 - HD2 LYS 40 lone 0 87 - 0 - HB2 LEU 70 - HD3 LYS 16 lone 0 84 - 0 - HB VAL 104 - HD2 LYS 16 lone 0 93 - 0 - HB3 GLU 128 - HD2 LYS 40 lone 0 94 - 0 - HB3 GLU 128 - HD3 LYS 40 lone 0 94 - 0 - HB VAL 104 - HD3 LYS 16 lone 0 85 - 0 - HB VAL 29 - HD2 LYS 16 lone 0 86 - 0 - HB VAL 29 - HD3 LYS 16 lone 0 78 - 0 - HB3 GLU 52 - HD3 LYS 40 lone 0 97 - 0 - HB3 GLU 52 - HD2 LYS 40 lone 0 97 - 0 - HB2 LEU 127 - HD2 LYS 16 lone 0 76 - 0 - HB3 GLU 52 - HD2 LYS 16 lone 0 88 - 0 - HB2 LEU 127 - HD3 LYS 16 lone 0 68 - 0 - HB3 GLU 128 - HD2 LYS 16 lone 0 84 - 0 - HB3 GLU 52 - HD3 LYS 16 lone 0 80 - 0 - HB3 GLU 128 - HD3 LYS 16 lone 0 76 - 0 - Peak 3712 from cnoeabs.peaks (1.38, 1.68, 29.33 ppm; 2.61 A): 4 out of 28 assignments used, quality = 1.00: * HG2 LYS 40 + HD3 LYS 40 OK 89 100 - 89 - 2.9=70, 1.8/3695=9...(28) HG2 LYS 40 + HD2 LYS 40 OK 89 100 - 89 - 2.9=70, 1.8/3695=9...(28) HG3 LYS 16 + HD2 LYS 16 OK 52 60 - 87 - 2.9=70, 1.8/2756=10...(25) HG3 LYS 16 + HD3 LYS 16 OK 46 53 - 87 - 2.9=70, 1.8/2756=10...(25) HG2 LYS 40 - HD2 LYS 16 OK 32 93 - 35 - 1.8/3695=3, 2.7/3700=3...(16) HG2 LYS 40 - HD3 LYS 16 OK 30 85 - 35 - 1.8/3694=3, 3684=3...(16) HG3 LYS 16 - HD3 LYS 40 OK 17 70 - 25 - 1.8/2756=3, 2766=2...(7) HG3 LYS 16 - HD2 LYS 40 OK 17 69 - 25 - 1.8/2756=3, 2766=2...(7) HG3 LYS 43 - HD3 LYS 40 OK 12 94 - 12 - 3652/5.3=1, 1.8/3846=1 HG3 LYS 43 - HD2 LYS 40 OK 11 94 - 12 - 3652/5.3=1, 1.8/3846=1 HG3 LYS 43 - HD2 LYS 16 lone 1 84 - 1 - HG3 LYS 43 - HD3 LYS 16 lone 1 76 - 1 - HG LEU 14 - HD2 LYS 16 lone 1 93 - 1 - HG LEU 14 - HD3 LYS 16 lone 1 85 - 1 - HB3 LEU 114 - HD2 LYS 16 lone 1 56 - 1 - HB3 LEU 114 - HD3 LYS 16 lone 1 49 - 1 - HG2 LYS 94 - HD3 LYS 40 lone 1 92 - 1 - HG2 LYS 94 - HD2 LYS 40 lone 1 92 - 1 - HB3 LEU 68 - HD2 LYS 16 lone 1 93 - 1 - HB3 LEU 68 - HD3 LYS 16 lone 0 85 - 1 - HB3 LEU 68 - HD2 LYS 40 lone 0 100 - 0 - HB3 LEU 68 - HD3 LYS 40 lone 0 100 - 0 - HG LEU 14 - HD2 LYS 40 lone 0 100 - 0 - HG LEU 14 - HD3 LYS 40 lone 0 100 - 0 - HG2 LYS 94 - HD2 LYS 16 lone 0 82 - 0 - HG2 LYS 94 - HD3 LYS 16 lone 0 73 - 0 - HB3 LEU 114 - HD2 LYS 40 lone 0 65 - 0 - HB3 LEU 114 - HD3 LYS 40 lone 0 65 - 0 - Peak 3713 from cnoeabs.peaks (1.62, 1.68, 29.33 ppm; 2.40 A): 4 out of 40 assignments used, quality = 1.00: * HG3 LYS 40 + HD3 LYS 40 OK 81 100 - 81 - 2.9=55, 3695/1.8=8...(29) HG3 LYS 40 + HD2 LYS 40 OK 81 100 - 81 - 2.9=55, 3695/1.8=8...(29) HG2 LYS 16 + HD2 LYS 16 OK 70 88 - 80 - 2.9=55, 2757/1.8=8...(21) HG2 LYS 16 + HD3 LYS 16 OK 64 80 - 80 - 2.9=55, 2756/1.8=8...(21) HG3 LYS 40 - HD2 LYS 16 OK 32 93 - 34 - 3695=5, 3694/1.8=3...(7) HG3 LYS 40 - HD3 LYS 16 OK 29 85 - 34 - 3694=5, 3695/1.8=3...(11) HG2 LYS 16 - HD3 LYS 40 OK 23 97 - 24 - 2756=4, 2756/1.8=3...(6) HG2 LYS 16 - HD2 LYS 40 OK 23 97 - 24 - 2756=4, 2756/1.8=3...(6) HB2 LEU 82 - HD2 LYS 16 lone 1 93 - 1 - HB2 LEU 82 - HD3 LYS 16 lone 1 85 - 1 - HB3 LEU 64 - HD2 LYS 16 lone 1 84 - 1 - HB3 LEU 64 - HD3 LYS 16 lone 0 76 - 1 - HD3 LYS 77 - HD2 LYS 16 lone 0 92 - 0 - HD2 LYS 77 - HD2 LYS 16 lone 0 92 - 0 - HG LEU 63 - HD2 LYS 40 lone 0 100 - 0 - HG LEU 63 - HD3 LYS 40 lone 0 100 - 0 - HB ILE 116 - HD2 LYS 16 lone 0 82 - 1 - HG LEU 63 - HD2 LYS 16 lone 0 93 - 0 - HD3 LYS 77 - HD3 LYS 16 lone 0 84 - 0 - HD2 LYS 77 - HD3 LYS 16 lone 0 84 - 0 - HG LEU 63 - HD3 LYS 16 lone 0 85 - 0 - HB ILE 116 - HD3 LYS 16 lone 0 73 - 1 - HB3 LEU 127 - HD3 LYS 40 lone 0 97 - 0 - HB3 LEU 127 - HD2 LYS 40 lone 0 97 - 0 - HB2 LEU 82 - HD2 LYS 40 lone 0 100 - 0 - HB2 LEU 82 - HD3 LYS 40 lone 0 100 - 0 - HD3 LYS 77 - HD3 LYS 40 lone 0 100 - 0 - HD3 LYS 77 - HD2 LYS 40 lone 0 100 - 0 - HD2 LYS 77 - HD3 LYS 40 lone 0 99 - 0 - HD2 LYS 77 - HD2 LYS 40 lone 0 99 - 0 - HB3 LEU 64 - HD2 LYS 40 lone 0 94 - 0 - HB3 LEU 64 - HD3 LYS 40 lone 0 94 - 0 - HB3 LEU 127 - HD2 LYS 16 lone 0 88 - 0 - HB ILE 116 - HD3 LYS 40 lone 0 92 - 0 - HB ILE 116 - HD2 LYS 40 lone 0 92 - 0 - HB3 LEU 127 - HD3 LYS 16 lone 0 80 - 0 - HG LEU 90 - HD3 LYS 40 lone 0 61 - 0 - HG LEU 90 - HD2 LYS 40 lone 0 61 - 0 - HG LEU 90 - HD2 LYS 16 lone 0 52 - 0 - HG LEU 90 - HD3 LYS 16 lone 0 46 - 0 - Peak 3714 from cnoeabs.peaks (1.68, 1.68, 29.33 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD3 LYS 40 + HD3 LYS 40 OK 100 100 - 100 HD2 LYS 40 + HD2 LYS 40 OK 100 100 - 100 HD2 LYS 16 + HD2 LYS 16 OK 92 92 - 100 HD3 LYS 16 + HD3 LYS 16 OK 80 80 - 100 Reference assignment not found: HD2 LYS 40 - HD3 LYS 40 Peak 3715 from cnoeabs.peaks (1.68, 1.68, 29.33 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD3 LYS 40 + HD3 LYS 40 OK 100 100 - 100 HD2 LYS 40 + HD2 LYS 40 OK 100 100 - 100 HD2 LYS 16 + HD2 LYS 16 OK 91 91 - 100 HD3 LYS 16 + HD3 LYS 16 OK 78 78 - 100 Peak 3716 from cnoeabs.peaks (2.97, 1.68, 29.33 ppm; 2.64 A): 4 out of 64 assignments used, quality = 1.00: HE3 LYS 40 + HD3 LYS 40 OK 83 100 - 83 - 3.0=70, 3733/2.9=5...(20) HE3 LYS 40 + HD2 LYS 40 OK 83 100 - 83 - 3.0=70, 3733/2.9=5...(20) * HE2 LYS 40 + HD3 LYS 40 OK 83 100 - 83 - 3.0=70, 3733/2.9=5...(19) HE2 LYS 40 + HD2 LYS 40 OK 83 100 - 83 - 3.0=70, 3733/2.9=5...(19) HE2 LYS 40 - HD2 LYS 16 OK 15 93 - 17 - 3.9/3695=1, 3733/2.9=1...(4) HE3 LYS 40 - HD2 LYS 16 OK 15 93 - 16 - 3.9/3695=1, 3.9/3702=1 HE2 LYS 40 - HD3 LYS 16 OK 14 85 - 16 - 3.9/3694=1, 3733/2.9=1 HE3 LYS 40 - HD3 LYS 16 OK 13 85 - 16 - 3.9/3694=1 HE3 LYS 43 - HD3 LYS 40 OK 13 97 - 14 - 3696/2.9=1 HE3 LYS 43 - HD2 LYS 40 OK 13 97 - 14 - 3696/2.9=1 HE3 LYS 20 - HD2 LYS 40 OK 13 99 - 13 - 3733/2.9=1 HE2 LYS 20 - HD2 LYS 40 OK 13 99 - 13 - 3733/2.9=1 HE3 LYS 20 - HD3 LYS 40 OK 12 99 - 13 - 3733/2.9=1 HE2 LYS 20 - HD3 LYS 40 OK 12 99 - 13 - 3733/2.9=1 HE2 LYS 43 - HD3 LYS 40 OK 12 87 - 14 - 3696/2.9=1 HE2 LYS 43 - HD2 LYS 40 OK 12 87 - 14 - 3696/2.9=1 HE3 LYS 73 - HD3 LYS 40 lone 7 94 - 8 - HE3 LYS 73 - HD2 LYS 40 lone 7 94 - 8 - HE2 LYS 73 - HD3 LYS 40 lone 7 81 - 9 - HE2 LYS 73 - HD2 LYS 40 lone 7 80 - 9 - HE2 LYS 39 - HD3 LYS 40 lone 6 90 - 7 - HE2 LYS 39 - HD2 LYS 40 lone 6 89 - 7 - HE3 LYS 39 - HD3 LYS 40 lone 6 84 - 7 - HE3 LYS 39 - HD2 LYS 40 lone 6 84 - 7 - HE3 LYS 20 - HD2 LYS 16 lone 3 92 - 3 - HE2 LYS 20 - HD2 LYS 16 lone 3 92 - 3 - HE2 LYS 20 - HD3 LYS 16 lone 2 84 - 3 - HE3 LYS 20 - HD3 LYS 16 lone 2 84 - 3 - HE3 LYS 73 - HD2 LYS 16 lone 2 84 - 2 - HE2 LYS 73 - HD2 LYS 16 lone 1 70 - 2 - HE3 LYS 73 - HD3 LYS 16 lone 1 76 - 2 - HE2 LYS 73 - HD3 LYS 16 lone 1 62 - 2 - HE3 LYS 43 - HD2 LYS 16 lone 1 88 - 1 - HE2 LYS 43 - HD2 LYS 16 lone 1 76 - 1 - HE3 LYS 43 - HD3 LYS 16 lone 1 80 - 1 - HE2 LYS 43 - HD3 LYS 16 lone 1 68 - 1 - HE2 LYS 39 - HD2 LYS 16 lone 1 79 - 1 - HE3 LYS 39 - HD2 LYS 16 lone 1 73 - 1 - HE2 LYS 39 - HD3 LYS 16 lone 1 71 - 1 - HE3 LYS 39 - HD3 LYS 16 lone 1 65 - 1 - HB3 ASN 24 - HD3 LYS 40 lone 0 100 - 0 - HB2 ASN 24 - HD3 LYS 40 lone 0 100 - 0 - HB2 ASN 24 - HD2 LYS 40 lone 0 100 - 0 - HB3 ASN 24 - HD2 LYS 40 lone 0 100 - 0 - HE3 LYS 106 - HD3 LYS 40 lone 0 77 - 1 - HE3 LYS 106 - HD2 LYS 40 lone 0 77 - 1 - HE2 LYS 106 - HD3 LYS 40 lone 0 73 - 1 - HE2 LYS 106 - HD2 LYS 40 lone 0 73 - 1 - HD3 ARG 118 - HD3 LYS 40 lone 0 100 - 0 - HD3 ARG 118 - HD2 LYS 40 lone 0 100 - 0 - HB3 PHE 51 - HD3 LYS 40 lone 0 100 - 0 - HB3 PHE 51 - HD2 LYS 40 lone 0 100 - 0 - HE3 LYS 106 - HD2 LYS 16 lone 0 67 - 0 - HD3 ARG 118 - HD2 LYS 16 lone 0 92 - 0 - HB3 ASN 24 - HD2 LYS 16 lone 0 93 - 0 - HB2 ASN 24 - HD2 LYS 16 lone 0 93 - 0 - HE2 LYS 106 - HD2 LYS 16 lone 0 63 - 0 - HB3 PHE 51 - HD2 LYS 16 lone 0 93 - 0 - HD3 ARG 118 - HD3 LYS 16 lone 0 84 - 0 - HE3 LYS 106 - HD3 LYS 16 lone 0 59 - 0 - HB3 ASN 24 - HD3 LYS 16 lone 0 85 - 0 - HB2 ASN 24 - HD3 LYS 16 lone 0 85 - 0 - HB3 PHE 51 - HD3 LYS 16 lone 0 85 - 0 - HE2 LYS 106 - HD3 LYS 16 lone 0 56 - 0 - Peak 3717 from cnoeabs.peaks (2.97, 1.68, 29.33 ppm; 2.64 A): 4 out of 64 assignments used, quality = 1.00: * HE3 LYS 40 + HD3 LYS 40 OK 83 100 - 83 - 3.0=70, 3733/2.9=5...(20) HE3 LYS 40 + HD2 LYS 40 OK 83 100 - 83 - 3.0=70, 3733/2.9=5...(20) HE2 LYS 40 + HD3 LYS 40 OK 83 100 - 83 - 3.0=70, 3733/2.9=5...(19) HE2 LYS 40 + HD2 LYS 40 OK 83 100 - 83 - 3.0=70, 3733/2.9=5...(19) HE2 LYS 40 - HD2 LYS 16 OK 15 93 - 17 - 3.9/3695=1, 3733/2.9=1...(4) HE3 LYS 40 - HD2 LYS 16 OK 15 93 - 17 - 3.9/3695=1, 3.9/3702=1 HE2 LYS 40 - HD3 LYS 16 OK 14 85 - 16 - 3.9/3694=1, 3733/2.9=1 HE3 LYS 40 - HD3 LYS 16 OK 14 85 - 16 - 3.9/3694=1 HE3 LYS 43 - HD3 LYS 40 OK 13 94 - 14 - 3723/2.9=1 HE3 LYS 43 - HD2 LYS 40 OK 13 94 - 14 - 3723/2.9=1 HE3 LYS 20 - HD2 LYS 40 OK 13 100 - 13 - 3733/2.9=1 HE2 LYS 20 - HD2 LYS 40 OK 13 100 - 13 - 3733/2.9=1 HE3 LYS 20 - HD3 LYS 40 OK 13 100 - 13 - 3733/2.9=1 HE2 LYS 20 - HD3 LYS 40 OK 13 100 - 13 - 3733/2.9=1 HE2 LYS 43 - HD3 LYS 40 OK 11 81 - 14 - 3696/2.9=1 HE2 LYS 43 - HD2 LYS 40 OK 11 80 - 14 - 3696/2.9=1 HE3 LYS 73 - HD3 LYS 40 lone 7 90 - 8 - HE3 LYS 73 - HD2 LYS 40 lone 7 89 - 8 - HE2 LYS 73 - HD3 LYS 40 lone 6 73 - 8 - HE2 LYS 73 - HD2 LYS 40 lone 6 73 - 8 - HE2 LYS 39 - HD3 LYS 40 lone 6 84 - 7 - HE2 LYS 39 - HD2 LYS 40 lone 6 84 - 7 - HE3 LYS 39 - HD3 LYS 40 lone 5 77 - 7 - HE3 LYS 39 - HD2 LYS 40 lone 5 77 - 7 - HE3 LYS 20 - HD2 LYS 16 lone 3 93 - 3 - HE2 LYS 20 - HD2 LYS 16 lone 3 93 - 3 - HE2 LYS 20 - HD3 LYS 16 lone 2 85 - 3 - HE3 LYS 20 - HD3 LYS 16 lone 2 85 - 3 - HE3 LYS 73 - HD2 LYS 16 lone 1 79 - 2 - HE3 LYS 73 - HD3 LYS 16 lone 1 71 - 2 - HE2 LYS 73 - HD2 LYS 16 lone 1 63 - 2 - HE3 LYS 43 - HD2 LYS 16 lone 1 84 - 1 - HE2 LYS 73 - HD3 LYS 16 lone 1 56 - 2 - HE3 LYS 43 - HD3 LYS 16 lone 1 76 - 1 - HE2 LYS 43 - HD2 LYS 16 lone 1 70 - 1 - HE2 LYS 43 - HD3 LYS 16 lone 1 62 - 1 - HE2 LYS 39 - HD2 LYS 16 lone 1 73 - 1 - HE3 LYS 39 - HD2 LYS 16 lone 1 67 - 1 - HE2 LYS 39 - HD3 LYS 16 lone 1 65 - 1 - HE3 LYS 39 - HD3 LYS 16 lone 0 59 - 1 - HB3 ASN 24 - HD3 LYS 40 lone 0 100 - 0 - HB2 ASN 24 - HD3 LYS 40 lone 0 100 - 0 - HB3 ASN 24 - HD2 LYS 40 lone 0 100 - 0 - HB2 ASN 24 - HD2 LYS 40 lone 0 100 - 0 - HE3 LYS 106 - HD3 LYS 40 lone 0 84 - 1 - HE3 LYS 106 - HD2 LYS 40 lone 0 84 - 1 - HE2 LYS 106 - HD3 LYS 40 lone 0 81 - 1 - HE2 LYS 106 - HD2 LYS 40 lone 0 80 - 1 - HD3 ARG 118 - HD3 LYS 40 lone 0 99 - 0 - HD3 ARG 118 - HD2 LYS 40 lone 0 99 - 0 - HB3 PHE 51 - HD3 LYS 40 lone 0 100 - 0 - HB3 PHE 51 - HD2 LYS 40 lone 0 100 - 0 - HE3 LYS 106 - HD2 LYS 16 lone 0 73 - 0 - HE2 LYS 106 - HD2 LYS 16 lone 0 70 - 0 - HE3 LYS 106 - HD3 LYS 16 lone 0 65 - 0 - HD3 ARG 118 - HD2 LYS 16 lone 0 91 - 0 - HB3 ASN 24 - HD2 LYS 16 lone 0 93 - 0 - HB2 ASN 24 - HD2 LYS 16 lone 0 93 - 0 - HE2 LYS 106 - HD3 LYS 16 lone 0 62 - 0 - HB3 PHE 51 - HD2 LYS 16 lone 0 93 - 0 - HD3 ARG 118 - HD3 LYS 16 lone 0 82 - 0 - HB3 ASN 24 - HD3 LYS 16 lone 0 85 - 0 - HB2 ASN 24 - HD3 LYS 16 lone 0 85 - 0 - HB3 PHE 51 - HD3 LYS 16 lone 0 85 - 0 - Peak 3718 from cnoeabs.peaks (7.78, 2.97, 41.78 ppm; 6.20 A): 6 out of 20 assignments used, quality = 1.00: * H LYS 40 + HE2 LYS 40 OK 95 100 - 95 - 7.5=57, 1251/5.0=35...(17) H LYS 40 + HE3 LYS 40 OK 95 100 - 95 - 7.5=57, 1251/5.0=35...(17) H LYS 40 + HE2 LYS 39 OK 65 78 - 83 - 7475/3.6=26, 7476/3.6=23...(17) H LYS 40 + HE3 LYS 39 OK 56 68 - 83 - 7475/3.6=26, 7476/3.6=23...(16) H LYS 96 + HE2 LYS 40 OK 50 97 - 52 - 3688/3.9=14, 3658/5.0=14...(8) H LYS 96 + HE3 LYS 40 OK 50 96 - 52 - 3688/3.9=14, 3658/5.0=14...(8) H LYS 40 - HE3 LYS 43 OK 42 93 - 46 - 1253/3.9=8, 4.0/3666=4...(17) H LYS 96 - HE2 LYS 39 OK 39 72 - 54 - 7475/3.6=16, 7476/3.6=15...(10) H LYS 96 - HE3 LYS 39 OK 34 63 - 54 - 7475/3.6=16, 7476/3.6=15...(10) H LYS 40 - HE2 LYS 43 OK 33 73 - 45 - 1253/3.9=8, 4.0/3666=4...(17) H LYS 40 - HE3 LYS 20 OK 29 99 - 30 - 4.0/3667=4, 4.8/3697=4...(13) H LYS 40 - HE2 LYS 20 OK 29 99 - 30 - 4.0/3667=4, 4.8/3697=4...(13) H LYS 40 - HE3 LYS 73 OK 19 87 - 22 - 4.0/3666=3, 4.8/3696=2...(9) H LYS 96 - HE3 LYS 20 OK 18 94 - 19 - 607/4.8=2, 607/4.8=2...(10) H LYS 96 - HE2 LYS 20 OK 18 94 - 19 - 607/4.8=2, 607/4.8=2...(10) H LYS 96 - HE3 LYS 43 OK 17 88 - 19 - 3678/3.9=2, 608/3.0=2...(9) H LYS 96 - HE3 LYS 73 OK 14 81 - 17 - 608/2.9=2, 608/2.9=2...(8) H LYS 40 - HE2 LYS 73 OK 14 63 - 21 - 4.0/3666=2, 4.8/3696=2...(9) H LYS 96 - HE2 LYS 43 OK 12 68 - 18 - 3678/3.9=2, 608/3.0=2...(9) H LYS 96 - HE2 LYS 73 poor 9 58 - 16 - 608/2.9=2, 608/2.9=2...(8) Peak 3720 from cnoeabs.peaks (1.99, 2.97, 41.78 ppm; 3.67 A): 2 out of 60 assignments used, quality = 0.99: HB2 LYS 40 + HE3 LYS 40 OK 90 100 - 90 - 5.0=40, 3710/3.0=10...(52) * HB2 LYS 40 + HE2 LYS 40 OK 90 100 - 90 - 5.0=40, 3710/3.0=10...(52) HB2 LYS 40 - HE3 LYS 43 OK 35 93 - 38 - 2.7/3696=3, 3666=3...(20) HB2 LYS 40 - HE2 LYS 20 OK 30 99 - 31 - 2.7/3697=3, 3667=2...(13) HB2 LYS 40 - HE3 LYS 20 OK 30 99 - 31 - 2.7/3697=3, 3667=2...(13) HB2 LYS 40 - HE2 LYS 43 OK 28 73 - 38 - 3666/1.8=3, 2.7/3696=3...(19) HB2 LYS 40 - HE3 LYS 73 OK 20 87 - 23 - 3666=2, 2.7/3696=2...(6) HB2 LYS 40 - HE2 LYS 39 OK 16 78 - 20 - 4.0/1257=2, 3666=1...(4) HB2 LYS 40 - HE2 LYS 73 OK 15 63 - 24 - 3666/1.8=2, 2.7/3696=2...(8) HB2 LYS 40 - HE3 LYS 39 OK 14 68 - 20 - 4.0/1257=2, 3666=1...(4) HB3 LYS 96 - HE2 LYS 20 OK 10 58 - 17 - HB3 LYS 96 - HE3 LYS 20 OK 10 58 - 17 - HB3 LYS 96 - HE3 LYS 73 poor 9 47 - 19 - 6097/2.9=1, 6097/2.9=1 HB3 LYS 96 - HE3 LYS 43 poor 9 52 - 17 - HB3 LYS 96 - HE2 LYS 40 poor 8 61 - 13 - 1251/7.5=1, 3650/6.4=1 HB3 LYS 96 - HE3 LYS 40 poor 8 61 - 13 - 1251/7.5=1, 3650/6.4=1 HB3 LYS 96 - HE2 LYS 43 poor 6 38 - 17 - HB3 LYS 96 - HE2 LYS 73 poor 6 31 - 19 - 6097/2.9=1, 6097/2.9=1 HB3 LYS 96 - HE2 LYS 39 poor 5 41 - 11 - 7797/7.3=1 HB3 LYS 96 - HE3 LYS 39 poor 4 35 - 11 - 7797/7.3=1 HB2 LYS 17 - HE3 LYS 20 lone 3 98 - 3 - ~2816=1, ~11544=1 HB2 LYS 17 - HE2 LYS 20 lone 3 98 - 3 - ~2816=1, ~11544=1 HB2 LYS 17 - HE3 LYS 40 lone 2 99 - 2 - HB2 LYS 17 - HE2 LYS 40 lone 2 100 - 2 - HB3 GLU 103 - HE2 LYS 39 lone 2 77 - 2 - HB3 GLU 103 - HE3 LYS 39 lone 2 67 - 2 - HB3 GLU 103 - HE3 LYS 40 lone 1 99 - 1 - HB3 GLU 103 - HE2 LYS 40 lone 1 100 - 1 - HB2 LYS 17 - HE3 LYS 43 lone 1 92 - 1 - HB2 LYS 17 - HE3 LYS 73 lone 1 86 - 1 - HB2 LYS 17 - HE2 LYS 43 lone 1 72 - 1 - HB3 GLU 21 - HE2 LYS 40 lone 1 70 - 1 - HB3 GLU 21 - HE3 LYS 40 lone 1 69 - 1 - HB3 GLU 21 - HE3 LYS 20 lone 1 66 - 1 - HB3 GLU 21 - HE2 LYS 20 lone 1 66 - 1 - HB VAL 22 - HE2 LYS 40 lone 1 98 - 1 - HB VAL 22 - HE3 LYS 40 lone 1 98 - 1 - HB3 GLU 103 - HE3 LYS 43 lone 0 92 - 1 - HB VAL 22 - HE2 LYS 20 lone 0 96 - 1 - HB VAL 22 - HE3 LYS 20 lone 0 96 - 1 - HB2 LYS 17 - HE2 LYS 73 lone 1 62 - 1 - HB2 LYS 17 - HE2 LYS 39 lone 0 77 - 1 - HB3 GLU 103 - HE3 LYS 73 lone 0 86 - 1 - HB3 GLU 103 - HE2 LYS 20 lone 0 98 - 0 - HB3 GLU 103 - HE3 LYS 20 lone 0 98 - 0 - HB3 GLU 21 - HE3 LYS 43 lone 0 60 - 1 - HB2 LYS 17 - HE3 LYS 39 lone 0 67 - 1 - HB3 GLU 103 - HE2 LYS 43 lone 0 72 - 1 - HB VAL 22 - HE3 LYS 43 lone 0 89 - 0 - HB3 GLU 21 - HE3 LYS 73 lone 0 54 - 1 - HB VAL 22 - HE3 LYS 73 lone 0 83 - 0 - HB3 GLU 21 - HE2 LYS 39 lone 0 47 - 1 - HB3 GLU 103 - HE2 LYS 73 lone 0 62 - 1 - HB VAL 22 - HE2 LYS 39 lone 0 74 - 0 - HB3 GLU 21 - HE2 LYS 43 lone 0 44 - 1 - HB VAL 22 - HE2 LYS 43 lone 0 69 - 0 - HB3 GLU 21 - HE3 LYS 39 lone 0 40 - 1 - HB VAL 22 - HE3 LYS 39 lone 0 64 - 0 - HB VAL 22 - HE2 LYS 73 lone 0 59 - 0 - HB3 GLU 21 - HE2 LYS 73 lone 0 36 - 1 - Peak 3721 from cnoeabs.peaks (1.95, 2.97, 41.78 ppm; 3.39 A): 5 out of 170 assignments used, quality = 1.00: * HB3 LYS 40 + HE2 LYS 40 OK 84 100 - 84 - 5.0=32, 2.7/3733=8...(48) HB3 LYS 40 + HE3 LYS 40 OK 84 100 - 84 - 5.0=32, 2.7/3733=8...(48) HB3 LYS 39 + HE2 LYS 39 OK 60 77 - 78 - 5.0=31, 3611/3.0=6...(40) HB3 LYS 39 + HE3 LYS 39 OK 52 67 - 78 - 5.0=31, 3611/3.0=6...(40) HB2 LYS 39 + HE2 LYS 39 OK 49 64 - 77 - 5.0=31, 3611/3.0=5...(39) HB2 LYS 39 - HE3 LYS 39 OK 42 55 - 77 - 5.0=31, 3611/3.0=5...(39) HB3 LYS 40 - HE3 LYS 43 OK 29 93 - 32 - 2.7/3696=2, 1.8/3720=2...(14) HB3 LYS 40 - HE3 LYS 20 OK 27 99 - 28 - 2.7/3697=2, 1.8/3720=2...(13) HB3 LYS 40 - HE2 LYS 20 OK 27 99 - 28 - 2.7/3697=2, 1.8/3720=2...(13) HB3 LYS 40 - HE2 LYS 43 OK 24 73 - 33 - 2.7/3696=2, 1.8/3666=2...(16) HB3 LYS 40 - HE3 LYS 73 OK 16 87 - 18 - 2.7/3696=1, 1.8/3720=1 HB3 LYS 39 - HE2 LYS 40 OK 16 100 - 16 - 7474/7.5=2, 3586=1, 3651/6.4=1 HB3 LYS 39 - HE3 LYS 40 OK 15 99 - 15 - 7474/7.5=2, 3586/1.8=1 HB2 LYS 39 - HE2 LYS 40 OK 13 90 - 15 - 4.3/1257=2 HB2 LYS 39 - HE3 LYS 40 OK 13 89 - 15 - 4.3/1257=2 HB3 LYS 40 - HE2 LYS 39 OK 13 78 - 16 - 4.0/1257=2, 2.7/3696=1 HB3 LYS 40 - HE2 LYS 73 OK 12 63 - 20 - 2.7/3696=1, 1.8/3666=1 HB3 LYS 40 - HE3 LYS 39 OK 11 68 - 17 - 4.0/1257=2, 2.7/3696=1 HB3 LYS 39 - HE3 LYS 43 poor 9 92 - 10 - HB2 LYS 39 - HE3 LYS 43 lone 8 79 - 10 - HB3 LYS 39 - HE2 LYS 43 poor 7 72 - 10 - HB2 LYS 39 - HE2 LYS 43 lone 6 60 - 10 - HB2 LEU 70 - HE3 LYS 73 lone 6 86 - 7 - ~11077=2, 5034/6.7=2, ~11661=1 HB3 LYS 39 - HE3 LYS 73 lone 5 86 - 5 - HB3 LYS 39 - HE2 LYS 20 lone 4 98 - 4 - HB3 LYS 39 - HE3 LYS 20 lone 4 98 - 4 - HB2 LEU 70 - HE2 LYS 73 lone 4 62 - 7 - ~11077=2, 5034/6.7=2, ~11661=1 HB2 LYS 39 - HE3 LYS 73 lone 4 72 - 5 - HB2 LYS 39 - HE3 LYS 20 lone 4 86 - 4 - HB2 LYS 39 - HE2 LYS 20 lone 4 86 - 4 - HB3 LYS 39 - HE2 LYS 73 lone 3 62 - 5 - HB3 GLU 41 - HE2 LYS 40 lone 3 99 - 3 - HB3 GLU 41 - HE3 LYS 40 lone 3 99 - 3 - HB2 GLU 41 - HE2 LYS 40 lone 3 99 - 3 - HB2 GLU 41 - HE3 LYS 40 lone 3 98 - 3 - HB3 MET 42 - HE2 LYS 39 lone 3 75 - 4 - 8060/6.6=3 HB3 MET 42 - HE3 LYS 39 lone 3 65 - 4 - 8060/6.6=3 HB2 LYS 39 - HE2 LYS 73 lone 3 50 - 5 - HB2 LYS 123 - HE2 LYS 39 lone 3 64 - 4 - HB3 MET 42 - HE3 LYS 43 lone 2 91 - 3 - 247/7.0=2 HB2 LYS 123 - HE3 LYS 39 lone 2 55 - 4 - HB3 MET 42 - HE2 LYS 43 lone 2 70 - 3 - 247/7.0=2 HB3 GLU 41 - HE3 LYS 43 lone 2 92 - 2 - HB2 GLU 41 - HE3 LYS 43 lone 2 91 - 2 - HB3 LYS 115 - HE3 LYS 20 lone 1 86 - 2 - HB3 LYS 115 - HE2 LYS 20 lone 1 86 - 2 - HB3 LYS 115 - HE2 LYS 40 lone 1 90 - 1 - HB2 LYS 123 - HE2 LYS 40 lone 1 90 - 1 - HB3 LYS 115 - HE3 LYS 40 lone 1 89 - 1 - HB3 MET 42 - HE2 LYS 40 lone 1 99 - 1 - HB3 MET 42 - HE3 LYS 40 lone 1 98 - 1 - HB2 LYS 123 - HE3 LYS 40 lone 1 89 - 1 - HB3 GLU 41 - HE2 LYS 43 lone 1 71 - 2 - HB2 GLU 41 - HE2 LYS 43 lone 1 70 - 2 - HB2 LEU 70 - HE2 LYS 20 lone 1 98 - 1 - HB2 LEU 70 - HE3 LYS 20 lone 1 98 - 1 - HB2 LYS 115 - HE2 LYS 20 lone 1 66 - 2 - HB2 LYS 115 - HE3 LYS 20 lone 1 66 - 2 - HB3 GLU 41 - HE2 LYS 39 lone 1 76 - 1 - HB2 LYS 115 - HE2 LYS 40 lone 1 70 - 2 - HB2 GLU 41 - HE2 LYS 39 lone 1 75 - 1 - HB2 LYS 115 - HE3 LYS 40 lone 1 69 - 2 - HB2 LYS 65 - HE2 LYS 40 lone 1 90 - 1 - HB2 LYS 65 - HE3 LYS 40 lone 1 89 - 1 - HB3 LYS 65 - HE2 LYS 40 lone 1 87 - 1 - HB3 GLU 41 - HE3 LYS 39 lone 1 66 - 1 - HB2 GLU 41 - HE3 LYS 39 lone 1 65 - 1 - HB3 LYS 65 - HE3 LYS 40 lone 1 86 - 1 - HB3 LYS 115 - HE2 LYS 39 lone 1 64 - 1 - HB3 LYS 115 - HE3 LYS 43 lone 1 79 - 1 - HB2 LYS 65 - HE2 LYS 39 lone 1 64 - 1 - HB2 LYS 65 - HE3 LYS 20 lone 1 86 - 1 - HB2 LYS 65 - HE2 LYS 20 lone 1 86 - 1 - HB3 LYS 65 - HE2 LYS 39 lone 1 62 - 1 - HB3 LYS 65 - HE2 LYS 20 lone 1 83 - 1 - HB3 LYS 65 - HE3 LYS 20 lone 1 83 - 1 - HB2 LYS 123 - HE2 LYS 20 lone 1 86 - 1 - HB2 LYS 123 - HE3 LYS 20 lone 1 86 - 1 - HB2 LYS 123 - HE3 LYS 43 lone 1 79 - 1 - HB3 LYS 115 - HE3 LYS 39 lone 1 55 - 1 - HB2 LEU 70 - HE3 LYS 43 lone 1 92 - 1 - HB2 LYS 115 - HE2 LYS 39 lone 1 47 - 2 - HB2 LYS 65 - HE3 LYS 39 lone 1 55 - 1 - HB3 LYS 65 - HE3 LYS 39 lone 1 53 - 1 - HB2 LYS 65 - HE3 LYS 43 lone 1 79 - 1 - HB3 LYS 115 - HE3 LYS 73 lone 1 72 - 1 - HB2 LYS 115 - HE3 LYS 43 lone 1 60 - 1 - HB3 LYS 65 - HE3 LYS 43 lone 1 76 - 1 - HB2 LEU 70 - HE2 LYS 40 lone 1 100 - 1 - HB2 LYS 115 - HE3 LYS 39 lone 1 40 - 2 - HB VAL 29 - HE2 LYS 40 lone 1 96 - 1 - HB3 LYS 115 - HE2 LYS 43 lone 1 60 - 1 - HB2 LYS 65 - HE3 LYS 73 lone 1 72 - 1 - HB VAL 104 - HE2 LYS 40 lone 1 100 - 1 - HB VAL 29 - HE3 LYS 40 lone 1 95 - 1 - HB3 LYS 65 - HE3 LYS 73 lone 1 70 - 1 - HB2 LYS 123 - HE2 LYS 43 lone 1 60 - 1 - HB2 LEU 70 - HE3 LYS 40 lone 1 99 - 1 - HB2 LEU 70 - HE2 LYS 43 lone 1 72 - 1 - HB VAL 104 - HE3 LYS 40 lone 1 100 - 1 - HB2 LEU 127 - HE3 LYS 40 lone 1 86 - 1 - HB VAL 104 - HE2 LYS 39 lone 1 78 - 1 - HB2 LYS 115 - HE3 LYS 73 lone 1 54 - 1 - HB2 LYS 123 - HE3 LYS 73 lone 1 72 - 1 - HB2 LEU 127 - HE2 LYS 40 lone 1 87 - 1 - HB2 LYS 65 - HE2 LYS 43 lone 1 60 - 1 - HB3 GLU 41 - HE2 LYS 20 lone 0 97 - 0 - HB3 GLU 41 - HE3 LYS 20 lone 0 97 - 0 - HB2 GLU 41 - HE2 LYS 20 lone 0 97 - 0 - HB2 GLU 41 - HE3 LYS 20 lone 0 97 - 0 - HB VAL 104 - HE3 LYS 39 lone 0 68 - 1 - HB2 LYS 115 - HE2 LYS 43 lone 1 44 - 1 - HB3 LYS 65 - HE2 LYS 43 lone 0 57 - 1 - HB2 LEU 70 - HE2 LYS 39 lone 0 77 - 1 - HB3 LYS 115 - HE2 LYS 73 lone 0 50 - 1 - HB2 LEU 127 - HE3 LYS 43 lone 0 76 - 1 - HB VAL 29 - HE3 LYS 20 lone 0 93 - 0 - HB VAL 29 - HE2 LYS 20 lone 0 93 - 0 - HB3 GLU 41 - HE3 LYS 73 lone 0 85 - 0 - HB VAL 29 - HE2 LYS 39 lone 0 71 - 1 - HB3 GLU 128 - HE2 LYS 40 lone 0 94 - 0 - HB2 GLU 41 - HE3 LYS 73 lone 0 84 - 0 - HB3 GLU 128 - HE3 LYS 40 lone 0 93 - 0 - HB VAL 29 - HE3 LYS 43 lone 0 86 - 0 - HB2 LEU 127 - HE3 LYS 73 lone 0 70 - 1 - HB3 GLU 52 - HE2 LYS 40 lone 0 97 - 0 - HB3 GLU 52 - HE3 LYS 40 lone 0 96 - 0 - HB2 LYS 65 - HE2 LYS 73 lone 0 50 - 1 - HB3 MET 42 - HE3 LYS 20 lone 0 97 - 0 - HB3 MET 42 - HE2 LYS 20 lone 0 97 - 0 - HB VAL 104 - HE3 LYS 20 lone 0 99 - 0 - HB VAL 104 - HE2 LYS 20 lone 0 99 - 0 - HB2 LEU 70 - HE3 LYS 39 lone 0 67 - 1 - HB3 LYS 65 - HE2 LYS 73 lone 0 48 - 1 - HB VAL 29 - HE3 LYS 39 lone 0 61 - 1 - HB2 LEU 127 - HE2 LYS 20 lone 0 83 - 0 - HB2 LEU 127 - HE3 LYS 20 lone 0 83 - 0 - HB2 LYS 123 - HE2 LYS 73 lone 0 50 - 1 - HB3 GLU 52 - HE3 LYS 20 lone 0 94 - 0 - HB3 GLU 52 - HE2 LYS 20 lone 0 94 - 0 - HB VAL 104 - HE3 LYS 43 lone 0 93 - 0 - HB2 LYS 115 - HE2 LYS 73 lone 0 36 - 1 - HB3 GLU 128 - HE2 LYS 20 lone 0 91 - 0 - HB3 GLU 128 - HE3 LYS 20 lone 0 91 - 0 - HB2 LEU 127 - HE2 LYS 39 lone 0 62 - 1 - HB3 MET 42 - HE3 LYS 73 lone 0 84 - 0 - HB3 GLU 52 - HE2 LYS 39 lone 0 72 - 0 - HB3 GLU 128 - HE3 LYS 43 lone 0 84 - 0 - HB2 LEU 127 - HE2 LYS 43 lone 0 57 - 1 - HB VAL 29 - HE2 LYS 43 lone 0 66 - 0 - HB VAL 29 - HE3 LYS 73 lone 0 79 - 0 - HB3 GLU 52 - HE3 LYS 43 lone 0 88 - 0 - HB3 GLU 41 - HE2 LYS 73 lone 0 61 - 0 - HB VAL 104 - HE3 LYS 73 lone 0 87 - 0 - HB2 GLU 41 - HE2 LYS 73 lone 0 60 - 0 - HB2 LEU 127 - HE2 LYS 73 lone 0 48 - 1 - HB2 LEU 127 - HE3 LYS 39 lone 0 53 - 1 - HB3 GLU 128 - HE3 LYS 73 lone 0 77 - 0 - HB3 GLU 128 - HE2 LYS 39 lone 0 69 - 0 - HB3 GLU 52 - HE3 LYS 39 lone 0 63 - 0 - HB VAL 104 - HE2 LYS 43 lone 0 73 - 0 - HB3 GLU 52 - HE3 LYS 73 lone 0 81 - 0 - HB3 GLU 128 - HE2 LYS 43 lone 0 64 - 0 - HB3 GLU 128 - HE3 LYS 39 lone 0 59 - 0 - HB3 MET 42 - HE2 LYS 73 lone 0 60 - 0 - HB3 GLU 52 - HE2 LYS 43 lone 0 68 - 0 - HB VAL 29 - HE2 LYS 73 lone 0 56 - 0 - HB VAL 104 - HE2 LYS 73 lone 0 63 - 0 - HB3 GLU 128 - HE2 LYS 73 lone 0 54 - 0 - HB3 GLU 52 - HE2 LYS 73 lone 0 58 - 0 - Peak 3722 from cnoeabs.peaks (1.38, 2.97, 41.78 ppm; 2.97 A): 4 out of 70 assignments used, quality = 0.99: HG2 LYS 40 + HE3 LYS 40 OK 82 100 - 82 - 3.9=43, 1.8/3733=9...(40) * HG2 LYS 40 + HE2 LYS 40 OK 82 100 - 82 - 3.9=43, 1.8/3733=9...(39) HG3 LYS 43 + HE3 LYS 43 OK 63 84 - 75 - 3.9=44, 1.8/3849=5...(19) HG3 LYS 43 + HE2 LYS 43 OK 49 64 - 77 - 3.9=44, 1.8/3849=5...(20) HG2 LYS 40 - HE3 LYS 43 OK 24 93 - 26 - 1.8/3723=2, 3686=2...(7) HG2 LYS 40 - HE2 LYS 20 OK 22 99 - 22 - 1.8/3733=2, 3687=2...(8) HG2 LYS 40 - HE3 LYS 20 OK 22 99 - 22 - 1.8/3733=2, 3687=2...(8) HG2 LYS 40 - HE2 LYS 43 OK 20 73 - 27 - 1.8/3696=2, 3686=2...(8) HG3 LYS 43 - HE3 LYS 20 OK 17 91 - 19 - 1.8/3849=2, 3687=1, ~3849=1 HG3 LYS 43 - HE2 LYS 20 OK 17 91 - 19 - 1.8/3849=2, 3687=1, ~3849=1 HG3 LYS 43 - HE3 LYS 73 OK 15 77 - 19 - 1.8/3849=2, ~3848=1...(6) HG3 LYS 43 - HE3 LYS 40 OK 14 93 - 15 - 1.8/3849=1 HG3 LYS 43 - HE2 LYS 40 OK 13 94 - 14 - 1.8/3849=1 HG3 LYS 16 - HE3 LYS 40 OK 13 69 - 20 - 1.8/3733=2, 2766/3.0=2...(7) HG3 LYS 16 - HE2 LYS 40 OK 13 70 - 19 - 1.8/3733=2, 2766/3.0=2...(6) HG2 LYS 40 - HE3 LYS 73 OK 13 87 - 14 - 1.8/3696=1 HG3 LYS 43 - HE2 LYS 73 OK 11 54 - 20 - 1.8/3849=2, ~3848=1...(6) HG2 LYS 40 - HE2 LYS 73 OK 10 63 - 16 - 1.8/3696=1 HG2 LYS 40 - HE2 LYS 39 poor 10 78 - 12 - 1.8/3696=1, 4.8/1257=1 HG2 LYS 40 - HE3 LYS 39 poor 9 68 - 13 - 1.8/3696=1 HG3 LYS 43 - HE2 LYS 39 lone 3 69 - 4 - HG3 LYS 43 - HE3 LYS 39 lone 2 59 - 4 - HG3 LYS 16 - HE2 LYS 20 lone 2 66 - 3 - HG3 LYS 16 - HE3 LYS 20 lone 2 66 - 3 - HG2 LYS 94 - HE3 LYS 43 lone 1 82 - 2 - HG3 LYS 16 - HE3 LYS 73 lone 1 54 - 2 - HG2 LYS 94 - HE2 LYS 43 lone 1 62 - 2 - HG3 LYS 16 - HE3 LYS 43 lone 1 60 - 1 - HG3 LYS 16 - HE2 LYS 73 lone 1 36 - 2 - HB3 LEU 68 - HE3 LYS 73 lone 1 86 - 1 - HB3 LEU 68 - HE3 LYS 43 lone 1 93 - 1 - HG LEU 14 - HE3 LYS 43 lone 1 93 - 1 - HB3 LEU 68 - HE3 LYS 20 lone 1 98 - 1 - HB3 LEU 68 - HE2 LYS 20 lone 1 98 - 1 - HG3 LYS 16 - HE2 LYS 43 lone 1 44 - 1 - HB3 LEU 68 - HE2 LYS 73 lone 1 62 - 1 - HB3 LEU 68 - HE2 LYS 43 lone 1 73 - 1 - HG LEU 14 - HE2 LYS 43 lone 1 73 - 1 - HG2 LYS 94 - HE2 LYS 40 lone 0 92 - 1 - HG3 LYS 16 - HE2 LYS 39 lone 1 47 - 1 - HG2 LYS 94 - HE3 LYS 40 lone 0 91 - 1 - HG LEU 14 - HE3 LYS 20 lone 0 99 - 0 - HG LEU 14 - HE2 LYS 20 lone 0 99 - 0 - HB3 LEU 68 - HE3 LYS 40 lone 0 100 - 0 - HB3 LEU 68 - HE2 LYS 40 lone 0 100 - 0 - HG3 LYS 16 - HE3 LYS 39 lone 0 40 - 1 - HG LEU 14 - HE2 LYS 40 lone 0 100 - 0 - HG LEU 14 - HE3 LYS 40 lone 0 100 - 0 - HG2 LYS 94 - HE3 LYS 20 lone 0 89 - 0 - HG2 LYS 94 - HE2 LYS 20 lone 0 89 - 0 - HB3 LEU 68 - HE2 LYS 39 lone 0 78 - 0 - HG LEU 14 - HE3 LYS 73 lone 0 87 - 0 - HG2 LYS 94 - HE3 LYS 73 lone 0 75 - 0 - HB3 LEU 68 - HE3 LYS 39 lone 0 68 - 0 - HG LEU 14 - HE2 LYS 39 lone 0 78 - 0 - HB3 LEU 114 - HE2 LYS 40 lone 0 65 - 0 - HG2 LYS 94 - HE2 LYS 39 lone 0 66 - 0 - HB3 LEU 114 - HE3 LYS 40 lone 0 65 - 0 - HG LEU 14 - HE3 LYS 39 lone 0 68 - 0 - HG LEU 14 - HE2 LYS 73 lone 0 63 - 0 - HG2 LYS 94 - HE3 LYS 39 lone 0 57 - 0 - HB3 LEU 114 - HE3 LYS 20 lone 0 62 - 0 - HB3 LEU 114 - HE2 LYS 20 lone 0 62 - 0 - HG2 LYS 94 - HE2 LYS 73 lone 0 52 - 0 - HB3 LEU 114 - HE3 LYS 43 lone 0 56 - 0 - HB3 LEU 114 - HE3 LYS 73 lone 0 50 - 0 - HB3 LEU 114 - HE2 LYS 39 lone 0 44 - 0 - HB3 LEU 114 - HE2 LYS 43 lone 0 41 - 0 - HB3 LEU 114 - HE3 LYS 39 lone 0 37 - 0 - HB3 LEU 114 - HE2 LYS 73 lone 0 34 - 0 - Peak 3723 from cnoeabs.peaks (1.62, 2.97, 41.78 ppm; 2.75 A): 2 out of 100 assignments used, quality = 0.94: HG3 LYS 40 + HE3 LYS 40 OK 76 100 - 76 - 3.9=34, 3695/3.0=6...(43) * HG3 LYS 40 + HE2 LYS 40 OK 75 100 - 75 - 3.9=34, 3695/3.0=6...(43) HG3 LYS 40 - HE3 LYS 43 OK 22 93 - 24 - 3696=2, 3696/1.8=2...(6) HG3 LYS 40 - HE3 LYS 20 OK 20 99 - 20 - 3697=2, 3697/1.8=2...(4) HG3 LYS 40 - HE2 LYS 20 OK 20 99 - 20 - 3697=2, 3697/1.8=2...(4) HG2 LYS 16 - HE2 LYS 40 OK 18 97 - 19 - 2756/3.0=2, 2756/3.0=2...(5) HG3 LYS 40 - HE2 LYS 43 OK 18 73 - 24 - 3696=2, 3696/1.8=2...(5) HG2 LYS 16 - HE3 LYS 40 OK 16 96 - 17 - 2756/3.0=2, 2756/3.0=2 HG3 LYS 40 - HE3 LYS 73 OK 12 87 - 14 - 3696=1, 3696/1.8=1 HG3 LYS 40 - HE2 LYS 73 poor 9 63 - 15 - 3696=1, 3696/1.8=1 HG3 LYS 40 - HE2 LYS 39 poor 9 78 - 11 - HG3 LYS 40 - HE3 LYS 39 poor 8 68 - 11 - HG2 LYS 16 - HE2 LYS 20 lone 3 94 - 3 - HG2 LYS 16 - HE3 LYS 20 lone 3 94 - 3 - HG2 LYS 16 - HE3 LYS 73 lone 2 81 - 2 - HG2 LYS 16 - HE2 LYS 73 lone 1 58 - 2 - HG2 LYS 16 - HE3 LYS 43 lone 1 88 - 1 - HG2 LYS 16 - HE2 LYS 43 lone 1 68 - 1 - HG2 LYS 16 - HE2 LYS 39 lone 1 72 - 1 - HG2 LYS 16 - HE3 LYS 39 lone 1 63 - 1 - HG LEU 90 - HE2 LYS 20 lone 1 58 - 1 - HG LEU 90 - HE3 LYS 20 lone 1 58 - 1 - HG LEU 63 - HE2 LYS 40 lone 0 100 - 0 - HG LEU 63 - HE3 LYS 40 lone 0 100 - 0 - HB3 LEU 127 - HE3 LYS 40 lone 0 96 - 0 - HB3 LEU 127 - HE2 LYS 40 lone 0 97 - 0 - HD3 LYS 77 - HE2 LYS 40 lone 0 100 - 0 - HD3 LYS 77 - HE3 LYS 40 lone 0 99 - 0 - HD2 LYS 77 - HE2 LYS 40 lone 0 99 - 0 - HD2 LYS 77 - HE3 LYS 40 lone 0 99 - 0 - HG LEU 90 - HE2 LYS 40 lone 0 61 - 0 - HG LEU 63 - HE2 LYS 20 lone 0 99 - 0 - HG LEU 63 - HE3 LYS 20 lone 0 99 - 0 - HB2 LEU 82 - HE2 LYS 40 lone 0 100 - 0 - HB2 LEU 82 - HE3 LYS 40 lone 0 100 - 0 - HB3 LEU 64 - HE2 LYS 40 lone 0 94 - 0 - HB3 LEU 64 - HE3 LYS 40 lone 0 93 - 0 - HB3 LEU 127 - HE3 LYS 43 lone 0 88 - 0 - HD3 LYS 77 - HE2 LYS 39 lone 0 77 - 0 - HB3 LEU 64 - HE2 LYS 20 lone 0 91 - 0 - HB3 LEU 64 - HE3 LYS 20 lone 0 91 - 0 - HB3 LEU 127 - HE3 LYS 73 lone 0 81 - 0 - HD2 LYS 77 - HE2 LYS 39 lone 0 76 - 0 - HG LEU 90 - HE3 LYS 40 lone 0 61 - 0 - HB ILE 116 - HE3 LYS 43 lone 0 82 - 0 - HB ILE 116 - HE2 LYS 40 lone 0 92 - 0 - HB ILE 116 - HE3 LYS 40 lone 0 91 - 0 - HB3 LEU 127 - HE3 LYS 20 lone 0 94 - 0 - HB3 LEU 127 - HE2 LYS 20 lone 0 94 - 0 - HD3 LYS 77 - HE3 LYS 39 lone 0 67 - 0 - HB3 LEU 127 - HE2 LYS 39 lone 0 72 - 0 - HD2 LYS 77 - HE3 LYS 39 lone 0 66 - 0 - HB2 LEU 82 - HE3 LYS 20 lone 0 99 - 0 - HB2 LEU 82 - HE2 LYS 20 lone 0 99 - 0 - HB ILE 116 - HE3 LYS 20 lone 0 89 - 0 - HB ILE 116 - HE2 LYS 20 lone 0 89 - 0 - HD3 LYS 77 - HE3 LYS 20 lone 0 98 - 0 - HD3 LYS 77 - HE2 LYS 20 lone 0 98 - 0 - HD2 LYS 77 - HE2 LYS 20 lone 0 97 - 0 - HD2 LYS 77 - HE3 LYS 20 lone 0 97 - 0 - HB ILE 116 - HE3 LYS 73 lone 0 75 - 0 - HG LEU 63 - HE3 LYS 43 lone 0 93 - 0 - HB3 LEU 127 - HE2 LYS 43 lone 0 68 - 0 - HD3 LYS 77 - HE3 LYS 43 lone 0 92 - 0 - HB3 LEU 64 - HE3 LYS 73 lone 0 77 - 0 - HD2 LYS 77 - HE3 LYS 43 lone 0 92 - 0 - HB2 LEU 82 - HE3 LYS 43 lone 0 93 - 0 - HB3 LEU 64 - HE3 LYS 43 lone 0 84 - 0 - HG LEU 63 - HE3 LYS 73 lone 0 87 - 0 - HB2 LEU 82 - HE3 LYS 73 lone 0 87 - 0 - HD3 LYS 77 - HE3 LYS 73 lone 0 86 - 0 - HD2 LYS 77 - HE3 LYS 73 lone 0 85 - 0 - HB3 LEU 127 - HE3 LYS 39 lone 0 63 - 0 - HB3 LEU 127 - HE2 LYS 73 lone 0 58 - 0 - HG LEU 63 - HE2 LYS 39 lone 0 78 - 0 - HB ILE 116 - HE2 LYS 43 lone 0 62 - 0 - HB2 LEU 82 - HE2 LYS 39 lone 0 78 - 0 - HG LEU 63 - HE2 LYS 43 lone 0 73 - 0 - HD3 LYS 77 - HE2 LYS 43 lone 0 72 - 0 - HD2 LYS 77 - HE2 LYS 43 lone 0 71 - 0 - HB3 LEU 64 - HE2 LYS 39 lone 0 69 - 0 - HB2 LEU 82 - HE2 LYS 43 lone 0 73 - 0 - HG LEU 63 - HE3 LYS 39 lone 0 68 - 0 - HB3 LEU 64 - HE2 LYS 43 lone 0 64 - 0 - HB2 LEU 82 - HE3 LYS 39 lone 0 68 - 0 - HB ILE 116 - HE2 LYS 39 lone 0 66 - 0 - HB2 LEU 82 - HE2 LYS 73 lone 0 63 - 0 - HG LEU 63 - HE2 LYS 73 lone 0 63 - 0 - HB ILE 116 - HE2 LYS 73 lone 0 52 - 0 - HB3 LEU 64 - HE2 LYS 73 lone 0 54 - 0 - HG LEU 90 - HE2 LYS 39 lone 0 41 - 0 - HD3 LYS 77 - HE2 LYS 73 lone 0 62 - 0 - HD2 LYS 77 - HE2 LYS 73 lone 0 61 - 0 - HB3 LEU 64 - HE3 LYS 39 lone 0 59 - 0 - HG LEU 90 - HE3 LYS 43 lone 0 52 - 0 - HG LEU 90 - HE3 LYS 73 lone 0 47 - 0 - HB ILE 116 - HE3 LYS 39 lone 0 57 - 0 - HG LEU 90 - HE3 LYS 39 lone 0 35 - 0 - HG LEU 90 - HE2 LYS 43 lone 0 38 - 0 - HG LEU 90 - HE2 LYS 73 lone 0 31 - 0 - Peak 3724 from cnoeabs.peaks (1.68, 2.97, 41.78 ppm; 2.40 A): 14 out of 200 assignments used, quality = 1.00: * HD2 LYS 40 + HE2 LYS 40 OK 71 100 - 71 - 3.0=53, 3717/1.8=4...(18) HD3 LYS 40 + HE2 LYS 40 OK 71 100 - 71 - 3.0=53, 3717/1.8=4...(18) HD2 LYS 40 + HE3 LYS 40 OK 71 100 - 71 - 3.0=53, 1.8/3717=4...(18) HD3 LYS 40 + HE3 LYS 40 OK 71 100 - 71 - 3.0=53, 3717/1.8=4...(18) HD3 LYS 20 + HE2 LYS 20 OK 67 97 - 70 - 3.0=52, 3.0/3071=3...(13) HD3 LYS 20 + HE3 LYS 20 OK 67 97 - 70 - 3.0=52, 3.0/3071=3...(13) HD2 LYS 20 + HE3 LYS 20 OK 67 96 - 70 - 3.0=52, 3.0/3071=3...(13) HD2 LYS 20 + HE2 LYS 20 OK 67 96 - 70 - 3.0=52, 3.0/3071=3...(13) HD3 LYS 43 + HE3 LYS 43 OK 62 93 - 66 - 3.0=52, 3846/3.9=3...(11) HD2 LYS 43 + HE3 LYS 43 OK 62 92 - 67 - 3.0=52, 3846/3.9=3...(11) HD3 LYS 73 + HE3 LYS 73 OK 60 86 - 70 - 2.9=56, 5170/3.8=3...(14) HD2 LYS 73 + HE3 LYS 73 OK 60 86 - 70 - 2.9=56, 5170/3.8=3...(14) HD3 LYS 43 + HE2 LYS 43 OK 49 73 - 67 - 3.0=52, 3846/3.9=3...(11) HD2 LYS 43 + HE2 LYS 43 OK 49 72 - 67 - 3.0=52, 3846/3.9=3...(11) HD3 LYS 73 - HE2 LYS 73 OK 44 62 - 70 - 2.9=56, 5170/3.8=3...(14) HD2 LYS 73 - HE2 LYS 73 OK 43 62 - 70 - 2.9=56, 5170/3.8=3...(14) HG3 LYS 39 - HE2 LYS 39 OK 25 47 - 53 - 3.6=30, 1.8/3632=3...(16) HG3 LYS 39 - HE3 LYS 39 OK 21 40 - 53 - 3.6=30, 1.8/3632=3...(16) HD3 LYS 20 - HE3 LYS 43 OK 14 91 - 16 - 3.0/3070=1, 3.0/3081=1 HD2 LYS 20 - HE3 LYS 43 OK 14 89 - 16 - 3.0/3070=1, 3.0/3080=1 HD2 LYS 16 - HE2 LYS 40 OK 14 99 - 14 - 3694/3.9=1, 3707=1 HD3 LYS 16 - HE2 LYS 40 OK 13 97 - 14 - 3694/3.9=1 HD2 LYS 16 - HE3 LYS 40 OK 13 99 - 13 - 3694/3.9=1, 3707=1 HD3 LYS 16 - HE3 LYS 40 OK 12 96 - 13 - 3694/3.9=1 HD3 LYS 20 - HE3 LYS 73 OK 12 84 - 15 - HD2 LYS 20 - HE3 LYS 73 OK 12 83 - 15 - HD3 LYS 20 - HE2 LYS 43 OK 12 70 - 17 - 3.0/3071=1 HD2 LYS 20 - HE2 LYS 43 OK 11 69 - 17 - 3.0/3071=1 HD3 LYS 73 - HE3 LYS 43 OK 11 93 - 12 - 3.0/5172=1 HD2 LYS 73 - HE3 LYS 43 OK 11 92 - 12 - 3.0/5172=1 HD2 LYS 40 - HE3 LYS 20 OK 11 99 - 11 - HD2 LYS 40 - HE2 LYS 20 OK 11 99 - 11 - HD3 LYS 40 - HE3 LYS 20 OK 11 99 - 11 - HD3 LYS 40 - HE2 LYS 20 OK 11 99 - 11 - HD2 LYS 40 - HE3 LYS 43 OK 11 93 - 12 - 2.9/3723=1 HD3 LYS 40 - HE3 LYS 43 OK 11 93 - 12 - 2.9/3723=1 HD3 LYS 73 - HE2 LYS 20 poor 10 98 - 10 - HD3 LYS 73 - HE3 LYS 20 poor 10 98 - 10 - HD2 LYS 73 - HE2 LYS 20 poor 10 98 - 10 - HD2 LYS 73 - HE3 LYS 20 poor 10 98 - 10 - HD3 LYS 20 - HE3 LYS 40 lone 10 98 - 10 - HD2 LYS 20 - HE3 LYS 40 lone 10 98 - 10 - HD3 LYS 43 - HE3 LYS 20 lone 10 98 - 10 - HD3 LYS 43 - HE2 LYS 20 lone 10 98 - 10 - HD3 LYS 20 - HE2 LYS 40 lone 10 99 - 10 - HD2 LYS 43 - HE2 LYS 20 lone 10 98 - 10 - HD2 LYS 43 - HE3 LYS 20 lone 10 98 - 10 - HD2 LYS 20 - HE2 LYS 40 lone 9 98 - 10 - HD3 LYS 20 - HE2 LYS 73 poor 9 60 - 16 - HD2 LYS 20 - HE2 LYS 73 poor 9 59 - 16 - HD3 LYS 73 - HE2 LYS 43 poor 9 73 - 12 - 3.0/5172=1, 3.0/5162=1 HD2 LYS 73 - HE2 LYS 43 poor 9 72 - 12 - 3.0/5172=1, 3.0/5162=1 HD3 LYS 43 - HE3 LYS 73 lone 8 86 - 10 - HD2 LYS 43 - HE3 LYS 73 lone 8 86 - 10 - HD2 LYS 40 - HE2 LYS 43 poor 8 73 - 11 - HD3 LYS 40 - HE2 LYS 43 poor 8 73 - 11 - HD2 LYS 43 - HE3 LYS 40 lone 8 99 - 8 - HD3 LYS 43 - HE3 LYS 40 lone 8 100 - 8 - HD2 LYS 43 - HE2 LYS 40 lone 8 100 - 8 - HD3 LYS 43 - HE2 LYS 40 lone 8 100 - 8 - HD3 LYS 43 - HE2 LYS 73 poor 6 62 - 10 - HD2 LYS 43 - HE2 LYS 73 poor 6 62 - 10 - HD2 LYS 40 - HE3 LYS 73 lone 6 87 - 7 - HD3 LYS 40 - HE3 LYS 73 lone 6 87 - 7 - HD3 LYS 96 - HE3 LYS 20 lone 6 99 - 6 - HD3 LYS 96 - HE2 LYS 20 lone 6 99 - 6 - HD2 LYS 96 - HE3 LYS 20 lone 6 99 - 6 - HD2 LYS 96 - HE2 LYS 20 lone 6 99 - 6 - HD2 LYS 96 - HE3 LYS 73 lone 5 87 - 6 - HD3 LYS 96 - HE3 LYS 73 lone 5 87 - 6 - HD2 LYS 96 - HE3 LYS 43 lone 5 93 - 5 - HD3 LYS 96 - HE3 LYS 43 lone 5 93 - 5 - HD3 LYS 73 - HE3 LYS 40 lone 4 100 - 4 - HD2 LYS 73 - HE3 LYS 40 lone 4 99 - 4 - HD2 LYS 40 - HE2 LYS 73 lone 4 63 - 7 - HD3 LYS 40 - HE2 LYS 73 lone 4 63 - 7 - HD3 LYS 73 - HE2 LYS 40 lone 4 100 - 4 - HD2 LYS 73 - HE2 LYS 40 lone 4 100 - 4 - HD2 LYS 40 - HE2 LYS 39 lone 4 78 - 5 - HD3 LYS 40 - HE2 LYS 39 lone 4 78 - 5 - HD2 LYS 96 - HE2 LYS 73 lone 4 63 - 6 - HD2 LYS 96 - HE2 LYS 43 lone 4 73 - 5 - HD2 LYS 96 - HE2 LYS 40 lone 4 100 - 4 - HD3 LYS 96 - HE2 LYS 73 lone 4 63 - 6 - HD3 LYS 96 - HE2 LYS 40 lone 4 100 - 4 - HD3 LYS 96 - HE2 LYS 43 lone 4 73 - 5 - HD2 LYS 96 - HE3 LYS 40 lone 4 100 - 4 - HD3 LYS 96 - HE3 LYS 40 lone 4 100 - 4 - HD2 LYS 40 - HE3 LYS 39 lone 3 68 - 5 - HD3 LYS 40 - HE3 LYS 39 lone 3 68 - 5 - HG3 LYS 39 - HE2 LYS 40 lone 3 70 - 4 - HG3 LYS 39 - HE3 LYS 40 lone 3 69 - 4 - HD2 LYS 16 - HE3 LYS 20 lone 2 97 - 2 - HD2 LYS 16 - HE2 LYS 20 lone 2 97 - 2 - HD3 LYS 16 - HE3 LYS 20 lone 2 94 - 2 - HD3 LYS 16 - HE2 LYS 20 lone 2 94 - 2 - HD3 LYS 73 - HE2 LYS 39 lone 2 78 - 2 - HD2 LYS 96 - HE2 LYS 39 lone 2 78 - 2 - HD3 LYS 96 - HE2 LYS 39 lone 2 78 - 2 - HD2 LYS 73 - HE2 LYS 39 lone 2 77 - 2 - HG3 LYS 39 - HE3 LYS 43 lone 2 60 - 3 - HD3 LYS 73 - HE3 LYS 39 lone 2 68 - 2 - HD2 LYS 96 - HE3 LYS 39 lone 2 68 - 2 - HD2 LYS 73 - HE3 LYS 39 lone 2 67 - 2 - HD3 LYS 96 - HE3 LYS 39 lone 2 68 - 2 - HD3 LYS 43 - HE2 LYS 39 lone 2 78 - 2 - HD2 LYS 43 - HE2 LYS 39 lone 2 77 - 2 - HD2 LYS 44 - HE3 LYS 43 lone 2 52 - 3 - HD3 LYS 20 - HE2 LYS 39 lone 1 75 - 2 - HD2 LYS 20 - HE2 LYS 39 lone 1 74 - 2 - HD2 LYS 44 - HE2 LYS 39 lone 1 41 - 3 - HD3 LYS 43 - HE3 LYS 39 lone 1 68 - 2 - HD2 LYS 43 - HE3 LYS 39 lone 1 67 - 2 - HD2 LYS 44 - HE3 LYS 73 lone 1 47 - 3 - HG3 LYS 39 - HE2 LYS 43 lone 1 44 - 3 - HD3 LYS 20 - HE3 LYS 39 lone 1 65 - 2 - HD2 LYS 20 - HE3 LYS 39 lone 1 64 - 2 - HD2 LYS 16 - HE3 LYS 73 lone 1 85 - 1 - HD2 LYS 44 - HE3 LYS 39 lone 1 35 - 3 - HD3 LYS 16 - HE3 LYS 73 lone 1 81 - 1 - HD2 LYS 44 - HE2 LYS 43 lone 1 38 - 3 - HD2 LYS 17 - HE2 LYS 40 lone 1 100 - 1 - HD2 LYS 17 - HE3 LYS 40 lone 1 100 - 1 - HG3 ARG 95 - HE3 LYS 40 lone 1 98 - 1 - HG3 ARG 95 - HE2 LYS 40 lone 1 98 - 1 - HG3 LYS 39 - HE3 LYS 73 lone 1 54 - 2 - HD2 LYS 17 - HE2 LYS 20 lone 1 99 - 1 - HD2 LYS 17 - HE3 LYS 20 lone 1 99 - 1 - HD2 LYS 16 - HE3 LYS 43 lone 1 92 - 1 - HD2 LYS 44 - HE2 LYS 73 lone 1 31 - 3 - HD2 LYS 16 - HE2 LYS 73 lone 1 61 - 1 - HG3 ARG 95 - HE3 LYS 20 lone 1 96 - 1 - HG3 ARG 95 - HE2 LYS 20 lone 1 96 - 1 - HD3 LYS 16 - HE3 LYS 43 lone 1 88 - 1 - HD3 LYS 16 - HE2 LYS 73 lone 1 58 - 1 - HG3 LYS 123 - HE2 LYS 39 lone 1 47 - 2 - HG3 LYS 39 - HE3 LYS 20 lone 1 66 - 1 - HG3 LYS 39 - HE2 LYS 20 lone 1 66 - 1 - HG3 LYS 123 - HE3 LYS 39 lone 1 40 - 2 - HG3 ARG 95 - HE3 LYS 43 lone 1 89 - 1 - HG3 LYS 39 - HE2 LYS 73 lone 1 36 - 2 - HD2 LYS 16 - HE2 LYS 43 lone 1 71 - 1 - HG3 ARG 95 - HE3 LYS 73 lone 1 83 - 1 - HD3 LYS 16 - HE2 LYS 43 lone 1 68 - 1 - HD2 LYS 44 - HE2 LYS 20 lone 1 58 - 1 - HD2 LYS 44 - HE3 LYS 20 lone 1 58 - 1 - HG3 ARG 95 - HE2 LYS 43 lone 0 69 - 1 - HD2 LYS 17 - HE3 LYS 43 lone 0 93 - 0 - HD2 LYS 16 - HE2 LYS 39 lone 0 76 - 1 - HG3 ARG 95 - HE2 LYS 73 lone 0 59 - 1 - HG12 ILE 71 - HE3 LYS 73 lone 0 70 - 1 - HD3 LYS 16 - HE2 LYS 39 lone 0 72 - 1 - HD2 LYS 16 - HE3 LYS 39 lone 0 66 - 1 - HD2 LYS 17 - HE2 LYS 43 lone 0 73 - 0 - HD3 LYS 16 - HE3 LYS 39 lone 0 63 - 1 - HG3 LYS 123 - HE2 LYS 40 lone 0 70 - 0 - HG3 LYS 123 - HE3 LYS 40 lone 0 69 - 0 - HD2 LYS 44 - HE3 LYS 40 lone 0 61 - 0 - HD2 LYS 44 - HE2 LYS 40 lone 0 61 - 0 - HG12 ILE 71 - HE2 LYS 73 lone 0 48 - 1 - HD2 LYS 17 - HE3 LYS 73 lone 0 87 - 0 - HB ILE 56 - HE3 LYS 20 lone 0 94 - 0 - HB ILE 56 - HE2 LYS 20 lone 0 94 - 0 - HB ILE 54 - HE2 LYS 20 lone 0 99 - 0 - HB ILE 54 - HE3 LYS 20 lone 0 99 - 0 - HB ILE 54 - HE2 LYS 40 lone 0 100 - 0 - HB ILE 54 - HE3 LYS 40 lone 0 100 - 0 - HG3 LYS 123 - HE3 LYS 20 lone 0 66 - 0 - HG3 LYS 123 - HE2 LYS 20 lone 0 66 - 0 - HG3 LYS 123 - HE3 LYS 43 lone 0 60 - 0 - HG12 ILE 71 - HE2 LYS 20 lone 0 83 - 0 - HG12 ILE 71 - HE3 LYS 20 lone 0 83 - 0 - HG3 ARG 95 - HE2 LYS 39 lone 0 74 - 0 - HD2 LYS 17 - HE2 LYS 39 lone 0 78 - 0 - HD2 LYS 17 - HE2 LYS 73 lone 0 63 - 0 - HB ILE 56 - HE3 LYS 43 lone 0 88 - 0 - HB ILE 56 - HE2 LYS 40 lone 0 97 - 0 - HB ILE 56 - HE3 LYS 40 lone 0 96 - 0 - HG3 ARG 95 - HE3 LYS 39 lone 0 64 - 0 - HB ILE 54 - HE3 LYS 73 lone 0 87 - 0 - HB ILE 54 - HE3 LYS 43 lone 0 93 - 0 - HG12 ILE 71 - HE3 LYS 40 lone 0 86 - 0 - HG12 ILE 71 - HE2 LYS 40 lone 0 87 - 0 - HG3 LYS 123 - HE3 LYS 73 lone 0 54 - 0 - HG12 ILE 71 - HE3 LYS 43 lone 0 76 - 0 - HD2 LYS 17 - HE3 LYS 39 lone 0 68 - 0 - HG3 LYS 123 - HE2 LYS 43 lone 0 44 - 0 - HB ILE 56 - HE3 LYS 73 lone 0 81 - 0 - HB ILE 54 - HE2 LYS 39 lone 0 78 - 0 - HB ILE 56 - HE2 LYS 43 lone 0 68 - 0 - HB ILE 54 - HE2 LYS 43 lone 0 73 - 0 - HB ILE 54 - HE3 LYS 39 lone 0 68 - 0 - HG12 ILE 71 - HE2 LYS 39 lone 0 62 - 0 - HB ILE 54 - HE2 LYS 73 lone 0 63 - 0 - HG12 ILE 71 - HE2 LYS 43 lone 0 57 - 0 - HB ILE 56 - HE2 LYS 39 lone 0 72 - 0 - HG3 LYS 123 - HE2 LYS 73 lone 0 36 - 0 - HG12 ILE 71 - HE3 LYS 39 lone 0 53 - 0 - HB ILE 56 - HE2 LYS 73 lone 0 58 - 0 - HB ILE 56 - HE3 LYS 39 lone 0 63 - 0 - Peak 3725 from cnoeabs.peaks (1.68, 2.97, 41.78 ppm; 2.40 A): 14 out of 190 assignments used, quality = 1.00: * HD3 LYS 40 + HE2 LYS 40 OK 71 100 - 71 - 3.0=53, 3717/1.8=4...(18) HD2 LYS 40 + HE2 LYS 40 OK 71 100 - 71 - 3.0=53, 3717/1.8=4...(18) HD3 LYS 40 + HE3 LYS 40 OK 71 100 - 71 - 3.0=53, 3717/1.8=4...(18) HD2 LYS 40 + HE3 LYS 40 OK 71 100 - 71 - 3.0=53, 1.8/3717=4...(18) HD3 LYS 20 + HE3 LYS 20 OK 67 96 - 70 - 3.0=52, 3.0/3071=3...(13) HD3 LYS 20 + HE2 LYS 20 OK 67 96 - 70 - 3.0=52, 3.0/3071=3...(13) HD2 LYS 20 + HE2 LYS 20 OK 66 94 - 70 - 3.0=52, 3.0/3070=3...(13) HD2 LYS 20 + HE3 LYS 20 OK 66 94 - 70 - 3.0=52, 3.0/3070=3...(13) HD2 LYS 43 + HE3 LYS 43 OK 62 93 - 67 - 3.0=52, 3846/3.9=3...(11) HD3 LYS 43 + HE3 LYS 43 OK 61 92 - 66 - 3.0=52, 3846/3.9=3...(11) HD3 LYS 73 + HE3 LYS 73 OK 60 86 - 70 - 2.9=56, 5170/3.8=3...(14) HD2 LYS 73 + HE3 LYS 73 OK 59 85 - 70 - 2.9=56, 5170/3.8=3...(14) HD2 LYS 43 + HE2 LYS 43 OK 49 73 - 67 - 3.0=52, 3846/3.9=3...(11) HD3 LYS 43 + HE2 LYS 43 OK 49 72 - 67 - 3.0=52, 3846/3.9=3...(11) HD3 LYS 73 - HE2 LYS 73 OK 43 62 - 70 - 2.9=56, 5170/3.8=3...(14) HD2 LYS 73 - HE2 LYS 73 OK 43 61 - 70 - 2.9=56, 5170/3.8=3...(14) HG3 LYS 39 - HE2 LYS 39 OK 24 44 - 53 - 3.6=30, 1.8/3632=3...(16) HG3 LYS 39 - HE3 LYS 39 OK 20 37 - 53 - 3.6=30, 1.8/3632=3...(16) HD3 LYS 20 - HE3 LYS 43 OK 14 89 - 16 - 3.0/3071=1, 3.0/3081=1 HD2 LYS 20 - HE3 LYS 43 OK 14 88 - 16 - 3.0/3071=1, 3.0/3081=1 HD2 LYS 16 - HE2 LYS 40 OK 14 99 - 14 - 3695/3.9=1, 3707=1 HD3 LYS 16 - HE2 LYS 40 OK 13 96 - 14 - 3694/3.9=1 HD2 LYS 16 - HE3 LYS 40 OK 13 98 - 13 - 3695/3.9=1, 3707=1 HD3 LYS 16 - HE3 LYS 40 OK 12 95 - 13 - 3694/3.9=1 HD3 LYS 20 - HE3 LYS 73 OK 12 83 - 15 - HD2 LYS 20 - HE3 LYS 73 OK 12 81 - 15 - HD3 LYS 20 - HE2 LYS 43 OK 11 69 - 17 - 3.0/3070=1 HD2 LYS 20 - HE2 LYS 43 OK 11 68 - 17 - 3.0/3070=1 HD3 LYS 73 - HE3 LYS 43 OK 11 92 - 12 - 3.0/5172=1 HD2 LYS 73 - HE3 LYS 43 OK 11 92 - 12 - 3.0/5172=1 HD2 LYS 40 - HE3 LYS 20 OK 11 99 - 11 - HD2 LYS 40 - HE2 LYS 20 OK 11 99 - 11 - HD3 LYS 40 - HE3 LYS 20 OK 11 99 - 11 - HD3 LYS 40 - HE2 LYS 20 OK 11 99 - 11 - HD3 LYS 40 - HE3 LYS 43 OK 11 93 - 12 - 2.9/3723=1 HD2 LYS 40 - HE3 LYS 43 OK 11 93 - 12 - 2.9/3723=1 HD3 LYS 73 - HE2 LYS 20 poor 10 98 - 10 - HD3 LYS 73 - HE3 LYS 20 poor 10 98 - 10 - HD2 LYS 73 - HE3 LYS 20 poor 10 97 - 10 - HD2 LYS 73 - HE2 LYS 20 poor 10 97 - 10 - HD3 LYS 20 - HE3 LYS 40 lone 10 98 - 10 - HD2 LYS 20 - HE3 LYS 40 lone 10 96 - 10 - HD2 LYS 43 - HE2 LYS 20 lone 10 98 - 10 - HD2 LYS 43 - HE3 LYS 20 lone 10 98 - 10 - HD3 LYS 43 - HE2 LYS 20 lone 10 98 - 10 - HD3 LYS 43 - HE3 LYS 20 lone 10 98 - 10 - HD3 LYS 20 - HE2 LYS 40 lone 9 98 - 10 - HD2 LYS 20 - HE2 LYS 40 lone 9 97 - 10 - HD3 LYS 20 - HE2 LYS 73 poor 9 59 - 16 - HD2 LYS 20 - HE2 LYS 73 poor 9 58 - 16 - HD3 LYS 73 - HE2 LYS 43 poor 9 72 - 12 - 3.0/5172=1, 3.0/5162=1 HD2 LYS 73 - HE2 LYS 43 poor 9 71 - 12 - 3.0/5172=1, 3.0/5162=1 HD2 LYS 43 - HE3 LYS 73 lone 8 86 - 10 - HD3 LYS 40 - HE2 LYS 43 poor 8 73 - 11 - HD2 LYS 40 - HE2 LYS 43 poor 8 73 - 11 - HD3 LYS 43 - HE3 LYS 73 lone 8 86 - 10 - HD2 LYS 43 - HE3 LYS 40 lone 8 100 - 8 - HD2 LYS 43 - HE2 LYS 40 lone 8 100 - 8 - HD3 LYS 43 - HE3 LYS 40 lone 8 99 - 8 - HD3 LYS 43 - HE2 LYS 40 lone 8 100 - 8 - HD2 LYS 43 - HE2 LYS 73 poor 6 62 - 10 - HD3 LYS 43 - HE2 LYS 73 poor 6 62 - 10 - HD3 LYS 40 - HE3 LYS 73 lone 6 87 - 7 - HD2 LYS 40 - HE3 LYS 73 lone 6 87 - 7 - HD2 LYS 96 - HE3 LYS 20 lone 6 99 - 6 - HD2 LYS 96 - HE2 LYS 20 lone 6 99 - 6 - HD3 LYS 96 - HE2 LYS 20 lone 6 98 - 6 - HD3 LYS 96 - HE3 LYS 20 lone 6 98 - 6 - HD2 LYS 96 - HE3 LYS 73 lone 5 87 - 6 - HD3 LYS 96 - HE3 LYS 73 lone 5 86 - 6 - HD2 LYS 96 - HE3 LYS 43 lone 5 93 - 5 - HD3 LYS 96 - HE3 LYS 43 lone 5 93 - 5 - HD3 LYS 73 - HE3 LYS 40 lone 4 99 - 4 - HD2 LYS 73 - HE3 LYS 40 lone 4 99 - 4 - HD3 LYS 40 - HE2 LYS 73 lone 4 63 - 7 - HD2 LYS 40 - HE2 LYS 73 lone 4 63 - 7 - HD3 LYS 73 - HE2 LYS 40 lone 4 100 - 4 - HD2 LYS 73 - HE2 LYS 40 lone 4 99 - 4 - HD3 LYS 40 - HE2 LYS 39 lone 4 78 - 5 - HD2 LYS 40 - HE2 LYS 39 lone 4 78 - 5 - HD2 LYS 96 - HE2 LYS 73 lone 4 63 - 6 - HD2 LYS 96 - HE2 LYS 43 lone 4 73 - 5 - HD2 LYS 96 - HE2 LYS 40 lone 4 100 - 4 - HD3 LYS 96 - HE2 LYS 40 lone 4 100 - 4 - HD3 LYS 96 - HE2 LYS 73 lone 4 62 - 6 - HD3 LYS 96 - HE2 LYS 43 lone 4 73 - 5 - HD2 LYS 96 - HE3 LYS 40 lone 4 100 - 4 - HD3 LYS 96 - HE3 LYS 40 lone 4 100 - 4 - HD3 LYS 40 - HE3 LYS 39 lone 3 68 - 5 - HD2 LYS 40 - HE3 LYS 39 lone 3 68 - 5 - HG3 LYS 39 - HE2 LYS 40 lone 3 65 - 4 - HG3 LYS 39 - HE3 LYS 40 lone 2 65 - 4 - HD2 LYS 16 - HE3 LYS 20 lone 2 97 - 2 - HD2 LYS 16 - HE2 LYS 20 lone 2 97 - 2 - HD3 LYS 16 - HE3 LYS 20 lone 2 93 - 2 - HD3 LYS 16 - HE2 LYS 20 lone 2 93 - 2 - HD2 LYS 96 - HE2 LYS 39 lone 2 78 - 2 - HD3 LYS 73 - HE2 LYS 39 lone 2 77 - 2 - HD3 LYS 96 - HE2 LYS 39 lone 2 78 - 2 - HD2 LYS 73 - HE2 LYS 39 lone 2 76 - 2 - HD2 LYS 96 - HE3 LYS 39 lone 2 68 - 2 - HD3 LYS 73 - HE3 LYS 39 lone 2 67 - 2 - HD3 LYS 96 - HE3 LYS 39 lone 2 68 - 2 - HG3 LYS 39 - HE3 LYS 43 lone 2 56 - 3 - HD2 LYS 73 - HE3 LYS 39 lone 2 66 - 2 - HD2 LYS 43 - HE2 LYS 39 lone 2 78 - 2 - HD3 LYS 43 - HE2 LYS 39 lone 2 77 - 2 - HD3 LYS 20 - HE2 LYS 39 lone 1 74 - 2 - HD2 LYS 43 - HE3 LYS 39 lone 1 68 - 2 - HD2 LYS 20 - HE2 LYS 39 lone 1 72 - 2 - HD3 LYS 43 - HE3 LYS 39 lone 1 67 - 2 - HG3 LYS 39 - HE2 LYS 43 lone 1 41 - 3 - HD3 LYS 20 - HE3 LYS 39 lone 1 64 - 2 - HD2 LYS 16 - HE3 LYS 73 lone 1 84 - 1 - HD2 LYS 20 - HE3 LYS 39 lone 1 63 - 2 - HD3 LYS 16 - HE3 LYS 73 lone 1 79 - 1 - HD2 LYS 17 - HE2 LYS 40 lone 1 100 - 1 - HD2 LYS 17 - HE3 LYS 40 lone 1 100 - 1 - HG3 ARG 95 - HE3 LYS 40 lone 1 98 - 1 - HG3 ARG 95 - HE2 LYS 40 lone 1 99 - 1 - HG3 LYS 39 - HE3 LYS 73 lone 1 50 - 2 - HD2 LYS 17 - HE3 LYS 20 lone 1 99 - 1 - HD2 LYS 17 - HE2 LYS 20 lone 1 99 - 1 - HD2 LYS 16 - HE3 LYS 43 lone 1 91 - 1 - HG3 ARG 95 - HE2 LYS 20 lone 1 97 - 1 - HG3 ARG 95 - HE3 LYS 20 lone 1 97 - 1 - HD2 LYS 16 - HE2 LYS 73 lone 1 60 - 1 - HD3 LYS 16 - HE3 LYS 43 lone 1 86 - 1 - HD3 LYS 16 - HE2 LYS 73 lone 1 56 - 1 - HG3 LYS 123 - HE2 LYS 39 lone 1 44 - 2 - HG3 ARG 95 - HE3 LYS 43 lone 1 91 - 1 - HG3 ARG 95 - HE3 LYS 73 lone 1 84 - 1 - HG3 LYS 39 - HE3 LYS 20 lone 1 62 - 1 - HG3 LYS 39 - HE2 LYS 20 lone 1 62 - 1 - HD2 LYS 16 - HE2 LYS 43 lone 1 70 - 1 - HG3 LYS 39 - HE2 LYS 73 lone 1 34 - 2 - HG3 LYS 123 - HE3 LYS 39 lone 1 37 - 2 - HD3 LYS 16 - HE2 LYS 43 lone 1 66 - 1 - HG3 ARG 95 - HE2 LYS 43 lone 0 70 - 1 - HD2 LYS 17 - HE3 LYS 43 lone 0 93 - 0 - HD2 LYS 16 - HE2 LYS 39 lone 0 75 - 1 - HG3 ARG 95 - HE2 LYS 73 lone 0 60 - 1 - HD3 LYS 16 - HE2 LYS 39 lone 0 71 - 1 - HG12 ILE 71 - HE3 LYS 73 lone 0 67 - 1 - HD2 LYS 16 - HE3 LYS 39 lone 0 65 - 1 - HD2 LYS 17 - HE2 LYS 43 lone 0 73 - 0 - HD3 LYS 16 - HE3 LYS 39 lone 0 61 - 1 - HG3 LYS 123 - HE2 LYS 40 lone 0 65 - 0 - HG3 LYS 123 - HE3 LYS 40 lone 0 65 - 0 - HD2 LYS 17 - HE3 LYS 73 lone 0 87 - 0 - HG12 ILE 71 - HE2 LYS 73 lone 0 46 - 1 - HB ILE 56 - HE3 LYS 20 lone 0 93 - 0 - HB ILE 56 - HE2 LYS 20 lone 0 93 - 0 - HB ILE 54 - HE3 LYS 20 lone 0 99 - 0 - HB ILE 54 - HE2 LYS 20 lone 0 99 - 0 - HB ILE 54 - HE2 LYS 40 lone 0 100 - 0 - HB ILE 54 - HE3 LYS 40 lone 0 100 - 0 - HG3 LYS 123 - HE3 LYS 20 lone 0 62 - 0 - HG3 LYS 123 - HE2 LYS 20 lone 0 62 - 0 - HG3 ARG 95 - HE2 LYS 39 lone 0 75 - 0 - HG3 LYS 123 - HE3 LYS 43 lone 0 56 - 0 - HG12 ILE 71 - HE2 LYS 20 lone 0 80 - 0 - HG12 ILE 71 - HE3 LYS 20 lone 0 80 - 0 - HD2 LYS 17 - HE2 LYS 39 lone 0 78 - 0 - HD2 LYS 17 - HE2 LYS 73 lone 0 63 - 0 - HB ILE 56 - HE3 LYS 43 lone 0 86 - 0 - HG3 ARG 95 - HE3 LYS 39 lone 0 65 - 0 - HB ILE 56 - HE2 LYS 40 lone 0 96 - 0 - HB ILE 56 - HE3 LYS 40 lone 0 95 - 0 - HB ILE 54 - HE3 LYS 43 lone 0 93 - 0 - HB ILE 54 - HE3 LYS 73 lone 0 87 - 0 - HG12 ILE 71 - HE3 LYS 40 lone 0 83 - 0 - HG12 ILE 71 - HE2 LYS 40 lone 0 84 - 0 - HD2 LYS 17 - HE3 LYS 39 lone 0 68 - 0 - HG12 ILE 71 - HE3 LYS 43 lone 0 73 - 0 - HG3 LYS 123 - HE3 LYS 73 lone 0 50 - 0 - HG3 LYS 123 - HE2 LYS 43 lone 0 41 - 0 - HB ILE 56 - HE3 LYS 73 lone 0 79 - 0 - HB ILE 54 - HE2 LYS 39 lone 0 78 - 0 - HB ILE 56 - HE2 LYS 43 lone 0 66 - 0 - HB ILE 54 - HE2 LYS 43 lone 0 73 - 0 - HB ILE 54 - HE3 LYS 39 lone 0 68 - 0 - HB ILE 54 - HE2 LYS 73 lone 0 63 - 0 - HG12 ILE 71 - HE2 LYS 43 lone 0 55 - 0 - HG12 ILE 71 - HE2 LYS 39 lone 0 59 - 0 - HB ILE 56 - HE2 LYS 39 lone 0 71 - 0 - HG3 LYS 123 - HE2 LYS 73 lone 0 34 - 0 - HB ILE 56 - HE2 LYS 73 lone 0 56 - 0 - HB ILE 56 - HE3 LYS 39 lone 0 61 - 0 - HG12 ILE 71 - HE3 LYS 39 lone 0 50 - 0 - Peak 3726 from cnoeabs.peaks (2.97, 2.97, 41.78 ppm; diagonal): 9 out of 10 assignments used, quality = 1.00: * HE2 LYS 40 + HE2 LYS 40 OK 100 100 - 100 HE3 LYS 40 + HE3 LYS 40 OK 100 100 - 100 HE2 LYS 20 + HE2 LYS 20 OK 97 97 - 100 HE3 LYS 20 + HE3 LYS 20 OK 97 97 - 100 HE3 LYS 43 + HE3 LYS 43 OK 88 88 - 100 HE3 LYS 73 + HE3 LYS 73 OK 77 77 - 100 HE2 LYS 39 + HE2 LYS 39 OK 64 64 - 100 HE2 LYS 43 + HE2 LYS 43 OK 57 57 - 100 HE3 LYS 39 + HE3 LYS 39 OK 50 50 - 100 HE2 LYS 73 - HE2 LYS 73 OK 44 44 - 100 Peak 3727 from cnoeabs.peaks (2.97, 2.97, 41.78 ppm; diagonal): 9 out of 10 assignments used, quality = 1.00: HE2 LYS 40 + HE2 LYS 40 OK 100 100 - 100 HE3 LYS 40 + HE3 LYS 40 OK 100 100 - 100 HE2 LYS 20 + HE2 LYS 20 OK 98 98 - 100 HE3 LYS 20 + HE3 LYS 20 OK 98 98 - 100 HE3 LYS 43 + HE3 LYS 43 OK 84 84 - 100 HE3 LYS 73 + HE3 LYS 73 OK 72 72 - 100 HE2 LYS 39 + HE2 LYS 39 OK 59 59 - 100 HE2 LYS 43 + HE2 LYS 43 OK 52 52 - 100 HE3 LYS 39 + HE3 LYS 39 OK 45 45 - 100 HE2 LYS 73 - HE2 LYS 73 OK 39 39 - 100 Reference assignment not found: HE3 LYS 40 - HE2 LYS 40 Peak 3730 from cnoeabs.peaks (1.99, 2.97, 41.78 ppm; 4.29 A): 2 out of 66 assignments used, quality = 1.00: * HB2 LYS 40 + HE3 LYS 40 OK 97 100 - 97 - 5.0=64, 3710/3.0=13...(53) HB2 LYS 40 + HE2 LYS 40 OK 97 100 - 97 - 5.0=64, 3710/3.0=13...(53) HB2 LYS 40 - HE3 LYS 43 OK 41 87 - 48 - 3666=4, 2.7/3696=4...(32) HB2 LYS 40 - HE2 LYS 20 OK 40 100 - 40 - 3667=4, 2.7/3697=3...(20) HB2 LYS 40 - HE3 LYS 20 OK 40 100 - 40 - 3667=4, 2.7/3697=3...(20) HB2 LYS 40 - HE2 LYS 43 OK 30 63 - 49 - 3666=4, 3666/1.8=4...(34) HB2 LYS 40 - HE3 LYS 73 OK 24 78 - 30 - 3666=3, 2.7/3696=2...(12) HB2 LYS 40 - HE2 LYS 39 OK 18 68 - 27 - 4.0/1257=3, 3666=2...(7) HB2 LYS 40 - HE3 LYS 39 OK 16 57 - 27 - 4.0/1257=3, 3666=2...(7) HB3 LYS 96 - HE2 LYS 20 OK 14 61 - 24 - 6097/3.0=1, 6097/3.0=1 HB3 LYS 96 - HE3 LYS 20 OK 14 61 - 24 - 6097/3.0=1, 6097/3.0=1 HB3 LYS 96 - HE3 LYS 40 OK 11 61 - 18 - 1251/7.5=2, 3650/6.4=2...(6) HB3 LYS 96 - HE2 LYS 40 OK 11 61 - 18 - 1251/7.5=2, 3650/6.4=2...(6) HB3 LYS 96 - HE3 LYS 43 OK 11 47 - 22 - 6097/3.0=1 HB3 LYS 96 - HE3 LYS 73 OK 10 41 - 25 - 6097/2.9=1, 6097/2.9=1 HB3 LYS 96 - HE2 LYS 43 poor 7 31 - 22 - 6097/3.0=1 HB3 LYS 96 - HE2 LYS 39 poor 5 35 - 16 - 7797/7.3=2 HB2 LYS 17 - HE3 LYS 20 lone 5 99 - 5 - ~2816=2, ~11544=2 HB2 LYS 17 - HE2 LYS 20 lone 5 99 - 5 - ~2816=2, ~11544=2 HB3 LYS 96 - HE3 LYS 39 poor 4 28 - 16 - 7797/7.3=2 HB2 LYS 17 - HE3 LYS 40 lone 3 100 - 3 - HB2 LYS 17 - HE2 LYS 40 lone 3 99 - 3 - HB3 GLU 103 - HE2 LYS 39 lone 2 67 - 3 - ~10936=1, ~11233=1 HB3 GLU 103 - HE3 LYS 39 lone 2 56 - 3 - ~10936=1, ~11233=1 HB2 LYS 40 - HE3 LYS 106 lone 2 68 - 2 - HB3 GLU 103 - HE3 LYS 40 lone 1 100 - 1 - HB3 GLU 103 - HE2 LYS 40 lone 1 99 - 1 - HB2 LYS 40 - HE2 LYS 106 lone 1 63 - 2 - HB2 LYS 17 - HE3 LYS 43 lone 1 86 - 1 - HB2 LYS 17 - HE3 LYS 73 lone 1 77 - 1 - HB3 GLU 21 - HE3 LYS 20 lone 1 69 - 1 - HB3 GLU 21 - HE2 LYS 20 lone 1 69 - 1 - HB3 GLU 21 - HE3 LYS 40 lone 1 70 - 1 - HB VAL 22 - HE3 LYS 40 lone 1 98 - 1 - HB3 GLU 21 - HE2 LYS 40 lone 1 69 - 1 - HB VAL 22 - HE2 LYS 40 lone 1 98 - 1 - HB3 LYS 96 - HE3 LYS 106 lone 1 35 - 3 - ~11540=1 HB2 LYS 17 - HE2 LYS 43 lone 1 62 - 1 - HB VAL 22 - HE3 LYS 20 lone 1 98 - 1 - HB VAL 22 - HE2 LYS 20 lone 1 98 - 1 - HB3 LYS 96 - HE2 LYS 106 lone 1 31 - 3 - ~11540=1 HB3 GLU 103 - HE3 LYS 43 lone 1 86 - 1 - HB3 GLU 103 - HE2 LYS 20 lone 1 99 - 1 - HB3 GLU 103 - HE3 LYS 20 lone 1 99 - 1 - HB3 GLU 103 - HE3 LYS 73 lone 1 77 - 1 - HB2 LYS 17 - HE2 LYS 39 lone 1 67 - 1 - HB3 GLU 21 - HE3 LYS 43 lone 1 54 - 1 - HB VAL 22 - HE3 LYS 43 lone 1 83 - 1 - HB3 GLU 103 - HE2 LYS 43 lone 0 62 - 1 - HB3 GLU 21 - HE3 LYS 73 lone 1 47 - 1 - HB VAL 22 - HE3 LYS 73 lone 0 74 - 1 - HB2 LYS 17 - HE3 LYS 39 lone 0 56 - 1 - HB3 GLU 21 - HE3 LYS 106 lone 0 40 - 1 - HB VAL 22 - HE3 LYS 106 lone 0 64 - 1 - HB2 LYS 17 - HE3 LYS 106 lone 0 67 - 1 - HB3 GLU 21 - HE2 LYS 106 lone 0 36 - 1 - HB3 GLU 103 - HE3 LYS 106 lone 0 67 - 1 - HB VAL 22 - HE2 LYS 39 lone 0 64 - 1 - HB3 GLU 21 - HE2 LYS 39 lone 0 40 - 1 - HB VAL 22 - HE2 LYS 106 lone 0 59 - 1 - HB2 LYS 17 - HE2 LYS 106 lone 0 62 - 1 - HB3 GLU 103 - HE2 LYS 106 lone 0 62 - 1 - HB VAL 22 - HE2 LYS 43 lone 0 59 - 1 - HB3 GLU 21 - HE2 LYS 43 lone 0 36 - 1 - HB VAL 22 - HE3 LYS 39 lone 0 54 - 1 - HB3 GLU 21 - HE3 LYS 39 lone 0 33 - 1 - Peak 3731 from cnoeabs.peaks (1.95, 2.97, 41.78 ppm; 3.71 A): 5 out of 187 assignments used, quality = 1.00: * HB3 LYS 40 + HE3 LYS 40 OK 90 100 - 90 - 5.0=42, 2.7/3733=9...(48) HB3 LYS 40 + HE2 LYS 40 OK 90 100 - 90 - 5.0=42, 2.7/3733=9...(48) HB3 LYS 39 + HE2 LYS 39 OK 57 67 - 85 - 5.0=41, 3611/3.0=7...(44) HB3 LYS 39 + HE3 LYS 39 OK 48 56 - 85 - 5.0=41, 3611/3.0=7...(44) HB2 LYS 39 + HE2 LYS 39 OK 46 55 - 84 - 5.0=41, 3611/3.0=6...(43) HB2 LYS 39 - HE3 LYS 39 OK 38 46 - 84 - 5.0=41, 3611/3.0=6...(43) HB3 LYS 40 - HE2 LYS 20 OK 33 100 - 33 - 2.7/3697=3, 1.8/3720=2...(15) HB3 LYS 40 - HE3 LYS 20 OK 33 100 - 33 - 2.7/3697=3, 1.8/3720=2...(15) HB3 LYS 40 - HE3 LYS 43 OK 33 87 - 38 - 2.7/3696=3, 1.8/3720=3...(21) HB3 LYS 40 - HE2 LYS 43 OK 24 63 - 39 - 2.7/3696=3, 1.8/3666=2...(21) HB3 LYS 39 - HE2 LYS 40 OK 19 99 - 19 - 7474/7.5=3, 3651/6.4=1...(6) HB3 LYS 39 - HE3 LYS 40 OK 18 100 - 18 - 7474/7.5=3, 3651/6.4=1...(6) HB3 LYS 40 - HE3 LYS 73 OK 17 78 - 22 - 2.7/3696=2, 1.8/3666=2...(6) HB2 LYS 39 - HE2 LYS 40 OK 16 89 - 18 - 4.3/1257=3, 3651/6.4=1 HB2 LYS 39 - HE3 LYS 40 OK 16 90 - 17 - 4.3/1257=3, 3651/6.4=1 HB3 LYS 40 - HE2 LYS 39 OK 13 68 - 20 - 4.0/1257=2, 1.8/3666=1...(4) HB3 LYS 40 - HE3 LYS 39 OK 11 57 - 20 - 4.0/1257=2, 1.8/3666=1...(5) HB3 LYS 39 - HE3 LYS 43 OK 10 86 - 12 - 4.3/1257=1 HB2 LYS 39 - HE3 LYS 43 poor 9 72 - 12 - 4.3/1257=1 HB3 LYS 39 - HE2 LYS 43 poor 8 62 - 12 - HB2 LEU 70 - HE3 LYS 73 lone 6 77 - 8 - ~11077=3, 5034/6.7=2, ~11661=2 HB2 LYS 39 - HE2 LYS 43 poor 6 50 - 12 - HB3 LYS 39 - HE3 LYS 20 lone 5 99 - 5 - HB3 LYS 39 - HE2 LYS 20 lone 5 99 - 5 - HB3 LYS 39 - HE3 LYS 73 lone 5 77 - 6 - HB2 LYS 39 - HE2 LYS 20 lone 5 89 - 5 - HB2 LYS 39 - HE3 LYS 20 lone 5 89 - 5 - HB3 GLU 41 - HE3 LYS 40 lone 4 99 - 4 - ~9396=1 HB3 GLU 41 - HE2 LYS 40 lone 4 99 - 4 - ~9396=1 HB2 GLU 41 - HE3 LYS 40 lone 4 99 - 4 - ~9396=1 HB2 GLU 41 - HE2 LYS 40 lone 4 98 - 4 - ~9396=1 HB2 LYS 39 - HE3 LYS 73 lone 4 64 - 6 - HB3 MET 42 - HE2 LYS 39 lone 3 65 - 5 - 8060/6.6=4 HB3 MET 42 - HE3 LYS 39 lone 3 55 - 5 - 8060/6.6=4 HB3 MET 42 - HE3 LYS 43 lone 3 84 - 3 - 247/7.0=3 HB2 LYS 123 - HE2 LYS 39 lone 3 55 - 5 - HB2 LYS 123 - HE3 LYS 39 lone 2 46 - 5 - HB3 MET 42 - HE2 LYS 43 lone 2 60 - 3 - 247/7.0=3 HB3 GLU 41 - HE3 LYS 43 lone 2 85 - 2 - 247/7.0=1 HB2 GLU 41 - HE3 LYS 43 lone 2 84 - 2 - 247/7.0=1 HB3 LYS 115 - HE2 LYS 20 lone 2 89 - 2 - HB3 LYS 115 - HE3 LYS 20 lone 2 89 - 2 - HB2 LYS 123 - HE2 LYS 40 lone 2 89 - 2 - HB3 LYS 115 - HE2 LYS 40 lone 2 89 - 2 - HB3 LYS 115 - HE3 LYS 40 lone 2 90 - 2 - HB2 LYS 123 - HE3 LYS 40 lone 2 90 - 2 - HB3 MET 42 - HE3 LYS 40 lone 2 99 - 2 - HB3 MET 42 - HE2 LYS 40 lone 2 98 - 2 - HB2 LEU 70 - HE2 LYS 20 lone 2 99 - 2 - HB2 LEU 70 - HE3 LYS 20 lone 2 99 - 2 - HB2 LYS 115 - HE3 LYS 20 lone 2 69 - 2 - HB2 LYS 115 - HE2 LYS 20 lone 2 69 - 2 - HB VAL 104 - HE3 LYS 106 lone 2 68 - 2 - HB2 LYS 115 - HE2 LYS 40 lone 1 69 - 2 - HB VAL 104 - HE2 LYS 106 lone 1 63 - 2 - HB2 LYS 115 - HE3 LYS 40 lone 1 70 - 2 - HB3 GLU 41 - HE2 LYS 43 lone 1 61 - 2 - 247/7.0=1 HB2 GLU 41 - HE2 LYS 43 lone 1 60 - 2 - 247/7.0=1 HB2 LYS 65 - HE2 LYS 40 lone 1 89 - 1 - HB2 LYS 65 - HE3 LYS 40 lone 1 90 - 1 - HB3 GLU 41 - HE2 LYS 39 lone 1 66 - 2 - HB3 LYS 65 - HE2 LYS 40 lone 1 86 - 1 - HB3 LYS 65 - HE3 LYS 40 lone 1 87 - 1 - HB2 GLU 41 - HE2 LYS 39 lone 1 65 - 2 - HB3 LYS 40 - HE3 LYS 106 lone 1 68 - 2 - HB2 LYS 65 - HE2 LYS 20 lone 1 89 - 1 - HB2 LYS 65 - HE3 LYS 20 lone 1 89 - 1 - HB3 LYS 115 - HE3 LYS 106 lone 1 55 - 2 - HB3 LYS 65 - HE3 LYS 20 lone 1 86 - 1 - HB3 LYS 65 - HE2 LYS 20 lone 1 86 - 1 - HB2 LYS 123 - HE3 LYS 20 lone 1 89 - 1 - HB2 LYS 123 - HE2 LYS 20 lone 1 89 - 1 - HB3 GLU 41 - HE3 LYS 39 lone 1 56 - 2 - HB3 LYS 40 - HE2 LYS 106 lone 1 63 - 2 - HB2 GLU 41 - HE3 LYS 39 lone 1 55 - 2 - HB3 LYS 115 - HE2 LYS 39 lone 1 55 - 2 - HB3 LYS 115 - HE3 LYS 43 lone 1 72 - 1 - HB3 LYS 115 - HE2 LYS 106 lone 1 50 - 2 - HB2 LYS 123 - HE3 LYS 43 lone 1 72 - 1 - HB2 LEU 70 - HE3 LYS 43 lone 1 86 - 1 - HB2 LYS 65 - HE2 LYS 39 lone 1 55 - 2 - HB3 LYS 65 - HE2 LYS 39 lone 1 53 - 2 - HB3 LYS 115 - HE3 LYS 39 lone 1 46 - 2 - HB2 LEU 70 - HE2 LYS 40 lone 1 99 - 1 - HB2 LYS 115 - HE2 LYS 39 lone 1 40 - 2 - HB VAL 29 - HE2 LYS 40 lone 1 95 - 1 - HB2 LYS 65 - HE3 LYS 43 lone 1 72 - 1 - HB VAL 29 - HE3 LYS 40 lone 1 96 - 1 - HB2 LYS 115 - HE3 LYS 43 lone 1 54 - 1 - HB2 LYS 115 - HE3 LYS 106 lone 1 40 - 2 - HB3 LYS 115 - HE3 LYS 73 lone 1 64 - 1 - HB VAL 104 - HE2 LYS 40 lone 1 100 - 1 - HB2 LEU 70 - HE3 LYS 40 lone 1 100 - 1 - HB3 LYS 65 - HE3 LYS 43 lone 1 70 - 1 - HB3 LYS 39 - HE3 LYS 106 lone 1 67 - 1 - HB VAL 104 - HE3 LYS 40 lone 1 100 - 1 - HB2 LYS 65 - HE3 LYS 39 lone 1 46 - 2 - HB2 LEU 127 - HE3 LYS 40 lone 1 87 - 1 - HB3 LYS 65 - HE3 LYS 39 lone 1 44 - 2 - HB2 LYS 115 - HE2 LYS 106 lone 1 36 - 2 - HB2 LYS 65 - HE3 LYS 73 lone 1 64 - 1 - HB3 LYS 39 - HE2 LYS 106 lone 1 62 - 1 - HB3 LYS 115 - HE2 LYS 43 lone 1 50 - 1 - HB2 LEU 127 - HE2 LYS 40 lone 1 86 - 1 - HB3 GLU 41 - HE3 LYS 20 lone 1 99 - 1 - HB3 GLU 41 - HE2 LYS 20 lone 1 99 - 1 - HB3 LYS 65 - HE3 LYS 73 lone 1 62 - 1 - HB2 GLU 41 - HE3 LYS 20 lone 1 98 - 1 - HB2 GLU 41 - HE2 LYS 20 lone 1 98 - 1 - HB2 LYS 115 - HE3 LYS 39 lone 1 33 - 2 - HB2 LYS 65 - HE3 LYS 106 lone 1 55 - 1 - HB2 LEU 70 - HE2 LYS 43 lone 1 62 - 1 - HB2 LYS 39 - HE3 LYS 106 lone 1 55 - 1 - HB2 LYS 123 - HE2 LYS 43 lone 1 50 - 1 - HB VAL 104 - HE2 LYS 39 lone 1 68 - 1 - HB2 LYS 115 - HE3 LYS 73 lone 1 47 - 1 - HB3 LYS 65 - HE3 LYS 106 lone 1 53 - 1 - HB2 LYS 123 - HE3 LYS 73 lone 1 64 - 1 - HB VAL 29 - HE3 LYS 20 lone 1 95 - 1 - HB VAL 29 - HE2 LYS 20 lone 1 95 - 1 - HB2 LYS 65 - HE2 LYS 106 lone 1 50 - 1 - HB2 LYS 39 - HE2 LYS 106 lone 1 50 - 1 - HB3 GLU 128 - HE3 LYS 40 lone 1 94 - 1 - HB3 GLU 128 - HE2 LYS 40 lone 1 93 - 1 - HB3 LYS 65 - HE2 LYS 106 lone 1 48 - 1 - HB3 GLU 52 - HE3 LYS 40 lone 0 97 - 1 - HB VAL 29 - HE3 LYS 106 lone 1 61 - 1 - HB2 LYS 65 - HE2 LYS 43 lone 1 50 - 1 - HB VAL 104 - HE3 LYS 20 lone 0 100 - 0 - HB VAL 104 - HE2 LYS 20 lone 0 100 - 0 - HB3 MET 42 - HE3 LYS 20 lone 0 98 - 0 - HB3 MET 42 - HE2 LYS 20 lone 0 98 - 0 - HB3 GLU 52 - HE2 LYS 40 lone 0 96 - 1 - HB2 LEU 70 - HE2 LYS 39 lone 1 67 - 1 - HB2 LYS 115 - HE2 LYS 43 lone 1 36 - 1 - HB VAL 104 - HE3 LYS 39 lone 1 57 - 1 - HB3 LYS 65 - HE2 LYS 43 lone 1 48 - 1 - HB3 GLU 41 - HE3 LYS 73 lone 0 76 - 1 - HB VAL 29 - HE3 LYS 43 lone 0 79 - 1 - HB2 LEU 70 - HE3 LYS 106 lone 0 67 - 1 - HB2 GLU 41 - HE3 LYS 73 lone 0 75 - 1 - HB2 LEU 127 - HE3 LYS 43 lone 0 70 - 1 - HB3 GLU 52 - HE3 LYS 20 lone 0 96 - 0 - HB3 GLU 52 - HE2 LYS 20 lone 0 96 - 0 - HB2 LEU 127 - HE3 LYS 20 lone 0 86 - 1 - HB2 LEU 127 - HE2 LYS 20 lone 0 86 - 1 - HB VAL 29 - HE2 LYS 106 lone 0 56 - 1 - HB VAL 29 - HE2 LYS 39 lone 0 61 - 1 - HB2 LYS 123 - HE3 LYS 106 lone 0 55 - 1 - HB2 LEU 127 - HE3 LYS 73 lone 0 62 - 1 - HB2 LEU 70 - HE2 LYS 106 lone 0 62 - 1 - HB3 GLU 128 - HE2 LYS 20 lone 0 93 - 0 - HB3 GLU 128 - HE3 LYS 20 lone 0 93 - 0 - HB2 LYS 123 - HE2 LYS 106 lone 0 50 - 1 - HB VAL 104 - HE3 LYS 43 lone 0 87 - 0 - HB2 LEU 70 - HE3 LYS 39 lone 0 56 - 1 - HB VAL 29 - HE3 LYS 39 lone 0 51 - 1 - HB3 GLU 128 - HE3 LYS 43 lone 0 77 - 0 - HB3 MET 42 - HE3 LYS 73 lone 0 75 - 0 - HB3 GLU 52 - HE3 LYS 43 lone 0 81 - 0 - HB2 LEU 127 - HE2 LYS 39 lone 0 53 - 1 - HB3 GLU 52 - HE2 LYS 39 lone 0 63 - 1 - HB VAL 29 - HE3 LYS 73 lone 0 71 - 0 - HB VAL 104 - HE3 LYS 73 lone 0 78 - 0 - HB VAL 29 - HE2 LYS 43 lone 0 56 - 1 - HB2 LEU 127 - HE2 LYS 43 lone 0 48 - 1 - HB3 GLU 128 - HE3 LYS 73 lone 0 69 - 0 - HB3 MET 42 - HE3 LYS 106 lone 0 65 - 0 - HB3 GLU 52 - HE3 LYS 73 lone 0 72 - 0 - HB3 GLU 128 - HE2 LYS 39 lone 0 59 - 1 - HB VAL 104 - HE2 LYS 43 lone 0 63 - 0 - HB3 GLU 52 - HE3 LYS 39 lone 0 52 - 1 - HB2 LEU 127 - HE3 LYS 39 lone 0 44 - 1 - HB3 GLU 41 - HE3 LYS 106 lone 0 66 - 0 - HB3 MET 42 - HE2 LYS 106 lone 0 60 - 0 - HB2 GLU 41 - HE3 LYS 106 lone 0 65 - 0 - HB3 GLU 52 - HE3 LYS 106 lone 0 63 - 0 - HB3 GLU 41 - HE2 LYS 106 lone 0 61 - 0 - HB3 GLU 128 - HE2 LYS 43 lone 0 54 - 0 - HB2 GLU 41 - HE2 LYS 106 lone 0 60 - 0 - HB3 GLU 52 - HE2 LYS 106 lone 0 58 - 0 - HB3 GLU 128 - HE3 LYS 39 lone 0 49 - 1 - HB3 GLU 52 - HE2 LYS 43 lone 0 58 - 0 - HB3 GLU 128 - HE3 LYS 106 lone 0 59 - 0 - HB2 LEU 127 - HE3 LYS 106 lone 0 53 - 0 - HB3 GLU 128 - HE2 LYS 106 lone 0 54 - 0 - HB2 LEU 127 - HE2 LYS 106 lone 0 48 - 0 - Peak 3732 from cnoeabs.peaks (1.38, 2.97, 41.78 ppm; 3.04 A): 3 out of 77 assignments used, quality = 0.99: * HG2 LYS 40 + HE3 LYS 40 OK 84 100 - 84 - 3.9=46, 1.8/3733=9...(42) HG2 LYS 40 + HE2 LYS 40 OK 84 100 - 84 - 3.9=46, 1.8/3733=9...(39) HG3 LYS 43 + HE3 LYS 43 OK 60 77 - 77 - 3.9=47, 1.8/3849=5...(19) HG3 LYS 43 - HE2 LYS 43 OK 43 54 - 79 - 3.9=47, 1.8/3849=5...(20) HG2 LYS 40 - HE3 LYS 43 OK 24 87 - 27 - 1.8/3723=2, 3687=2...(9) HG2 LYS 40 - HE3 LYS 20 OK 24 100 - 24 - 1.8/3733=2, 3687=2...(8) HG2 LYS 40 - HE2 LYS 20 OK 24 100 - 24 - 1.8/3733=2, 3687=2...(8) HG3 LYS 43 - HE3 LYS 20 OK 19 93 - 20 - 1.8/3116=2, 3687=1...(4) HG3 LYS 43 - HE2 LYS 20 OK 19 93 - 20 - 1.8/3116=2, 3687=1...(4) HG2 LYS 40 - HE2 LYS 43 OK 18 63 - 28 - 1.8/3696=2, 3686=2...(9) HG3 LYS 43 - HE3 LYS 40 OK 14 94 - 15 - 1.8/3849=1, 3652/6.4=1 HG3 LYS 16 - HE3 LYS 40 OK 14 70 - 21 - 1.8/3733=2, 2766/3.0=2...(7) HG3 LYS 43 - HE2 LYS 40 OK 14 93 - 15 - 1.8/3849=1, 3652/6.4=1 HG3 LYS 16 - HE2 LYS 40 OK 14 69 - 20 - 1.8/3733=2, 2766/3.0=2...(7) HG3 LYS 43 - HE3 LYS 73 OK 14 69 - 20 - 1.8/3849=2, ~3848=1...(6) HG2 LYS 40 - HE3 LYS 73 OK 12 78 - 15 - 1.8/3696=1, 3686=1 HG2 LYS 40 - HE2 LYS 39 poor 9 68 - 13 - 1.8/3696=1, 4.8/1257=1 HG2 LYS 40 - HE3 LYS 39 poor 8 57 - 13 - 1.8/3696=1, 4.8/1257=1 HG3 LYS 43 - HE2 LYS 39 lone 3 59 - 4 - HG3 LYS 16 - HE3 LYS 20 lone 2 69 - 4 - HG3 LYS 16 - HE2 LYS 20 lone 2 69 - 4 - HG3 LYS 43 - HE3 LYS 39 lone 2 49 - 4 - HG2 LYS 94 - HE3 LYS 43 lone 1 75 - 2 - HG3 LYS 16 - HE3 LYS 73 lone 1 47 - 2 - HG2 LYS 94 - HE2 LYS 43 lone 1 52 - 2 - HG3 LYS 16 - HE3 LYS 43 lone 1 54 - 1 - HB3 LEU 68 - HE3 LYS 73 lone 1 78 - 1 - HG2 LYS 40 - HE3 LYS 106 lone 1 68 - 1 - HB3 LEU 68 - HE3 LYS 43 lone 1 86 - 1 - HB3 LEU 68 - HE3 LYS 20 lone 1 100 - 1 - HB3 LEU 68 - HE2 LYS 20 lone 1 100 - 1 - HG2 LYS 40 - HE2 LYS 106 lone 1 63 - 1 - HG LEU 14 - HE3 LYS 43 lone 1 87 - 1 - HG2 LYS 94 - HE3 LYS 40 lone 1 92 - 1 - HG2 LYS 94 - HE2 LYS 40 lone 1 91 - 1 - HG LEU 14 - HE3 LYS 20 lone 1 100 - 0 - HG LEU 14 - HE2 LYS 20 lone 1 100 - 0 - HG3 LYS 16 - HE2 LYS 43 lone 1 36 - 1 - HB3 LEU 68 - HE3 LYS 40 lone 0 100 - 0 - HB3 LEU 68 - HE2 LYS 43 lone 0 62 - 1 - HB3 LEU 68 - HE2 LYS 40 lone 0 100 - 0 - HG LEU 14 - HE2 LYS 43 lone 0 63 - 1 - HG3 LYS 16 - HE2 LYS 39 lone 0 40 - 1 - HG LEU 14 - HE3 LYS 40 lone 0 100 - 0 - HG LEU 14 - HE2 LYS 40 lone 0 100 - 0 - HG2 LYS 94 - HE2 LYS 20 lone 0 91 - 0 - HG2 LYS 94 - HE3 LYS 20 lone 0 91 - 0 - HG3 LYS 16 - HE3 LYS 39 lone 0 33 - 1 - HG LEU 14 - HE3 LYS 106 lone 0 68 - 0 - HB3 LEU 68 - HE2 LYS 39 lone 0 68 - 0 - HG3 LYS 43 - HE3 LYS 106 lone 0 59 - 0 - HG LEU 14 - HE2 LYS 106 lone 0 63 - 0 - HG LEU 14 - HE3 LYS 73 lone 0 78 - 0 - HG2 LYS 94 - HE3 LYS 73 lone 0 66 - 0 - HG3 LYS 43 - HE2 LYS 106 lone 0 54 - 0 - HB3 LEU 114 - HE2 LYS 40 lone 0 65 - 0 - HB3 LEU 114 - HE3 LYS 40 lone 0 65 - 0 - HB3 LEU 68 - HE3 LYS 39 lone 0 57 - 0 - HG LEU 14 - HE2 LYS 39 lone 0 68 - 0 - HG2 LYS 94 - HE3 LYS 106 lone 0 57 - 0 - HB3 LEU 114 - HE2 LYS 20 lone 0 65 - 0 - HB3 LEU 114 - HE3 LYS 20 lone 0 65 - 0 - HG2 LYS 94 - HE2 LYS 39 lone 0 57 - 0 - HB3 LEU 68 - HE3 LYS 106 lone 0 68 - 0 - HG2 LYS 94 - HE2 LYS 106 lone 0 52 - 0 - HG LEU 14 - HE3 LYS 39 lone 0 57 - 0 - HB3 LEU 68 - HE2 LYS 106 lone 0 62 - 0 - HG2 LYS 94 - HE3 LYS 39 lone 0 48 - 0 - HG3 LYS 16 - HE3 LYS 106 lone 0 40 - 0 - HB3 LEU 114 - HE3 LYS 43 lone 0 50 - 0 - HB3 LEU 114 - HE3 LYS 106 lone 0 37 - 0 - HG3 LYS 16 - HE2 LYS 106 lone 0 36 - 0 - HB3 LEU 114 - HE2 LYS 106 lone 0 34 - 0 - HB3 LEU 114 - HE3 LYS 73 lone 0 44 - 0 - HB3 LEU 114 - HE2 LYS 39 lone 0 37 - 0 - HB3 LEU 114 - HE2 LYS 43 lone 0 34 - 0 - HB3 LEU 114 - HE3 LYS 39 lone 0 31 - 0 - Peak 3733 from cnoeabs.peaks (1.62, 2.97, 41.78 ppm; 2.71 A): 2 out of 110 assignments used, quality = 0.93: * HG3 LYS 40 + HE3 LYS 40 OK 74 100 - 74 - 3.9=33, 3695/3.0=6...(42) HG3 LYS 40 + HE2 LYS 40 OK 74 100 - 74 - 3.9=33, 3695/3.0=6...(42) HG3 LYS 40 - HE3 LYS 43 OK 20 87 - 23 - 3696=2, 3696/1.8=2...(6) HG3 LYS 40 - HE2 LYS 20 OK 19 100 - 19 - 3697=2, 3697/1.8=2...(4) HG3 LYS 40 - HE3 LYS 20 OK 19 100 - 19 - 3697=2, 3697/1.8=2...(4) HG2 LYS 16 - HE2 LYS 40 OK 17 96 - 18 - 2756/3.0=2, 2756/3.0=2...(4) HG2 LYS 16 - HE3 LYS 40 OK 16 97 - 17 - 2756/3.0=2, 2756/3.0=2 HG3 LYS 40 - HE2 LYS 43 OK 14 63 - 23 - 3696=2, 3696/1.8=2...(5) HG3 LYS 40 - HE3 LYS 73 OK 11 78 - 14 - 3696=1, 3696/1.8=1 HG3 LYS 40 - HE2 LYS 39 poor 7 68 - 11 - HG3 LYS 40 - HE3 LYS 39 poor 6 57 - 11 - HG LEU 90 - HE3 LYS 106 poor 6 35 - 17 - 2.1/11572=5, ~11572=4...(4) HG LEU 90 - HE2 LYS 106 poor 5 31 - 17 - 2.1/11572=5, ~11572=4...(4) HG2 LYS 16 - HE2 LYS 20 lone 3 96 - 3 - HG2 LYS 16 - HE3 LYS 20 lone 3 96 - 3 - HB2 LEU 82 - HE3 LYS 106 lone 3 68 - 4 - 9975/6.1=3 HB2 LEU 82 - HE2 LYS 106 lone 2 63 - 4 - 9975/6.1=3 HG2 LYS 16 - HE3 LYS 73 lone 2 72 - 2 - HG2 LYS 16 - HE3 LYS 43 lone 1 81 - 1 - HG2 LYS 16 - HE2 LYS 43 lone 1 58 - 1 - HG3 LYS 40 - HE3 LYS 106 lone 1 68 - 1 - HG LEU 90 - HE3 LYS 20 lone 1 61 - 1 - HG LEU 90 - HE2 LYS 20 lone 1 61 - 1 - HG2 LYS 16 - HE2 LYS 39 lone 1 63 - 1 - HG3 LYS 40 - HE2 LYS 106 lone 0 63 - 1 - HG LEU 63 - HE3 LYS 40 lone 0 100 - 0 - HG LEU 63 - HE2 LYS 40 lone 0 100 - 0 - HG2 LYS 16 - HE3 LYS 39 lone 0 52 - 1 - HB3 LEU 127 - HE3 LYS 40 lone 0 97 - 0 - HB3 LEU 127 - HE2 LYS 40 lone 0 96 - 0 - HD3 LYS 77 - HE3 LYS 40 lone 0 100 - 0 - HD3 LYS 77 - HE2 LYS 40 lone 0 99 - 0 - HD2 LYS 77 - HE3 LYS 40 lone 0 99 - 0 - HD2 LYS 77 - HE2 LYS 40 lone 0 99 - 0 - HG LEU 90 - HE2 LYS 40 lone 0 61 - 0 - HG LEU 63 - HE2 LYS 20 lone 0 100 - 0 - HG LEU 63 - HE3 LYS 20 lone 0 100 - 0 - HB2 LEU 82 - HE3 LYS 40 lone 0 100 - 0 - HB2 LEU 82 - HE2 LYS 40 lone 0 100 - 0 - HB3 LEU 64 - HE3 LYS 40 lone 0 94 - 0 - HB3 LEU 64 - HE2 LYS 40 lone 0 93 - 0 - HG LEU 90 - HE3 LYS 40 lone 0 61 - 0 - HB3 LEU 64 - HE3 LYS 20 lone 0 93 - 0 - HB3 LEU 64 - HE2 LYS 20 lone 0 93 - 0 - HB3 LEU 127 - HE3 LYS 43 lone 0 81 - 0 - HB ILE 116 - HE3 LYS 40 lone 0 92 - 0 - HB ILE 116 - HE2 LYS 40 lone 0 91 - 0 - HB3 LEU 127 - HE3 LYS 20 lone 0 96 - 0 - HB3 LEU 127 - HE2 LYS 20 lone 0 96 - 0 - HB2 LEU 82 - HE3 LYS 20 lone 0 100 - 0 - HB2 LEU 82 - HE2 LYS 20 lone 0 100 - 0 - HB3 LEU 127 - HE3 LYS 73 lone 0 72 - 0 - HB ILE 116 - HE3 LYS 43 lone 0 75 - 0 - HB ILE 116 - HE2 LYS 20 lone 0 91 - 0 - HB ILE 116 - HE3 LYS 20 lone 0 91 - 0 - HD3 LYS 77 - HE2 LYS 39 lone 0 67 - 0 - HD3 LYS 77 - HE2 LYS 20 lone 0 99 - 0 - HD3 LYS 77 - HE3 LYS 20 lone 0 99 - 0 - HD2 LYS 77 - HE2 LYS 39 lone 0 66 - 0 - HD2 LYS 77 - HE3 LYS 20 lone 0 99 - 0 - HD2 LYS 77 - HE2 LYS 20 lone 0 99 - 0 - HG2 LYS 16 - HE3 LYS 106 lone 0 63 - 0 - HG LEU 63 - HE3 LYS 43 lone 0 87 - 0 - HD3 LYS 77 - HE3 LYS 43 lone 0 86 - 0 - HB3 LEU 127 - HE2 LYS 39 lone 0 63 - 0 - HD2 LYS 77 - HE3 LYS 43 lone 0 85 - 0 - HB ILE 116 - HE3 LYS 73 lone 0 66 - 0 - HB2 LEU 82 - HE3 LYS 43 lone 0 87 - 0 - HD3 LYS 77 - HE3 LYS 39 lone 0 56 - 0 - HD2 LYS 77 - HE3 LYS 39 lone 0 56 - 0 - HG2 LYS 16 - HE2 LYS 106 lone 0 58 - 0 - HB3 LEU 64 - HE3 LYS 43 lone 0 77 - 0 - HB3 LEU 64 - HE3 LYS 73 lone 0 69 - 0 - HG LEU 63 - HE3 LYS 73 lone 0 78 - 0 - HB2 LEU 82 - HE3 LYS 73 lone 0 78 - 0 - HB3 LEU 127 - HE2 LYS 43 lone 0 58 - 0 - HD3 LYS 77 - HE3 LYS 73 lone 0 77 - 0 - HD2 LYS 77 - HE3 LYS 73 lone 0 76 - 0 - HG LEU 63 - HE3 LYS 106 lone 0 68 - 0 - HB3 LEU 127 - HE3 LYS 39 lone 0 52 - 0 - HG LEU 63 - HE2 LYS 39 lone 0 68 - 0 - HB ILE 116 - HE2 LYS 43 lone 0 52 - 0 - HB2 LEU 82 - HE2 LYS 39 lone 0 68 - 0 - HG LEU 63 - HE2 LYS 106 lone 0 63 - 0 - HG LEU 63 - HE2 LYS 43 lone 0 63 - 0 - HD3 LYS 77 - HE3 LYS 106 lone 0 67 - 0 - HD2 LYS 77 - HE3 LYS 106 lone 0 66 - 0 - HD3 LYS 77 - HE2 LYS 43 lone 0 62 - 0 - HB3 LEU 64 - HE2 LYS 39 lone 0 59 - 0 - HD2 LYS 77 - HE2 LYS 43 lone 0 61 - 0 - HB2 LEU 82 - HE2 LYS 43 lone 0 63 - 0 - HB3 LEU 127 - HE3 LYS 106 lone 0 63 - 0 - HG LEU 63 - HE3 LYS 39 lone 0 57 - 0 - HB ILE 116 - HE3 LYS 106 lone 0 57 - 0 - HD3 LYS 77 - HE2 LYS 106 lone 0 62 - 0 - HB3 LEU 64 - HE2 LYS 43 lone 0 54 - 0 - HD2 LYS 77 - HE2 LYS 106 lone 0 61 - 0 - HB2 LEU 82 - HE3 LYS 39 lone 0 57 - 0 - HB3 LEU 127 - HE2 LYS 106 lone 0 58 - 0 - HB ILE 116 - HE2 LYS 39 lone 0 57 - 0 - HB3 LEU 64 - HE3 LYS 106 lone 0 59 - 0 - HG LEU 90 - HE3 LYS 43 lone 0 47 - 0 - HB ILE 116 - HE2 LYS 106 lone 0 52 - 0 - HG LEU 90 - HE2 LYS 39 lone 0 35 - 0 - HB3 LEU 64 - HE3 LYS 39 lone 0 49 - 0 - HB3 LEU 64 - HE2 LYS 106 lone 0 54 - 0 - HG LEU 90 - HE3 LYS 73 lone 0 41 - 0 - HB ILE 116 - HE3 LYS 39 lone 0 48 - 0 - HG LEU 90 - HE3 LYS 39 lone 0 28 - 0 - HG LEU 90 - HE2 LYS 43 lone 0 31 - 0 - Peak 3734 from cnoeabs.peaks (1.68, 2.97, 41.78 ppm; 2.40 A): 12 out of 220 assignments used, quality = 1.00: * HD2 LYS 40 + HE3 LYS 40 OK 71 100 - 71 - 3.0=53, 1.8/3717=4...(18) HD3 LYS 40 + HE3 LYS 40 OK 71 100 - 71 - 3.0=53, 1.8/3717=4...(18) HD2 LYS 40 + HE2 LYS 40 OK 71 100 - 71 - 3.0=53, 3717/1.8=4...(18) HD3 LYS 40 + HE2 LYS 40 OK 71 100 - 71 - 3.0=53, 3717/1.8=4...(18) HD3 LYS 20 + HE3 LYS 20 OK 69 98 - 70 - 3.0=52, 3.0/3070=3...(13) HD3 LYS 20 + HE2 LYS 20 OK 69 98 - 70 - 3.0=52, 3.0/3070=3...(13) HD2 LYS 20 + HE2 LYS 20 OK 68 98 - 70 - 3.0=52, 3.0/3070=3...(13) HD2 LYS 20 + HE3 LYS 20 OK 68 98 - 70 - 3.0=52, 3.0/3070=3...(13) HD3 LYS 43 + HE3 LYS 43 OK 57 86 - 66 - 3.0=52, 3846/3.9=3...(11) HD2 LYS 43 + HE3 LYS 43 OK 57 86 - 67 - 3.0=52, 3846/3.9=3...(11) HD3 LYS 73 + HE3 LYS 73 OK 54 78 - 70 - 2.9=56, 5170/3.8=3...(14) HD2 LYS 73 + HE3 LYS 73 OK 54 77 - 70 - 2.9=56, 5170/3.8=3...(14) HD3 LYS 43 - HE2 LYS 43 OK 42 62 - 67 - 3.0=52, 3846/3.9=3...(11) HD2 LYS 43 - HE2 LYS 43 OK 42 62 - 67 - 3.0=52, 3846/3.9=3...(11) HG3 LYS 39 - HE2 LYS 39 OK 21 40 - 53 - 3.6=30, ~3642=3, ~3632=3...(16) HG3 LYS 39 - HE3 LYS 39 OK 17 33 - 53 - 3.6=30, ~3642=3, ~3632=3...(16) HD2 LYS 16 - HE2 LYS 40 OK 14 99 - 14 - 3694/3.9=1, 3707=1 HD3 LYS 16 - HE2 LYS 40 OK 13 96 - 14 - 3694/3.9=1 HD3 LYS 20 - HE3 LYS 43 OK 13 84 - 16 - 3.0/3070=1, 3.0/3080=1 HD2 LYS 16 - HE3 LYS 40 OK 13 99 - 13 - 3694/3.9=1, 3707=1 HD2 LYS 20 - HE3 LYS 43 OK 13 83 - 16 - 3.0/3071=1, 3.0/3081=1 HD3 LYS 16 - HE3 LYS 40 OK 13 97 - 13 - 3694/3.9=1 HD2 LYS 40 - HE3 LYS 20 OK 11 100 - 11 - 2.9/3733=1 HD2 LYS 40 - HE2 LYS 20 OK 11 100 - 11 - 2.9/3733=1 HD3 LYS 40 - HE2 LYS 20 OK 11 100 - 11 - 2.9/3733=1 HD3 LYS 40 - HE3 LYS 20 OK 11 100 - 11 - 2.9/3733=1 HD3 LYS 20 - HE3 LYS 73 OK 11 75 - 15 - HD2 LYS 20 - HE3 LYS 73 OK 11 74 - 15 - HD3 LYS 73 - HE3 LYS 43 OK 10 86 - 12 - 3.0/5172=1 HD2 LYS 73 - HE3 LYS 43 OK 10 86 - 12 - 3.0/5172=1 HD2 LYS 40 - HE3 LYS 43 OK 10 87 - 12 - 2.9/3723=1 HD3 LYS 40 - HE3 LYS 43 OK 10 87 - 12 - 2.9/3723=1 HD3 LYS 73 - HE2 LYS 20 OK 10 100 - 10 - HD3 LYS 73 - HE3 LYS 20 OK 10 100 - 10 - HD2 LYS 73 - HE2 LYS 20 poor 10 99 - 10 - HD2 LYS 73 - HE3 LYS 20 poor 10 99 - 10 - HD3 LYS 20 - HE3 LYS 40 lone 10 99 - 10 - HD3 LYS 20 - HE2 LYS 43 poor 10 60 - 17 - 3.0/3070=1 HD2 LYS 20 - HE3 LYS 40 lone 10 98 - 10 - HD3 LYS 43 - HE2 LYS 20 lone 10 100 - 10 - HD3 LYS 43 - HE3 LYS 20 lone 10 100 - 10 - HD2 LYS 20 - HE2 LYS 43 poor 10 59 - 17 - 3.0/3071=1 HD2 LYS 43 - HE2 LYS 20 lone 10 99 - 10 - HD2 LYS 43 - HE3 LYS 20 lone 10 99 - 10 - HD3 LYS 20 - HE2 LYS 40 lone 10 98 - 10 - HD2 LYS 20 - HE2 LYS 40 lone 9 98 - 10 - HD2 LYS 43 - HE3 LYS 40 lone 8 100 - 8 - HD3 LYS 43 - HE3 LYS 40 lone 8 100 - 8 - HD2 LYS 43 - HE2 LYS 40 lone 8 99 - 8 - HD3 LYS 43 - HE2 LYS 40 lone 8 100 - 8 - HD3 LYS 73 - HE2 LYS 43 poor 8 62 - 12 - 3.0/5172=1 HD3 LYS 43 - HE3 LYS 73 lone 7 78 - 10 - HD2 LYS 43 - HE3 LYS 73 lone 7 77 - 10 - HD2 LYS 73 - HE2 LYS 43 poor 7 62 - 12 - 3.0/5172=1 HD2 LYS 40 - HE2 LYS 43 poor 7 63 - 11 - HD3 LYS 40 - HE2 LYS 43 poor 7 63 - 11 - HD3 LYS 96 - HE3 LYS 20 lone 6 100 - 6 - HD3 LYS 96 - HE2 LYS 20 lone 6 100 - 6 - HD2 LYS 96 - HE3 LYS 20 lone 6 100 - 6 - HD2 LYS 96 - HE2 LYS 20 lone 6 100 - 6 - HD2 LYS 40 - HE3 LYS 73 lone 5 78 - 7 - HD3 LYS 40 - HE3 LYS 73 lone 5 78 - 7 - HD2 LYS 96 - HE3 LYS 73 lone 5 78 - 6 - HD3 LYS 96 - HE3 LYS 73 lone 5 78 - 6 - HD2 LYS 96 - HE3 LYS 43 lone 4 87 - 5 - HD3 LYS 96 - HE3 LYS 43 lone 4 87 - 5 - HD3 LYS 73 - HE3 LYS 40 lone 4 100 - 4 - HD2 LYS 73 - HE3 LYS 40 lone 4 100 - 4 - HD3 LYS 73 - HE2 LYS 40 lone 4 100 - 4 - HD2 LYS 73 - HE2 LYS 40 lone 4 99 - 4 - HD2 LYS 96 - HE2 LYS 40 lone 4 100 - 4 - HD3 LYS 96 - HE2 LYS 40 lone 4 100 - 4 - HD2 LYS 96 - HE3 LYS 40 lone 4 100 - 4 - HD3 LYS 96 - HE3 LYS 40 lone 4 100 - 4 - HD2 LYS 40 - HE2 LYS 39 lone 3 68 - 5 - HD3 LYS 40 - HE2 LYS 39 lone 3 68 - 5 - HD2 LYS 96 - HE2 LYS 43 lone 3 63 - 5 - HD3 LYS 96 - HE2 LYS 43 lone 3 63 - 5 - HD2 LYS 40 - HE3 LYS 39 lone 3 57 - 5 - HD3 LYS 40 - HE3 LYS 39 lone 3 57 - 5 - HG3 LYS 39 - HE2 LYS 40 lone 3 69 - 4 - HG3 LYS 39 - HE3 LYS 40 lone 3 70 - 4 - HD2 LYS 16 - HE2 LYS 20 lone 2 99 - 2 - HD2 LYS 16 - HE3 LYS 20 lone 2 99 - 2 - HD3 LYS 16 - HE3 LYS 20 lone 2 96 - 2 - HD3 LYS 16 - HE2 LYS 20 lone 2 96 - 2 - HD2 LYS 96 - HE2 LYS 39 lone 2 68 - 2 - HD3 LYS 73 - HE2 LYS 39 lone 2 68 - 2 - HD3 LYS 96 - HE2 LYS 39 lone 2 68 - 2 - HD2 LYS 73 - HE2 LYS 39 lone 2 67 - 2 - HG3 LYS 39 - HE3 LYS 43 lone 2 54 - 3 - HD3 LYS 73 - HE3 LYS 39 lone 1 57 - 2 - HD2 LYS 44 - HE3 LYS 43 lone 1 47 - 3 - HD2 LYS 96 - HE3 LYS 39 lone 1 57 - 2 - HD3 LYS 96 - HE3 LYS 39 lone 1 57 - 2 - HD2 LYS 73 - HE3 LYS 39 lone 1 56 - 2 - HD3 LYS 43 - HE2 LYS 39 lone 1 68 - 2 - HD2 LYS 43 - HE2 LYS 39 lone 1 67 - 2 - HD3 LYS 20 - HE2 LYS 39 lone 1 65 - 2 - HD2 LYS 20 - HE2 LYS 39 lone 1 64 - 2 - HD2 LYS 44 - HE3 LYS 73 lone 1 41 - 3 - HD3 LYS 43 - HE3 LYS 39 lone 1 57 - 2 - HD2 LYS 43 - HE3 LYS 39 lone 1 56 - 2 - HD2 LYS 44 - HE2 LYS 39 lone 1 35 - 3 - HD2 LYS 16 - HE3 LYS 73 lone 1 76 - 1 - HD2 LYS 17 - HE3 LYS 40 lone 1 100 - 1 - HD2 LYS 17 - HE2 LYS 40 lone 1 100 - 1 - HG3 ARG 95 - HE3 LYS 40 lone 1 98 - 1 - HG3 LYS 39 - HE2 LYS 43 lone 1 36 - 3 - HD3 LYS 20 - HE3 LYS 39 lone 1 55 - 2 - HG3 ARG 95 - HE2 LYS 40 lone 1 98 - 1 - HD3 LYS 16 - HE3 LYS 73 lone 1 72 - 1 - HD2 LYS 20 - HE3 LYS 39 lone 1 54 - 2 - HD2 LYS 17 - HE3 LYS 20 lone 1 100 - 1 - HD2 LYS 17 - HE2 LYS 20 lone 1 100 - 1 - HD2 LYS 44 - HE3 LYS 39 lone 1 28 - 3 - HD2 LYS 44 - HE2 LYS 43 lone 1 31 - 3 - HG3 ARG 95 - HE2 LYS 20 lone 1 98 - 1 - HG3 ARG 95 - HE3 LYS 20 lone 1 98 - 1 - HD2 LYS 16 - HE3 LYS 43 lone 1 85 - 1 - HG3 LYS 39 - HE3 LYS 73 lone 1 47 - 2 - HD3 LYS 16 - HE3 LYS 43 lone 1 81 - 1 - HG3 LYS 39 - HE3 LYS 20 lone 1 69 - 1 - HG3 LYS 39 - HE2 LYS 20 lone 1 69 - 1 - HG3 LYS 123 - HE2 LYS 39 lone 1 40 - 2 - HG3 ARG 95 - HE3 LYS 43 lone 1 83 - 1 - HG3 ARG 95 - HE3 LYS 73 lone 1 74 - 1 - HG3 LYS 123 - HE3 LYS 39 lone 1 33 - 2 - HD2 LYS 16 - HE2 LYS 43 lone 1 61 - 1 - HD2 LYS 44 - HE2 LYS 20 lone 1 61 - 1 - HD2 LYS 44 - HE3 LYS 20 lone 1 61 - 1 - HD3 LYS 16 - HE2 LYS 43 lone 1 58 - 1 - HD2 LYS 17 - HE3 LYS 43 lone 0 87 - 0 - HG3 ARG 95 - HE2 LYS 43 lone 0 59 - 1 - HD2 LYS 16 - HE2 LYS 39 lone 0 66 - 1 - HD3 LYS 20 - HE3 LYS 106 lone 0 65 - 1 - HD2 LYS 20 - HE3 LYS 106 lone 0 64 - 1 - HG12 ILE 71 - HE3 LYS 73 lone 0 62 - 1 - HD3 LYS 16 - HE2 LYS 39 lone 0 63 - 1 - HD3 LYS 20 - HE2 LYS 106 lone 0 60 - 1 - HD2 LYS 20 - HE2 LYS 106 lone 0 59 - 1 - HG3 LYS 123 - HE2 LYS 40 lone 0 69 - 0 - HD2 LYS 16 - HE3 LYS 39 lone 0 56 - 1 - HG3 LYS 123 - HE3 LYS 40 lone 0 70 - 0 - HD2 LYS 40 - HE3 LYS 106 lone 0 68 - 0 - HD3 LYS 40 - HE3 LYS 106 lone 0 68 - 0 - HD2 LYS 17 - HE2 LYS 43 lone 0 63 - 0 - HD2 LYS 44 - HE3 LYS 40 lone 0 61 - 0 - HD3 LYS 16 - HE3 LYS 39 lone 0 52 - 1 - HD2 LYS 40 - HE2 LYS 106 lone 0 63 - 0 - HD3 LYS 40 - HE2 LYS 106 lone 0 63 - 0 - HD2 LYS 44 - HE2 LYS 40 lone 0 61 - 0 - HB ILE 56 - HE2 LYS 20 lone 0 96 - 0 - HB ILE 56 - HE3 LYS 20 lone 0 96 - 0 - HG3 LYS 123 - HE3 LYS 20 lone 0 69 - 0 - HG3 LYS 123 - HE2 LYS 20 lone 0 69 - 0 - HB ILE 54 - HE2 LYS 20 lone 0 100 - 0 - HB ILE 54 - HE3 LYS 20 lone 0 100 - 0 - HD2 LYS 17 - HE3 LYS 73 lone 0 78 - 0 - HB ILE 54 - HE3 LYS 40 lone 0 100 - 0 - HB ILE 54 - HE2 LYS 40 lone 0 100 - 0 - HD2 LYS 96 - HE3 LYS 106 lone 0 68 - 0 - HD3 LYS 96 - HE3 LYS 106 lone 0 68 - 0 - HG12 ILE 71 - HE2 LYS 20 lone 0 86 - 0 - HG12 ILE 71 - HE3 LYS 20 lone 0 86 - 0 - HD2 LYS 96 - HE2 LYS 106 lone 0 63 - 0 - HD3 LYS 96 - HE2 LYS 106 lone 0 63 - 0 - HG3 LYS 123 - HE3 LYS 43 lone 0 54 - 0 - HG12 ILE 71 - HE3 LYS 106 lone 0 53 - 0 - HB ILE 56 - HE3 LYS 40 lone 0 97 - 0 - HB ILE 56 - HE2 LYS 40 lone 0 96 - 0 - HG3 ARG 95 - HE2 LYS 39 lone 0 64 - 0 - HG12 ILE 71 - HE3 LYS 40 lone 0 87 - 0 - HB ILE 56 - HE3 LYS 43 lone 0 81 - 0 - HD2 LYS 16 - HE3 LYS 106 lone 0 66 - 0 - HG12 ILE 71 - HE2 LYS 106 lone 0 48 - 0 - HG12 ILE 71 - HE2 LYS 40 lone 0 86 - 0 - HD2 LYS 17 - HE2 LYS 39 lone 0 68 - 0 - HD3 LYS 43 - HE3 LYS 106 lone 0 68 - 0 - HD2 LYS 43 - HE3 LYS 106 lone 0 67 - 0 - HD3 LYS 16 - HE3 LYS 106 lone 0 63 - 0 - HB ILE 54 - HE3 LYS 43 lone 0 87 - 0 - HB ILE 54 - HE3 LYS 106 lone 0 68 - 0 - HD2 LYS 16 - HE2 LYS 106 lone 0 61 - 0 - HB ILE 54 - HE3 LYS 73 lone 0 78 - 0 - HG12 ILE 71 - HE3 LYS 43 lone 0 70 - 0 - HD3 LYS 43 - HE2 LYS 106 lone 0 62 - 0 - HD3 LYS 73 - HE3 LYS 106 lone 0 68 - 0 - HD2 LYS 43 - HE2 LYS 106 lone 0 62 - 0 - HD2 LYS 73 - HE3 LYS 106 lone 0 67 - 0 - HD3 LYS 16 - HE2 LYS 106 lone 0 58 - 0 - HG3 LYS 123 - HE3 LYS 73 lone 0 47 - 0 - HB ILE 54 - HE2 LYS 106 lone 0 63 - 0 - HG3 ARG 95 - HE3 LYS 39 lone 0 54 - 0 - HD3 LYS 73 - HE2 LYS 106 lone 0 62 - 0 - HD2 LYS 17 - HE3 LYS 39 lone 0 57 - 0 - HD2 LYS 73 - HE2 LYS 106 lone 0 62 - 0 - HB ILE 56 - HE3 LYS 73 lone 0 72 - 0 - HG3 LYS 123 - HE2 LYS 43 lone 0 36 - 0 - HB ILE 54 - HE2 LYS 39 lone 0 68 - 0 - HD2 LYS 17 - HE3 LYS 106 lone 0 68 - 0 - HB ILE 56 - HE2 LYS 43 lone 0 58 - 0 - HG3 LYS 39 - HE3 LYS 106 lone 0 40 - 0 - HB ILE 54 - HE2 LYS 43 lone 0 63 - 0 - HD2 LYS 17 - HE2 LYS 106 lone 0 63 - 0 - HG3 ARG 95 - HE3 LYS 106 lone 0 64 - 0 - HG3 LYS 39 - HE2 LYS 106 lone 0 36 - 0 - HG12 ILE 71 - HE2 LYS 39 lone 0 53 - 0 - HB ILE 54 - HE3 LYS 39 lone 0 57 - 0 - HG12 ILE 71 - HE2 LYS 43 lone 0 48 - 0 - HB ILE 56 - HE2 LYS 39 lone 0 63 - 0 - HG3 ARG 95 - HE2 LYS 106 lone 0 59 - 0 - HB ILE 56 - HE3 LYS 106 lone 0 63 - 0 - HG3 LYS 123 - HE3 LYS 106 lone 0 40 - 0 - HB ILE 56 - HE2 LYS 106 lone 0 58 - 0 - HG12 ILE 71 - HE3 LYS 39 lone 0 44 - 0 - HB ILE 56 - HE3 LYS 39 lone 0 52 - 0 - HG3 LYS 123 - HE2 LYS 106 lone 0 36 - 0 - HD2 LYS 44 - HE3 LYS 106 lone 0 35 - 0 - HD2 LYS 44 - HE2 LYS 106 lone 0 31 - 0 - Peak 3735 from cnoeabs.peaks (1.68, 2.97, 41.78 ppm; 2.40 A): 12 out of 209 assignments used, quality = 1.00: * HD3 LYS 40 + HE3 LYS 40 OK 71 100 - 71 - 3.0=53, 1.8/3717=4...(18) HD2 LYS 40 + HE3 LYS 40 OK 71 100 - 71 - 3.0=53, 1.8/3717=4...(18) HD3 LYS 40 + HE2 LYS 40 OK 71 100 - 71 - 3.0=53, 3717/1.8=4...(18) HD2 LYS 40 + HE2 LYS 40 OK 71 100 - 71 - 3.0=53, 3717/1.8=4...(18) HD3 LYS 20 + HE2 LYS 20 OK 68 98 - 70 - 3.0=52, 3.0/3071=3...(13) HD3 LYS 20 + HE3 LYS 20 OK 68 98 - 70 - 3.0=52, 3.0/3071=3...(13) HD2 LYS 20 + HE3 LYS 20 OK 67 96 - 70 - 3.0=52, 3.0/3070=3...(13) HD2 LYS 20 + HE2 LYS 20 OK 67 96 - 70 - 3.0=52, 3.0/3070=3...(13) HD2 LYS 43 + HE3 LYS 43 OK 58 86 - 67 - 3.0=52, 3846/3.9=3...(11) HD3 LYS 43 + HE3 LYS 43 OK 57 86 - 66 - 3.0=52, 3846/3.9=3...(11) HD3 LYS 73 + HE3 LYS 73 OK 54 77 - 70 - 2.9=56, 5170/3.8=3...(14) HD2 LYS 73 + HE3 LYS 73 OK 53 76 - 70 - 2.9=56, 5170/3.8=3...(14) HD2 LYS 43 - HE2 LYS 43 OK 42 62 - 67 - 3.0=52, 3846/3.9=3...(11) HD3 LYS 43 - HE2 LYS 43 OK 41 62 - 67 - 3.0=52, 3846/3.9=3...(11) HG3 LYS 39 - HE2 LYS 39 OK 20 37 - 53 - 3.6=30, ~3642=3, ~3632=3...(16) HG3 LYS 39 - HE3 LYS 39 OK 16 31 - 53 - 3.6=30, ~3642=3, ~3632=3...(16) HD2 LYS 16 - HE2 LYS 40 OK 14 98 - 14 - 3695/3.9=1, 3707=1 HD2 LYS 16 - HE3 LYS 40 OK 13 99 - 13 - 3695/3.9=1, 3707=1 HD3 LYS 16 - HE2 LYS 40 OK 13 95 - 14 - 3694/3.9=1 HD3 LYS 20 - HE3 LYS 43 OK 13 83 - 16 - 3.0/3071=1, 3.0/3080=1 HD2 LYS 20 - HE3 LYS 43 OK 13 81 - 16 - 3.0/3070=1, 3.0/3081=1 HD3 LYS 16 - HE3 LYS 40 OK 12 96 - 13 - 3694/3.9=1 HD2 LYS 40 - HE2 LYS 20 OK 11 100 - 11 - 2.9/3733=1 HD2 LYS 40 - HE3 LYS 20 OK 11 100 - 11 - 2.9/3733=1 HD3 LYS 40 - HE2 LYS 20 OK 11 100 - 11 - 2.9/3733=1 HD3 LYS 40 - HE3 LYS 20 OK 11 100 - 11 - 2.9/3733=1 HD3 LYS 20 - HE3 LYS 73 OK 11 74 - 15 - HD2 LYS 20 - HE3 LYS 73 OK 11 72 - 15 - HD3 LYS 73 - HE3 LYS 43 OK 10 86 - 12 - 3.0/5172=1 HD3 LYS 40 - HE3 LYS 43 OK 10 87 - 12 - 2.9/3723=1 HD2 LYS 40 - HE3 LYS 43 OK 10 87 - 12 - 2.9/3723=1 HD2 LYS 73 - HE3 LYS 43 OK 10 85 - 12 - 3.0/5172=1 HD3 LYS 73 - HE2 LYS 20 poor 10 99 - 10 - HD3 LYS 73 - HE3 LYS 20 poor 10 99 - 10 - HD2 LYS 73 - HE3 LYS 20 poor 10 99 - 10 - HD2 LYS 73 - HE2 LYS 20 poor 10 99 - 10 - HD3 LYS 20 - HE3 LYS 40 lone 10 98 - 10 - HD2 LYS 20 - HE3 LYS 40 lone 10 97 - 10 - HD3 LYS 20 - HE2 LYS 43 poor 10 59 - 17 - 3.0/3071=1 HD2 LYS 43 - HE3 LYS 20 lone 10 100 - 10 - HD2 LYS 43 - HE2 LYS 20 lone 10 100 - 10 - HD3 LYS 43 - HE3 LYS 20 lone 10 99 - 10 - HD3 LYS 43 - HE2 LYS 20 lone 10 99 - 10 - HD3 LYS 20 - HE2 LYS 40 lone 9 98 - 10 - HD2 LYS 20 - HE2 LYS 43 poor 9 58 - 17 - 3.0/3070=1 HD2 LYS 20 - HE2 LYS 40 lone 9 96 - 10 - HD2 LYS 43 - HE3 LYS 40 lone 8 100 - 8 - HD3 LYS 43 - HE3 LYS 40 lone 8 100 - 8 - HD2 LYS 43 - HE2 LYS 40 lone 8 100 - 8 - HD3 LYS 43 - HE2 LYS 40 lone 8 99 - 8 - HD2 LYS 43 - HE3 LYS 73 lone 8 78 - 10 - HD3 LYS 73 - HE2 LYS 43 poor 7 62 - 12 - 3.0/5172=1 HD3 LYS 43 - HE3 LYS 73 lone 7 77 - 10 - HD2 LYS 73 - HE2 LYS 43 poor 7 61 - 12 - 3.0/5172=1 HD3 LYS 40 - HE2 LYS 43 poor 7 63 - 11 - HD2 LYS 40 - HE2 LYS 43 poor 7 63 - 11 - HD2 LYS 96 - HE3 LYS 20 lone 6 100 - 6 - HD2 LYS 96 - HE2 LYS 20 lone 6 100 - 6 - HD3 LYS 96 - HE2 LYS 20 lone 6 100 - 6 - HD3 LYS 96 - HE3 LYS 20 lone 6 100 - 6 - HD3 LYS 40 - HE3 LYS 73 lone 5 78 - 7 - HD2 LYS 40 - HE3 LYS 73 lone 5 78 - 7 - HD2 LYS 96 - HE3 LYS 73 lone 5 78 - 6 - HD3 LYS 96 - HE3 LYS 73 lone 5 78 - 6 - HD2 LYS 96 - HE3 LYS 43 lone 4 87 - 5 - HD3 LYS 96 - HE3 LYS 43 lone 4 86 - 5 - HD3 LYS 73 - HE3 LYS 40 lone 4 100 - 4 - HD2 LYS 73 - HE3 LYS 40 lone 4 99 - 4 - HD3 LYS 73 - HE2 LYS 40 lone 4 99 - 4 - HD2 LYS 73 - HE2 LYS 40 lone 4 99 - 4 - HD2 LYS 96 - HE2 LYS 40 lone 4 100 - 4 - HD3 LYS 96 - HE2 LYS 40 lone 4 100 - 4 - HD2 LYS 96 - HE3 LYS 40 lone 4 100 - 4 - HD3 LYS 96 - HE3 LYS 40 lone 4 100 - 4 - HD3 LYS 40 - HE2 LYS 39 lone 3 68 - 5 - HD2 LYS 40 - HE2 LYS 39 lone 3 68 - 5 - HD2 LYS 96 - HE2 LYS 43 lone 3 63 - 5 - HD3 LYS 96 - HE2 LYS 43 lone 3 62 - 5 - HD3 LYS 40 - HE3 LYS 39 lone 3 57 - 5 - HD2 LYS 40 - HE3 LYS 39 lone 3 57 - 5 - HG3 LYS 39 - HE2 LYS 40 lone 3 65 - 4 - HG3 LYS 39 - HE3 LYS 40 lone 2 65 - 4 - HD2 LYS 16 - HE3 LYS 20 lone 2 98 - 2 - HD2 LYS 16 - HE2 LYS 20 lone 2 98 - 2 - HD3 LYS 16 - HE2 LYS 20 lone 2 95 - 2 - HD3 LYS 16 - HE3 LYS 20 lone 2 95 - 2 - HD2 LYS 96 - HE2 LYS 39 lone 2 68 - 2 - HD3 LYS 96 - HE2 LYS 39 lone 2 68 - 2 - HD3 LYS 73 - HE2 LYS 39 lone 2 67 - 2 - HD2 LYS 73 - HE2 LYS 39 lone 2 66 - 2 - HG3 LYS 39 - HE3 LYS 43 lone 1 50 - 3 - HD2 LYS 96 - HE3 LYS 39 lone 1 57 - 2 - HD2 LYS 43 - HE2 LYS 39 lone 1 68 - 2 - HD3 LYS 73 - HE3 LYS 39 lone 1 56 - 2 - HD3 LYS 96 - HE3 LYS 39 lone 1 57 - 2 - HD3 LYS 43 - HE2 LYS 39 lone 1 67 - 2 - HD2 LYS 73 - HE3 LYS 39 lone 1 56 - 2 - HD3 LYS 20 - HE2 LYS 39 lone 1 64 - 2 - HD2 LYS 20 - HE2 LYS 39 lone 1 63 - 2 - HD2 LYS 43 - HE3 LYS 39 lone 1 57 - 2 - HD3 LYS 43 - HE3 LYS 39 lone 1 56 - 2 - HD2 LYS 16 - HE3 LYS 73 lone 1 75 - 1 - HG3 ARG 95 - HE3 LYS 40 lone 1 99 - 1 - HD2 LYS 17 - HE3 LYS 40 lone 1 100 - 1 - HD2 LYS 17 - HE2 LYS 40 lone 1 100 - 1 - HG3 ARG 95 - HE2 LYS 40 lone 1 98 - 1 - HD3 LYS 20 - HE3 LYS 39 lone 1 54 - 2 - HD3 LYS 16 - HE3 LYS 73 lone 1 71 - 1 - HD2 LYS 20 - HE3 LYS 39 lone 1 52 - 2 - HG3 LYS 39 - HE2 LYS 43 lone 1 34 - 3 - HD2 LYS 17 - HE2 LYS 20 lone 1 100 - 1 - HD2 LYS 17 - HE3 LYS 20 lone 1 100 - 1 - HG3 ARG 95 - HE2 LYS 20 lone 1 98 - 1 - HG3 ARG 95 - HE3 LYS 20 lone 1 98 - 1 - HD2 LYS 16 - HE3 LYS 43 lone 1 84 - 1 - HG3 LYS 39 - HE3 LYS 73 lone 1 44 - 2 - HD3 LYS 16 - HE3 LYS 43 lone 1 79 - 1 - HG3 LYS 39 - HE3 LYS 20 lone 1 65 - 1 - HG3 LYS 39 - HE2 LYS 20 lone 1 65 - 1 - HG3 ARG 95 - HE3 LYS 43 lone 1 84 - 1 - HG3 LYS 123 - HE2 LYS 39 lone 1 37 - 2 - HG3 ARG 95 - HE3 LYS 73 lone 1 75 - 1 - HD2 LYS 16 - HE2 LYS 43 lone 1 60 - 1 - HG3 LYS 123 - HE3 LYS 39 lone 1 31 - 2 - HD3 LYS 16 - HE2 LYS 43 lone 0 56 - 1 - HD2 LYS 17 - HE3 LYS 43 lone 0 87 - 0 - HG3 ARG 95 - HE2 LYS 43 lone 0 60 - 1 - HD2 LYS 16 - HE2 LYS 39 lone 0 65 - 1 - HD3 LYS 20 - HE3 LYS 106 lone 0 64 - 1 - HD2 LYS 20 - HE3 LYS 106 lone 0 63 - 1 - HG12 ILE 71 - HE3 LYS 73 lone 0 59 - 1 - HD3 LYS 16 - HE2 LYS 39 lone 0 61 - 1 - HD3 LYS 20 - HE2 LYS 106 lone 0 59 - 1 - HD2 LYS 20 - HE2 LYS 106 lone 0 58 - 1 - HD2 LYS 16 - HE3 LYS 39 lone 0 55 - 1 - HD3 LYS 40 - HE3 LYS 106 lone 0 68 - 0 - HD2 LYS 40 - HE3 LYS 106 lone 0 68 - 0 - HD2 LYS 17 - HE2 LYS 43 lone 0 63 - 0 - HG3 LYS 123 - HE2 LYS 40 lone 0 65 - 0 - HG3 LYS 123 - HE3 LYS 40 lone 0 65 - 0 - HD3 LYS 16 - HE3 LYS 39 lone 0 51 - 1 - HD3 LYS 40 - HE2 LYS 106 lone 0 63 - 0 - HD2 LYS 40 - HE2 LYS 106 lone 0 63 - 0 - HB ILE 56 - HE3 LYS 20 lone 0 95 - 0 - HB ILE 56 - HE2 LYS 20 lone 0 95 - 0 - HD2 LYS 17 - HE3 LYS 73 lone 0 78 - 0 - HB ILE 54 - HE2 LYS 20 lone 0 100 - 0 - HB ILE 54 - HE3 LYS 20 lone 0 100 - 0 - HB ILE 54 - HE3 LYS 40 lone 0 100 - 0 - HB ILE 54 - HE2 LYS 40 lone 0 100 - 0 - HD2 LYS 96 - HE3 LYS 106 lone 0 68 - 0 - HD3 LYS 96 - HE3 LYS 106 lone 0 68 - 0 - HG3 LYS 123 - HE2 LYS 20 lone 0 65 - 0 - HG3 LYS 123 - HE3 LYS 20 lone 0 65 - 0 - HG12 ILE 71 - HE2 LYS 20 lone 0 83 - 0 - HG12 ILE 71 - HE3 LYS 20 lone 0 83 - 0 - HD2 LYS 96 - HE2 LYS 106 lone 0 63 - 0 - HD3 LYS 96 - HE2 LYS 106 lone 0 62 - 0 - HG3 LYS 123 - HE3 LYS 43 lone 0 50 - 0 - HG3 ARG 95 - HE2 LYS 39 lone 0 65 - 0 - HG12 ILE 71 - HE3 LYS 106 lone 0 50 - 0 - HB ILE 56 - HE3 LYS 40 lone 0 96 - 0 - HB ILE 56 - HE2 LYS 40 lone 0 95 - 0 - HD2 LYS 16 - HE3 LYS 106 lone 0 65 - 0 - HG12 ILE 71 - HE3 LYS 40 lone 0 84 - 0 - HB ILE 56 - HE3 LYS 43 lone 0 79 - 0 - HD2 LYS 17 - HE2 LYS 39 lone 0 68 - 0 - HD2 LYS 43 - HE3 LYS 106 lone 0 68 - 0 - HG12 ILE 71 - HE2 LYS 40 lone 0 83 - 0 - HD3 LYS 43 - HE3 LYS 106 lone 0 67 - 0 - HG12 ILE 71 - HE2 LYS 106 lone 0 46 - 0 - HB ILE 54 - HE3 LYS 43 lone 0 87 - 0 - HB ILE 54 - HE3 LYS 106 lone 0 68 - 0 - HD3 LYS 16 - HE3 LYS 106 lone 0 61 - 0 - HD2 LYS 16 - HE2 LYS 106 lone 0 60 - 0 - HB ILE 54 - HE3 LYS 73 lone 0 78 - 0 - HD2 LYS 43 - HE2 LYS 106 lone 0 62 - 0 - HD3 LYS 43 - HE2 LYS 106 lone 0 62 - 0 - HD3 LYS 73 - HE3 LYS 106 lone 0 67 - 0 - HG3 ARG 95 - HE3 LYS 39 lone 0 55 - 0 - HB ILE 54 - HE2 LYS 106 lone 0 63 - 0 - HD2 LYS 73 - HE3 LYS 106 lone 0 66 - 0 - HG12 ILE 71 - HE3 LYS 43 lone 0 67 - 0 - HD3 LYS 16 - HE2 LYS 106 lone 0 56 - 0 - HG3 LYS 123 - HE3 LYS 73 lone 0 44 - 0 - HD2 LYS 17 - HE3 LYS 39 lone 0 57 - 0 - HD3 LYS 73 - HE2 LYS 106 lone 0 62 - 0 - HD2 LYS 73 - HE2 LYS 106 lone 0 61 - 0 - HB ILE 56 - HE3 LYS 73 lone 0 71 - 0 - HB ILE 54 - HE2 LYS 39 lone 0 68 - 0 - HD2 LYS 17 - HE3 LYS 106 lone 0 68 - 0 - HG3 LYS 123 - HE2 LYS 43 lone 0 34 - 0 - HB ILE 56 - HE2 LYS 43 lone 0 56 - 0 - HB ILE 54 - HE2 LYS 43 lone 0 63 - 0 - HD2 LYS 17 - HE2 LYS 106 lone 0 63 - 0 - HG3 ARG 95 - HE3 LYS 106 lone 0 65 - 0 - HG3 LYS 39 - HE3 LYS 106 lone 0 37 - 0 - HB ILE 54 - HE3 LYS 39 lone 0 57 - 0 - HG3 ARG 95 - HE2 LYS 106 lone 0 60 - 0 - HG3 LYS 39 - HE2 LYS 106 lone 0 34 - 0 - HB ILE 56 - HE2 LYS 39 lone 0 61 - 0 - HG12 ILE 71 - HE2 LYS 39 lone 0 50 - 0 - HG12 ILE 71 - HE2 LYS 43 lone 0 46 - 0 - HB ILE 56 - HE3 LYS 106 lone 0 61 - 0 - HB ILE 56 - HE2 LYS 106 lone 0 56 - 0 - HG3 LYS 123 - HE3 LYS 106 lone 0 37 - 0 - HB ILE 56 - HE3 LYS 39 lone 0 51 - 0 - HG12 ILE 71 - HE3 LYS 39 lone 0 42 - 0 - HG3 LYS 123 - HE2 LYS 106 lone 0 34 - 0 - Peak 3736 from cnoeabs.peaks (2.97, 2.97, 41.78 ppm; diagonal): 9 out of 11 assignments used, quality = 1.00: HE3 LYS 40 + HE3 LYS 40 OK 100 100 - 100 HE2 LYS 40 + HE2 LYS 40 OK 100 100 - 100 HE2 LYS 20 + HE2 LYS 20 OK 99 99 - 100 HE3 LYS 20 + HE3 LYS 20 OK 99 99 - 100 HE3 LYS 43 + HE3 LYS 43 OK 81 81 - 100 HE3 LYS 73 + HE3 LYS 73 OK 69 69 - 100 HE2 LYS 39 + HE2 LYS 39 OK 55 55 - 100 HE2 LYS 43 + HE2 LYS 43 OK 48 48 - 100 HE3 LYS 106 + HE3 LYS 106 OK 45 45 - 100 HE3 LYS 39 - HE3 LYS 39 OK 42 42 - 100 HE2 LYS 106 - HE2 LYS 106 OK 39 39 - 100 Reference assignment not found: HE2 LYS 40 - HE3 LYS 40 Peak 3737 from cnoeabs.peaks (2.97, 2.97, 41.78 ppm; diagonal): 8 out of 11 assignments used, quality = 1.00: * HE3 LYS 40 + HE3 LYS 40 OK 100 100 - 100 HE2 LYS 40 + HE2 LYS 40 OK 100 100 - 100 HE2 LYS 20 + HE2 LYS 20 OK 100 100 - 100 HE3 LYS 20 + HE3 LYS 20 OK 100 100 - 100 HE3 LYS 43 + HE3 LYS 43 OK 77 77 - 100 HE3 LYS 73 + HE3 LYS 73 OK 64 64 - 100 HE2 LYS 39 + HE2 LYS 39 OK 50 50 - 100 HE3 LYS 106 + HE3 LYS 106 OK 50 50 - 100 HE2 LYS 43 - HE2 LYS 43 OK 44 44 - 100 HE2 LYS 106 - HE2 LYS 106 OK 44 44 - 100 HE3 LYS 39 - HE3 LYS 39 OK 37 37 - 100 Peak 3738 from cnoeabs.peaks (8.72, 4.26, 58.07 ppm; 4.68 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 41 + HA GLU 41 OK 100 100 - 100 - 3.0=100 Peak 3739 from cnoeabs.peaks (4.26, 4.26, 58.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 41 + HA GLU 41 OK 100 100 - 100 Peak 3740 from cnoeabs.peaks (1.95, 4.26, 58.07 ppm; 3.65 A): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 41 + HA GLU 41 OK 100 100 - 100 - 3.0=100 HB3 GLU 41 + HA GLU 41 OK 100 100 - 100 - 3.0=100 Peak 3741 from cnoeabs.peaks (1.95, 4.26, 58.07 ppm; 3.65 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 41 + HA GLU 41 OK 100 100 - 100 - 3.0=100 HB2 GLU 41 + HA GLU 41 OK 100 100 - 100 - 3.0=100 Peak 3742 from cnoeabs.peaks (2.13, 4.26, 58.07 ppm; 5.07 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 41 + HA GLU 41 OK 100 100 - 100 - 4.2=100 Peak 3743 from cnoeabs.peaks (2.46, 4.26, 58.07 ppm; 4.97 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 41 + HA GLU 41 OK 100 100 - 100 - 4.2=100 Peak 3744 from cnoeabs.peaks (8.72, 1.95, 28.25 ppm; 4.30 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 41 + HB2 GLU 41 OK 100 100 - 100 - 4.0=100 H GLU 41 + HB3 GLU 41 OK 100 100 - 100 - 4.0=100 Peak 3745 from cnoeabs.peaks (4.26, 1.95, 28.25 ppm; 4.23 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 41 + HB2 GLU 41 OK 100 100 - 100 - 3.0=100 HA GLU 41 + HB3 GLU 41 OK 100 100 - 100 - 3.0=100 Peak 3746 from cnoeabs.peaks (1.95, 1.95, 28.25 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 41 + HB2 GLU 41 OK 100 100 - 100 HB3 GLU 41 + HB3 GLU 41 OK 100 100 - 100 Peak 3747 from cnoeabs.peaks (1.95, 1.95, 28.25 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 GLU 41 + HB2 GLU 41 OK 100 100 - 100 HB3 GLU 41 + HB3 GLU 41 OK 100 100 - 100 Reference assignment not found: HB3 GLU 41 - HB2 GLU 41 Peak 3748 from cnoeabs.peaks (2.13, 1.95, 28.25 ppm; 3.78 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 41 + HB2 GLU 41 OK 100 100 - 100 - 3.0=100 HG2 GLU 41 + HB3 GLU 41 OK 100 100 - 100 - 3.0=100 Peak 3749 from cnoeabs.peaks (2.46, 1.95, 28.25 ppm; 4.05 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 41 + HB2 GLU 41 OK 100 100 - 100 - 3.0=100 HG3 GLU 41 + HB3 GLU 41 OK 100 100 - 100 - 3.0=100 Peak 3750 from cnoeabs.peaks (8.72, 1.95, 28.25 ppm; 4.30 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 41 + HB3 GLU 41 OK 100 100 - 100 - 4.0=100 H GLU 41 + HB2 GLU 41 OK 100 100 - 100 - 4.0=100 Peak 3751 from cnoeabs.peaks (4.26, 1.95, 28.25 ppm; 4.23 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 41 + HB3 GLU 41 OK 100 100 - 100 - 3.0=100 HA GLU 41 + HB2 GLU 41 OK 100 100 - 100 - 3.0=100 Peak 3752 from cnoeabs.peaks (1.95, 1.95, 28.25 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 GLU 41 + HB3 GLU 41 OK 100 100 - 100 HB2 GLU 41 + HB2 GLU 41 OK 100 100 - 100 Reference assignment not found: HB2 GLU 41 - HB3 GLU 41 Peak 3753 from cnoeabs.peaks (1.95, 1.95, 28.25 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 41 + HB3 GLU 41 OK 100 100 - 100 HB2 GLU 41 + HB2 GLU 41 OK 100 100 - 100 Peak 3754 from cnoeabs.peaks (2.13, 1.95, 28.25 ppm; 3.78 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 41 + HB3 GLU 41 OK 100 100 - 100 - 3.0=100 HG2 GLU 41 + HB2 GLU 41 OK 100 100 - 100 - 3.0=100 Peak 3755 from cnoeabs.peaks (2.46, 1.95, 28.25 ppm; 4.05 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 41 + HB3 GLU 41 OK 100 100 - 100 - 3.0=100 HG3 GLU 41 + HB2 GLU 41 OK 100 100 - 100 - 3.0=100 Peak 3756 from cnoeabs.peaks (8.72, 2.13, 34.90 ppm; 4.65 A): 1 out of 3 assignments used, quality = 0.94: * H GLU 41 + HG2 GLU 41 OK 94 100 - 95 - 4.9=85, 1264/1.8=44...(6) H ARG 105 - HG2 GLU 41 lone 2 73 - 3 - H ASN 50 - HG2 GLU 41 lone 2 100 - 2 - Peak 3757 from cnoeabs.peaks (4.26, 2.13, 34.90 ppm; 4.64 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 41 + HG2 GLU 41 OK 100 100 - 100 - 4.2=100 Peak 3758 from cnoeabs.peaks (1.95, 2.13, 34.90 ppm; 3.59 A): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 41 + HG2 GLU 41 OK 100 100 - 100 - 3.0=100 HB3 GLU 41 + HG2 GLU 41 OK 100 100 - 100 - 3.0=100 Peak 3759 from cnoeabs.peaks (1.95, 2.13, 34.90 ppm; 3.59 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 41 + HG2 GLU 41 OK 100 100 - 100 - 3.0=100 HB2 GLU 41 + HG2 GLU 41 OK 100 100 - 100 - 3.0=100 Peak 3760 from cnoeabs.peaks (2.13, 2.13, 34.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 41 + HG2 GLU 41 OK 100 100 - 100 Peak 3761 from cnoeabs.peaks (2.46, 2.13, 34.90 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 41 + HG2 GLU 41 OK 100 100 - 100 - 1.8=100 Peak 3762 from cnoeabs.peaks (8.72, 2.46, 34.90 ppm; 4.77 A): 1 out of 3 assignments used, quality = 0.97: * H GLU 41 + HG3 GLU 41 OK 97 100 - 97 - 4.9=92, 3756/1.8=39...(7) H ARG 105 - HG3 GLU 41 lone 2 73 - 3 - H ASN 50 - HG3 GLU 41 lone 2 100 - 2 - Peak 3763 from cnoeabs.peaks (4.26, 2.46, 34.90 ppm; 4.81 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 41 + HG3 GLU 41 OK 100 100 - 100 - 4.2=100 Peak 3764 from cnoeabs.peaks (1.95, 2.46, 34.90 ppm; 3.71 A): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 41 + HG3 GLU 41 OK 100 100 - 100 - 3.0=100 HB3 GLU 41 + HG3 GLU 41 OK 100 100 - 100 - 3.0=100 Peak 3765 from cnoeabs.peaks (1.95, 2.46, 34.90 ppm; 3.71 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 41 + HG3 GLU 41 OK 100 100 - 100 - 3.0=100 HB2 GLU 41 + HG3 GLU 41 OK 100 100 - 100 - 3.0=100 Peak 3766 from cnoeabs.peaks (2.13, 2.46, 34.90 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 41 + HG3 GLU 41 OK 100 100 - 100 - 1.8=100 Peak 3767 from cnoeabs.peaks (2.46, 2.46, 34.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 41 + HG3 GLU 41 OK 100 100 - 100 Peak 3768 from cnoeabs.peaks (8.78, 4.38, 57.05 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * H MET 42 + HA MET 42 OK 100 100 - 100 - 3.0=100 Peak 3769 from cnoeabs.peaks (4.38, 4.38, 57.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA MET 42 + HA MET 42 OK 100 100 - 100 Peak 3770 from cnoeabs.peaks (2.19, 4.38, 57.05 ppm; 4.66 A): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 42 + HA MET 42 OK 100 100 - 100 - 3.0=100 Peak 3771 from cnoeabs.peaks (1.95, 4.38, 57.05 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 42 + HA MET 42 OK 100 100 - 100 - 3.0=100 Peak 3772 from cnoeabs.peaks (2.66, 4.38, 57.05 ppm; 4.76 A): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 42 + HA MET 42 OK 100 100 - 100 - 3.9=100 Peak 3773 from cnoeabs.peaks (2.76, 4.38, 57.05 ppm; 5.11 A): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 42 + HA MET 42 OK 100 100 - 100 - 3.9=100 Peak 3774 from cnoeabs.peaks (1.87, 4.38, 57.05 ppm; 3.77 A): 3 out of 11 assignments used, quality = 0.89: * QE MET 42 + HA MET 42 OK 74 100 - 74 - 3804=47, 3805/3.0=16...(8) HG LEU 45 + HA MET 42 OK 51 73 - 70 - 2.1/9435=22, 3.0/8079=16...(11) HG LEU 70 + HA MET 42 OK 15 65 - 23 - ~11365=7, ~9413=6...(5) HG2 ARG 95 - HA MET 42 lone 9 92 - 9 - 4.7/8077=3, 6039/2065=2...(4) HB2 LEU 63 - HA MET 42 lone 8 99 - 8 - 3.1/9416=2, 4.6/8082=1 HB2 LYS 16 - HA MET 42 lone 8 81 - 10 - ~2050=3, ~8060=2...(5) HB3 LYS 16 - HA MET 42 lone 7 77 - 10 - ~2050=3, ~8060=2...(5) QE MET 67 - HA MET 42 lone 3 81 - 3 - 1271/3.0=1 HB3 ARG 118 - HA MET 42 lone 1 99 - 1 - HB2 ARG 105 - HA MET 42 lone 1 94 - 1 - HG LEU 127 - HA MET 42 lone 1 96 - 1 - Peak 3775 from cnoeabs.peaks (8.78, 2.19, 31.25 ppm; 5.50 A): 1 out of 1 assignment used, quality = 1.00: * H MET 42 + HB2 MET 42 OK 100 100 - 100 - 3.9=100 Peak 3776 from cnoeabs.peaks (4.38, 2.19, 31.25 ppm; 5.04 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 42 + HB2 MET 42 OK 100 100 - 100 - 3.0=100 Peak 3777 from cnoeabs.peaks (2.19, 2.19, 31.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 42 + HB2 MET 42 OK 100 100 - 100 Peak 3778 from cnoeabs.peaks (1.95, 2.19, 31.25 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 42 + HB2 MET 42 OK 100 100 - 100 - 1.8=100 Peak 3779 from cnoeabs.peaks (2.66, 2.19, 31.25 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 42 + HB2 MET 42 OK 100 100 - 100 - 3.0=100 Peak 3780 from cnoeabs.peaks (2.76, 2.19, 31.25 ppm; 4.73 A): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 42 + HB2 MET 42 OK 100 100 - 100 - 3.0=100 Peak 3781 from cnoeabs.peaks (1.87, 2.19, 31.25 ppm; 4.42 A): 1 out of 1 assignment used, quality = 1.00: * QE MET 42 + HB2 MET 42 OK 100 100 - 100 - 4.2=100 Peak 3782 from cnoeabs.peaks (8.78, 1.95, 31.25 ppm; 5.38 A): 1 out of 1 assignment used, quality = 1.00: * H MET 42 + HB3 MET 42 OK 100 100 - 100 - 3.9=100 Peak 3783 from cnoeabs.peaks (4.38, 1.95, 31.25 ppm; 4.65 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 42 + HB3 MET 42 OK 100 100 - 100 - 3.0=100 Peak 3784 from cnoeabs.peaks (2.19, 1.95, 31.25 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 42 + HB3 MET 42 OK 100 100 - 100 - 1.8=100 Peak 3785 from cnoeabs.peaks (1.95, 1.95, 31.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 42 + HB3 MET 42 OK 100 100 - 100 Peak 3786 from cnoeabs.peaks (2.66, 1.95, 31.25 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 42 + HB3 MET 42 OK 100 100 - 100 - 3.0=100 Peak 3787 from cnoeabs.peaks (2.76, 1.95, 31.25 ppm; 4.70 A): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 42 + HB3 MET 42 OK 100 100 - 100 - 3.0=100 Peak 3788 from cnoeabs.peaks (1.87, 1.95, 31.25 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * QE MET 42 + HB3 MET 42 OK 100 100 - 100 - 4.2=100 Peak 3789 from cnoeabs.peaks (8.78, 2.66, 32.47 ppm; 4.73 A): 1 out of 5 assignments used, quality = 0.98: * H MET 42 + HG2 MET 42 OK 98 100 - 98 - 5.0=84, 1270/1.8=44...(12) H VAL 29 - HG2 MET 42 OK 27 100 - 27 - 3796/1.8=8, 162/3.0=6...(6) H ILE 5 - HG2 MET 42 lone 5 81 - 6 - 3803/3.3=1, 3796/1.8=1 H ILE 18 - HG2 MET 42 lone 4 98 - 4 - 3796/1.8=1 H ASN 59 - HG2 MET 42 lone 2 77 - 3 - 3803/3.3=1 Peak 3790 from cnoeabs.peaks (4.38, 2.66, 32.47 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 42 + HG2 MET 42 OK 100 100 - 100 - 3.9=100 Peak 3791 from cnoeabs.peaks (2.19, 2.66, 32.47 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 42 + HG2 MET 42 OK 100 100 - 100 - 3.0=100 Peak 3792 from cnoeabs.peaks (1.95, 2.66, 32.47 ppm; 4.53 A): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 42 + HG2 MET 42 OK 100 100 - 100 - 3.0=100 Peak 3793 from cnoeabs.peaks (2.66, 2.66, 32.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 42 + HG2 MET 42 OK 100 100 - 100 Peak 3794 from cnoeabs.peaks (2.76, 2.66, 32.47 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 42 + HG2 MET 42 OK 100 100 - 100 - 1.8=100 Peak 3795 from cnoeabs.peaks (1.87, 2.66, 32.47 ppm; 4.53 A): 1 out of 1 assignment used, quality = 1.00: * QE MET 42 + HG2 MET 42 OK 100 100 - 100 - 3.3=100 Peak 3796 from cnoeabs.peaks (8.78, 2.76, 32.47 ppm; 4.78 A): 1 out of 5 assignments used, quality = 0.98: * H MET 42 + HG3 MET 42 OK 98 100 - 98 - 5.0=87, 1269/1.8=45...(12) H VAL 29 - HG3 MET 42 OK 27 100 - 27 - 3789/1.8=8, 162/3.0=6...(5) H ILE 18 - HG3 MET 42 lone 4 98 - 4 - 3789/1.8=1 H ILE 5 - HG3 MET 42 lone 4 81 - 5 - 3803/3.3=1, 3789/1.8=1 H ASN 59 - HG3 MET 42 lone 2 77 - 3 - 3803/3.3=1 Peak 3797 from cnoeabs.peaks (4.38, 2.76, 32.47 ppm; 5.29 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 42 + HG3 MET 42 OK 100 100 - 100 - 3.9=100 Peak 3798 from cnoeabs.peaks (2.19, 2.76, 32.47 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 42 + HG3 MET 42 OK 100 100 - 100 - 3.0=100 Peak 3799 from cnoeabs.peaks (1.95, 2.76, 32.47 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 42 + HG3 MET 42 OK 100 100 - 100 - 3.0=100 Peak 3800 from cnoeabs.peaks (2.66, 2.76, 32.47 ppm; 3.32 A): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 42 + HG3 MET 42 OK 100 100 - 100 - 1.8=100 Peak 3801 from cnoeabs.peaks (2.76, 2.76, 32.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 42 + HG3 MET 42 OK 100 100 - 100 Peak 3802 from cnoeabs.peaks (1.87, 2.76, 32.47 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: * QE MET 42 + HG3 MET 42 OK 100 100 - 100 - 3.3=100 Peak 3803 from cnoeabs.peaks (8.78, 1.87, 17.86 ppm; 4.58 A): 2 out of 5 assignments used, quality = 0.93: * H MET 42 + QE MET 42 OK 91 100 - 91 - 6.1=42, 3.0/3804=38...(11) H VAL 29 + QE MET 42 OK 22 100 - 22 - 3789/3.3=6, 3796/3.3=6...(6) H ILE 5 - QE MET 42 lone 5 81 - 7 - 7313/10736=1, 10999/11532=1 H ASN 59 - QE MET 42 lone 5 77 - 6 - 4.5/9596=2, 4.5/9601=1 H ILE 18 - QE MET 42 lone 4 98 - 4 - Peak 3804 from cnoeabs.peaks (4.38, 1.87, 17.86 ppm; 3.56 A): 1 out of 3 assignments used, quality = 0.62: * HA MET 42 + QE MET 42 OK 62 100 - 62 - 5.4=28, 3.0/3805=14...(8) HA SER 72 - QE MET 42 lone 3 65 - 4 - 3.6/9407=3 HA GLU 48 - QE MET 42 lone 1 92 - 1 - Peak 3805 from cnoeabs.peaks (2.19, 1.87, 17.86 ppm; 3.90 A): 3 out of 11 assignments used, quality = 0.93: * HB2 MET 42 + QE MET 42 OK 88 100 - 88 - 4.2=78, 3.0/3804=30...(7) HB2 MET 67 + QE MET 42 OK 32 87 - 37 - 3.0/9424=16, 3.0/9427=15...(7) HG3 GLU 66 + QE MET 42 OK 11 99 - 11 - 1.8/9427=5, 5.0/1444=2...(4) HB2 GLU 69 - QE MET 42 lone 7 92 - 8 - 4.6/9407=5 HB2 GLN 85 - QE MET 42 lone 3 65 - 5 - 3.0/9427=1, 3.0/9427=1 HB3 MET 1 - QE MET 42 lone 2 97 - 2 - HB3 GLU 37 - QE MET 42 lone 2 73 - 2 - HG3 GLN 28 - QE MET 42 lone 2 90 - 2 - HB2 GLN 100 - QE MET 42 lone 1 61 - 2 - HB2 GLU 98 - QE MET 42 lone 1 87 - 1 - HG2 GLU 48 - QE MET 42 lone 1 90 - 1 - Peak 3806 from cnoeabs.peaks (1.95, 1.87, 17.86 ppm; 5.05 A): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 42 + QE MET 42 OK 100 100 - 100 - 4.2=100 Peak 3807 from cnoeabs.peaks (2.66, 1.87, 17.86 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 42 + QE MET 42 OK 100 100 - 100 - 3.3=100 Peak 3808 from cnoeabs.peaks (2.76, 1.87, 17.86 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 42 + QE MET 42 OK 100 100 - 100 - 3.3=100 Peak 3809 from cnoeabs.peaks (1.87, 1.87, 17.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE MET 42 + QE MET 42 OK 100 100 - 100 Peak 3810 from cnoeabs.peaks (7.50, 4.09, 59.39 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 43 + HA LYS 43 OK 100 100 - 100 - 3.0=100 Peak 3811 from cnoeabs.peaks (4.09, 4.09, 59.39 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HA LYS 43 + HA LYS 43 OK 100 100 - 100 HA GLU 91 - HA GLU 91 OK 20 20 - 100 Peak 3812 from cnoeabs.peaks (1.91, 4.09, 59.39 ppm; 2.91 A): 2 out of 40 assignments used, quality = 1.00: * HB2 LYS 43 + HA LYS 43 OK 96 100 - 96 - 3.0=90, 3.0/3814=12...(19) HB3 LYS 43 + HA LYS 43 OK 94 98 - 96 - 3.0=90, 3.0/3814=12...(19) HB3 LYS 44 - HA LYS 43 OK 29 100 - 29 - 4.0/252=12, 3821=4...(8) HB2 LYS 44 - HA LYS 43 OK 29 99 - 29 - 4.0/252=12, 3821=4...(8) HB2 LYS 20 - HA LYS 43 OK 20 70 - 29 - 2.9/3814=6, 2.9/3073=5...(9) HB3 LYS 20 - HA LYS 43 OK 20 70 - 29 - 2.9/3814=6, 2.9/3073=5...(9) HB2 LEU 45 - HA LYS 43 OK 13 100 - 13 - 4.3/2070=9, 1284/3.6=1 HB2 LYS 96 - HA LYS 43 lone 7 98 - 7 - 3920/3.6=2 HB2 LYS 73 - HA LYS 43 lone 6 87 - 7 - HB3 LYS 73 - HA LYS 43 lone 6 84 - 7 - HB3 LYS 123 - HA LYS 43 lone 2 97 - 2 - HB2 ARG 95 - HA LYS 43 lone 2 92 - 2 - HB3 LYS 17 - HA LYS 43 lone 1 77 - 1 - HB2 ARG 95 - HA GLU 91 lone 1 26 - 3 - 7229/3.6=2 HB ILE 71 - HA LYS 43 lone 1 90 - 1 - HB2 GLU 128 - HA LYS 43 lone 0 98 - 0 - HB2 GLU 128 - HA GLU 91 lone 0 30 - 2 - 7229/3.6=1 HB2 LEU 81 - HA LYS 43 lone 0 87 - 0 - HB ILE 15 - HA LYS 43 lone 0 96 - 0 - HB2 LYS 49 - HA LYS 43 lone 0 96 - 0 - HB ILE 7 - HA LYS 43 lone 0 77 - 0 - HG2 MET 121 - HA LYS 43 lone 0 92 - 0 - HB2 LEU 45 - HA GLU 91 lone 0 31 - 1 - HB3 LYS 44 - HA GLU 91 lone 0 32 - 1 - HB2 LYS 96 - HA GLU 91 lone 0 30 - 1 - HB2 LYS 43 - HA GLU 91 lone 0 32 - 1 - HB2 LYS 44 - HA GLU 91 lone 0 31 - 1 - HB3 LYS 43 - HA GLU 91 lone 0 30 - 1 - HG2 MET 121 - HA GLU 91 lone 0 26 - 1 - HB3 LYS 20 - HA GLU 91 lone 0 17 - 1 - HB2 LYS 20 - HA GLU 91 lone 0 17 - 1 - HB3 LYS 123 - HA GLU 91 lone 0 29 - 0 - HB ILE 15 - HA GLU 91 lone 0 28 - 0 - HB ILE 7 - HA GLU 91 lone 0 20 - 0 - HB2 LEU 81 - HA GLU 91 lone 0 24 - 0 - HB ILE 71 - HA GLU 91 lone 0 25 - 0 - HB2 LYS 73 - HA GLU 91 lone 0 24 - 0 - HB3 LYS 73 - HA GLU 91 lone 0 23 - 0 - HB2 LYS 49 - HA GLU 91 lone 0 28 - 0 - HB3 LYS 17 - HA GLU 91 lone 0 20 - 0 - Peak 3813 from cnoeabs.peaks (1.90, 4.09, 59.39 ppm; 2.91 A): 2 out of 40 assignments used, quality = 1.00: * HB3 LYS 43 + HA LYS 43 OK 96 100 - 96 - 3.0=90, 3.0/3814=12...(19) HB2 LYS 43 + HA LYS 43 OK 94 98 - 96 - 3.0=90, 3.0/3814=12...(19) HB3 LYS 44 - HA LYS 43 OK 28 99 - 28 - 4.0/252=12, 3821=4...(8) HB2 LYS 44 - HA LYS 43 OK 26 92 - 29 - 4.0/252=12, 3821=4...(8) HB3 LYS 20 - HA LYS 43 OK 26 90 - 29 - 2.9/3814=6, 2.9/3073=5...(9) HB2 LYS 20 - HA LYS 43 OK 26 90 - 29 - 2.9/3814=6, 2.9/3073=5...(9) HB2 LEU 45 - HA LYS 43 OK 13 100 - 13 - 4.3/2070=9, 1285/3.6=1 HB2 LYS 96 - HA LYS 43 lone 7 100 - 7 - 7503/3.6=2 HB2 LYS 73 - HA LYS 43 lone 7 98 - 7 - HB3 LYS 73 - HA LYS 43 lone 7 97 - 7 - HG LEU 45 - HA LYS 43 poor 6 61 - 10 - 4.9/8084=7 HB2 ARG 95 - HA LYS 43 lone 2 99 - 2 - HB3 LYS 123 - HA LYS 43 lone 2 84 - 2 - HB2 ARG 95 - HA GLU 91 lone 1 31 - 3 - 7229/3.6=2 HB ILE 71 - HA LYS 43 lone 1 99 - 1 - HB2 GLU 128 - HA GLU 91 lone 1 32 - 2 - 7229/3.6=1 HB2 GLU 128 - HA LYS 43 lone 0 100 - 0 - HB ILE 7 - HA LYS 43 lone 0 94 - 0 - HB2 LYS 49 - HA LYS 43 lone 0 100 - 0 - HB ILE 15 - HA LYS 43 lone 0 81 - 0 - HB2 LEU 81 - HA LYS 43 lone 0 65 - 0 - HB2 LYS 96 - HA GLU 91 lone 0 32 - 1 - HB2 LEU 45 - HA GLU 91 lone 0 31 - 1 - HB3 LYS 43 - HA GLU 91 lone 0 32 - 1 - HB3 LYS 44 - HA GLU 91 lone 0 30 - 1 - HB2 LYS 43 - HA GLU 91 lone 0 30 - 1 - HG2 MET 121 - HA LYS 43 lone 0 73 - 0 - HB2 LYS 44 - HA GLU 91 lone 0 26 - 1 - HB2 LYS 20 - HA GLU 91 lone 0 25 - 1 - HB3 LYS 20 - HA GLU 91 lone 0 25 - 1 - HG2 MET 121 - HA GLU 91 lone 0 19 - 1 - HB ILE 7 - HA GLU 91 lone 0 27 - 0 - HG LEU 45 - HA GLU 91 lone 0 15 - 1 - HB ILE 71 - HA GLU 91 lone 0 30 - 0 - HB2 LYS 73 - HA GLU 91 lone 0 30 - 0 - HB3 LYS 73 - HA GLU 91 lone 0 29 - 0 - HB2 LYS 49 - HA GLU 91 lone 0 32 - 0 - HB3 LYS 123 - HA GLU 91 lone 0 23 - 0 - HB ILE 15 - HA GLU 91 lone 0 21 - 0 - HB2 LEU 81 - HA GLU 91 lone 0 16 - 0 - Peak 3814 from cnoeabs.peaks (1.51, 4.09, 59.39 ppm; 3.22 A): 2 out of 22 assignments used, quality = 0.90: * HG2 LYS 43 + HA LYS 43 OK 82 100 - 82 - 3.9=54, 1.8/3815=17...(18) HG2 LYS 20 + HA LYS 43 OK 41 97 - 42 - 3063=12, 1.8/3073=8...(12) HB3 LEU 14 - HA LYS 43 lone 5 77 - 6 - 3.1/9168=2, 3.1/9169=1 QB ALA 124 - HA LYS 43 lone 3 94 - 3 - HD3 LYS 17 - HA LYS 43 lone 2 99 - 2 - HG LEU 38 - HA LYS 43 lone 2 96 - 2 - 1276/3.0=1 HB2 LEU 6 - HA LYS 43 lone 1 99 - 1 - HG LEU 6 - HA LYS 43 lone 1 97 - 1 - HB2 LYS 61 - HA LYS 43 lone 1 99 - 1 - HB3 ARG 30 - HA LYS 43 lone 1 100 - 1 - QB ALA 124 - HA GLU 91 lone 1 27 - 2 - ~1967=1 HG2 ARG 30 - HA LYS 43 lone 0 73 - 1 - HG LEU 38 - HA GLU 91 lone 0 28 - 1 - HG2 LYS 20 - HA GLU 91 lone 0 29 - 1 - HG2 LYS 43 - HA GLU 91 lone 0 32 - 1 - HG LEU 6 - HA GLU 91 lone 0 29 - 1 - HB2 LEU 6 - HA GLU 91 lone 0 30 - 0 - HB3 ARG 30 - HA GLU 91 lone 0 32 - 0 - HG2 ARG 30 - HA GLU 91 lone 0 19 - 1 - HD3 LYS 17 - HA GLU 91 lone 0 31 - 0 - HB3 LEU 14 - HA GLU 91 lone 0 20 - 0 - HB2 LYS 61 - HA GLU 91 lone 0 31 - 0 - Peak 3815 from cnoeabs.peaks (1.37, 4.09, 59.39 ppm; 3.64 A): 1 out of 14 assignments used, quality = 0.95: * HG3 LYS 43 + HA LYS 43 OK 95 100 - 95 - 3.9=79, 1.8/3814=24...(20) HG2 LYS 94 - HA LYS 43 OK 25 100 - 25 - 3851=5, 3.0/8085=4...(9) HG2 LYS 40 - HA LYS 43 OK 21 94 - 23 - 1277/3.0=6, 3851=4...(7) HG2 LYS 94 - HA GLU 91 poor 9 32 - 28 - 3.0/8194=6, 3.0/8196=5...(9) HG LEU 14 - HA LYS 43 lone 8 96 - 8 - 2.1/9168=3, 2.1/9169=2...(4) HB3 LEU 68 - HA LYS 43 lone 5 90 - 5 - 4.6/8084=2, 256/3.6=1 HB3 LEU 81 - HA LYS 43 lone 1 81 - 1 - HG2 LYS 77 - HA LYS 43 lone 0 77 - 1 - HG3 LYS 43 - HA GLU 91 lone 0 32 - 1 - HG2 LYS 40 - HA GLU 91 lone 0 27 - 1 - HG LEU 14 - HA GLU 91 lone 0 28 - 1 - HB3 LEU 68 - HA GLU 91 lone 0 25 - 1 - HB3 LEU 81 - HA GLU 91 lone 0 21 - 1 - HG2 LYS 77 - HA GLU 91 lone 0 20 - 1 - Peak 3816 from cnoeabs.peaks (1.68, 4.09, 59.39 ppm; 3.41 A): 2 out of 36 assignments used, quality = 0.95: * HD2 LYS 43 + HA LYS 43 OK 79 100 - 79 - 4.8=36, 2.9/3814=17...(16) HD3 LYS 43 + HA LYS 43 OK 78 99 - 78 - 4.8=36, 2.9/3814=17...(16) HD3 LYS 20 - HA LYS 43 OK 38 96 - 40 - 3.0/3814=8, 3.0/3073=7...(13) HD2 LYS 20 - HA LYS 43 OK 37 94 - 40 - 3.0/3814=8, 3.0/3073=7...(13) HD3 LYS 73 - HA LYS 43 OK 19 99 - 19 - 3861=2, 3846/3.9=1...(5) HD2 LYS 73 - HA LYS 43 OK 19 98 - 19 - 3861=2, 3846/3.9=1...(5) HD3 LYS 40 - HA LYS 43 OK 15 100 - 15 - 2.9/3815=3, ~1277=2...(4) HD2 LYS 40 - HA LYS 43 OK 15 100 - 15 - 2.9/3815=3, ~1277=2...(4) HD3 LYS 96 - HA LYS 43 OK 12 99 - 12 - HD2 LYS 96 - HA LYS 43 OK 12 100 - 11 - HG3 ARG 95 - HA LYS 43 lone 3 100 - 3 - HD2 LYS 17 - HA LYS 43 lone 3 100 - 3 - HD2 LYS 16 - HA LYS 43 lone 2 97 - 2 - HD3 LYS 16 - HA LYS 43 lone 2 92 - 2 - HG3 ARG 95 - HA GLU 91 lone 1 31 - 5 - 11662/4.2=4 HB ILE 56 - HA LYS 43 lone 1 92 - 1 - HD2 LYS 96 - HA GLU 91 lone 1 32 - 2 - HD3 LYS 96 - HA GLU 91 lone 1 31 - 2 - HG12 ILE 71 - HA LYS 43 lone 0 77 - 1 - HB ILE 54 - HA LYS 43 lone 0 100 - 0 - HD3 LYS 115 - HA LYS 43 lone 0 61 - 1 - HB ILE 54 - HA GLU 91 lone 0 31 - 1 - HB ILE 56 - HA GLU 91 lone 0 26 - 1 - HD3 LYS 20 - HA GLU 91 lone 0 28 - 1 - HD2 LYS 16 - HA GLU 91 lone 0 29 - 1 - HD2 LYS 43 - HA GLU 91 lone 0 32 - 1 - HD2 LYS 20 - HA GLU 91 lone 0 27 - 1 - HD3 LYS 43 - HA GLU 91 lone 0 30 - 1 - HD3 LYS 16 - HA GLU 91 lone 0 26 - 1 - HD3 LYS 40 - HA GLU 91 lone 0 32 - 1 - HD2 LYS 40 - HA GLU 91 lone 0 31 - 1 - HD3 LYS 73 - HA GLU 91 lone 0 30 - 1 - HD2 LYS 17 - HA GLU 91 lone 0 32 - 1 - HD2 LYS 73 - HA GLU 91 lone 0 30 - 1 - HD3 LYS 115 - HA GLU 91 lone 0 15 - 1 - HG12 ILE 71 - HA GLU 91 lone 0 20 - 0 - Peak 3817 from cnoeabs.peaks (1.68, 4.09, 59.39 ppm; 3.41 A): 2 out of 42 assignments used, quality = 0.95: * HD3 LYS 43 + HA LYS 43 OK 79 100 - 79 - 4.8=36, 2.9/3814=17...(17) HD2 LYS 43 + HA LYS 43 OK 78 99 - 79 - 4.8=36, 2.9/3814=17...(16) HD3 LYS 20 - HA LYS 43 OK 40 100 - 40 - 3.0/3814=8, 3.0/3073=7...(13) HD2 LYS 20 - HA LYS 43 OK 40 99 - 40 - 3.0/3814=8, 3.0/3073=7...(13) HD3 LYS 73 - HA LYS 43 OK 19 100 - 19 - 3861=2, 3846/3.9=1...(5) HD2 LYS 73 - HA LYS 43 OK 19 100 - 19 - 3083=2, 3847/3.9=1...(5) HD2 LYS 40 - HA LYS 43 OK 15 100 - 15 - 2.9/3815=3, ~1277=2...(4) HD3 LYS 40 - HA LYS 43 OK 15 100 - 15 - 2.9/3815=3, ~1277=2...(4) HD3 LYS 96 - HA LYS 43 OK 12 100 - 12 - 1288/3.6=1 HD2 LYS 44 - HA LYS 43 OK 12 70 - 18 - 6.4/252=7, 3.7/3812=2 HD2 LYS 96 - HA LYS 43 OK 11 100 - 11 - HD3 LYS 44 - HA LYS 43 OK 11 61 - 18 - 6.4/252=7, 3.7/3812=2 HG3 LYS 39 - HA LYS 43 lone 4 77 - 5 - HG3 ARG 95 - HA LYS 43 lone 3 96 - 3 - HD2 LYS 17 - HA LYS 43 lone 3 100 - 3 - HD2 LYS 16 - HA LYS 43 lone 2 100 - 2 - HD3 LYS 16 - HA LYS 43 lone 2 99 - 2 - HG3 LYS 123 - HA LYS 43 lone 2 77 - 2 - HB ILE 56 - HA LYS 43 lone 1 99 - 1 - HG3 ARG 95 - HA GLU 91 lone 1 28 - 4 - 11662/4.2=3 HD3 LYS 96 - HA GLU 91 lone 1 32 - 2 - HD2 LYS 96 - HA GLU 91 lone 1 31 - 2 - HG12 ILE 71 - HA LYS 43 lone 1 92 - 1 - HB ILE 54 - HA LYS 43 lone 0 100 - 0 - HB ILE 56 - HA GLU 91 lone 0 30 - 1 - HB ILE 54 - HA GLU 91 lone 0 32 - 1 - HD3 LYS 20 - HA GLU 91 lone 0 31 - 1 - HD2 LYS 20 - HA GLU 91 lone 0 31 - 1 - HD2 LYS 16 - HA GLU 91 lone 0 32 - 1 - HD3 LYS 43 - HA GLU 91 lone 0 32 - 1 - HD2 LYS 43 - HA GLU 91 lone 0 30 - 1 - HD3 LYS 16 - HA GLU 91 lone 0 30 - 1 - HD2 LYS 44 - HA GLU 91 lone 0 17 - 1 - HD3 LYS 44 - HA GLU 91 lone 0 15 - 1 - HD2 LYS 40 - HA GLU 91 lone 0 32 - 1 - HD3 LYS 40 - HA GLU 91 lone 0 31 - 1 - HD3 LYS 73 - HA GLU 91 lone 0 32 - 1 - HD2 LYS 73 - HA GLU 91 lone 0 32 - 1 - HD2 LYS 17 - HA GLU 91 lone 0 31 - 0 - HG12 ILE 71 - HA GLU 91 lone 0 26 - 0 - HG3 LYS 39 - HA GLU 91 lone 0 20 - 0 - HG3 LYS 123 - HA GLU 91 lone 0 20 - 0 - Peak 3820 from cnoeabs.peaks (7.50, 1.91, 31.96 ppm; 3.23 A): 2 out of 7 assignments used, quality = 0.97: * H LYS 43 + HB2 LYS 43 OK 84 100 - 84 - 4.0=53, 1888/4.7=15...(20) H LYS 43 + HB3 LYS 43 OK 80 96 - 84 - 4.0=53, 1888/4.7=15...(18) H LYS 43 - HB3 LYS 44 OK 38 97 - 40 - 1888/4.0=20, 1274=6...(9) H LYS 43 - HB2 LYS 44 OK 37 94 - 40 - 1888/4.0=20, 1274=6...(9) H LYS 43 - HB2 LYS 96 lone 7 90 - 8 - 4.6/7502=1, 8063/8064=1, 1274=1 H LYS 43 - HB2 LYS 73 lone 4 57 - 6 - H LYS 43 - HB3 LYS 73 lone 3 52 - 6 - Peak 3821 from cnoeabs.peaks (4.09, 1.91, 31.96 ppm; 2.68 A): 2 out of 35 assignments used, quality = 0.97: * HA LYS 43 + HB2 LYS 43 OK 86 100 - 86 - 3.0=71, 3814/3.0=10...(19) HA LYS 43 + HB3 LYS 43 OK 82 96 - 86 - 3.0=71, 3814/3.0=10...(19) HA LYS 43 - HB3 LYS 44 OK 23 97 - 24 - 252/4.0=10, 3812=3...(6) HA LYS 43 - HB2 LYS 44 OK 22 94 - 24 - 252/4.0=10, 3812=3...(7) HA LYS 20 - HB2 LYS 43 OK 16 100 - 16 - 3841/3.0=4, 3851/3.0=2...(6) HA LYS 20 - HB3 LYS 43 OK 15 96 - 16 - 3841/3.0=4, 3851/3.0=2...(6) HA LYS 20 - HB2 LYS 73 poor 8 56 - 14 - 3037/2.9=3, 3034/1.8=2...(5) HA LYS 20 - HB3 LYS 73 poor 7 52 - 14 - 3037/2.9=3, 3034/1.8=2...(5) HA LYS 43 - HB2 LYS 96 lone 5 90 - 6 - 3.6/7502=1 HA ASP 110 - HB2 LYS 43 lone 3 97 - 4 - 3841/3.0=1 HA LYS 43 - HB2 LYS 73 lone 4 57 - 6 - HA ASP 110 - HB3 LYS 43 lone 3 90 - 4 - 3841/3.0=1 HA LYS 43 - HB3 LYS 73 lone 3 52 - 6 - HA LYS 20 - HB2 LYS 96 lone 3 90 - 3 - HA LYS 20 - HB3 LYS 44 lone 1 97 - 1 - HA LYS 20 - HB2 LYS 44 lone 1 94 - 1 - HA GLU 91 - HB3 LYS 44 lone 1 71 - 1 - HA GLU 91 - HB2 LYS 44 lone 1 68 - 1 - HA GLU 91 - HB2 LYS 96 lone 1 64 - 1 - HA GLU 91 - HB2 LYS 43 lone 1 77 - 1 - HA GLU 91 - HB3 LYS 43 lone 0 70 - 1 - HA ASP 110 - HB2 LYS 96 lone 0 84 - 0 - HA ASP 110 - HB3 LYS 44 lone 0 92 - 0 - HA ASP 110 - HB2 LYS 44 lone 0 89 - 0 - HA GLN 62 - HB2 LYS 43 lone 0 70 - 0 - HA GLN 62 - HB3 LYS 43 lone 0 62 - 0 - HA GLN 62 - HB2 LYS 96 lone 0 57 - 0 - HA GLN 62 - HB3 LYS 44 lone 0 63 - 0 - HA ASP 110 - HB2 LYS 73 lone 0 52 - 0 - HA GLN 62 - HB2 LYS 44 lone 0 60 - 0 - HA ASP 110 - HB3 LYS 73 lone 0 48 - 0 - HA GLU 91 - HB2 LYS 73 lone 0 37 - 0 - HA GLU 91 - HB3 LYS 73 lone 0 34 - 0 - HA GLN 62 - HB2 LYS 73 lone 0 32 - 0 - HA GLN 62 - HB3 LYS 73 lone 0 30 - 0 - Peak 3822 from cnoeabs.peaks (1.91, 1.91, 31.96 ppm; diagonal): 5 out of 7 assignments used, quality = 1.00: * HB2 LYS 43 + HB2 LYS 43 OK 100 100 - 100 HB3 LYS 44 + HB3 LYS 44 OK 97 97 - 100 HB2 LYS 44 + HB2 LYS 44 OK 92 92 - 100 HB3 LYS 43 + HB3 LYS 43 OK 92 92 - 100 HB2 LYS 96 + HB2 LYS 96 OK 86 86 - 100 HB2 LYS 73 - HB2 LYS 73 OK 43 43 - 100 HB3 LYS 73 - HB3 LYS 73 OK 38 38 - 100 Peak 3823 from cnoeabs.peaks (1.90, 1.91, 31.96 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: HB2 LYS 43 + HB2 LYS 43 OK 98 98 - 100 HB3 LYS 43 + HB3 LYS 43 OK 96 96 - 100 HB3 LYS 44 + HB3 LYS 44 OK 94 94 - 100 HB2 LYS 96 + HB2 LYS 96 OK 90 90 - 100 HB2 LYS 44 + HB2 LYS 44 OK 83 83 - 100 HB2 LYS 73 + HB2 LYS 73 OK 53 53 - 100 HB3 LYS 73 + HB3 LYS 73 OK 48 48 - 100 Reference assignment not found: HB3 LYS 43 - HB2 LYS 43 Peak 3824 from cnoeabs.peaks (1.51, 1.91, 31.96 ppm; 2.92 A): 2 out of 77 assignments used, quality = 1.00: * HG2 LYS 43 + HB2 LYS 43 OK 99 100 - 99 - 3.0=97, 3814/3.0=12...(19) HG2 LYS 43 + HB3 LYS 43 OK 94 96 - 99 - 3.0=97, 3814/3.0=12...(19) HG2 LYS 20 - HB2 LYS 43 OK 25 97 - 26 - 3814/3.0=6, 1276/4.0=3...(6) HG2 LYS 20 - HB3 LYS 43 OK 23 90 - 26 - 3814/3.0=6, 1276/4.0=3...(6) HG2 LYS 43 - HB3 LYS 44 lone 9 97 - 10 - 4.9/3820=1, 3.9/3812=1 HG2 LYS 43 - HB2 LYS 44 lone 9 94 - 10 - 4.9/3820=1, 3.9/3812=1 HG2 LYS 20 - HB2 LYS 73 poor 8 52 - 16 - ~5128=1, 3068/3.8=1, 3069/3.8=1 HG2 LYS 43 - HB2 LYS 96 lone 8 90 - 9 - HG2 LYS 43 - HB2 LYS 73 poor 8 57 - 14 - 3846/3.8=1, 3846/3.8=1 HG2 LYS 20 - HB2 LYS 96 lone 8 84 - 9 - HG2 LYS 20 - HB3 LYS 73 poor 7 48 - 16 - ~5128=1, 3068/3.8=1, 3069/3.8=1 HG2 LYS 43 - HB3 LYS 73 poor 7 52 - 14 - 3846/3.8=1, 3846/3.8=1 QB ALA 124 - HB2 LYS 43 lone 5 94 - 5 - QB ALA 124 - HB3 LYS 43 lone 4 87 - 5 - HG LEU 38 - HB2 LYS 96 lone 3 83 - 4 - 7469/4.6=2 QB ALA 124 - HB2 LYS 44 lone 3 85 - 3 - QB ALA 124 - HB3 LYS 44 lone 3 88 - 3 - HG2 LYS 20 - HB3 LYS 44 lone 2 92 - 3 - HG2 LYS 20 - HB2 LYS 44 lone 2 89 - 3 - QB ALA 124 - HB2 LYS 73 lone 2 49 - 5 - HB3 LEU 14 - HB2 LYS 43 lone 2 77 - 3 - QB ALA 124 - HB3 LYS 73 lone 2 45 - 5 - HD3 LYS 17 - HB2 LYS 43 lone 2 99 - 2 - HB3 LEU 14 - HB3 LYS 43 lone 2 70 - 3 - QB ALA 124 - HB2 LYS 96 lone 2 81 - 2 - HD3 LYS 17 - HB3 LYS 43 lone 2 94 - 2 - HG LEU 38 - HB2 LYS 43 lone 2 96 - 2 - HG LEU 38 - HB3 LYS 43 lone 2 89 - 2 - HB2 LEU 6 - HB2 LYS 43 lone 1 99 - 1 - HD3 LYS 17 - HB3 LYS 44 lone 1 95 - 1 - HD3 LYS 17 - HB2 LYS 44 lone 1 92 - 1 - HB2 LEU 6 - HB3 LYS 43 lone 1 93 - 1 - HD3 LYS 17 - HB2 LYS 96 lone 1 88 - 1 - HB2 LEU 6 - HB2 LYS 96 lone 1 87 - 1 - HG LEU 6 - HB2 LYS 43 lone 1 97 - 1 - HG LEU 6 - HB3 LYS 43 lone 1 90 - 1 - HG LEU 38 - HB3 LYS 44 lone 1 90 - 1 - HG LEU 6 - HB2 LYS 96 lone 1 84 - 1 - HG LEU 38 - HB2 LYS 44 lone 1 87 - 1 - HB3 ARG 30 - HB2 LYS 43 lone 0 100 - 0 - HB2 LYS 61 - HB2 LYS 43 lone 0 99 - 0 - HD3 LYS 17 - HB2 LYS 73 lone 0 55 - 1 - HB3 LEU 14 - HB3 LYS 44 lone 0 71 - 1 - HB3 ARG 30 - HB3 LYS 43 lone 0 96 - 0 - HB2 LEU 6 - HB3 LYS 44 lone 0 94 - 0 - HB2 LYS 61 - HB3 LYS 43 lone 0 94 - 0 - HB3 LEU 14 - HB2 LYS 44 lone 0 68 - 1 - HB2 LEU 6 - HB2 LYS 73 lone 0 54 - 1 - HB2 LEU 6 - HB2 LYS 44 lone 0 91 - 0 - HB3 ARG 30 - HB2 LYS 96 lone 0 90 - 0 - HD3 LYS 17 - HB3 LYS 73 lone 0 51 - 1 - HB2 LEU 6 - HB3 LYS 73 lone 0 50 - 1 - HG LEU 38 - HB2 LYS 73 lone 0 50 - 1 - HG LEU 6 - HB3 LYS 44 lone 0 92 - 0 - HG LEU 38 - HB3 LYS 73 lone 0 46 - 1 - HG2 ARG 30 - HB2 LYS 43 lone 0 73 - 0 - HG2 ARG 30 - HB3 LYS 44 lone 0 67 - 0 - HG LEU 6 - HB2 LYS 44 lone 0 89 - 0 - HG2 ARG 30 - HB2 LYS 44 lone 0 64 - 0 - HB3 ARG 30 - HB3 LYS 44 lone 0 97 - 0 - HG2 ARG 30 - HB2 LYS 96 lone 0 60 - 0 - HB2 LYS 61 - HB2 LYS 96 lone 0 88 - 0 - HG2 ARG 30 - HB3 LYS 43 lone 0 66 - 0 - HB3 ARG 30 - HB2 LYS 44 lone 0 94 - 0 - HB2 LYS 61 - HB3 LYS 44 lone 0 95 - 0 - HB2 LYS 61 - HB2 LYS 44 lone 0 92 - 0 - HB3 LEU 14 - HB2 LYS 96 lone 0 64 - 0 - HG LEU 6 - HB2 LYS 73 lone 0 52 - 0 - HG LEU 6 - HB3 LYS 73 lone 0 48 - 0 - HB3 ARG 30 - HB2 LYS 73 lone 0 56 - 0 - HB2 LYS 61 - HB2 LYS 73 lone 0 55 - 0 - HB3 ARG 30 - HB3 LYS 73 lone 0 52 - 0 - HB2 LYS 61 - HB3 LYS 73 lone 0 51 - 0 - HB3 LEU 14 - HB2 LYS 73 lone 0 37 - 0 - HB3 LEU 14 - HB3 LYS 73 lone 0 34 - 0 - HG2 ARG 30 - HB2 LYS 73 lone 0 35 - 0 - HG2 ARG 30 - HB3 LYS 73 lone 0 32 - 0 - Peak 3825 from cnoeabs.peaks (1.37, 1.91, 31.96 ppm; 3.03 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 43 + HB2 LYS 43 OK 100 100 - 100 - 3.0=100 HG3 LYS 43 + HB3 LYS 43 OK 96 96 - 100 - 3.0=100 Peak 3826 from cnoeabs.peaks (1.68, 1.91, 31.96 ppm; 2.57 A): 6 out of 126 assignments used, quality = 1.00: HD2 LYS 96 + HB2 LYS 96 OK 70 90 - 78 - 3.4=41, 6097/1.8=8...(36) HD3 LYS 96 + HB2 LYS 96 OK 69 88 - 78 - 3.4=41, 6097/1.8=7...(36) * HD2 LYS 43 + HB2 LYS 43 OK 66 100 - 66 - 3.8=30, 3846/3.0=6...(24) HD3 LYS 43 + HB2 LYS 43 OK 65 99 - 66 - 3.8=30, 3846/3.0=6...(23) HD2 LYS 43 + HB3 LYS 43 OK 63 96 - 66 - 3.8=30, 3846/3.0=6...(24) HD3 LYS 43 + HB3 LYS 43 OK 61 93 - 65 - 3.8=30, 3846/3.0=6...(23) HD3 LYS 73 - HB2 LYS 73 OK 37 54 - 68 - 3.8=30, 5170/2.9=6...(32) HD2 LYS 73 - HB2 LYS 73 OK 36 53 - 68 - 3.8=30, 5170/2.9=6...(32) HD3 LYS 73 - HB3 LYS 73 OK 34 50 - 69 - 3.8=30, 5170/2.9=6...(33) HD2 LYS 73 - HB3 LYS 73 OK 33 49 - 68 - 3.8=30, 5170/2.9=6...(32) HD2 LYS 96 - HB3 LYS 44 OK 33 96 - 35 - 6107/2.9=2, 6126/2.9=1...(5) HD2 LYS 96 - HB2 LYS 44 OK 32 94 - 35 - 6107/2.9=2, 6126/2.9=1...(5) HD3 LYS 96 - HB3 LYS 44 OK 32 95 - 34 - 6107/2.9=2, 6126/2.9=1...(5) HD3 LYS 96 - HB2 LYS 44 OK 31 92 - 34 - 6107/2.9=2, 6126/2.9=1...(5) HD3 LYS 20 - HB2 LYS 43 OK 22 96 - 23 - 3816/3.0=2, 3846/3.0=1...(6) HD2 LYS 20 - HB2 LYS 43 OK 22 94 - 23 - 3816/3.0=2, 3846/3.0=1...(6) HD3 LYS 20 - HB3 LYS 43 OK 20 89 - 22 - 3816/3.0=2, 3846/3.0=1...(6) HD2 LYS 20 - HB3 LYS 43 OK 19 87 - 22 - 3816/3.0=2, 3846/3.0=1...(6) HG3 ARG 95 - HB2 LYS 96 OK 18 89 - 21 - 7792/4.1=3, 6049=3...(7) HD3 LYS 73 - HB2 LYS 43 OK 16 99 - 16 - 3846/3.0=1 HD2 LYS 73 - HB2 LYS 43 OK 16 98 - 16 - 3846/3.0=1 HD3 LYS 73 - HB3 LYS 43 OK 14 93 - 16 - 3846/3.0=1 HD2 LYS 73 - HB3 LYS 43 OK 14 92 - 16 - 3846/3.0=1 HD3 LYS 73 - HB2 LYS 96 OK 12 87 - 13 - 6097/1.8=2 HD2 LYS 73 - HB2 LYS 96 OK 12 86 - 13 - 6097/1.8=2 HD3 LYS 20 - HB2 LYS 96 OK 11 83 - 13 - 6097/1.8=1 HD2 LYS 43 - HB2 LYS 73 OK 11 57 - 20 - 5170/2.9=1, 5187/2.9=1 HD2 LYS 43 - HB2 LYS 96 OK 11 90 - 12 - 6097/1.8=1 HD2 LYS 20 - HB2 LYS 96 OK 11 81 - 13 - 6097/1.8=1 HD3 LYS 43 - HB2 LYS 96 OK 10 87 - 12 - 6097/1.8=1 HD3 LYS 43 - HB2 LYS 73 OK 10 54 - 19 - 5170/2.9=1, 5187/2.9=1 HD3 LYS 40 - HB2 LYS 43 OK 10 100 - 10 - HD2 LYS 40 - HB2 LYS 43 OK 10 100 - 10 - HD2 LYS 43 - HB3 LYS 73 OK 10 52 - 20 - 5170/2.9=1, 5187/2.9=1 HD3 LYS 20 - HB2 LYS 73 poor 10 50 - 19 - 5170/2.9=1, 5187/2.9=1 HD3 LYS 40 - HB3 LYS 43 lone 9 95 - 10 - HD2 LYS 40 - HB3 LYS 43 lone 9 95 - 10 - HD3 LYS 43 - HB3 LYS 73 poor 9 50 - 19 - 5170/2.9=1, 5187/2.9=1 HD2 LYS 20 - HB2 LYS 73 poor 9 49 - 19 - 5170/2.9=1, 5187/2.9=1 HD2 LYS 96 - HB2 LYS 43 lone 9 100 - 9 - HD3 LYS 96 - HB2 LYS 43 lone 9 99 - 9 - HD3 LYS 20 - HB3 LYS 73 poor 9 46 - 19 - 5170/2.9=1, 5187/2.9=1 HG3 ARG 95 - HB3 LYS 44 lone 9 96 - 9 - 6047/4.7=2, 6049=1, 1.8/6041=1 HD2 LYS 96 - HB3 LYS 43 lone 9 95 - 9 - HD2 LYS 20 - HB3 LYS 73 poor 9 45 - 19 - 5170/2.9=1, 5187/2.9=1 HD3 LYS 96 - HB3 LYS 43 lone 8 94 - 9 - HD3 LYS 40 - HB2 LYS 96 lone 8 90 - 9 - 6077/3.0=1 HG3 ARG 95 - HB2 LYS 44 lone 8 93 - 9 - 6047/4.7=2, 6049/1.8=1, 6049=1 HD2 LYS 40 - HB2 LYS 96 lone 8 89 - 9 - 6077/3.0=1 HD2 LYS 43 - HB2 LYS 44 lone 8 94 - 8 - HD2 LYS 43 - HB3 LYS 44 lone 8 97 - 8 - HD3 LYS 43 - HB2 LYS 44 lone 7 91 - 8 - HD3 LYS 43 - HB3 LYS 44 lone 7 94 - 7 - HD3 LYS 73 - HB2 LYS 44 lone 6 91 - 6 - HD2 LYS 73 - HB2 LYS 44 lone 6 90 - 6 - HD3 LYS 73 - HB3 LYS 44 lone 6 94 - 6 - HD2 LYS 73 - HB3 LYS 44 lone 6 93 - 6 - HD2 LYS 96 - HB2 LYS 73 lone 5 56 - 8 - HD3 LYS 96 - HB2 LYS 73 lone 5 55 - 8 - HD2 LYS 96 - HB3 LYS 73 lone 4 52 - 9 - HD3 LYS 96 - HB3 LYS 73 lone 4 51 - 8 - HG3 ARG 95 - HB2 LYS 43 lone 3 100 - 3 - HG3 ARG 95 - HB3 LYS 43 lone 3 95 - 3 - HD3 LYS 40 - HB2 LYS 73 lone 3 56 - 5 - HD2 LYS 40 - HB2 LYS 73 lone 3 56 - 5 - HD2 LYS 16 - HB2 LYS 96 lone 3 84 - 3 - HD3 LYS 20 - HB2 LYS 44 lone 3 87 - 3 - HD3 LYS 20 - HB3 LYS 44 lone 3 90 - 3 - HD2 LYS 20 - HB2 LYS 44 lone 2 85 - 3 - HD2 LYS 20 - HB3 LYS 44 lone 2 88 - 3 - HD3 LYS 40 - HB3 LYS 73 lone 2 52 - 5 - HD2 LYS 40 - HB3 LYS 73 lone 2 51 - 5 - HD3 LYS 16 - HB2 LYS 96 lone 2 78 - 3 - HG3 ARG 95 - HB2 LYS 73 lone 2 56 - 4 - HD2 LYS 16 - HB2 LYS 73 lone 2 52 - 4 - HG3 ARG 95 - HB3 LYS 73 lone 2 51 - 3 - HD2 LYS 16 - HB3 LYS 73 lone 2 48 - 4 - HD3 LYS 16 - HB2 LYS 73 lone 2 47 - 3 - HD3 LYS 40 - HB3 LYS 44 lone 1 96 - 2 - HG12 ILE 71 - HB2 LYS 96 lone 1 64 - 2 - HD3 LYS 16 - HB3 LYS 73 lone 1 43 - 3 - HD2 LYS 17 - HB2 LYS 43 lone 1 100 - 1 - HG12 ILE 71 - HB2 LYS 73 lone 1 37 - 4 - HD2 LYS 17 - HB3 LYS 43 lone 1 95 - 1 - HD3 LYS 40 - HB2 LYS 44 lone 1 94 - 1 - HD2 LYS 40 - HB3 LYS 44 lone 1 96 - 1 - HD2 LYS 17 - HB3 LYS 44 lone 1 96 - 1 - HD2 LYS 16 - HB2 LYS 43 lone 1 97 - 1 - HG12 ILE 71 - HB3 LYS 73 lone 1 34 - 4 - HD2 LYS 16 - HB3 LYS 44 lone 1 92 - 1 - HD2 LYS 17 - HB2 LYS 44 lone 1 94 - 1 - HD2 LYS 40 - HB2 LYS 44 lone 1 93 - 1 - HD2 LYS 16 - HB2 LYS 44 lone 1 89 - 1 - HD2 LYS 16 - HB3 LYS 43 lone 1 90 - 1 - HD3 LYS 16 - HB2 LYS 43 lone 1 92 - 1 - HD3 LYS 16 - HB3 LYS 44 lone 1 86 - 1 - HD3 LYS 16 - HB3 LYS 43 lone 1 84 - 1 - HD3 LYS 16 - HB2 LYS 44 lone 1 83 - 1 - HD2 LYS 17 - HB2 LYS 96 lone 1 90 - 1 - HB ILE 56 - HB2 LYS 96 lone 1 78 - 1 - HG12 ILE 71 - HB3 LYS 44 lone 1 71 - 1 - HG12 ILE 71 - HB2 LYS 44 lone 1 68 - 1 - HB ILE 56 - HB2 LYS 43 lone 0 92 - 0 - HB ILE 56 - HB3 LYS 43 lone 0 84 - 0 - HB ILE 54 - HB2 LYS 96 lone 0 89 - 0 - HD2 LYS 17 - HB2 LYS 73 lone 0 56 - 1 - HD2 LYS 17 - HB3 LYS 73 lone 0 52 - 1 - HB ILE 56 - HB3 LYS 44 lone 0 86 - 0 - HB ILE 54 - HB3 LYS 44 lone 0 96 - 0 - HB ILE 56 - HB2 LYS 44 lone 0 83 - 0 - HG12 ILE 71 - HB2 LYS 43 lone 0 77 - 0 - HB ILE 54 - HB2 LYS 44 lone 0 93 - 0 - HD3 LYS 115 - HB2 LYS 96 lone 0 50 - 1 - HB ILE 54 - HB2 LYS 43 lone 0 100 - 0 - HG12 ILE 71 - HB3 LYS 43 lone 0 70 - 0 - HB ILE 54 - HB3 LYS 43 lone 0 95 - 0 - HB ILE 54 - HB2 LYS 73 lone 0 56 - 0 - HB ILE 56 - HB2 LYS 73 lone 0 47 - 0 - HB ILE 54 - HB3 LYS 73 lone 0 51 - 0 - HD3 LYS 115 - HB2 LYS 43 lone 0 61 - 0 - HB ILE 56 - HB3 LYS 73 lone 0 43 - 0 - HD3 LYS 115 - HB3 LYS 43 lone 0 55 - 0 - HD3 LYS 115 - HB3 LYS 44 lone 0 56 - 0 - HD3 LYS 115 - HB2 LYS 44 lone 0 53 - 0 - HD3 LYS 115 - HB2 LYS 73 lone 0 28 - 0 - HD3 LYS 115 - HB3 LYS 73 lone 0 26 - 0 - Peak 3827 from cnoeabs.peaks (1.68, 1.91, 31.96 ppm; 2.57 A): 7 out of 147 assignments used, quality = 1.00: HD3 LYS 96 + HB2 LYS 96 OK 70 90 - 78 - 3.4=41, 6097/1.8=7...(36) HD2 LYS 96 + HB2 LYS 96 OK 70 89 - 78 - 3.4=41, 6097/1.8=8...(36) * HD3 LYS 43 + HB2 LYS 43 OK 66 100 - 66 - 3.8=30, 3846/3.0=6...(23) HD2 LYS 43 + HB2 LYS 43 OK 65 99 - 66 - 3.8=30, 3846/3.0=6...(24) HD3 LYS 43 + HB3 LYS 43 OK 62 96 - 65 - 3.8=30, 3846/3.0=6...(23) HD2 LYS 43 + HB3 LYS 43 OK 61 93 - 66 - 3.8=30, 3846/3.0=6...(24) HD2 LYS 44 + HB3 LYS 44 OK 46 63 - 72 - 3.7=34, 1.8/3952=4...(36) HD2 LYS 44 - HB2 LYS 44 OK 44 60 - 73 - 3.7=34, 1.8/3952=4...(36) HD3 LYS 44 - HB3 LYS 44 OK 41 56 - 73 - 3.7=34, 1.8/3952=4...(36) HD3 LYS 44 - HB2 LYS 44 OK 39 53 - 73 - 3.7=34, 1.8/3952=4...(36) HD3 LYS 73 - HB2 LYS 73 OK 39 57 - 69 - 3.8=30, 5170/2.9=6...(33) HD2 LYS 73 - HB2 LYS 73 OK 39 56 - 68 - 3.8=30, 5170/2.9=6...(33) HD3 LYS 73 - HB3 LYS 73 OK 36 52 - 69 - 3.8=30, 5170/2.9=6...(33) HD2 LYS 73 - HB3 LYS 73 OK 36 52 - 68 - 3.8=30, 5170/2.9=6...(33) HD2 LYS 96 - HB3 LYS 44 OK 33 96 - 34 - 6107/2.9=2, 6126/2.9=1...(5) HD3 LYS 96 - HB3 LYS 44 OK 32 97 - 34 - 6107/2.9=2, 6126/2.9=1...(5) HD2 LYS 96 - HB2 LYS 44 OK 32 93 - 35 - 6107/2.9=2, 6126/2.9=1...(5) HD3 LYS 96 - HB2 LYS 44 OK 32 94 - 34 - 6107/2.9=2, 6126/2.9=1...(5) HD3 LYS 20 - HB2 LYS 43 OK 23 100 - 23 - 3816/3.0=2, 3847/3.0=1...(6) HD2 LYS 20 - HB2 LYS 43 OK 23 99 - 23 - 3816/3.0=2, 3847/3.0=1...(6) HD2 LYS 44 - HB2 LYS 96 OK 21 57 - 38 - 6098/1.8=2, 1.8/3963=2...(14) HD3 LYS 20 - HB3 LYS 43 OK 21 95 - 22 - 3816/3.0=2, 3847/3.0=1...(6) HD2 LYS 20 - HB3 LYS 43 OK 21 94 - 22 - 3816/3.0=2, 3847/3.0=1...(6) HD3 LYS 44 - HB2 LYS 96 OK 19 50 - 38 - 1.8/3953=2, 3953=2...(14) HG3 ARG 95 - HB2 LYS 96 OK 17 83 - 20 - 7792/4.1=3, 6049=3...(7) HD3 LYS 73 - HB2 LYS 43 OK 16 100 - 16 - 3846/3.0=1 HD2 LYS 73 - HB2 LYS 43 OK 16 100 - 16 - 3847/3.0=1 HD3 LYS 73 - HB3 LYS 43 OK 15 96 - 16 - 3846/3.0=1 HD2 LYS 73 - HB3 LYS 43 OK 15 96 - 16 - 3847/3.0=1 HD3 LYS 73 - HB2 LYS 96 OK 12 90 - 13 - 6097/1.8=2 HD2 LYS 73 - HB2 LYS 96 OK 12 90 - 13 - 6097/1.8=2 HD3 LYS 20 - HB2 LYS 96 OK 12 89 - 13 - 6097/1.8=1 HD2 LYS 20 - HB2 LYS 96 OK 12 88 - 13 - 6097/1.8=1 HD3 LYS 43 - HB2 LYS 73 OK 11 57 - 19 - 5170/2.9=1, 5187/2.9=1 HD3 LYS 20 - HB2 LYS 73 OK 11 56 - 19 - 5170/2.9=2, 5177/2.9=1 HD3 LYS 43 - HB2 LYS 96 OK 11 90 - 12 - 6097/1.8=1 HD2 LYS 20 - HB2 LYS 73 OK 11 55 - 19 - 5170/2.9=2, 5177/2.9=1 HD2 LYS 43 - HB2 LYS 73 OK 10 54 - 20 - 5170/2.9=1, 5187/2.9=1 HD2 LYS 43 - HB2 LYS 96 OK 10 87 - 12 - 6097/1.8=1 HD2 LYS 40 - HB2 LYS 43 OK 10 100 - 10 - HD3 LYS 40 - HB2 LYS 43 OK 10 100 - 10 - HD3 LYS 43 - HB3 LYS 73 poor 10 52 - 19 - 5170/2.9=1, 5187/2.9=1 HD3 LYS 20 - HB3 LYS 73 poor 10 51 - 19 - 5170/2.9=2, 5177/2.9=1 HD2 LYS 20 - HB3 LYS 73 poor 10 51 - 19 - 5170/2.9=2, 5177/2.9=1 HD2 LYS 43 - HB3 LYS 73 poor 10 50 - 20 - 5170/2.9=1, 5187/2.9=1 HD2 LYS 40 - HB3 LYS 43 poor 10 95 - 10 - HD3 LYS 40 - HB3 LYS 43 lone 9 95 - 10 - HD3 LYS 96 - HB2 LYS 43 lone 9 100 - 9 - HD2 LYS 96 - HB2 LYS 43 lone 9 100 - 9 - HD3 LYS 96 - HB3 LYS 43 lone 9 96 - 9 - HD2 LYS 96 - HB3 LYS 43 lone 8 95 - 9 - HG3 LYS 123 - HB3 LYS 44 poor 9 71 - 12 - 2.9/7120=2, 2.9/7130=2 HD3 LYS 40 - HB2 LYS 96 lone 8 89 - 9 - 6077/3.0=1 HD2 LYS 40 - HB2 LYS 96 lone 8 90 - 9 - 6077/3.0=1 HG3 LYS 123 - HB2 LYS 44 poor 8 68 - 12 - 2.9/7120=2, 2.9/7130=2 HG3 ARG 95 - HB3 LYS 44 lone 8 90 - 9 - 6047/4.7=2, 6049=1, 1.8/6041=1 HG3 ARG 95 - HB2 LYS 44 lone 8 87 - 9 - 6047/4.7=2, 6049/1.8=1 HD2 LYS 43 - HB2 LYS 44 lone 8 91 - 8 - HD3 LYS 43 - HB2 LYS 44 lone 7 94 - 8 - HD2 LYS 43 - HB3 LYS 44 lone 7 94 - 8 - HD3 LYS 43 - HB3 LYS 44 lone 7 97 - 8 - HD2 LYS 73 - HB2 LYS 44 lone 6 94 - 7 - HD2 LYS 44 - HB2 LYS 43 lone 6 70 - 9 - 3950/4.7=2 HD3 LYS 73 - HB2 LYS 44 lone 6 94 - 7 - HD2 LYS 73 - HB3 LYS 44 lone 6 97 - 6 - HD3 LYS 73 - HB3 LYS 44 lone 6 97 - 6 - HD2 LYS 44 - HB3 LYS 43 lone 6 62 - 9 - 3950/4.7=2 HD3 LYS 44 - HB2 LYS 43 lone 6 61 - 9 - 3950/4.7=2 HG3 LYS 39 - HB2 LYS 96 lone 6 64 - 9 - 7476/4.1=2, 3598/4.6=1 HD3 LYS 44 - HB3 LYS 43 lone 5 55 - 9 - 3950/4.7=2 HD3 LYS 96 - HB2 LYS 73 lone 5 56 - 8 - HD2 LYS 96 - HB2 LYS 73 lone 5 56 - 9 - HD3 LYS 96 - HB3 LYS 73 lone 4 52 - 9 - HD2 LYS 96 - HB3 LYS 73 lone 4 51 - 9 - HG3 LYS 39 - HB3 LYS 44 lone 4 71 - 5 - HG3 LYS 39 - HB2 LYS 44 lone 4 68 - 5 - HG3 ARG 95 - HB2 LYS 43 lone 3 96 - 3 - HD3 LYS 20 - HB2 LYS 44 lone 3 93 - 3 - HG3 ARG 95 - HB3 LYS 43 lone 3 89 - 3 - HD2 LYS 20 - HB2 LYS 44 lone 3 92 - 3 - HD3 LYS 20 - HB3 LYS 44 lone 3 96 - 3 - HD2 LYS 20 - HB3 LYS 44 lone 3 95 - 3 - HD2 LYS 16 - HB2 LYS 96 lone 3 90 - 3 - HG3 LYS 123 - HB2 LYS 96 lone 3 64 - 4 - HD2 LYS 40 - HB2 LYS 73 lone 3 56 - 5 - HD3 LYS 40 - HB2 LYS 73 lone 3 56 - 5 - HD3 LYS 16 - HB2 LYS 96 lone 3 87 - 3 - HD2 LYS 40 - HB3 LYS 73 lone 2 52 - 5 - HD3 LYS 40 - HB3 LYS 73 lone 2 51 - 5 - HD2 LYS 16 - HB2 LYS 73 lone 2 56 - 4 - HD3 LYS 16 - HB2 LYS 73 lone 2 54 - 4 - HG3 LYS 123 - HB2 LYS 43 lone 2 77 - 2 - HG12 ILE 71 - HB2 LYS 73 lone 2 47 - 4 - HD2 LYS 16 - HB3 LYS 73 lone 2 52 - 4 - HG12 ILE 71 - HB2 LYS 96 lone 2 78 - 2 - HG3 ARG 95 - HB2 LYS 73 lone 2 50 - 3 - HG12 ILE 71 - HB3 LYS 73 lone 2 43 - 4 - HD3 LYS 16 - HB3 LYS 73 lone 2 50 - 3 - HG3 LYS 123 - HB3 LYS 43 lone 2 70 - 2 - HG3 ARG 95 - HB3 LYS 73 lone 2 46 - 3 - HG3 LYS 39 - HB2 LYS 43 lone 2 77 - 2 - HD2 LYS 40 - HB3 LYS 44 lone 2 96 - 2 - HD3 LYS 40 - HB3 LYS 44 lone 1 96 - 2 - HD2 LYS 16 - HB3 LYS 44 lone 1 96 - 1 - HD2 LYS 17 - HB2 LYS 43 lone 1 100 - 1 - HD2 LYS 40 - HB2 LYS 44 lone 1 94 - 1 - HD2 LYS 16 - HB2 LYS 44 lone 1 94 - 1 - HD2 LYS 16 - HB2 LYS 43 lone 1 100 - 1 - HG3 LYS 39 - HB3 LYS 43 lone 1 70 - 2 - HD3 LYS 40 - HB2 LYS 44 lone 1 93 - 1 - HD2 LYS 17 - HB3 LYS 43 lone 1 95 - 1 - HD2 LYS 17 - HB3 LYS 44 lone 1 96 - 1 - HD3 LYS 16 - HB2 LYS 43 lone 1 99 - 1 - HD2 LYS 16 - HB3 LYS 43 lone 1 95 - 1 - HD2 LYS 17 - HB2 LYS 44 lone 1 93 - 1 - HD3 LYS 16 - HB3 LYS 44 lone 1 94 - 1 - HD3 LYS 16 - HB2 LYS 44 lone 1 91 - 1 - HD3 LYS 16 - HB3 LYS 43 lone 1 93 - 1 - HD2 LYS 44 - HB2 LYS 73 lone 1 32 - 3 - HD2 LYS 44 - HB3 LYS 73 lone 1 30 - 3 - HD3 LYS 44 - HB2 LYS 73 lone 1 28 - 3 - HG12 ILE 71 - HB3 LYS 44 lone 1 86 - 1 - HD3 LYS 44 - HB3 LYS 73 lone 1 26 - 3 - HD2 LYS 17 - HB2 LYS 96 lone 1 89 - 1 - HG12 ILE 71 - HB2 LYS 44 lone 1 83 - 1 - HB ILE 56 - HB2 LYS 96 lone 1 87 - 1 - HB ILE 56 - HB2 LYS 43 lone 1 99 - 1 - HB ILE 56 - HB3 LYS 43 lone 0 93 - 1 - HB ILE 54 - HB2 LYS 96 lone 0 90 - 0 - HG3 LYS 39 - HB2 LYS 73 lone 0 37 - 1 - HB ILE 56 - HB3 LYS 44 lone 0 94 - 0 - HG12 ILE 71 - HB2 LYS 43 lone 0 92 - 0 - HB ILE 56 - HB2 LYS 44 lone 0 91 - 0 - HG12 ILE 71 - HB3 LYS 43 lone 0 84 - 0 - HD2 LYS 17 - HB2 LYS 73 lone 0 56 - 1 - HG3 LYS 123 - HB2 LYS 73 lone 0 37 - 1 - HG3 LYS 39 - HB3 LYS 73 lone 0 34 - 1 - HB ILE 54 - HB3 LYS 44 lone 0 96 - 0 - HD2 LYS 17 - HB3 LYS 73 lone 0 51 - 1 - HB ILE 54 - HB2 LYS 44 lone 0 94 - 0 - HB ILE 54 - HB2 LYS 43 lone 0 100 - 0 - HB ILE 54 - HB3 LYS 43 lone 0 95 - 0 - HG3 LYS 123 - HB3 LYS 73 lone 0 34 - 1 - HB ILE 56 - HB2 LYS 73 lone 0 54 - 0 - HB ILE 54 - HB2 LYS 73 lone 0 56 - 0 - HB ILE 54 - HB3 LYS 73 lone 0 52 - 0 - HB ILE 56 - HB3 LYS 73 lone 0 50 - 0 - Peak 3828 from cnoeabs.peaks (2.98, 1.91, 31.96 ppm; 3.81 A): 8 out of 98 assignments used, quality = 1.00: * HE2 LYS 43 + HB2 LYS 43 OK 89 100 - 89 - 4.7=54, 3848/3.0=8...(49) HE3 LYS 43 + HB2 LYS 43 OK 88 99 - 89 - 4.7=54, 3848/3.0=8...(47) HE2 LYS 43 + HB3 LYS 43 OK 85 96 - 89 - 4.7=54, 3848/3.0=8...(47) HE3 LYS 43 + HB3 LYS 43 OK 82 93 - 88 - 4.7=54, 3848/3.0=8...(45) HE2 LYS 73 + HB2 LYS 73 OK 50 56 - 90 - 4.9=47, 5197/2.9=10...(43) HE3 LYS 73 + HB2 LYS 73 OK 49 56 - 89 - 4.9=47, 5197/2.9=10...(39) HE2 LYS 73 + HB3 LYS 73 OK 46 52 - 89 - 4.9=47, 5197/2.9=10...(43) HE3 LYS 73 + HB3 LYS 73 OK 45 51 - 89 - 4.9=47, 5197/2.9=10...(39) HE2 LYS 73 - HB2 LYS 43 OK 34 100 - 34 - 3848/3.0=3, 3885/3.0=2...(7) HE3 LYS 73 - HB2 LYS 43 OK 32 100 - 33 - 3848/3.0=3, 3885/3.0=2...(8) HE2 LYS 73 - HB3 LYS 43 OK 32 95 - 34 - 3848/3.0=3, 3885/3.0=2...(7) HE3 LYS 73 - HB3 LYS 43 OK 30 95 - 32 - 3848/3.0=3, 3885/3.0=2...(8) HE3 LYS 20 - HB2 LYS 43 OK 25 73 - 34 - 3849/3.0=2, 3.9/3824=2...(9) HE2 LYS 20 - HB2 LYS 43 OK 25 73 - 34 - 3849/3.0=2, 3.9/3824=2...(9) HE2 LYS 43 - HB2 LYS 73 OK 24 57 - 42 - 5197/2.9=4, 5171/2.9=4...(14) HE3 LYS 43 - HB2 LYS 73 OK 22 54 - 41 - 5171/2.9=3, 5197/2.9=3...(13) HE2 LYS 43 - HB3 LYS 73 OK 22 52 - 42 - 5197/2.9=4, 5171/2.9=4...(13) HE2 LYS 20 - HB3 LYS 43 OK 22 66 - 33 - 3849/3.0=2, 3.9/3824=2...(9) HE3 LYS 20 - HB3 LYS 43 OK 22 66 - 33 - 3849/3.0=2, 3.9/3824=2...(9) HE3 LYS 43 - HB3 LYS 73 OK 20 50 - 41 - 5171/2.9=3, 5197/2.9=3...(13) HE2 LYS 40 - HB2 LYS 43 OK 18 87 - 21 - 6.4/8064=2, 3849/3.0=2, ~3849=1 HE3 LYS 40 - HB2 LYS 43 OK 17 81 - 21 - 6.4/8064=2, 3849/3.0=2, ~3849=1 HE2 LYS 40 - HB3 LYS 43 OK 16 79 - 20 - 3849/3.0=2, 6.4/8064=2, ~3849=1 HE2 LYS 73 - HB2 LYS 96 OK 16 90 - 18 - ~6097=1, ~6098=1...(4) HE3 LYS 73 - HB2 LYS 96 OK 15 89 - 17 - ~6097=1, ~6098=1...(4) HE3 LYS 40 - HB3 LYS 43 OK 15 73 - 21 - 3849/3.0=2, 6.4/8064=2, ~3849=1 HE3 LYS 39 - HB3 LYS 44 OK 15 97 - 15 - HE2 LYS 39 - HB3 LYS 44 OK 15 97 - 15 - HE2 LYS 43 - HB2 LYS 96 OK 15 90 - 16 - HE2 LYS 43 - HB2 LYS 44 OK 15 94 - 16 - 7.0/3820=1 HE3 LYS 39 - HB2 LYS 44 OK 15 94 - 15 - HE2 LYS 39 - HB2 LYS 44 OK 15 94 - 15 - HE2 LYS 43 - HB3 LYS 44 OK 14 97 - 15 - 7.0/3820=1 HE3 LYS 43 - HB2 LYS 44 OK 14 91 - 15 - 7.0/3820=1 HE3 LYS 43 - HB3 LYS 44 OK 14 94 - 15 - 7.0/3820=1 HE3 LYS 43 - HB2 LYS 96 OK 14 87 - 16 - HE2 LYS 73 - HB2 LYS 44 OK 12 94 - 13 - HE2 LYS 73 - HB3 LYS 44 OK 12 96 - 12 - HE3 LYS 73 - HB2 LYS 44 OK 12 93 - 12 - HE3 LYS 73 - HB3 LYS 44 OK 12 96 - 12 - HE3 LYS 20 - HB2 LYS 73 OK 11 35 - 33 - 5172/2.9=2, 5162/2.9=2...(11) HE2 LYS 20 - HB2 LYS 73 OK 11 35 - 33 - 5172/2.9=2, 5162/2.9=2...(11) HE2 LYS 20 - HB3 LYS 73 OK 10 32 - 33 - 5172/2.9=2, 5162/2.9=2...(11) HE3 LYS 20 - HB3 LYS 73 OK 10 32 - 33 - 5172/2.9=2, 5162/2.9=2...(11) HE3 LYS 20 - HB2 LYS 96 OK 10 60 - 17 - ~6097=1, ~6098=1 HE2 LYS 20 - HB2 LYS 96 OK 10 60 - 17 - ~6097=1, ~6098=1 HE2 LYS 39 - HB2 LYS 96 poor 10 90 - 11 - HE3 LYS 39 - HB2 LYS 96 poor 10 90 - 11 - HE2 LYS 40 - HB2 LYS 96 poor 10 73 - 13 - 6.4/8064=2 HE3 LYS 40 - HB2 LYS 96 poor 8 67 - 13 - 6.4/8064=2 HE3 LYS 39 - HB2 LYS 43 lone 8 100 - 7 - HE2 LYS 39 - HB2 LYS 43 lone 8 100 - 7 - HE3 LYS 39 - HB3 LYS 43 lone 7 96 - 7 - HE2 LYS 39 - HB3 LYS 43 lone 7 96 - 7 - HE3 LYS 39 - HB2 LYS 73 lone 5 56 - 9 - HE2 LYS 39 - HB2 LYS 73 lone 5 56 - 9 - HE2 LYS 40 - HB2 LYS 73 poor 5 43 - 11 - HE3 LYS 39 - HB3 LYS 73 lone 5 52 - 9 - HE2 LYS 39 - HB3 LYS 73 lone 5 52 - 9 - HE3 LYS 40 - HB2 LYS 73 poor 5 39 - 12 - HE2 LYS 40 - HB3 LYS 73 poor 4 40 - 11 - HE3 LYS 40 - HB3 LYS 73 poor 4 36 - 12 - HE2 LYS 20 - HB2 LYS 44 lone 3 64 - 4 - HE3 LYS 20 - HB2 LYS 44 lone 3 64 - 4 - HE2 LYS 20 - HB3 LYS 44 lone 3 67 - 4 - HE3 LYS 20 - HB3 LYS 44 lone 3 67 - 4 - HE2 LYS 40 - HB3 LYS 44 lone 2 80 - 3 - HE2 LYS 40 - HB2 LYS 44 lone 2 77 - 3 - HE3 LYS 40 - HB3 LYS 44 lone 2 74 - 3 - HE3 LYS 40 - HB2 LYS 44 lone 2 71 - 3 - HD3 ARG 118 - HB2 LYS 43 lone 1 94 - 1 - HB3 ASN 24 - HB2 LYS 43 lone 1 84 - 1 - HB2 ASN 24 - HB2 LYS 43 lone 1 84 - 1 - HD3 ARG 118 - HB2 LYS 73 lone 1 49 - 1 - HD3 ARG 118 - HB3 LYS 43 lone 1 87 - 1 - HB2 ASN 24 - HB3 LYS 43 lone 0 76 - 1 - HB3 ASN 24 - HB3 LYS 43 lone 0 76 - 1 - HD3 ARG 118 - HB3 LYS 73 lone 0 45 - 1 - HD3 ARG 118 - HB3 LYS 44 lone 0 88 - 0 - HD3 ARG 118 - HB2 LYS 44 lone 0 85 - 0 - HB3 PHE 51 - HB2 LYS 43 lone 0 84 - 0 - HD3 ARG 118 - HB2 LYS 96 lone 0 81 - 1 - HB2 ASN 24 - HB3 LYS 44 lone 0 77 - 1 - HB3 ASN 24 - HB3 LYS 44 lone 0 77 - 1 - HB3 ASN 24 - HB2 LYS 44 lone 0 74 - 1 - HB2 ASN 24 - HB2 LYS 44 lone 0 74 - 1 - HB3 PHE 51 - HB3 LYS 43 lone 0 76 - 0 - HB3 PHE 51 - HB3 LYS 44 lone 0 77 - 0 - HB3 PHE 51 - HB2 LYS 44 lone 0 74 - 0 - HB3 ASN 24 - HB2 LYS 96 lone 0 70 - 0 - HB2 ASN 24 - HB2 LYS 96 lone 0 70 - 0 - HB3 PHE 51 - HB2 LYS 96 lone 0 70 - 0 - HB2 ASN 24 - HB2 LYS 73 lone 0 41 - 1 - HB3 ASN 24 - HB2 LYS 73 lone 0 41 - 1 - HB3 ASN 24 - HB3 LYS 73 lone 0 38 - 1 - HB2 ASN 24 - HB3 LYS 73 lone 0 38 - 1 - HB3 PHE 51 - HB2 LYS 73 lone 0 41 - 1 - HB3 PHE 51 - HB3 LYS 73 lone 0 38 - 1 - Peak 3829 from cnoeabs.peaks (2.98, 1.91, 31.96 ppm; 3.81 A): 7 out of 98 assignments used, quality = 1.00: * HE3 LYS 43 + HB2 LYS 43 OK 89 100 - 89 - 4.7=54, 3.9/3824=8...(47) HE2 LYS 43 + HB2 LYS 43 OK 88 99 - 89 - 4.7=54, 3848/3.0=8...(49) HE3 LYS 43 + HB3 LYS 43 OK 84 96 - 88 - 4.7=54, 3848/3.0=7...(45) HE2 LYS 43 + HB3 LYS 43 OK 83 93 - 89 - 4.7=54, 3848/3.0=8...(47) HE3 LYS 73 + HB2 LYS 73 OK 50 56 - 89 - 4.9=47, 5197/2.9=9...(39) HE2 LYS 73 + HB2 LYS 73 OK 46 52 - 89 - 4.9=47, 5197/2.9=10...(43) HE3 LYS 73 + HB3 LYS 73 OK 46 52 - 89 - 4.9=47, 5197/2.9=9...(39) HE2 LYS 73 - HB3 LYS 73 OK 42 48 - 89 - 4.9=47, 5197/2.9=10...(43) HE2 LYS 73 - HB2 LYS 43 OK 33 97 - 34 - 3848/3.0=3, 3885/3.0=2...(6) HE3 LYS 73 - HB2 LYS 43 OK 32 100 - 32 - 3848/3.0=2, ~3848=2...(7) HE2 LYS 20 - HB2 LYS 43 OK 30 90 - 34 - 3849/3.0=2, 3.9/3824=2...(9) HE3 LYS 20 - HB2 LYS 43 OK 30 90 - 34 - 3849/3.0=2, 3.9/3824=2...(9) HE3 LYS 73 - HB3 LYS 43 OK 30 95 - 32 - 3848/3.0=2, ~3848=2...(7) HE2 LYS 73 - HB3 LYS 43 OK 30 90 - 33 - 3848/3.0=3, 3885/3.0=2...(6) HE2 LYS 20 - HB3 LYS 43 OK 27 82 - 33 - 3849/3.0=2, 3.9/3824=2...(9) HE3 LYS 20 - HB3 LYS 43 OK 27 82 - 33 - 3849/3.0=2, 3.9/3824=2...(9) HE3 LYS 43 - HB2 LYS 73 OK 23 57 - 41 - 5172/2.9=3, 5197/2.9=3...(12) HE2 LYS 43 - HB2 LYS 73 OK 23 54 - 42 - 5197/2.9=4, 5172/2.9=3...(13) HE3 LYS 43 - HB3 LYS 73 OK 21 52 - 41 - 5172/2.9=3, 5197/2.9=3...(12) HE2 LYS 43 - HB3 LYS 73 OK 21 50 - 42 - 5197/2.9=4, 5172/2.9=3...(13) HE2 LYS 40 - HB2 LYS 43 OK 20 97 - 21 - 3849/3.0=2, 6.4/8064=2, ~3849=1 HE3 LYS 40 - HB2 LYS 43 OK 20 94 - 21 - 3849/3.0=2, 6.4/8064=2, ~3849=1 HE2 LYS 40 - HB3 LYS 43 OK 18 90 - 20 - 3849/3.0=2, 6.4/8064=2, ~3849=1 HE3 LYS 40 - HB3 LYS 43 OK 18 87 - 21 - 3849/3.0=2, 6.4/8064=2, ~3849=1 HE3 LYS 73 - HB2 LYS 96 OK 15 90 - 17 - ~6097=1, ~6098=1...(4) HE2 LYS 73 - HB2 LYS 96 OK 15 84 - 18 - ~6097=1, ~6098=1...(4) HE2 LYS 20 - HB2 LYS 73 OK 15 45 - 33 - 5172/2.9=2, 5162/2.9=2...(11) HE3 LYS 20 - HB2 LYS 73 OK 15 45 - 33 - 5172/2.9=2, 5162/2.9=2...(11) HE2 LYS 39 - HB3 LYS 44 OK 15 95 - 15 - HE3 LYS 43 - HB2 LYS 96 OK 15 90 - 16 - HE3 LYS 43 - HB2 LYS 44 OK 15 94 - 15 - 7.0/3820=1 HE3 LYS 43 - HB3 LYS 44 OK 14 97 - 15 - 7.0/3820=1 HE3 LYS 39 - HB3 LYS 44 OK 14 93 - 15 - HE2 LYS 43 - HB2 LYS 96 OK 14 87 - 16 - HE2 LYS 39 - HB2 LYS 44 OK 14 92 - 15 - HE2 LYS 43 - HB2 LYS 44 OK 14 91 - 16 - 7.0/3820=1 HE2 LYS 43 - HB3 LYS 44 OK 14 94 - 15 - 7.0/3820=1 HE3 LYS 39 - HB2 LYS 44 OK 14 90 - 15 - HE3 LYS 20 - HB3 LYS 73 OK 13 41 - 33 - 5172/2.9=2, 5162/2.9=2...(11) HE2 LYS 20 - HB3 LYS 73 OK 13 41 - 33 - 5172/2.9=2, 5162/2.9=2...(11) HE2 LYS 20 - HB2 LYS 96 OK 13 76 - 17 - ~6097=1, ~6098=1 HE3 LYS 20 - HB2 LYS 96 OK 13 76 - 17 - ~6097=1, ~6098=1 HE3 LYS 73 - HB2 LYS 44 OK 12 94 - 12 - HE3 LYS 73 - HB3 LYS 44 OK 12 96 - 12 - HE2 LYS 40 - HB2 LYS 96 OK 11 84 - 14 - 6.4/8064=2 HE2 LYS 73 - HB2 LYS 44 OK 11 89 - 12 - HE2 LYS 73 - HB3 LYS 44 OK 11 92 - 12 - HE3 LYS 40 - HB2 LYS 96 OK 10 81 - 13 - 6.4/8064=2 HE2 LYS 39 - HB2 LYS 96 poor 10 88 - 11 - HE3 LYS 39 - HB2 LYS 96 poor 9 86 - 11 - HE2 LYS 39 - HB2 LYS 43 lone 7 99 - 7 - HE3 LYS 39 - HB2 LYS 43 lone 7 98 - 7 - HE2 LYS 39 - HB3 LYS 43 lone 7 94 - 7 - HE3 LYS 39 - HB3 LYS 43 lone 7 92 - 7 - HE2 LYS 40 - HB2 LYS 73 poor 6 52 - 11 - HE3 LYS 40 - HB2 LYS 73 poor 6 49 - 12 - HE2 LYS 40 - HB3 LYS 73 poor 5 48 - 11 - HE3 LYS 40 - HB3 LYS 73 poor 5 45 - 12 - HE2 LYS 39 - HB2 LYS 73 lone 5 55 - 9 - HE3 LYS 39 - HB2 LYS 73 lone 5 53 - 9 - HE2 LYS 39 - HB3 LYS 73 lone 5 51 - 9 - HE3 LYS 39 - HB3 LYS 73 lone 4 49 - 9 - HE2 LYS 20 - HB2 LYS 44 lone 4 80 - 4 - HE3 LYS 20 - HB2 LYS 44 lone 4 80 - 4 - HE3 LYS 20 - HB3 LYS 44 lone 4 83 - 4 - HE2 LYS 20 - HB3 LYS 44 lone 4 83 - 4 - HE2 LYS 40 - HB3 LYS 44 lone 3 92 - 3 - HE3 LYS 40 - HB3 LYS 44 lone 3 88 - 3 - HE2 LYS 40 - HB2 LYS 44 lone 2 89 - 3 - HE3 LYS 40 - HB2 LYS 44 lone 2 85 - 3 - HD3 ARG 118 - HB2 LYS 43 lone 1 99 - 1 - HB3 ASN 24 - HB2 LYS 43 lone 1 96 - 1 - HB2 ASN 24 - HB2 LYS 43 lone 1 96 - 1 - HD3 ARG 118 - HB2 LYS 73 lone 1 55 - 1 - HB3 ASN 24 - HB3 LYS 43 lone 1 89 - 1 - HB2 ASN 24 - HB3 LYS 43 lone 1 89 - 1 - HD3 ARG 118 - HB3 LYS 43 lone 1 94 - 1 - HD3 ARG 118 - HB3 LYS 73 lone 1 51 - 1 - HB3 PHE 51 - HB2 LYS 43 lone 0 96 - 0 - HB3 ASN 24 - HB3 LYS 44 lone 0 90 - 1 - HB2 ASN 24 - HB3 LYS 44 lone 0 90 - 1 - HD3 ARG 118 - HB3 LYS 44 lone 0 95 - 0 - HD3 ARG 118 - HB2 LYS 96 lone 0 88 - 1 - HB2 ASN 24 - HB2 LYS 44 lone 0 87 - 1 - HB3 ASN 24 - HB2 LYS 44 lone 0 87 - 1 - HD3 ARG 118 - HB2 LYS 44 lone 0 92 - 0 - HB3 PHE 51 - HB3 LYS 43 lone 0 89 - 0 - HB3 PHE 51 - HB3 LYS 44 lone 0 90 - 0 - HB3 ASN 24 - HB2 LYS 96 lone 0 83 - 0 - HB2 ASN 24 - HB2 LYS 96 lone 0 83 - 0 - HB3 PHE 51 - HB2 LYS 44 lone 0 87 - 0 - HB3 PHE 51 - HB2 LYS 96 lone 0 83 - 0 - HB2 ASN 24 - HB2 LYS 73 lone 0 50 - 1 - HB3 ASN 24 - HB2 LYS 73 lone 0 50 - 1 - HB3 ASN 24 - HB3 LYS 73 lone 0 46 - 1 - HB2 ASN 24 - HB3 LYS 73 lone 0 46 - 1 - HB3 PHE 51 - HB2 LYS 73 lone 0 50 - 1 - HB3 PHE 51 - HB3 LYS 73 lone 0 46 - 1 - Peak 3830 from cnoeabs.peaks (7.50, 1.90, 31.96 ppm; 3.24 A): 2 out of 9 assignments used, quality = 0.97: * H LYS 43 + HB3 LYS 43 OK 84 100 - 84 - 4.0=54, 1888/4.7=15...(18) H LYS 43 + HB2 LYS 43 OK 81 96 - 84 - 4.0=54, 1888/4.7=15...(20) H LYS 43 - HB3 LYS 44 OK 36 92 - 39 - 1888/4.0=20, 2057/4.7=6...(9) H LYS 43 - HB2 LYS 44 OK 30 77 - 40 - 1888/4.0=20, 2057/4.7=6...(9) H LYS 43 - HB2 LYS 20 OK 22 78 - 28 - 1276/2.9=5, 1275=3...(10) H LYS 43 - HB3 LYS 20 OK 22 78 - 28 - 1276/2.9=5, 1275=3...(10) H LYS 43 - HB2 LYS 96 lone 8 97 - 8 - 4.6/7503=1, 8063/8066=1, 1275=1 H LYS 43 - HB2 LYS 73 lone 5 78 - 6 - H LYS 43 - HB3 LYS 73 lone 5 76 - 6 - Peak 3831 from cnoeabs.peaks (4.09, 1.90, 31.96 ppm; 2.66 A): 4 out of 45 assignments used, quality = 1.00: * HA LYS 43 + HB3 LYS 43 OK 84 100 - 84 - 3.0=69, 3814/3.0=10...(19) HA LYS 43 + HB2 LYS 43 OK 81 96 - 84 - 3.0=69, 3814/3.0=10...(19) HA LYS 20 + HB2 LYS 20 OK 68 78 - 88 - 3.0=70, 3063/2.9=10...(18) HA LYS 20 + HB3 LYS 20 OK 68 78 - 88 - 3.0=70, 3063/2.9=10...(18) HA LYS 43 - HB3 LYS 44 OK 21 92 - 23 - 252/4.0=10, 3812=3...(6) HA LYS 43 - HB2 LYS 20 OK 19 78 - 25 - 3814/2.9=5, 3073/2.9=4...(9) HA LYS 43 - HB3 LYS 20 OK 19 78 - 25 - 3814/2.9=5, 3073/2.9=4...(9) HA LYS 43 - HB2 LYS 44 OK 18 77 - 23 - 252/4.0=10, 3812=3...(7) HA LYS 20 - HB3 LYS 43 OK 16 100 - 16 - 3841/3.0=4, 3034=2...(6) HA LYS 20 - HB2 LYS 43 OK 16 96 - 17 - 3841/3.0=4, 3851/3.0=2...(6) HA LYS 20 - HB2 LYS 73 OK 12 78 - 15 - 3037/2.9=3, 3035=2...(6) HA LYS 20 - HB3 LYS 73 OK 11 75 - 15 - 3037/2.9=3, 3034=2...(6) HA LYS 43 - HB2 LYS 96 lone 6 97 - 6 - 3.6/7503=1 HA LYS 43 - HB2 LYS 73 lone 5 78 - 6 - HA LYS 43 - HB3 LYS 73 lone 5 76 - 6 - HA ASP 110 - HB3 LYS 43 lone 3 97 - 4 - HA ASP 110 - HB2 LYS 43 lone 3 90 - 4 - HA LYS 20 - HB2 LYS 96 lone 3 97 - 3 - HA ASP 110 - HB2 LYS 20 lone 3 72 - 4 - HA ASP 110 - HB3 LYS 20 lone 3 72 - 4 - HA LYS 20 - HB3 LYS 44 lone 1 92 - 1 - HA LYS 20 - HB2 LYS 44 lone 1 76 - 1 - HA GLN 62 - HB2 LYS 20 lone 1 47 - 2 - HA GLN 62 - HB3 LYS 20 lone 1 47 - 2 - HA GLU 91 - HB2 LYS 96 lone 1 71 - 1 - HA GLU 91 - HB3 LYS 44 lone 1 66 - 1 - HA GLU 91 - HB3 LYS 43 lone 1 77 - 1 - HA GLU 91 - HB2 LYS 43 lone 0 70 - 1 - HA GLU 91 - HB2 LYS 44 lone 0 52 - 1 - HA ASP 110 - HB2 LYS 96 lone 0 92 - 0 - HA ASP 110 - HB3 LYS 44 lone 0 87 - 0 - HA GLN 62 - HB3 LYS 43 lone 0 70 - 0 - HA GLN 62 - HB2 LYS 96 lone 0 64 - 0 - HA GLN 62 - HB2 LYS 43 lone 0 62 - 0 - HA GLU 91 - HB3 LYS 20 lone 0 53 - 0 - HA GLU 91 - HB2 LYS 20 lone 0 53 - 0 - HA ASP 110 - HB2 LYS 44 lone 0 71 - 0 - HA ASP 110 - HB2 LYS 73 lone 0 73 - 0 - HA ASP 110 - HB3 LYS 73 lone 0 70 - 0 - HA GLN 62 - HB3 LYS 44 lone 0 59 - 0 - HA GLU 91 - HB2 LYS 73 lone 0 53 - 0 - HA GLU 91 - HB3 LYS 73 lone 0 51 - 0 - HA GLN 62 - HB2 LYS 73 lone 0 47 - 0 - HA GLN 62 - HB3 LYS 73 lone 0 45 - 0 - HA GLN 62 - HB2 LYS 44 lone 0 46 - 0 - Peak 3832 from cnoeabs.peaks (1.91, 1.90, 31.96 ppm; diagonal): 9 out of 9 assignments used, quality = 1.00: HB3 LYS 43 + HB3 LYS 43 OK 98 98 - 100 HB2 LYS 43 + HB2 LYS 43 OK 96 96 - 100 HB2 LYS 96 + HB2 LYS 96 OK 93 93 - 100 HB3 LYS 44 + HB3 LYS 44 OK 92 92 - 100 HB2 LYS 44 + HB2 LYS 44 OK 75 75 - 100 HB2 LYS 73 + HB2 LYS 73 OK 62 62 - 100 HB3 LYS 73 + HB3 LYS 73 OK 57 57 - 100 HB2 LYS 20 + HB2 LYS 20 OK 47 47 - 100 HB3 LYS 20 + HB3 LYS 20 OK 47 47 - 100 Reference assignment not found: HB2 LYS 43 - HB3 LYS 43 Peak 3833 from cnoeabs.peaks (1.90, 1.90, 31.96 ppm; diagonal): 9 out of 9 assignments used, quality = 1.00: * HB3 LYS 43 + HB3 LYS 43 OK 100 100 - 100 HB2 LYS 96 + HB2 LYS 96 OK 97 97 - 100 HB2 LYS 43 + HB2 LYS 43 OK 92 92 - 100 HB3 LYS 44 + HB3 LYS 44 OK 89 89 - 100 HB2 LYS 73 + HB2 LYS 73 OK 74 74 - 100 HB3 LYS 73 + HB3 LYS 73 OK 70 70 - 100 HB2 LYS 44 + HB2 LYS 44 OK 65 65 - 100 HB2 LYS 20 + HB2 LYS 20 OK 64 64 - 100 HB3 LYS 20 + HB3 LYS 20 OK 64 64 - 100 Peak 3834 from cnoeabs.peaks (1.51, 1.90, 31.96 ppm; 2.93 A): 2 out of 2 assignments used, quality = 0.92: HG2 LYS 20 + HB3 LYS 20 OK 72 72 - 100 - 2.9=100 HG2 LYS 20 + HB2 LYS 20 OK 72 72 - 100 - 2.9=100 Reference assignment not found: HG2 LYS 43 - HB3 LYS 43 Peak 3835 from cnoeabs.peaks (1.37, 1.90, 31.96 ppm; 3.07 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 43 + HB3 LYS 43 OK 100 100 - 100 - 3.0=100 HG3 LYS 43 + HB2 LYS 43 OK 96 96 - 100 - 3.0=100 Peak 3836 from cnoeabs.peaks (1.68, 1.90, 31.96 ppm; 2.60 A): 14 out of 162 assignments used, quality = 1.00: HD2 LYS 96 + HB2 LYS 96 OK 76 96 - 79 - 3.4=43, 6097/1.8=8...(36) HD3 LYS 96 + HB2 LYS 96 OK 75 95 - 79 - 3.4=43, 6097/1.8=8...(36) * HD2 LYS 43 + HB3 LYS 43 OK 67 100 - 67 - 3.8=31, 3846/3.0=6...(25) HD3 LYS 43 + HB3 LYS 43 OK 66 99 - 66 - 3.8=31, 3846/3.0=6...(25) HD2 LYS 43 + HB2 LYS 43 OK 64 96 - 67 - 3.8=31, 3846/3.0=6...(25) HD3 LYS 43 + HB2 LYS 43 OK 62 93 - 67 - 3.8=31, 3846/3.0=6...(25) HD3 LYS 20 + HB3 LYS 20 OK 54 70 - 77 - 3.4=43, 3079/2.9=5...(35) HD3 LYS 20 + HB2 LYS 20 OK 54 70 - 77 - 3.4=43, 3079/2.9=5...(35) HD3 LYS 73 + HB2 LYS 73 OK 53 75 - 70 - 3.8=31, 5170/2.9=6...(35) HD2 LYS 20 + HB3 LYS 20 OK 53 68 - 77 - 3.4=43, 3079/2.9=5...(35) HD2 LYS 20 + HB2 LYS 20 OK 53 68 - 77 - 3.4=43, 3079/2.9=5...(35) HD2 LYS 73 + HB2 LYS 73 OK 52 74 - 70 - 3.8=31, 5170/2.9=6...(34) HD3 LYS 73 + HB3 LYS 73 OK 51 73 - 70 - 3.8=31, 5170/2.9=6...(35) HD2 LYS 73 + HB3 LYS 73 OK 50 71 - 70 - 3.8=31, 5170/2.9=6...(35) HD2 LYS 96 - HB3 LYS 44 OK 32 92 - 35 - 6107/2.9=2, 6126/2.9=1...(5) HD3 LYS 96 - HB3 LYS 44 OK 31 91 - 35 - 6107/2.9=2, 6126/2.9=1...(5) HD2 LYS 96 - HB2 LYS 44 OK 27 76 - 36 - 6107/2.9=2, 6126/2.9=1...(5) HD3 LYS 96 - HB2 LYS 44 OK 26 75 - 35 - 6107/2.9=2, 6126/2.9=1...(5) HD3 LYS 20 - HB3 LYS 43 OK 22 96 - 23 - 3816/3.0=2, 3846/3.0=1...(6) HG3 ARG 95 - HB2 LYS 96 OK 22 96 - 23 - 6049=4, 7792/4.1=3...(7) HD2 LYS 43 - HB2 LYS 20 OK 21 78 - 28 - 3069/2.9=2, 3079/2.9=1...(4) HD2 LYS 43 - HB3 LYS 20 OK 21 78 - 28 - 3069/2.9=2, 3079/2.9=1...(4) HD2 LYS 20 - HB3 LYS 43 OK 21 94 - 23 - 3816/3.0=2, 3846/3.0=1...(6) HD3 LYS 20 - HB2 LYS 43 OK 21 89 - 24 - 3816/3.0=2, 3846/3.0=1...(6) HD2 LYS 20 - HB2 LYS 43 OK 20 87 - 24 - 3816/3.0=2, 3846/3.0=1...(6) HD3 LYS 43 - HB2 LYS 20 OK 20 75 - 27 - 3069/2.9=2, 3079/2.9=1...(4) HD3 LYS 43 - HB3 LYS 20 OK 20 75 - 27 - 3069/2.9=2, 3079/2.9=1...(4) HD3 LYS 73 - HB2 LYS 20 OK 20 75 - 27 - 3079/2.9=1, 3069/2.9=1 HD3 LYS 73 - HB3 LYS 20 OK 20 75 - 27 - 3079/2.9=1, 3069/2.9=1 HD2 LYS 73 - HB3 LYS 20 OK 20 74 - 27 - 3079/2.9=1, 3069/2.9=1 HD2 LYS 73 - HB2 LYS 20 OK 20 74 - 27 - 3079/2.9=1, 3069/2.9=1 HD3 LYS 73 - HB3 LYS 43 OK 16 99 - 16 - 3846/3.0=1 HD2 LYS 73 - HB3 LYS 43 OK 16 98 - 16 - 3846/3.0=1 HD2 LYS 43 - HB2 LYS 73 OK 16 78 - 20 - 5170/2.9=1, 5187/2.9=1 HD3 LYS 73 - HB2 LYS 43 OK 16 93 - 17 - 3846/3.0=1 HD2 LYS 73 - HB2 LYS 43 OK 15 92 - 17 - 3846/3.0=1 HD2 LYS 43 - HB3 LYS 73 OK 15 76 - 20 - 5170/2.9=1, 5187/2.9=1 HD3 LYS 43 - HB2 LYS 73 OK 15 75 - 20 - 5170/2.9=1, 5187/2.9=1 HD3 LYS 20 - HB2 LYS 73 OK 14 71 - 20 - 5170/2.9=2, 5187/2.9=1 HD3 LYS 43 - HB3 LYS 73 OK 14 73 - 20 - 5170/2.9=1, 5187/2.9=1 HD2 LYS 20 - HB2 LYS 73 OK 14 69 - 20 - 5170/2.9=2, 5187/2.9=1 HD3 LYS 20 - HB3 LYS 73 OK 14 68 - 20 - 5170/2.9=2, 5187/2.9=1 HD2 LYS 20 - HB3 LYS 73 OK 13 66 - 20 - 5170/2.9=2, 5187/2.9=1 HD3 LYS 73 - HB2 LYS 96 OK 13 94 - 14 - 6097/1.8=2 HD2 LYS 73 - HB2 LYS 96 OK 13 93 - 14 - 6097/1.8=2 HD3 LYS 20 - HB2 LYS 96 OK 12 90 - 14 - 6097/1.8=1 HD2 LYS 20 - HB2 LYS 96 OK 12 88 - 14 - 6097/1.8=1 HD2 LYS 43 - HB2 LYS 96 OK 12 97 - 12 - 6097/1.8=1 HD3 LYS 43 - HB2 LYS 96 OK 11 94 - 12 - 6097/1.8=1 HD3 LYS 40 - HB3 LYS 43 OK 10 100 - 10 - HD2 LYS 40 - HB3 LYS 43 OK 10 100 - 10 - HD3 LYS 40 - HB2 LYS 43 poor 10 95 - 11 - HD2 LYS 40 - HB2 LYS 43 poor 10 95 - 11 - HD3 LYS 40 - HB2 LYS 96 lone 9 96 - 10 - 6077/3.0=1 HD2 LYS 96 - HB3 LYS 43 lone 9 100 - 9 - HD3 LYS 96 - HB3 LYS 43 lone 9 99 - 9 - HD2 LYS 40 - HB2 LYS 96 lone 9 96 - 10 - 6077/3.0=1 HG3 ARG 95 - HB3 LYS 44 lone 9 91 - 10 - 6047/4.7=2, 6049=1, 1.8/6041=1 HD3 LYS 40 - HB2 LYS 20 poor 9 78 - 12 - HD3 LYS 40 - HB3 LYS 20 poor 9 78 - 12 - HD2 LYS 40 - HB3 LYS 20 poor 9 77 - 12 - HD2 LYS 40 - HB2 LYS 20 poor 9 77 - 12 - HD2 LYS 96 - HB2 LYS 43 lone 9 95 - 9 - HD3 LYS 96 - HB2 LYS 43 lone 9 94 - 9 - HD2 LYS 43 - HB3 LYS 44 lone 7 92 - 8 - HD2 LYS 96 - HB3 LYS 20 lone 7 78 - 9 - HD2 LYS 96 - HB2 LYS 20 lone 7 78 - 9 - HD3 LYS 96 - HB2 LYS 20 lone 7 76 - 9 - HD3 LYS 96 - HB3 LYS 20 lone 7 76 - 9 - HG3 ARG 95 - HB2 LYS 44 lone 7 75 - 9 - 6047/4.7=2, 6049=1...(4) HD2 LYS 96 - HB2 LYS 73 lone 7 78 - 9 - HD3 LYS 96 - HB2 LYS 73 lone 7 76 - 9 - HD2 LYS 96 - HB3 LYS 73 lone 7 75 - 9 - HD3 LYS 43 - HB3 LYS 44 lone 7 89 - 7 - HD3 LYS 96 - HB3 LYS 73 lone 7 74 - 9 - HD2 LYS 43 - HB2 LYS 44 lone 6 77 - 8 - HD3 LYS 43 - HB2 LYS 44 lone 6 74 - 8 - HD3 LYS 73 - HB3 LYS 44 lone 6 89 - 6 - HD2 LYS 73 - HB3 LYS 44 lone 5 88 - 6 - HD3 LYS 73 - HB2 LYS 44 lone 5 74 - 7 - HD2 LYS 73 - HB2 LYS 44 lone 5 72 - 7 - HD3 LYS 40 - HB2 LYS 73 lone 4 78 - 5 - HD2 LYS 40 - HB2 LYS 73 lone 4 77 - 5 - HD3 LYS 40 - HB3 LYS 73 lone 4 75 - 5 - HD2 LYS 40 - HB3 LYS 73 lone 4 75 - 5 - HG3 ARG 95 - HB3 LYS 43 lone 4 100 - 4 - HG3 ARG 95 - HB2 LYS 20 lone 4 77 - 5 - HG3 ARG 95 - HB3 LYS 20 lone 4 77 - 5 - HG3 ARG 95 - HB2 LYS 43 lone 3 95 - 3 - HD2 LYS 16 - HB3 LYS 20 lone 3 72 - 4 - HD2 LYS 16 - HB2 LYS 20 lone 3 72 - 4 - HG3 ARG 95 - HB2 LYS 73 lone 3 77 - 4 - HD2 LYS 17 - HB2 LYS 20 lone 3 78 - 4 - 4.8/7996=1 HD2 LYS 17 - HB3 LYS 20 lone 3 78 - 4 - 4.8/7996=1 HG3 ARG 95 - HB3 LYS 73 lone 3 75 - 4 - HD2 LYS 16 - HB2 LYS 96 lone 3 92 - 3 - HD3 LYS 16 - HB3 LYS 20 lone 3 66 - 4 - HD3 LYS 16 - HB2 LYS 20 lone 3 66 - 4 - HD2 LYS 16 - HB2 LYS 73 lone 3 73 - 4 - HD2 LYS 16 - HB3 LYS 73 lone 3 70 - 4 - HD3 LYS 16 - HB2 LYS 96 lone 3 86 - 3 - HD3 LYS 16 - HB2 LYS 73 lone 3 67 - 4 - HD3 LYS 20 - HB3 LYS 44 lone 2 85 - 3 - HD2 LYS 20 - HB3 LYS 44 lone 2 83 - 3 - HD3 LYS 16 - HB3 LYS 73 lone 2 64 - 4 - HG12 ILE 71 - HB2 LYS 73 lone 2 53 - 4 - 4.6/1467=1 HG12 ILE 71 - HB3 LYS 73 lone 2 51 - 4 - 4.6/1467=1 HD3 LYS 20 - HB2 LYS 44 lone 2 69 - 3 - HD2 LYS 20 - HB2 LYS 44 lone 2 67 - 3 - HG12 ILE 71 - HB2 LYS 96 lone 2 71 - 2 - HD2 LYS 17 - HB3 LYS 43 lone 1 100 - 1 - HD3 LYS 40 - HB3 LYS 44 lone 1 92 - 2 - HD2 LYS 40 - HB3 LYS 44 lone 1 91 - 1 - HD2 LYS 16 - HB3 LYS 43 lone 1 97 - 1 - HD2 LYS 17 - HB2 LYS 43 lone 1 95 - 1 - HD2 LYS 16 - HB2 LYS 43 lone 1 90 - 1 - HD2 LYS 16 - HB3 LYS 44 lone 1 87 - 1 - HD3 LYS 40 - HB2 LYS 44 lone 1 76 - 2 - HD2 LYS 17 - HB3 LYS 44 lone 1 92 - 1 - HD3 LYS 16 - HB3 LYS 43 lone 1 92 - 1 - HB ILE 56 - HB2 LYS 20 lone 1 66 - 2 - HB ILE 56 - HB3 LYS 20 lone 1 66 - 2 - HD3 LYS 16 - HB2 LYS 43 lone 1 84 - 1 - HD2 LYS 40 - HB2 LYS 44 lone 1 75 - 1 - HD2 LYS 17 - HB2 LYS 96 lone 1 96 - 1 - HD3 LYS 16 - HB3 LYS 44 lone 1 81 - 1 - HD2 LYS 16 - HB2 LYS 44 lone 1 71 - 1 - HD2 LYS 17 - HB2 LYS 44 lone 1 76 - 1 - HB ILE 56 - HB2 LYS 96 lone 1 86 - 1 - HD3 LYS 16 - HB2 LYS 44 lone 1 65 - 1 - HD2 LYS 17 - HB2 LYS 73 lone 1 78 - 1 - HG12 ILE 71 - HB3 LYS 44 lone 1 66 - 1 - HD2 LYS 17 - HB3 LYS 73 lone 1 75 - 1 - HB ILE 56 - HB3 LYS 43 lone 0 92 - 1 - HB ILE 54 - HB2 LYS 96 lone 0 96 - 0 - HB ILE 56 - HB2 LYS 43 lone 0 84 - 1 - HG12 ILE 71 - HB2 LYS 44 lone 0 52 - 1 - HB ILE 54 - HB3 LYS 20 lone 0 77 - 1 - HB ILE 54 - HB2 LYS 20 lone 0 77 - 1 - HG12 ILE 71 - HB2 LYS 20 lone 0 53 - 1 - HG12 ILE 71 - HB3 LYS 20 lone 0 53 - 1 - HD3 LYS 115 - HB2 LYS 96 lone 0 56 - 1 - HG12 ILE 71 - HB3 LYS 43 lone 0 77 - 0 - HB ILE 56 - HB3 LYS 44 lone 0 81 - 0 - HB ILE 54 - HB3 LYS 44 lone 0 91 - 0 - HB ILE 54 - HB3 LYS 43 lone 0 100 - 0 - HB ILE 54 - HB2 LYS 73 lone 0 77 - 0 - HG12 ILE 71 - HB2 LYS 43 lone 0 70 - 0 - HB ILE 54 - HB2 LYS 43 lone 0 95 - 0 - HB ILE 56 - HB2 LYS 73 lone 0 67 - 0 - HB ILE 54 - HB3 LYS 73 lone 0 75 - 0 - HB ILE 56 - HB3 LYS 73 lone 0 64 - 0 - HB ILE 54 - HB2 LYS 44 lone 0 75 - 0 - HB ILE 56 - HB2 LYS 44 lone 0 65 - 0 - HD3 LYS 115 - HB3 LYS 43 lone 0 61 - 0 - HD3 LYS 115 - HB2 LYS 43 lone 0 55 - 0 - HD3 LYS 115 - HB3 LYS 44 lone 0 52 - 0 - HD3 LYS 115 - HB3 LYS 20 lone 0 41 - 0 - HD3 LYS 115 - HB2 LYS 20 lone 0 41 - 0 - HD3 LYS 115 - HB2 LYS 73 lone 0 41 - 0 - HD3 LYS 115 - HB3 LYS 73 lone 0 39 - 0 - HD3 LYS 115 - HB2 LYS 44 lone 0 40 - 0 - Peak 3837 from cnoeabs.peaks (1.68, 1.90, 31.96 ppm; 2.60 A): 14 out of 189 assignments used, quality = 1.00: HD3 LYS 96 + HB2 LYS 96 OK 76 97 - 79 - 3.4=43, 6097/1.8=8...(36) HD2 LYS 96 + HB2 LYS 96 OK 76 96 - 79 - 3.4=43, 6097/1.8=8...(36) * HD3 LYS 43 + HB3 LYS 43 OK 67 100 - 67 - 3.8=31, 3846/3.0=6...(25) HD2 LYS 43 + HB3 LYS 43 OK 66 99 - 67 - 3.8=31, 3846/3.0=6...(25) HD3 LYS 43 + HB2 LYS 43 OK 64 96 - 67 - 3.8=31, 3846/3.0=6...(25) HD2 LYS 43 + HB2 LYS 43 OK 63 93 - 67 - 3.8=31, 3846/3.0=6...(25) HD3 LYS 20 + HB2 LYS 20 OK 59 77 - 77 - 3.4=43, 3079/2.9=6...(35) HD3 LYS 20 + HB3 LYS 20 OK 59 77 - 77 - 3.4=43, 3079/2.9=6...(35) HD2 LYS 20 + HB2 LYS 20 OK 59 76 - 77 - 3.4=43, 3079/2.9=6...(35) HD2 LYS 20 + HB3 LYS 20 OK 59 76 - 77 - 3.4=43, 3079/2.9=6...(35) HD3 LYS 73 + HB2 LYS 73 OK 55 78 - 70 - 3.8=31, 5170/2.9=6...(35) HD2 LYS 73 + HB2 LYS 73 OK 55 78 - 70 - 3.8=31, 5170/2.9=6...(35) HD3 LYS 73 + HB3 LYS 73 OK 53 76 - 70 - 3.8=31, 5170/2.9=6...(35) HD2 LYS 73 + HB3 LYS 73 OK 53 75 - 70 - 3.8=31, 5170/2.9=6...(35) HD2 LYS 44 - HB3 LYS 44 OK 43 59 - 73 - 3.7=36, 1.8/3953=4...(36) HD3 LYS 44 - HB3 LYS 44 OK 38 52 - 74 - 3.7=36, 1.8/3953=4...(36) HD2 LYS 44 - HB2 LYS 44 OK 34 46 - 74 - 3.7=36, 1.8/3953=4...(37) HD2 LYS 96 - HB3 LYS 44 OK 32 91 - 35 - 6107/2.9=2, 6126/2.9=1...(5) HD3 LYS 96 - HB3 LYS 44 OK 32 92 - 35 - 6107/2.9=2, 6126/2.9=1...(5) HD3 LYS 44 - HB2 LYS 44 OK 30 40 - 74 - 3.7=36, 1.8/3953=4...(37) HD2 LYS 96 - HB2 LYS 44 OK 27 75 - 36 - 6107/2.9=2, 6126/2.9=1...(5) HD3 LYS 96 - HB2 LYS 44 OK 27 76 - 35 - 6107/2.9=2, 6126/2.9=1...(5) HD2 LYS 44 - HB2 LYS 96 OK 25 64 - 39 - 6098/1.8=2, 1.8/3963=2...(15) HD3 LYS 20 - HB3 LYS 43 OK 23 100 - 23 - 3816/3.0=2, 3847/3.0=1...(6) HD2 LYS 20 - HB3 LYS 43 OK 23 99 - 23 - 3816/3.0=2, 3847/3.0=1...(6) HD3 LYS 20 - HB2 LYS 43 OK 22 95 - 24 - 3816/3.0=2, 3847/3.0=1...(6) HD2 LYS 20 - HB2 LYS 43 OK 22 94 - 24 - 3816/3.0=2, 3847/3.0=1...(6) HD3 LYS 44 - HB2 LYS 96 OK 21 56 - 39 - 1.8/3953=2, 3953=2...(15) HD3 LYS 43 - HB3 LYS 20 OK 21 78 - 28 - 3069/2.9=2, 3079/2.9=2...(4) HD3 LYS 43 - HB2 LYS 20 OK 21 78 - 28 - 3069/2.9=2, 3079/2.9=2...(4) HD3 LYS 73 - HB3 LYS 20 OK 21 78 - 28 - 3079/2.9=2, 3069/2.9=2 HD3 LYS 73 - HB2 LYS 20 OK 21 78 - 28 - 3079/2.9=2, 3069/2.9=2 HD2 LYS 73 - HB2 LYS 20 OK 21 78 - 28 - 3079/2.9=2, 3069/2.9=2 HD2 LYS 73 - HB3 LYS 20 OK 21 78 - 28 - 3079/2.9=2, 3069/2.9=2 HD2 LYS 43 - HB3 LYS 20 OK 21 75 - 28 - 3069/2.9=2, 3079/2.9=2...(4) HD2 LYS 43 - HB2 LYS 20 OK 21 75 - 28 - 3069/2.9=2, 3079/2.9=2...(4) HG3 ARG 95 - HB2 LYS 96 OK 20 90 - 22 - 6049=4, 1.8/6041=3...(7) HD3 LYS 73 - HB3 LYS 43 OK 16 100 - 16 - 3846/3.0=1 HD2 LYS 73 - HB3 LYS 43 OK 16 100 - 16 - 3847/3.0=1 HD3 LYS 73 - HB2 LYS 43 OK 16 96 - 17 - 3846/3.0=1 HD2 LYS 73 - HB2 LYS 43 OK 16 96 - 17 - 3847/3.0=1 HD3 LYS 20 - HB2 LYS 73 OK 16 77 - 20 - 5170/2.9=2, 5177/2.9=1 HD2 LYS 20 - HB2 LYS 73 OK 16 76 - 21 - 5170/2.9=2, 5177/2.9=1 HD3 LYS 43 - HB2 LYS 73 OK 15 78 - 20 - 5170/2.9=1, 5187/2.9=1 HD3 LYS 20 - HB3 LYS 73 OK 15 75 - 21 - 5170/2.9=2, 5177/2.9=1 HD2 LYS 43 - HB2 LYS 73 OK 15 75 - 20 - 5170/2.9=1, 5187/2.9=1 HD2 LYS 20 - HB3 LYS 73 OK 15 74 - 21 - 5170/2.9=2, 5177/2.9=1 HD3 LYS 43 - HB3 LYS 73 OK 15 76 - 20 - 5170/2.9=1, 5187/2.9=1 HD2 LYS 43 - HB3 LYS 73 OK 15 73 - 20 - 5170/2.9=1, 5187/2.9=1 HD3 LYS 73 - HB2 LYS 96 OK 14 97 - 14 - 6097/1.8=2 HD2 LYS 73 - HB2 LYS 96 OK 13 97 - 14 - 6097/1.8=2 HD3 LYS 20 - HB2 LYS 96 OK 13 96 - 14 - 6097/1.8=1 HD2 LYS 20 - HB2 LYS 96 OK 13 95 - 14 - 6097/1.8=1 HD3 LYS 43 - HB2 LYS 96 OK 12 97 - 12 - 6097/1.8=1 HD2 LYS 43 - HB2 LYS 96 OK 12 94 - 12 - 6097/1.8=1 HD2 LYS 40 - HB3 LYS 43 OK 10 100 - 10 - HD3 LYS 40 - HB3 LYS 43 OK 10 100 - 10 - HD2 LYS 40 - HB2 LYS 43 OK 10 95 - 11 - HD3 LYS 40 - HB2 LYS 43 poor 10 95 - 10 - HD3 LYS 96 - HB3 LYS 43 lone 10 100 - 10 - HD2 LYS 96 - HB3 LYS 43 lone 9 100 - 9 - HD3 LYS 40 - HB2 LYS 96 lone 9 96 - 10 - 6077/3.0=1 HD2 LYS 40 - HB2 LYS 96 lone 9 96 - 10 - 6077/3.0=1 HD3 LYS 96 - HB2 LYS 43 lone 9 96 - 9 - HD2 LYS 40 - HB3 LYS 20 poor 9 78 - 12 - HD2 LYS 40 - HB2 LYS 20 poor 9 78 - 12 - HD3 LYS 40 - HB2 LYS 20 poor 9 77 - 12 - HD3 LYS 40 - HB3 LYS 20 poor 9 77 - 12 - HD2 LYS 96 - HB2 LYS 43 lone 9 95 - 9 - HG3 ARG 95 - HB3 LYS 44 lone 8 85 - 10 - 6047/4.7=2, 6049=1, 1.8/6041=1 HG3 LYS 123 - HB3 LYS 44 poor 8 66 - 12 - 2.9/7120=2, 2.9/7130=1, ~7120=1 HD3 LYS 96 - HB3 LYS 20 lone 7 78 - 9 - HD3 LYS 96 - HB2 LYS 20 lone 7 78 - 9 - HD2 LYS 96 - HB2 LYS 20 lone 7 77 - 10 - HD2 LYS 96 - HB3 LYS 20 lone 7 77 - 10 - HD2 LYS 43 - HB3 LYS 44 lone 7 89 - 8 - HD3 LYS 43 - HB3 LYS 44 lone 7 92 - 8 - HD3 LYS 96 - HB2 LYS 73 lone 7 78 - 9 - HD2 LYS 96 - HB2 LYS 73 lone 7 77 - 9 - HD3 LYS 96 - HB3 LYS 73 lone 7 75 - 9 - HD2 LYS 96 - HB3 LYS 73 lone 7 75 - 9 - HG3 LYS 39 - HB2 LYS 96 lone 7 71 - 9 - 7476/4.1=2, 3598/4.6=1 HD2 LYS 44 - HB3 LYS 43 lone 7 70 - 9 - 3950/4.7=2 HG3 ARG 95 - HB2 LYS 44 lone 6 69 - 9 - 6047/4.7=2, 6049=1...(4) HD3 LYS 43 - HB2 LYS 44 lone 6 77 - 8 - HD2 LYS 43 - HB2 LYS 44 lone 6 74 - 8 - HD2 LYS 73 - HB3 LYS 44 lone 6 92 - 6 - HD3 LYS 73 - HB3 LYS 44 lone 6 92 - 6 - HG3 LYS 123 - HB2 LYS 44 poor 6 52 - 11 - 2.9/7120=2, 2.9/7130=1 HD2 LYS 44 - HB2 LYS 43 lone 6 62 - 9 - 3950/4.7=2 HD3 LYS 44 - HB3 LYS 43 lone 6 61 - 9 - 3950/4.7=2 HD2 LYS 73 - HB2 LYS 44 lone 5 76 - 7 - HD3 LYS 73 - HB2 LYS 44 lone 5 77 - 7 - HD3 LYS 44 - HB2 LYS 43 lone 5 55 - 9 - 3950/4.7=2 HD2 LYS 40 - HB2 LYS 73 lone 4 78 - 5 - HD3 LYS 40 - HB2 LYS 73 lone 4 77 - 5 - HD2 LYS 40 - HB3 LYS 73 lone 4 75 - 5 - HD3 LYS 40 - HB3 LYS 73 lone 4 75 - 5 - HG3 LYS 39 - HB3 LYS 44 lone 4 66 - 6 - HD2 LYS 16 - HB2 LYS 20 lone 4 78 - 5 - HD2 LYS 16 - HB3 LYS 20 lone 4 78 - 5 - HG3 ARG 95 - HB3 LYS 43 lone 3 96 - 4 - HD3 LYS 16 - HB3 LYS 20 lone 3 75 - 4 - HD3 LYS 16 - HB2 LYS 20 lone 3 75 - 4 - HG3 ARG 95 - HB3 LYS 20 lone 3 70 - 5 - HG3 ARG 95 - HB2 LYS 20 lone 3 70 - 5 - HD2 LYS 16 - HB2 LYS 73 lone 3 78 - 4 - HD2 LYS 17 - HB3 LYS 20 lone 3 77 - 4 - 4.8/7998=1 HD2 LYS 17 - HB2 LYS 20 lone 3 77 - 4 - 4.8/7998=1 HD2 LYS 16 - HB2 LYS 96 lone 3 96 - 3 - HG3 LYS 123 - HB2 LYS 96 lone 3 71 - 4 - HG3 ARG 95 - HB2 LYS 43 lone 3 89 - 3 - HD2 LYS 16 - HB3 LYS 73 lone 3 75 - 4 - HD3 LYS 16 - HB2 LYS 73 lone 3 75 - 4 - HG12 ILE 71 - HB2 LYS 73 lone 3 67 - 4 - 4.6/1467=1 HD3 LYS 16 - HB2 LYS 96 lone 3 94 - 3 - HG3 ARG 95 - HB2 LYS 73 lone 3 71 - 4 - HG3 LYS 39 - HB2 LYS 44 lone 3 52 - 5 - HG12 ILE 71 - HB3 LYS 73 lone 3 64 - 4 - 4.6/1467=1 HD3 LYS 20 - HB3 LYS 44 lone 3 91 - 3 - HD2 LYS 20 - HB3 LYS 44 lone 3 91 - 3 - HD3 LYS 16 - HB3 LYS 73 lone 3 73 - 4 - HG3 ARG 95 - HB3 LYS 73 lone 3 68 - 4 - HD3 LYS 20 - HB2 LYS 44 lone 2 75 - 3 - HD2 LYS 20 - HB2 LYS 44 lone 2 75 - 3 - HG12 ILE 71 - HB2 LYS 96 lone 2 86 - 2 - HG3 LYS 123 - HB3 LYS 43 lone 2 77 - 2 - HD2 LYS 44 - HB2 LYS 73 lone 2 47 - 4 - HD2 LYS 44 - HB3 LYS 73 lone 2 45 - 4 - HG3 LYS 123 - HB2 LYS 43 lone 2 70 - 2 - HG3 LYS 39 - HB3 LYS 43 lone 2 77 - 2 - HD2 LYS 40 - HB3 LYS 44 lone 1 92 - 2 - HD3 LYS 44 - HB2 LYS 73 lone 2 41 - 4 - HD2 LYS 17 - HB3 LYS 43 lone 1 100 - 1 - HD3 LYS 40 - HB3 LYS 44 lone 1 91 - 2 - HD3 LYS 44 - HB3 LYS 73 lone 1 39 - 4 - HG3 LYS 39 - HB2 LYS 43 lone 1 70 - 2 - HD2 LYS 16 - HB3 LYS 44 lone 1 92 - 1 - HD2 LYS 16 - HB3 LYS 43 lone 1 100 - 1 - HD2 LYS 16 - HB2 LYS 43 lone 1 95 - 1 - HD3 LYS 16 - HB3 LYS 43 lone 1 99 - 1 - HB ILE 56 - HB2 LYS 20 lone 1 75 - 2 - HB ILE 56 - HB3 LYS 20 lone 1 75 - 2 - HD3 LYS 16 - HB2 LYS 43 lone 1 93 - 1 - HD2 LYS 40 - HB2 LYS 44 lone 1 76 - 2 - HD2 LYS 17 - HB2 LYS 43 lone 1 95 - 1 - HD3 LYS 16 - HB3 LYS 44 lone 1 89 - 1 - HD3 LYS 40 - HB2 LYS 44 lone 1 75 - 2 - HD2 LYS 17 - HB3 LYS 44 lone 1 91 - 1 - HD2 LYS 16 - HB2 LYS 44 lone 1 76 - 1 - HD2 LYS 17 - HB2 LYS 96 lone 1 96 - 1 - HD3 LYS 16 - HB2 LYS 44 lone 1 74 - 1 - HB ILE 56 - HB2 LYS 96 lone 1 94 - 1 - HD2 LYS 44 - HB3 LYS 20 lone 1 47 - 2 - HD2 LYS 44 - HB2 LYS 20 lone 1 47 - 2 - HD2 LYS 17 - HB2 LYS 44 lone 1 75 - 1 - HG12 ILE 71 - HB3 LYS 44 lone 1 81 - 1 - HD3 LYS 44 - HB2 LYS 20 lone 1 41 - 2 - HD3 LYS 44 - HB3 LYS 20 lone 1 41 - 2 - HG3 LYS 39 - HB2 LYS 20 lone 1 53 - 1 - HG3 LYS 39 - HB3 LYS 20 lone 1 53 - 1 - HG3 LYS 39 - HB2 LYS 73 lone 1 53 - 1 - HG12 ILE 71 - HB2 LYS 44 lone 1 65 - 1 - HD2 LYS 17 - HB2 LYS 73 lone 1 77 - 1 - HG3 LYS 39 - HB3 LYS 73 lone 1 51 - 1 - HD2 LYS 17 - HB3 LYS 73 lone 1 75 - 1 - HB ILE 56 - HB3 LYS 43 lone 1 99 - 1 - HG3 LYS 123 - HB2 LYS 73 lone 1 53 - 1 - HB ILE 56 - HB2 LYS 43 lone 1 93 - 1 - HG12 ILE 71 - HB3 LYS 20 lone 0 66 - 1 - HG12 ILE 71 - HB2 LYS 20 lone 0 66 - 1 - HB ILE 54 - HB2 LYS 96 lone 0 96 - 0 - HB ILE 54 - HB3 LYS 20 lone 0 78 - 1 - HB ILE 54 - HB2 LYS 20 lone 0 78 - 1 - HG12 ILE 71 - HB3 LYS 43 lone 0 92 - 0 - HG3 LYS 123 - HB3 LYS 73 lone 0 51 - 1 - HB ILE 56 - HB3 LYS 44 lone 0 89 - 0 - HG12 ILE 71 - HB2 LYS 43 lone 0 84 - 0 - HB ILE 56 - HB2 LYS 73 lone 0 75 - 0 - HB ILE 54 - HB3 LYS 44 lone 0 92 - 0 - HB ILE 54 - HB3 LYS 43 lone 0 100 - 0 - HB ILE 56 - HB2 LYS 44 lone 0 74 - 0 - HB ILE 54 - HB2 LYS 43 lone 0 95 - 0 - HB ILE 56 - HB3 LYS 73 lone 0 73 - 0 - HB ILE 54 - HB2 LYS 73 lone 0 78 - 0 - HB ILE 54 - HB3 LYS 73 lone 0 75 - 0 - HG3 LYS 123 - HB2 LYS 20 lone 0 53 - 1 - HG3 LYS 123 - HB3 LYS 20 lone 0 53 - 1 - HB ILE 54 - HB2 LYS 44 lone 0 76 - 0 - Peak 3838 from cnoeabs.peaks (2.98, 1.90, 31.96 ppm; 3.87 A): 12 out of 126 assignments used, quality = 1.00: * HE2 LYS 43 + HB3 LYS 43 OK 90 100 - 90 - 4.7=57, 3848/3.0=8...(48) HE3 LYS 43 + HB3 LYS 43 OK 88 99 - 89 - 4.7=57, 3848/3.0=8...(46) HE2 LYS 43 + HB2 LYS 43 OK 87 96 - 90 - 4.7=57, 3848/3.0=8...(50) HE3 LYS 43 + HB2 LYS 43 OK 83 93 - 90 - 4.7=57, 3848/3.0=8...(47) HE2 LYS 73 + HB2 LYS 73 OK 71 78 - 91 - 4.9=50, 5197/2.9=11...(43) HE3 LYS 73 + HB2 LYS 73 OK 69 77 - 90 - 4.9=50, 5197/2.9=10...(39) HE2 LYS 73 + HB3 LYS 73 OK 68 75 - 90 - 4.9=50, 5197/2.9=11...(43) HE3 LYS 73 + HB3 LYS 73 OK 67 75 - 90 - 4.9=50, 5197/2.9=10...(40) HE2 LYS 20 + HB2 LYS 20 OK 45 50 - 91 - 4.8=51, ~3071=5, ~3070=5...(52) HE2 LYS 20 + HB3 LYS 20 OK 45 50 - 91 - 4.8=51, ~3071=5, ~3070=5...(52) HE3 LYS 20 + HB3 LYS 20 OK 45 50 - 91 - 4.8=51, ~3071=5, ~3070=5...(52) HE3 LYS 20 + HB2 LYS 20 OK 45 50 - 91 - 4.8=51, ~3071=5, ~3070=5...(52) HE2 LYS 43 - HB3 LYS 20 OK 39 78 - 51 - 5198/2.9=3, 3884/2.9=3...(23) HE2 LYS 43 - HB2 LYS 20 OK 39 78 - 51 - 5198/2.9=3, 3884/2.9=3...(23) HE2 LYS 73 - HB3 LYS 20 OK 38 78 - 49 - 5198/2.9=3, 3884/2.9=2...(18) HE2 LYS 73 - HB2 LYS 20 OK 38 78 - 49 - 5198/2.9=3, 3884/2.9=2...(18) HE3 LYS 43 - HB3 LYS 20 OK 35 75 - 47 - 5198/2.9=2, 3884/2.9=2...(18) HE3 LYS 43 - HB2 LYS 20 OK 35 75 - 47 - 5198/2.9=2, 3884/2.9=2...(18) HE3 LYS 73 - HB3 LYS 20 OK 35 77 - 45 - 5198/2.9=2, 3884/2.9=2...(17) HE3 LYS 73 - HB2 LYS 20 OK 35 77 - 45 - 5198/2.9=2, 3884/2.9=2...(17) HE2 LYS 73 - HB3 LYS 43 OK 34 100 - 35 - 3848/3.0=3, 3885/3.0=2...(8) HE2 LYS 43 - HB2 LYS 73 OK 34 78 - 44 - 5197/2.9=4, 5171/2.9=4...(14) HE2 LYS 73 - HB2 LYS 43 OK 33 95 - 35 - 3848/3.0=3, 3885/3.0=2...(8) HE3 LYS 73 - HB3 LYS 43 OK 33 100 - 33 - 3848/3.0=3, ~3848=2...(8) HE2 LYS 43 - HB3 LYS 73 OK 33 76 - 43 - 5197/2.9=4, 5171/2.9=4...(14) HE3 LYS 43 - HB2 LYS 73 OK 32 75 - 42 - 5171/2.9=3, 5197/2.9=3...(13) HE3 LYS 73 - HB2 LYS 43 OK 32 95 - 34 - 3848/3.0=3, ~3848=2...(8) HE3 LYS 43 - HB3 LYS 73 OK 30 73 - 42 - 5171/2.9=3, 5197/2.9=3...(13) HE2 LYS 20 - HB3 LYS 43 OK 25 73 - 34 - 3849/3.0=2, 3.9/3824=2...(9) HE3 LYS 20 - HB3 LYS 43 OK 25 73 - 34 - 3849/3.0=2, 3.9/3824=2...(9) HE2 LYS 20 - HB2 LYS 43 OK 23 66 - 35 - 3849/3.0=2, 3.9/3824=2...(9) HE3 LYS 20 - HB2 LYS 43 OK 23 66 - 35 - 3849/3.0=2, 3.9/3824=2...(9) HE2 LYS 40 - HB3 LYS 43 OK 18 87 - 21 - 6.4/8066=2, 3849/3.0=2, ~3849=1 HE2 LYS 73 - HB2 LYS 96 OK 18 96 - 18 - ~6097=1, ~6098=1...(4) HE2 LYS 20 - HB2 LYS 73 OK 17 50 - 35 - 5172/2.9=2, 5162/2.9=2...(15) HE3 LYS 20 - HB2 LYS 73 OK 17 50 - 35 - 5172/2.9=2, 5162/2.9=2...(15) HE3 LYS 40 - HB3 LYS 43 OK 17 81 - 21 - 6.4/8066=2, 3849/3.0=2, ~3849=1 HE3 LYS 73 - HB2 LYS 96 OK 17 96 - 18 - ~6097=1, ~6098=1...(4) HE2 LYS 40 - HB2 LYS 43 OK 17 79 - 21 - 6.4/8066=2, 3849/3.0=2, ~3849=1 HE2 LYS 20 - HB3 LYS 73 OK 16 48 - 34 - 5172/2.9=2, 5162/2.9=2...(15) HE3 LYS 20 - HB3 LYS 73 OK 16 48 - 34 - 5172/2.9=2, 5162/2.9=2...(15) HE2 LYS 43 - HB2 LYS 96 OK 16 97 - 17 - ~6097=1 HE2 LYS 40 - HB2 LYS 20 OK 16 61 - 26 - ~3071=1, ~3070=1...(6) HE2 LYS 40 - HB3 LYS 20 OK 16 61 - 26 - ~3071=1, ~3070=1...(6) HE3 LYS 40 - HB2 LYS 43 OK 16 73 - 22 - 6.4/8066=2, 3849/3.0=2, ~3849=1 HE3 LYS 43 - HB2 LYS 96 OK 16 94 - 16 - ~6097=1 HE3 LYS 40 - HB3 LYS 20 OK 15 56 - 26 - ~3071=1, ~3070=1...(6) HE3 LYS 40 - HB2 LYS 20 OK 15 56 - 26 - ~3071=1, ~3070=1...(6) HE3 LYS 39 - HB3 LYS 44 OK 15 92 - 16 - HE2 LYS 39 - HB3 LYS 44 OK 15 92 - 16 - HE2 LYS 43 - HB3 LYS 44 OK 14 92 - 15 - 7.0/3820=1 HE3 LYS 43 - HB3 LYS 44 OK 14 89 - 15 - 7.0/3820=1 HE2 LYS 43 - HB2 LYS 44 OK 12 77 - 16 - 7.0/3820=1 HE3 LYS 39 - HB2 LYS 44 OK 12 76 - 16 - HE2 LYS 39 - HB2 LYS 44 OK 12 76 - 16 - HE2 LYS 20 - HB2 LYS 96 OK 12 67 - 17 - ~6097=1, ~6098=1 HE3 LYS 20 - HB2 LYS 96 OK 12 67 - 17 - ~6097=1, ~6098=1 HE2 LYS 73 - HB3 LYS 44 OK 12 92 - 12 - HE3 LYS 43 - HB2 LYS 44 OK 12 74 - 16 - 7.0/3820=1 HE3 LYS 73 - HB3 LYS 44 OK 11 91 - 12 - HE2 LYS 40 - HB2 LYS 96 OK 11 81 - 14 - 6.4/8066=2 HE2 LYS 39 - HB2 LYS 96 OK 11 97 - 11 - 7.3/7796=1 HE3 LYS 39 - HB2 LYS 96 OK 11 97 - 11 - 7.3/7796=1 HE2 LYS 73 - HB2 LYS 44 poor 10 76 - 13 - HE3 LYS 40 - HB2 LYS 96 poor 10 74 - 13 - 6.4/8066=2 HE3 LYS 73 - HB2 LYS 44 poor 10 75 - 13 - HE3 LYS 39 - HB3 LYS 43 lone 8 100 - 8 - HE2 LYS 39 - HB3 LYS 43 lone 8 100 - 8 - HE3 LYS 39 - HB2 LYS 43 lone 8 96 - 8 - HE2 LYS 39 - HB2 LYS 43 lone 8 96 - 8 - HE3 LYS 39 - HB2 LYS 73 lone 7 78 - 9 - HE2 LYS 39 - HB2 LYS 73 lone 7 78 - 9 - HE2 LYS 40 - HB2 LYS 73 poor 7 62 - 12 - HE3 LYS 39 - HB3 LYS 73 lone 7 75 - 9 - HE2 LYS 39 - HB3 LYS 73 lone 7 75 - 9 - HE3 LYS 40 - HB2 LYS 73 poor 7 56 - 12 - HE2 LYS 40 - HB3 LYS 73 poor 7 59 - 12 - HE3 LYS 40 - HB3 LYS 73 poor 7 54 - 12 - HE3 LYS 39 - HB3 LYS 20 lone 5 78 - 7 - HE3 LYS 39 - HB2 LYS 20 lone 5 78 - 7 - HE2 LYS 39 - HB2 LYS 20 lone 5 78 - 6 - HE2 LYS 39 - HB3 LYS 20 lone 5 78 - 6 - HD3 ARG 118 - HB2 LYS 20 lone 4 68 - 6 - ~7402=1, ~7401=1 HD3 ARG 118 - HB3 LYS 20 lone 4 68 - 6 - ~7402=1, ~7401=1 HE2 LYS 20 - HB3 LYS 44 lone 3 62 - 4 - HE3 LYS 20 - HB3 LYS 44 lone 3 62 - 4 - HE3 LYS 20 - HB2 LYS 44 lone 2 49 - 4 - HE2 LYS 20 - HB2 LYS 44 lone 2 49 - 4 - HE2 LYS 40 - HB3 LYS 44 lone 2 75 - 3 - HE3 LYS 40 - HB3 LYS 44 lone 2 69 - 3 - HE2 LYS 40 - HB2 LYS 44 lone 2 60 - 3 - HE3 LYS 40 - HB2 LYS 44 lone 2 55 - 3 - HD3 ARG 118 - HB2 LYS 73 lone 1 69 - 1 - HD3 ARG 118 - HB3 LYS 73 lone 1 66 - 1 - HD3 ARG 118 - HB3 LYS 43 lone 1 94 - 1 - HD3 ARG 118 - HB2 LYS 43 lone 1 87 - 1 - HB2 ASN 24 - HB3 LYS 43 lone 1 84 - 1 - HB3 ASN 24 - HB3 LYS 43 lone 1 84 - 1 - HB3 ASN 24 - HB2 LYS 43 lone 1 76 - 1 - HB2 ASN 24 - HB2 LYS 43 lone 1 76 - 1 - HD3 ARG 118 - HB2 LYS 96 lone 0 88 - 1 - HB3 ASN 24 - HB2 LYS 73 lone 0 59 - 1 - HB2 ASN 24 - HB2 LYS 73 lone 0 59 - 1 - HB3 ASN 24 - HB3 LYS 20 lone 0 59 - 1 - HB2 ASN 24 - HB3 LYS 20 lone 0 59 - 1 - HB2 ASN 24 - HB2 LYS 20 lone 0 59 - 1 - HB3 ASN 24 - HB2 LYS 20 lone 0 59 - 1 - HB3 ASN 24 - HB3 LYS 73 lone 0 57 - 1 - HB2 ASN 24 - HB3 LYS 73 lone 0 57 - 1 - HB3 PHE 51 - HB3 LYS 43 lone 0 84 - 1 - HD3 ARG 118 - HB3 LYS 44 lone 0 83 - 1 - HB3 ASN 24 - HB2 LYS 96 lone 0 78 - 1 - HB2 ASN 24 - HB2 LYS 96 lone 0 78 - 1 - HB3 PHE 51 - HB2 LYS 43 lone 0 76 - 1 - HB2 ASN 24 - HB3 LYS 44 lone 0 72 - 1 - HB3 ASN 24 - HB3 LYS 44 lone 0 72 - 1 - HB3 PHE 51 - HB2 LYS 96 lone 0 78 - 0 - HB3 PHE 51 - HB3 LYS 44 lone 0 72 - 0 - HD3 ARG 118 - HB2 LYS 44 lone 0 67 - 1 - HB3 PHE 51 - HB2 LYS 73 lone 0 59 - 1 - HB3 PHE 51 - HB3 LYS 73 lone 0 57 - 1 - HB3 PHE 51 - HB3 LYS 20 lone 0 59 - 1 - HB3 PHE 51 - HB2 LYS 20 lone 0 59 - 1 - HB3 ASN 24 - HB2 LYS 44 lone 0 57 - 1 - HB2 ASN 24 - HB2 LYS 44 lone 0 57 - 1 - HB3 PHE 51 - HB2 LYS 44 lone 0 57 - 0 - Peak 3839 from cnoeabs.peaks (2.98, 1.90, 31.96 ppm; 3.87 A): 12 out of 126 assignments used, quality = 1.00: * HE3 LYS 43 + HB3 LYS 43 OK 89 100 - 89 - 4.7=57, 3848/3.0=8...(46) HE2 LYS 43 + HB3 LYS 43 OK 89 99 - 90 - 4.7=57, 3848/3.0=8...(48) HE3 LYS 43 + HB2 LYS 43 OK 86 96 - 90 - 4.7=57, 3848/3.0=8...(47) HE2 LYS 43 + HB2 LYS 43 OK 84 93 - 90 - 4.7=57, 3848/3.0=8...(50) HE3 LYS 73 + HB2 LYS 73 OK 70 78 - 90 - 4.9=50, 5197/2.9=10...(39) HE3 LYS 73 + HB3 LYS 73 OK 67 75 - 90 - 4.9=50, 5197/2.9=10...(40) HE2 LYS 73 + HB2 LYS 73 OK 66 73 - 90 - 4.9=50, 5197/2.9=10...(43) HE2 LYS 73 + HB3 LYS 73 OK 63 70 - 90 - 4.9=50, 5197/2.9=10...(43) HE3 LYS 20 + HB3 LYS 20 OK 58 64 - 91 - 4.8=51, 3070/2.9=6...(52) HE3 LYS 20 + HB2 LYS 20 OK 58 64 - 91 - 4.8=51, 3070/2.9=6...(52) HE2 LYS 20 + HB3 LYS 20 OK 58 64 - 91 - 4.8=51, 3070/2.9=6...(52) HE2 LYS 20 + HB2 LYS 20 OK 58 64 - 91 - 4.8=51, 3070/2.9=6...(52) HE2 LYS 43 - HB2 LYS 20 OK 38 75 - 51 - 5198/2.9=3, 3884/2.9=3...(23) HE2 LYS 43 - HB3 LYS 20 OK 38 75 - 51 - 5198/2.9=3, 3884/2.9=3...(23) HE3 LYS 43 - HB2 LYS 20 OK 37 78 - 48 - 3071/2.9=3, 3081/2.9=2...(19) HE3 LYS 43 - HB3 LYS 20 OK 37 78 - 48 - 3071/2.9=3, 3081/2.9=2...(19) HE3 LYS 73 - HB3 LYS 20 OK 35 78 - 45 - 5198/2.9=2, 3884/2.9=2...(17) HE3 LYS 73 - HB2 LYS 20 OK 35 78 - 45 - 5198/2.9=2, 3884/2.9=2...(17) HE2 LYS 73 - HB2 LYS 20 OK 35 72 - 49 - 5198/2.9=2, 3884/2.9=2...(18) HE2 LYS 73 - HB3 LYS 20 OK 35 72 - 49 - 5198/2.9=2, 3884/2.9=2...(18) HE2 LYS 73 - HB3 LYS 43 OK 33 97 - 34 - 3848/3.0=3, 3885/3.0=2...(7) HE3 LYS 43 - HB2 LYS 73 OK 33 78 - 42 - 5172/2.9=3, 5197/2.9=3...(13) HE3 LYS 73 - HB3 LYS 43 OK 32 100 - 33 - 3848/3.0=3, ~3848=2...(7) HE2 LYS 43 - HB2 LYS 73 OK 32 75 - 43 - 5197/2.9=4, 5172/2.9=3...(14) HE3 LYS 73 - HB2 LYS 43 OK 31 95 - 33 - 3848/3.0=3, ~3848=2...(7) HE3 LYS 43 - HB3 LYS 73 OK 31 76 - 42 - 5172/2.9=3, 5197/2.9=3...(13) HE2 LYS 73 - HB2 LYS 43 OK 31 90 - 35 - 3848/3.0=3, 3885/3.0=2...(7) HE2 LYS 43 - HB3 LYS 73 OK 31 73 - 43 - 5197/2.9=4, 5172/2.9=3...(14) HE3 LYS 20 - HB3 LYS 43 OK 30 90 - 34 - 3849/3.0=2, 3.9/3824=2...(9) HE2 LYS 20 - HB3 LYS 43 OK 30 90 - 34 - 3849/3.0=2, 3.9/3824=2...(9) HE3 LYS 20 - HB2 LYS 43 OK 28 82 - 35 - 3849/3.0=2, 3.9/3824=2...(9) HE2 LYS 20 - HB2 LYS 43 OK 28 82 - 35 - 3849/3.0=2, 3.9/3824=2...(9) HE3 LYS 20 - HB2 LYS 73 OK 22 64 - 35 - 5172/2.9=2, 5162/2.9=2...(15) HE2 LYS 20 - HB2 LYS 73 OK 22 64 - 35 - 5172/2.9=2, 5162/2.9=2...(15) HE2 LYS 20 - HB3 LYS 73 OK 21 62 - 34 - 5172/2.9=2, 5162/2.9=2...(15) HE3 LYS 20 - HB3 LYS 73 OK 21 62 - 34 - 5172/2.9=2, 5162/2.9=2...(15) HE2 LYS 40 - HB3 LYS 43 OK 20 97 - 21 - 6.4/8066=2, 3849/3.0=2, ~3849=1 HE3 LYS 40 - HB3 LYS 43 OK 20 94 - 21 - 6.4/8066=2, 3849/3.0=2, ~3849=1 HE2 LYS 40 - HB2 LYS 20 OK 20 72 - 27 - 3070/2.9=2, 3080/2.9=2...(6) HE2 LYS 40 - HB3 LYS 20 OK 20 72 - 27 - 3070/2.9=2, 3080/2.9=2...(6) HE2 LYS 40 - HB2 LYS 43 OK 19 90 - 21 - 3849/3.0=2, 6.4/8066=2, ~3849=1 HE3 LYS 40 - HB3 LYS 20 OK 19 68 - 28 - 3070/2.9=2, 3081/2.9=2...(6) HE3 LYS 40 - HB2 LYS 20 OK 19 68 - 28 - 3070/2.9=2, 3080/2.9=2...(6) HE3 LYS 40 - HB2 LYS 43 OK 19 87 - 22 - 3849/3.0=2, 6.4/8066=2, ~3849=1 HE3 LYS 73 - HB2 LYS 96 OK 17 96 - 18 - ~6097=1, ~6098=1...(4) HE2 LYS 73 - HB2 LYS 96 OK 17 92 - 18 - ~6097=1, ~6098=1...(4) HE3 LYS 43 - HB2 LYS 96 OK 16 97 - 17 - ~6097=1 HE2 LYS 43 - HB2 LYS 96 OK 16 94 - 17 - ~6097=1 HE3 LYS 20 - HB2 LYS 96 OK 15 84 - 18 - ~6097=1, ~6098=1 HE2 LYS 20 - HB2 LYS 96 OK 15 84 - 18 - ~6097=1, ~6098=1 HE2 LYS 39 - HB3 LYS 44 OK 14 91 - 16 - HE3 LYS 43 - HB3 LYS 44 OK 14 92 - 15 - 7.0/3820=1 HE3 LYS 39 - HB3 LYS 44 OK 14 88 - 16 - HE2 LYS 43 - HB3 LYS 44 OK 14 89 - 15 - 7.0/3820=1 HE2 LYS 40 - HB2 LYS 96 OK 13 92 - 14 - 6.4/8066=2 HE3 LYS 43 - HB2 LYS 44 OK 12 77 - 16 - 7.0/3820=1 HE3 LYS 40 - HB2 LYS 96 OK 12 88 - 14 - 6.4/8066=2 HE2 LYS 39 - HB2 LYS 44 OK 12 75 - 16 - HE2 LYS 43 - HB2 LYS 44 OK 12 74 - 16 - 7.0/3820=1 HE3 LYS 73 - HB3 LYS 44 OK 11 92 - 12 - HE3 LYS 39 - HB2 LYS 44 OK 11 72 - 16 - HE2 LYS 73 - HB3 LYS 44 OK 11 87 - 12 - HE2 LYS 39 - HB2 LYS 96 OK 11 95 - 11 - 7.3/7796=1 HE3 LYS 39 - HB2 LYS 96 OK 11 93 - 11 - 7.3/7796=1 HE3 LYS 73 - HB2 LYS 44 poor 10 76 - 13 - HE2 LYS 73 - HB2 LYS 44 poor 9 71 - 13 - HE2 LYS 40 - HB2 LYS 73 poor 9 73 - 12 - HE3 LYS 40 - HB2 LYS 73 poor 9 69 - 12 - HE2 LYS 40 - HB3 LYS 73 poor 8 70 - 12 - HE3 LYS 40 - HB3 LYS 73 poor 8 66 - 12 - HE2 LYS 39 - HB3 LYS 43 lone 8 99 - 8 - HE3 LYS 39 - HB3 LYS 43 lone 8 98 - 8 - HE2 LYS 39 - HB2 LYS 43 lone 7 94 - 8 - HE3 LYS 39 - HB2 LYS 43 lone 7 92 - 8 - HE2 LYS 39 - HB2 LYS 73 lone 7 76 - 9 - HE3 LYS 39 - HB2 LYS 73 lone 7 74 - 9 - HE2 LYS 39 - HB3 LYS 73 lone 7 74 - 9 - HE3 LYS 39 - HB3 LYS 73 lone 7 71 - 9 - HE2 LYS 39 - HB2 LYS 20 lone 5 76 - 6 - HE2 LYS 39 - HB3 LYS 20 lone 5 76 - 6 - HE3 LYS 39 - HB2 LYS 20 lone 5 74 - 7 - HE3 LYS 39 - HB3 LYS 20 lone 5 74 - 7 - HD3 ARG 118 - HB2 LYS 20 lone 5 76 - 6 - ~7402=1, ~7401=1 HD3 ARG 118 - HB3 LYS 20 lone 5 76 - 6 - ~7402=1, ~7401=1 HE3 LYS 20 - HB3 LYS 44 lone 3 78 - 4 - HE2 LYS 20 - HB3 LYS 44 lone 3 78 - 4 - HE3 LYS 20 - HB2 LYS 44 lone 3 63 - 4 - HE2 LYS 20 - HB2 LYS 44 lone 3 63 - 4 - HE2 LYS 40 - HB3 LYS 44 lone 3 87 - 3 - HE3 LYS 40 - HB3 LYS 44 lone 2 83 - 3 - HE2 LYS 40 - HB2 LYS 44 lone 2 71 - 3 - HE3 LYS 40 - HB2 LYS 44 lone 2 67 - 3 - HD3 ARG 118 - HB2 LYS 73 lone 1 76 - 1 - HD3 ARG 118 - HB3 LYS 73 lone 1 74 - 1 - HD3 ARG 118 - HB2 LYS 43 lone 1 94 - 1 - HB3 ASN 24 - HB3 LYS 43 lone 1 96 - 1 - HB2 ASN 24 - HB3 LYS 43 lone 1 96 - 1 - HD3 ARG 118 - HB3 LYS 43 lone 1 99 - 1 - HB2 ASN 24 - HB2 LYS 43 lone 1 89 - 1 - HB3 ASN 24 - HB2 LYS 43 lone 1 89 - 1 - HB2 ASN 24 - HB3 LYS 20 lone 1 70 - 1 - HB3 ASN 24 - HB2 LYS 20 lone 1 70 - 1 - HB2 ASN 24 - HB2 LYS 20 lone 1 70 - 1 - HB3 ASN 24 - HB3 LYS 20 lone 1 70 - 1 - HB3 ASN 24 - HB2 LYS 73 lone 1 71 - 1 - HB2 ASN 24 - HB2 LYS 73 lone 1 71 - 1 - HB2 ASN 24 - HB3 LYS 73 lone 1 68 - 1 - HB3 ASN 24 - HB3 LYS 73 lone 1 68 - 1 - HD3 ARG 118 - HB2 LYS 96 lone 1 95 - 1 - HB3 PHE 51 - HB3 LYS 43 lone 0 96 - 1 - HB3 ASN 24 - HB2 LYS 96 lone 0 90 - 1 - HB2 ASN 24 - HB2 LYS 96 lone 0 90 - 1 - HB3 PHE 51 - HB2 LYS 96 lone 0 90 - 1 - HD3 ARG 118 - HB3 LYS 44 lone 0 91 - 1 - HB3 PHE 51 - HB2 LYS 43 lone 0 89 - 1 - HB3 ASN 24 - HB3 LYS 44 lone 0 85 - 1 - HB2 ASN 24 - HB3 LYS 44 lone 0 85 - 1 - HB3 PHE 51 - HB3 LYS 44 lone 0 85 - 0 - HB3 PHE 51 - HB2 LYS 73 lone 0 71 - 1 - HB3 PHE 51 - HB3 LYS 20 lone 0 70 - 1 - HB3 PHE 51 - HB2 LYS 20 lone 0 70 - 1 - HB3 PHE 51 - HB3 LYS 73 lone 0 68 - 1 - HD3 ARG 118 - HB2 LYS 44 lone 0 75 - 1 - HB2 ASN 24 - HB2 LYS 44 lone 0 69 - 1 - HB3 ASN 24 - HB2 LYS 44 lone 0 69 - 1 - HB3 PHE 51 - HB2 LYS 44 lone 0 69 - 0 - Peak 3840 from cnoeabs.peaks (7.50, 1.51, 24.91 ppm; 5.00 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 43 + HG2 LYS 43 OK 100 100 - 100 - 4.9=100 Peak 3841 from cnoeabs.peaks (4.09, 1.51, 24.91 ppm; 3.72 A): 1 out of 5 assignments used, quality = 0.96: * HA LYS 43 + HG2 LYS 43 OK 96 100 - 96 - 3.9=84, 3815/1.8=22...(18) HA LYS 20 - HG2 LYS 43 OK 40 100 - 40 - 3036=11, 3851/1.8=5...(12) HA ASP 110 - HG2 LYS 43 OK 10 97 - 11 - 3.0/10383=2, 3.0/10375=2...(5) HA GLU 91 - HG2 LYS 43 lone 1 77 - 1 - HA GLN 62 - HG2 LYS 43 lone 1 70 - 1 - Peak 3842 from cnoeabs.peaks (1.91, 1.51, 24.91 ppm; 3.33 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 43 + HG2 LYS 43 OK 100 100 - 100 - 3.0=100 HB3 LYS 43 + HG2 LYS 43 OK 98 98 - 100 - 3.0=100 Peak 3843 from cnoeabs.peaks (1.90, 1.51, 24.91 ppm; 3.33 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 43 + HG2 LYS 43 OK 100 100 - 100 - 3.0=100 HB2 LYS 43 + HG2 LYS 43 OK 98 98 - 100 - 3.0=100 Peak 3844 from cnoeabs.peaks (1.51, 1.51, 24.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 43 + HG2 LYS 43 OK 100 100 - 100 Peak 3845 from cnoeabs.peaks (1.37, 1.51, 24.91 ppm; 2.69 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 43 + HG2 LYS 43 OK 100 100 - 100 - 1.8=100 Peak 3846 from cnoeabs.peaks (1.68, 1.51, 24.91 ppm; 2.64 A): 2 out of 18 assignments used, quality = 0.98: * HD2 LYS 43 + HG2 LYS 43 OK 87 100 - 87 - 2.9=74, 1.8/3864=5...(18) HD3 LYS 43 + HG2 LYS 43 OK 86 99 - 87 - 2.9=74, 1.8/3864=6...(18) HD3 LYS 20 - HG2 LYS 43 OK 20 96 - 21 - 3864=2, 5.3/3841=2...(4) HD2 LYS 20 - HG2 LYS 43 OK 20 94 - 21 - 3874=2, 5.3/3841=2...(4) HD3 LYS 73 - HG2 LYS 43 OK 18 99 - 18 - 3864=2, 2.9/3848=1...(4) HD2 LYS 73 - HG2 LYS 43 OK 18 98 - 18 - 3864=2, 2.9/3848=1...(4) HD3 LYS 40 - HG2 LYS 43 OK 10 100 - 10 - HD2 LYS 40 - HG2 LYS 43 OK 10 100 - 10 - HD2 LYS 96 - HG2 LYS 43 lone 9 100 - 9 - HD3 LYS 96 - HG2 LYS 43 lone 8 99 - 8 - HG3 ARG 95 - HG2 LYS 43 lone 2 100 - 2 - HD2 LYS 17 - HG2 LYS 43 lone 1 100 - 1 - HD2 LYS 16 - HG2 LYS 43 lone 1 97 - 1 - HD3 LYS 16 - HG2 LYS 43 lone 1 92 - 1 - HB ILE 56 - HG2 LYS 43 lone 0 92 - 1 - HB ILE 54 - HG2 LYS 43 lone 0 100 - 0 - HG12 ILE 71 - HG2 LYS 43 lone 0 77 - 0 - HD3 LYS 115 - HG2 LYS 43 lone 0 61 - 0 - Peak 3847 from cnoeabs.peaks (1.68, 1.51, 24.91 ppm; 2.64 A): 2 out of 21 assignments used, quality = 0.98: * HD3 LYS 43 + HG2 LYS 43 OK 87 100 - 87 - 2.9=74, 1.8/3864=6...(18) HD2 LYS 43 + HG2 LYS 43 OK 86 99 - 87 - 2.9=74, 1.8/3864=5...(18) HD3 LYS 20 - HG2 LYS 43 OK 21 100 - 21 - 3874=2, 5.3/3841=2...(4) HD2 LYS 20 - HG2 LYS 43 OK 21 99 - 21 - 3874=2, 5.3/3841=2...(4) HD3 LYS 73 - HG2 LYS 43 OK 18 100 - 18 - 3864=2, 2.9/3848=1...(4) HD2 LYS 73 - HG2 LYS 43 OK 18 100 - 18 - 3864=2, 2.9/3848=1...(4) HD3 LYS 40 - HG2 LYS 43 OK 10 100 - 10 - HD2 LYS 40 - HG2 LYS 43 OK 10 100 - 10 - HD2 LYS 96 - HG2 LYS 43 lone 9 100 - 8 - HD3 LYS 96 - HG2 LYS 43 lone 8 100 - 8 - HD2 LYS 44 - HG2 LYS 43 lone 4 70 - 6 - HD3 LYS 44 - HG2 LYS 43 lone 4 61 - 6 - HG3 ARG 95 - HG2 LYS 43 lone 1 96 - 2 - HG3 LYS 39 - HG2 LYS 43 lone 1 77 - 2 - HD2 LYS 17 - HG2 LYS 43 lone 1 100 - 1 - HD2 LYS 16 - HG2 LYS 43 lone 1 100 - 1 - HD3 LYS 16 - HG2 LYS 43 lone 1 99 - 1 - HG3 LYS 123 - HG2 LYS 43 lone 1 77 - 1 - HB ILE 56 - HG2 LYS 43 lone 1 99 - 1 - HB ILE 54 - HG2 LYS 43 lone 0 100 - 0 - HG12 ILE 71 - HG2 LYS 43 lone 0 92 - 0 - Peak 3848 from cnoeabs.peaks (2.98, 1.51, 24.91 ppm; 3.83 A): 2 out of 14 assignments used, quality = 1.00: * HE2 LYS 43 + HG2 LYS 43 OK 99 100 - 99 - 3.9=93, 3.0/3846=12...(40) HE3 LYS 43 + HG2 LYS 43 OK 98 99 - 99 - 3.9=93, 3.0/3846=12...(42) HE2 LYS 73 - HG2 LYS 43 OK 34 100 - 34 - 3884=3, 1.8/3884=2...(10) HE3 LYS 73 - HG2 LYS 43 OK 32 100 - 33 - 3884=3, 1.8/3884=3...(10) HE2 LYS 20 - HG2 LYS 43 OK 24 73 - 32 - 3.0/3847=3, 3.0/3847=3...(8) HE3 LYS 20 - HG2 LYS 43 OK 24 73 - 32 - 3.0/3847=3, 3.0/3847=3...(8) HE2 LYS 40 - HG2 LYS 43 OK 19 87 - 22 - 1.8/3116=2, 3.0/3846=1...(5) HE3 LYS 40 - HG2 LYS 43 OK 18 81 - 23 - 1.8/3116=2, 3.0/3846=1...(5) HE3 LYS 39 - HG2 LYS 43 lone 8 100 - 8 - HE2 LYS 39 - HG2 LYS 43 lone 8 100 - 7 - HD3 ARG 118 - HG2 LYS 43 lone 1 94 - 1 - HB2 ASN 24 - HG2 LYS 43 lone 1 84 - 1 - HB3 ASN 24 - HG2 LYS 43 lone 1 84 - 1 - HB3 PHE 51 - HG2 LYS 43 lone 0 84 - 0 - Peak 3849 from cnoeabs.peaks (2.98, 1.51, 24.91 ppm; 3.83 A): 2 out of 14 assignments used, quality = 1.00: * HE3 LYS 43 + HG2 LYS 43 OK 99 100 - 99 - 3.9=93, 3.0/3846=12...(42) HE2 LYS 43 + HG2 LYS 43 OK 98 99 - 99 - 3.9=93, 3.0/3846=12...(40) HE2 LYS 73 - HG2 LYS 43 OK 33 97 - 34 - 3884=3, 1.8/3884=2...(9) HE3 LYS 73 - HG2 LYS 43 OK 32 100 - 32 - 3884=3, 1.8/3884=3...(9) HE2 LYS 20 - HG2 LYS 43 OK 29 90 - 33 - 3.0/3847=3, 3.0/3847=3...(8) HE3 LYS 20 - HG2 LYS 43 OK 29 90 - 33 - 3.0/3847=3, 3.0/3847=3...(8) HE2 LYS 40 - HG2 LYS 43 OK 22 97 - 22 - 1.8/3116=2, 3106=1...(5) HE3 LYS 40 - HG2 LYS 43 OK 22 94 - 23 - 3116=2, 1.8/3106=2...(5) HE3 LYS 39 - HG2 LYS 43 lone 8 98 - 7 - HE2 LYS 39 - HG2 LYS 43 lone 8 99 - 7 - HB2 ASN 24 - HG2 LYS 43 lone 1 96 - 1 - HB3 ASN 24 - HG2 LYS 43 lone 1 96 - 1 - HD3 ARG 118 - HG2 LYS 43 lone 1 99 - 1 - HB3 PHE 51 - HG2 LYS 43 lone 0 96 - 0 - Peak 3850 from cnoeabs.peaks (7.50, 1.37, 24.91 ppm; 5.31 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 43 + HG3 LYS 43 OK 100 100 - 100 - 4.9=100 Peak 3851 from cnoeabs.peaks (4.09, 1.37, 24.91 ppm; 3.89 A): 1 out of 15 assignments used, quality = 0.99: * HA LYS 43 + HG3 LYS 43 OK 99 100 - 99 - 3.9=96, 3814/1.8=26...(20) HA LYS 20 - HG3 LYS 43 OK 34 100 - 34 - 3841/1.8=11, 3039/2.9=3...(10) HA LYS 43 - HG2 LYS 94 OK 25 84 - 30 - 3815=8, 8085/3.0=5...(9) HA LYS 43 - HG2 LYS 40 OK 23 84 - 27 - 3.0/1277=7, 3815=6...(7) HA GLU 91 - HG2 LYS 94 OK 18 58 - 32 - 8195/3.0=7, 8194/3.0=6...(9) HA ASP 110 - HG3 LYS 43 OK 11 97 - 12 - 3841/1.8=3, ~10383=2...(5) HA LYS 20 - HG2 LYS 40 lone 7 84 - 9 - HA LYS 20 - HG2 LYS 94 lone 3 84 - 4 - HA GLU 91 - HG3 LYS 43 lone 1 77 - 2 - HA ASP 110 - HG2 LYS 94 lone 1 78 - 1 - HA ASP 110 - HG2 LYS 40 lone 1 78 - 1 - HA GLN 62 - HG3 LYS 43 lone 1 70 - 1 - HA GLU 91 - HG2 LYS 40 lone 1 58 - 1 - HA GLN 62 - HG2 LYS 40 lone 0 52 - 1 - HA GLN 62 - HG2 LYS 94 lone 0 51 - 1 - Peak 3852 from cnoeabs.peaks (1.91, 1.37, 24.91 ppm; 3.19 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 43 + HG3 LYS 43 OK 100 100 - 100 - 3.0=100 HB3 LYS 43 + HG3 LYS 43 OK 98 98 - 100 - 3.0=100 Peak 3853 from cnoeabs.peaks (1.90, 1.37, 24.91 ppm; 3.19 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 43 + HG3 LYS 43 OK 100 100 - 100 - 3.0=100 HB2 LYS 43 + HG3 LYS 43 OK 98 98 - 100 - 3.0=100 Peak 3854 from cnoeabs.peaks (1.51, 1.37, 24.91 ppm; 2.63 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 43 + HG3 LYS 43 OK 100 100 - 100 - 1.8=100 Peak 3855 from cnoeabs.peaks (1.37, 1.37, 24.91 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 LYS 43 + HG3 LYS 43 OK 100 100 - 100 HG2 LYS 94 + HG2 LYS 94 OK 84 84 - 100 HG2 LYS 40 + HG2 LYS 40 OK 74 74 - 100 Peak 3856 from cnoeabs.peaks (1.68, 1.37, 24.91 ppm; 2.70 A): 4 out of 54 assignments used, quality = 1.00: * HD2 LYS 43 + HG3 LYS 43 OK 90 100 - 90 - 2.9=79, 3846/1.8=10...(21) HD3 LYS 43 + HG3 LYS 43 OK 89 99 - 90 - 2.9=79, 3846/1.8=10...(21) HD3 LYS 40 + HG2 LYS 40 OK 78 84 - 93 - 2.9=78, 3695/1.8=9...(33) HD2 LYS 40 + HG2 LYS 40 OK 77 83 - 93 - 2.9=78, 3695/1.8=9...(33) HD2 LYS 16 - HG2 LYS 40 OK 30 78 - 38 - 3695/1.8=4, 3702=4...(18) HD3 LYS 16 - HG2 LYS 40 OK 27 72 - 38 - 3694/1.8=4, 3702=3...(20) HD3 LYS 20 - HG3 LYS 43 OK 20 96 - 21 - 3846/1.8=2, 3816/3.9=1...(4) HD2 LYS 20 - HG3 LYS 43 OK 19 94 - 21 - 3846/1.8=2, 3816/3.9=1...(4) HD3 LYS 73 - HG3 LYS 43 OK 19 99 - 19 - 3846/1.8=2, ~3846=1 HD2 LYS 73 - HG3 LYS 43 OK 19 98 - 19 - 3846/1.8=2, ~3846=1, ~3847=1 HD2 LYS 43 - HG2 LYS 40 OK 17 84 - 20 - 3695/1.8=2, 5.9/1277=1...(5) HD3 LYS 43 - HG2 LYS 40 OK 16 81 - 20 - 3695/1.8=2, 5.9/1277=1...(5) HD3 LYS 40 - HG3 LYS 43 OK 13 100 - 13 - 3712=1, 3846/1.8=1, 5.3/3652=1 HD2 LYS 40 - HG3 LYS 43 OK 13 100 - 13 - 3712=1, 3846/1.8=1, 5.3/3652=1 HD3 LYS 20 - HG2 LYS 40 OK 12 76 - 15 - 3695/1.8=1 HD2 LYS 20 - HG2 LYS 40 OK 11 74 - 15 - 3694/1.8=1 HD2 LYS 96 - HG3 LYS 43 lone 10 100 - 10 - HD3 LYS 96 - HG3 LYS 43 lone 10 99 - 10 - HD3 LYS 73 - HG2 LYS 40 poor 9 81 - 11 - 3695/1.8=1 HD2 LYS 73 - HG2 LYS 40 poor 9 80 - 11 - HD2 LYS 96 - HG2 LYS 40 lone 8 84 - 10 - HD3 LYS 96 - HG2 LYS 40 lone 8 82 - 10 - HB ILE 56 - HG2 LYS 94 lone 6 72 - 8 - ~9551=2, 10948/3.0=2 HG3 ARG 95 - HG2 LYS 40 lone 4 83 - 5 - 7792/4.8=2, 4.7/597=1 HG3 ARG 95 - HG2 LYS 94 lone 3 83 - 4 - 4.7/597=4 HG3 ARG 95 - HG3 LYS 43 lone 3 100 - 3 - 4.7/597=1 HD2 LYS 17 - HG2 LYS 40 lone 3 84 - 3 - 2862/2.7=1 HD2 LYS 43 - HG2 LYS 94 lone 2 84 - 2 - 4.8/3815=1 HD3 LYS 43 - HG2 LYS 94 lone 2 81 - 2 - 4.8/3815=1 HD2 LYS 16 - HG3 LYS 43 lone 2 97 - 2 - HD3 LYS 16 - HG3 LYS 43 lone 1 92 - 2 - HD2 LYS 17 - HG3 LYS 43 lone 1 100 - 1 - HD3 LYS 96 - HG2 LYS 94 lone 1 82 - 1 - HD2 LYS 96 - HG2 LYS 94 lone 1 83 - 1 - HD3 LYS 40 - HG2 LYS 94 lone 1 83 - 1 - HD2 LYS 40 - HG2 LYS 94 lone 1 83 - 1 - HB ILE 54 - HG2 LYS 40 lone 1 83 - 1 - HB ILE 54 - HG2 LYS 94 lone 1 83 - 1 - HB ILE 56 - HG3 LYS 43 lone 0 92 - 0 - HD3 LYS 20 - HG2 LYS 94 lone 0 76 - 1 - HD3 LYS 115 - HG2 LYS 40 lone 0 45 - 1 - HD2 LYS 20 - HG2 LYS 94 lone 0 74 - 1 - HD2 LYS 16 - HG2 LYS 94 lone 0 78 - 0 - HD3 LYS 16 - HG2 LYS 94 lone 0 72 - 0 - HD3 LYS 73 - HG2 LYS 94 lone 0 81 - 0 - HB ILE 54 - HG3 LYS 43 lone 0 100 - 0 - HD2 LYS 73 - HG2 LYS 94 lone 0 79 - 0 - HD2 LYS 17 - HG2 LYS 94 lone 0 83 - 0 - HG12 ILE 71 - HG3 LYS 43 lone 0 77 - 0 - HB ILE 56 - HG2 LYS 40 lone 0 72 - 0 - HD3 LYS 115 - HG3 LYS 43 lone 0 61 - 0 - HD3 LYS 115 - HG2 LYS 94 lone 0 45 - 0 - HG12 ILE 71 - HG2 LYS 40 lone 0 58 - 0 - HG12 ILE 71 - HG2 LYS 94 lone 0 58 - 0 - Peak 3857 from cnoeabs.peaks (1.68, 1.37, 24.91 ppm; 2.70 A): 4 out of 63 assignments used, quality = 1.00: * HD3 LYS 43 + HG3 LYS 43 OK 90 100 - 90 - 2.9=79, 3846/1.8=9...(21) HD2 LYS 43 + HG3 LYS 43 OK 89 99 - 90 - 2.9=79, 3846/1.8=10...(21) HD2 LYS 40 + HG2 LYS 40 OK 78 84 - 93 - 2.9=78, 3695/1.8=9...(33) HD3 LYS 40 + HG2 LYS 40 OK 77 83 - 93 - 2.9=78, 3695/1.8=9...(33) HD2 LYS 16 - HG2 LYS 40 OK 32 84 - 38 - 3694/1.8=4, 3702=4...(18) HD3 LYS 16 - HG2 LYS 40 OK 31 81 - 38 - 3694/1.8=4, 3702=3...(20) HD3 LYS 20 - HG3 LYS 43 OK 21 100 - 21 - 3847/1.8=2, 3816/3.9=1...(4) HD2 LYS 20 - HG3 LYS 43 OK 21 99 - 21 - 3847/1.8=2, 3816/3.9=1...(4) HD3 LYS 73 - HG3 LYS 43 OK 19 100 - 19 - 3846/1.8=2, ~3846=1 HD2 LYS 73 - HG3 LYS 43 OK 19 100 - 19 - 3847/1.8=2, ~3846=1, ~3847=1 HD3 LYS 43 - HG2 LYS 40 OK 17 84 - 20 - 3694/1.8=2, 5.9/1277=1...(5) HD2 LYS 43 - HG2 LYS 40 OK 16 81 - 20 - 3695/1.8=2, 5.9/1277=1...(5) HD3 LYS 40 - HG3 LYS 43 OK 13 100 - 13 - 3712=1, 3846/1.8=1, 5.3/3652=1 HD2 LYS 40 - HG3 LYS 43 OK 13 100 - 13 - 3712=1, 5.3/3652=1, 3846/1.8=1 HD3 LYS 20 - HG2 LYS 40 OK 13 83 - 15 - 3694/1.8=1 HD2 LYS 20 - HG2 LYS 40 OK 12 82 - 15 - 3694/1.8=1 HD3 LYS 96 - HG3 LYS 43 lone 10 100 - 10 - HD2 LYS 96 - HG3 LYS 43 lone 10 100 - 10 - HD3 LYS 73 - HG2 LYS 40 poor 9 84 - 11 - HD2 LYS 73 - HG2 LYS 40 poor 9 84 - 11 - HD3 LYS 96 - HG2 LYS 40 lone 8 84 - 10 - HD2 LYS 96 - HG2 LYS 40 lone 8 83 - 10 - HB ILE 56 - HG2 LYS 94 lone 7 81 - 8 - ~9551=2, 10948/3.0=2 HD2 LYS 44 - HG3 LYS 43 lone 6 70 - 8 - 6.4/256=2 HD3 LYS 44 - HG3 LYS 43 lone 5 61 - 8 - 6.4/256=2 HG3 ARG 95 - HG2 LYS 40 lone 4 76 - 5 - 7792/4.8=2, 4.7/597=1 HG3 LYS 39 - HG2 LYS 40 lone 3 58 - 6 - 7476/4.8=2 HG3 ARG 95 - HG2 LYS 94 lone 3 76 - 4 - 4.7/597=4 HD2 LYS 17 - HG2 LYS 40 lone 3 83 - 3 - 2862/2.7=1 HG3 ARG 95 - HG3 LYS 43 lone 3 96 - 3 - 4.7/597=1 HD3 LYS 43 - HG2 LYS 94 lone 2 84 - 2 - 4.8/3815=1 HD2 LYS 43 - HG2 LYS 94 lone 2 81 - 2 - 4.8/3815=1 HD2 LYS 16 - HG3 LYS 43 lone 2 100 - 2 - HD3 LYS 16 - HG3 LYS 43 lone 2 99 - 2 - HG3 LYS 39 - HG3 LYS 43 lone 2 77 - 2 - HD2 LYS 44 - HG2 LYS 40 lone 1 52 - 2 - HD2 LYS 17 - HG3 LYS 43 lone 1 100 - 1 - HD3 LYS 44 - HG2 LYS 40 lone 1 45 - 2 - HG3 LYS 123 - HG3 LYS 43 lone 1 77 - 1 - HD3 LYS 96 - HG2 LYS 94 lone 1 84 - 1 - HD2 LYS 96 - HG2 LYS 94 lone 1 83 - 1 - HG3 LYS 123 - HG2 LYS 40 lone 1 58 - 1 - HD2 LYS 40 - HG2 LYS 94 lone 1 83 - 1 - HD3 LYS 40 - HG2 LYS 94 lone 1 83 - 1 - HB ILE 54 - HG2 LYS 40 lone 1 84 - 1 - HD2 LYS 44 - HG2 LYS 94 lone 1 51 - 1 - HB ILE 54 - HG2 LYS 94 lone 1 83 - 1 - HB ILE 56 - HG3 LYS 43 lone 0 99 - 0 - HD3 LYS 20 - HG2 LYS 94 lone 0 83 - 1 - HD3 LYS 44 - HG2 LYS 94 lone 0 45 - 1 - HD2 LYS 20 - HG2 LYS 94 lone 0 82 - 1 - HD2 LYS 16 - HG2 LYS 94 lone 0 83 - 0 - HG3 LYS 123 - HG2 LYS 94 lone 0 58 - 1 - HD3 LYS 16 - HG2 LYS 94 lone 0 81 - 0 - HD3 LYS 73 - HG2 LYS 94 lone 0 84 - 0 - HD2 LYS 73 - HG2 LYS 94 lone 0 84 - 0 - HB ILE 54 - HG3 LYS 43 lone 0 100 - 0 - HG12 ILE 71 - HG3 LYS 43 lone 0 92 - 0 - HD2 LYS 17 - HG2 LYS 94 lone 0 83 - 0 - HB ILE 56 - HG2 LYS 40 lone 0 81 - 0 - HG12 ILE 71 - HG2 LYS 40 lone 0 72 - 0 - HG12 ILE 71 - HG2 LYS 94 lone 0 72 - 0 - HG3 LYS 39 - HG2 LYS 94 lone 0 58 - 0 - Peak 3858 from cnoeabs.peaks (2.98, 1.37, 24.91 ppm; 3.58 A): 4 out of 42 assignments used, quality = 1.00: * HE2 LYS 43 + HG3 LYS 43 OK 94 100 - 94 - 3.9=76, 3848/1.8=9...(38) HE3 LYS 43 + HG3 LYS 43 OK 93 99 - 94 - 3.9=76, 3848/1.8=9...(33) HE2 LYS 40 + HG2 LYS 40 OK 64 67 - 96 - 3.9=76, 3723/1.8=9...(47) HE3 LYS 40 + HG2 LYS 40 OK 59 61 - 96 - 3.9=76, 3723/1.8=9...(47) HE2 LYS 73 - HG3 LYS 43 OK 31 100 - 31 - 3848/1.8=3, 3885=2...(12) HE2 LYS 43 - HG2 LYS 40 OK 31 84 - 37 - 3885=3, 1.8/3885=2...(17) HE3 LYS 73 - HG3 LYS 43 OK 29 100 - 30 - 3848/1.8=3, 3885=2...(11) HE3 LYS 43 - HG2 LYS 40 OK 29 81 - 36 - 3885=3, 1.8/3885=2...(14) HE2 LYS 20 - HG3 LYS 43 OK 21 73 - 28 - 3849/1.8=2, ~3849=2...(12) HE3 LYS 20 - HG3 LYS 43 OK 21 73 - 28 - 3849/1.8=2, ~3849=2...(12) HE2 LYS 73 - HG2 LYS 40 OK 19 84 - 23 - 3885=2, 3696/1.8=1...(7) HE2 LYS 40 - HG3 LYS 43 OK 18 87 - 21 - 3849/1.8=2, 6.4/3652=2...(6) HE3 LYS 40 - HG3 LYS 43 OK 17 81 - 21 - 3849/1.8=2, 6.4/3652=2...(6) HE3 LYS 73 - HG2 LYS 40 OK 17 83 - 20 - 1.8/3885=2, 3885=1...(5) HE3 LYS 20 - HG2 LYS 40 OK 16 55 - 29 - 3723/1.8=2, ~3697=2...(13) HE2 LYS 20 - HG2 LYS 40 OK 16 55 - 29 - 3723/1.8=2, ~3697=2...(13) HE3 LYS 39 - HG2 LYS 40 OK 15 84 - 18 - 1257/4.8=1, 3885=1...(5) HE2 LYS 39 - HG2 LYS 40 OK 15 84 - 18 - 1257/4.8=1, 3885=1...(4) HE3 LYS 39 - HG3 LYS 43 lone 7 100 - 7 - HE2 LYS 39 - HG3 LYS 43 lone 7 100 - 7 - HE2 LYS 43 - HG2 LYS 94 lone 3 84 - 3 - 6.6/3815=1 HE3 LYS 43 - HG2 LYS 94 lone 2 81 - 3 - 6.6/3815=1 HB2 ASN 24 - HG2 LYS 40 lone 1 64 - 1 - HB3 ASN 24 - HG2 LYS 40 lone 1 64 - 1 - HE2 LYS 40 - HG2 LYS 94 lone 1 67 - 1 - HD3 ARG 118 - HG3 LYS 43 lone 1 94 - 1 - HB3 ASN 24 - HG3 LYS 43 lone 1 84 - 1 - HB2 ASN 24 - HG3 LYS 43 lone 1 84 - 1 - HE3 LYS 40 - HG2 LYS 94 lone 1 61 - 1 - HE2 LYS 73 - HG2 LYS 94 lone 0 83 - 1 - HE3 LYS 73 - HG2 LYS 94 lone 0 83 - 1 - HD3 ARG 118 - HG2 LYS 40 lone 0 74 - 1 - HD3 ARG 118 - HG2 LYS 94 lone 0 74 - 1 - HE2 LYS 39 - HG2 LYS 94 lone 0 84 - 0 - HE3 LYS 39 - HG2 LYS 94 lone 0 84 - 0 - HB3 PHE 51 - HG3 LYS 43 lone 0 84 - 0 - HB3 PHE 51 - HG2 LYS 40 lone 0 64 - 1 - HB3 ASN 24 - HG2 LYS 94 lone 0 64 - 1 - HB2 ASN 24 - HG2 LYS 94 lone 0 64 - 1 - HE3 LYS 20 - HG2 LYS 94 lone 0 55 - 1 - HE2 LYS 20 - HG2 LYS 94 lone 0 55 - 1 - HB3 PHE 51 - HG2 LYS 94 lone 0 64 - 0 - Peak 3859 from cnoeabs.peaks (2.98, 1.37, 24.91 ppm; 3.58 A): 4 out of 42 assignments used, quality = 1.00: * HE3 LYS 43 + HG3 LYS 43 OK 94 100 - 94 - 3.9=76, 3848/1.8=9...(33) HE2 LYS 43 + HG3 LYS 43 OK 93 99 - 94 - 3.9=76, 3848/1.8=9...(38) HE2 LYS 40 + HG2 LYS 40 OK 75 78 - 96 - 3.9=76, 3723/1.8=10...(47) HE3 LYS 40 + HG2 LYS 40 OK 71 74 - 96 - 3.9=76, 3723/1.8=10...(47) HE2 LYS 43 - HG2 LYS 40 OK 31 81 - 38 - 3696/1.8=3, 3885=3...(17) HE3 LYS 43 - HG2 LYS 40 OK 31 84 - 37 - 3696/1.8=3, 3885=2...(14) HE2 LYS 73 - HG3 LYS 43 OK 30 97 - 31 - 3848/1.8=3, 3885=2...(11) HE3 LYS 73 - HG3 LYS 43 OK 29 100 - 29 - 3848/1.8=3, 3885=2...(11) HE3 LYS 20 - HG3 LYS 43 OK 25 90 - 29 - 3849/1.8=2, ~3849=2...(12) HE2 LYS 20 - HG3 LYS 43 OK 25 90 - 29 - 3849/1.8=2, ~3849=2...(12) HE3 LYS 20 - HG2 LYS 40 OK 21 70 - 31 - 3696/1.8=3, ~3697=2...(13) HE2 LYS 20 - HG2 LYS 40 OK 21 70 - 31 - 3696/1.8=3, ~3697=2...(13) HE2 LYS 40 - HG3 LYS 43 OK 20 97 - 21 - 3849/1.8=2, 6.4/3652=2...(6) HE3 LYS 40 - HG3 LYS 43 OK 20 94 - 21 - 3849/1.8=2, 6.4/3652=2...(6) HE2 LYS 73 - HG2 LYS 40 OK 18 78 - 23 - 3696/1.8=2, 3885=2...(8) HE3 LYS 73 - HG2 LYS 40 OK 18 84 - 21 - 3696/1.8=2, 1.8/3885=2...(6) HE2 LYS 39 - HG2 LYS 40 OK 15 82 - 18 - 1257/4.8=2, 3696/1.8=1...(5) HE3 LYS 39 - HG2 LYS 40 OK 15 80 - 19 - 1257/4.8=1, 3696/1.8=1...(5) HE2 LYS 39 - HG3 LYS 43 lone 7 99 - 6 - HE3 LYS 39 - HG3 LYS 43 lone 7 98 - 7 - HE3 LYS 43 - HG2 LYS 94 lone 3 84 - 3 - 6.6/3815=1 HE2 LYS 43 - HG2 LYS 94 lone 2 81 - 3 - 6.6/3815=1 HB2 ASN 24 - HG2 LYS 40 lone 1 76 - 1 - HB3 ASN 24 - HG2 LYS 40 lone 1 76 - 1 - HE2 LYS 40 - HG2 LYS 94 lone 1 78 - 1 - HE3 LYS 40 - HG2 LYS 94 lone 1 74 - 1 - HB3 ASN 24 - HG3 LYS 43 lone 1 96 - 1 - HB2 ASN 24 - HG3 LYS 43 lone 1 96 - 1 - HD3 ARG 118 - HG3 LYS 43 lone 1 99 - 1 - HD3 ARG 118 - HG2 LYS 40 lone 1 82 - 1 - HD3 ARG 118 - HG2 LYS 94 lone 0 82 - 1 - HB3 PHE 51 - HG2 LYS 40 lone 0 76 - 1 - HB3 ASN 24 - HG2 LYS 94 lone 0 76 - 1 - HB2 ASN 24 - HG2 LYS 94 lone 0 76 - 1 - HE3 LYS 73 - HG2 LYS 94 lone 0 83 - 1 - HE2 LYS 20 - HG2 LYS 94 lone 0 69 - 1 - HE3 LYS 20 - HG2 LYS 94 lone 0 69 - 1 - HB3 PHE 51 - HG3 LYS 43 lone 0 96 - 0 - HE2 LYS 73 - HG2 LYS 94 lone 0 78 - 1 - HE2 LYS 39 - HG2 LYS 94 lone 0 82 - 0 - HE3 LYS 39 - HG2 LYS 94 lone 0 79 - 0 - HB3 PHE 51 - HG2 LYS 94 lone 0 76 - 0 - Peak 3860 from cnoeabs.peaks (7.50, 1.68, 28.78 ppm; 5.00 A): 4 out of 8 assignments used, quality = 1.00: * H LYS 43 + HD2 LYS 43 OK 95 100 - 95 - 5.9=62, 1276/2.9=25...(22) H LYS 43 + HD3 LYS 43 OK 93 97 - 95 - 5.9=62, 1276/2.9=25...(23) H LYS 43 + HD3 LYS 20 OK 52 90 - 58 - 1276/3.0=10, ~3063=7...(21) H LYS 43 + HD2 LYS 20 OK 50 87 - 58 - 1276/3.0=10, ~3063=7...(21) H LYS 43 - HD3 LYS 73 OK 23 97 - 23 - 3.0/3816=3, ~11646=2...(12) H LYS 43 - HD2 LYS 73 OK 22 96 - 23 - 3.0/3816=3, ~11646=2...(12) H LYS 43 - HD3 LYS 96 OK 18 94 - 19 - 3.0/3816=2, 1278=2...(8) H LYS 43 - HD2 LYS 96 OK 17 96 - 18 - 1278=2, 3.0/3816=2...(7) Peak 3861 from cnoeabs.peaks (4.09, 1.68, 28.78 ppm; 3.29 A): 4 out of 40 assignments used, quality = 0.99: * HA LYS 43 + HD2 LYS 43 OK 77 100 - 77 - 4.8=32, 3814/2.9=16...(16) HA LYS 43 + HD3 LYS 43 OK 74 97 - 76 - 4.8=32, 3814/2.9=16...(16) HA LYS 20 + HD3 LYS 20 OK 72 90 - 79 - 5.3=24, 3063/3.0=16...(24) HA LYS 20 + HD2 LYS 20 OK 69 87 - 79 - 5.3=24, 3063/3.0=16...(24) HA LYS 43 - HD3 LYS 20 OK 36 90 - 40 - 3814/3.0=8, 3073/3.0=6...(13) HA LYS 43 - HD2 LYS 20 OK 34 87 - 40 - 3814/3.0=8, 3073/3.0=6...(13) HA LYS 20 - HD2 LYS 43 OK 33 100 - 33 - 3841/2.9=6, 3039=4...(10) HA LYS 20 - HD3 LYS 43 OK 32 97 - 33 - 3841/2.9=6, 3039=4...(10) HA LYS 20 - HD3 LYS 73 OK 30 97 - 31 - 3037/3.0=5, 3039=4...(10) HA LYS 20 - HD2 LYS 73 OK 29 96 - 31 - 3037/3.0=5, 3039=4...(10) HA LYS 43 - HD3 LYS 73 OK 19 97 - 20 - 3816=3, 3816/1.8=2...(4) HA LYS 43 - HD2 LYS 73 OK 19 96 - 19 - 3816=2, 3816/1.8=2...(4) HA LYS 43 - HD3 LYS 96 OK 11 94 - 12 - 3816=2, 3816/1.8=1 HA LYS 43 - HD2 LYS 96 OK 11 96 - 12 - 3816=2, 3816/1.8=1 HA ASP 110 - HD2 LYS 43 OK 10 97 - 11 - 3.0/10382=2, 3841/2.9=2...(5) HA ASP 110 - HD3 LYS 43 poor 10 93 - 11 - 3.0/10382=2, 3841/2.9=2...(5) HA ASP 110 - HD3 LYS 20 lone 8 85 - 9 - 3.0/10382=1, 3073/3.0=1 HA ASP 110 - HD2 LYS 20 lone 8 81 - 9 - 3073/3.0=1, 3.0/10382=1...(4) HA LYS 20 - HD2 LYS 96 lone 7 96 - 7 - HA LYS 20 - HD3 LYS 96 lone 7 94 - 7 - HA GLU 91 - HD2 LYS 96 lone 2 70 - 3 - HA GLU 91 - HD3 LYS 96 lone 2 68 - 3 - HA ASP 110 - HD3 LYS 73 lone 1 93 - 1 - HA ASP 110 - HD2 LYS 73 lone 1 90 - 1 - HA GLN 62 - HD3 LYS 20 lone 1 57 - 2 - HA GLN 62 - HD2 LYS 20 lone 1 54 - 2 - HA ASP 110 - HD2 LYS 96 lone 1 91 - 1 - HA ASP 110 - HD3 LYS 96 lone 1 88 - 1 - HA GLU 91 - HD2 LYS 43 lone 1 77 - 1 - HA GLU 91 - HD3 LYS 20 lone 1 64 - 1 - HA GLU 91 - HD3 LYS 43 lone 1 72 - 1 - HA GLU 91 - HD2 LYS 20 lone 1 61 - 1 - HA GLN 62 - HD2 LYS 43 lone 0 70 - 1 - HA GLN 62 - HD3 LYS 43 lone 0 64 - 1 - HA GLU 91 - HD3 LYS 73 lone 0 72 - 1 - HA GLU 91 - HD2 LYS 73 lone 0 70 - 1 - HA GLN 62 - HD2 LYS 96 lone 0 63 - 1 - HA GLN 62 - HD3 LYS 96 lone 0 60 - 1 - HA GLN 62 - HD3 LYS 73 lone 0 64 - 0 - HA GLN 62 - HD2 LYS 73 lone 0 62 - 0 - Peak 3862 from cnoeabs.peaks (1.91, 1.68, 28.78 ppm; 2.72 A): 12 out of 160 assignments used, quality = 1.00: HB2 LYS 96 + HD2 LYS 96 OK 77 92 - 84 - 3.4=49, 1.8/6097=8...(39) HB2 LYS 96 + HD3 LYS 96 OK 75 90 - 84 - 3.4=49, 1.8/6097=8...(38) * HB2 LYS 43 + HD2 LYS 43 OK 73 100 - 73 - 3.8=35, 3.0/3846=7...(31) HB3 LYS 43 + HD2 LYS 43 OK 71 98 - 72 - 3.8=35, 3.0/3846=7...(31) HB2 LYS 43 + HD3 LYS 43 OK 70 97 - 72 - 3.8=35, 3.0/3846=6...(28) HB3 LYS 43 + HD3 LYS 43 OK 67 94 - 71 - 3.8=35, 3.0/3846=6...(28) HB2 LYS 73 + HD3 LYS 73 OK 61 82 - 75 - 3.8=35, 2.9/5170=7...(35) HB2 LYS 73 + HD2 LYS 73 OK 59 79 - 75 - 3.8=35, 2.9/5170=7...(35) HB3 LYS 73 + HD3 LYS 73 OK 58 78 - 74 - 3.8=35, 2.9/5170=7...(35) HB3 LYS 73 + HD2 LYS 73 OK 57 76 - 74 - 3.8=35, 2.9/5170=7...(35) HB2 LYS 20 + HD3 LYS 20 OK 46 57 - 81 - 3.4=49, 2.9/3079=6...(37) HB3 LYS 20 + HD3 LYS 20 OK 46 57 - 81 - 3.4=49, 2.9/3079=6...(37) HB2 LYS 20 - HD2 LYS 20 OK 44 54 - 81 - 3.4=49, 2.9/3079=6...(38) HB3 LYS 20 - HD2 LYS 20 OK 44 54 - 81 - 3.4=49, 2.9/3079=6...(38) HB3 LYS 44 - HD2 LYS 96 OK 38 96 - 40 - 2.9/6107=2, 2.9/6126=1...(7) HB2 LYS 44 - HD2 LYS 96 OK 38 94 - 40 - 2.9/6107=2, 3915/3.0=2...(7) HB3 LYS 44 - HD3 LYS 96 OK 36 94 - 38 - 2.9/6107=2, 3915/3.0=1...(7) HB2 LYS 44 - HD3 LYS 96 OK 35 92 - 39 - 2.9/6107=2, 3915/3.0=2...(7) HB2 LYS 43 - HD3 LYS 20 OK 25 90 - 27 - 3.0/3816=2, 3.0/3846=2...(6) HB2 LYS 43 - HD2 LYS 20 OK 24 87 - 27 - 3.0/3816=2, 3.0/3846=1...(6) HB3 LYS 43 - HD3 LYS 20 OK 22 86 - 26 - 3.0/3816=2, 3.0/3846=2...(6) HB3 LYS 43 - HD2 LYS 20 OK 21 83 - 26 - 3.0/3816=2, 3.0/3846=1...(6) HB2 LYS 20 - HD2 LYS 43 OK 21 70 - 30 - 2.9/3069=2, 2.9/3079=2...(5) HB3 LYS 20 - HD2 LYS 43 OK 21 70 - 30 - 2.9/3069=2, 2.9/3079=2...(5) HB2 LYS 73 - HD2 LYS 43 OK 19 87 - 22 - 2.9/5170=2, 2.9/5187=1 HB2 LYS 20 - HD3 LYS 43 OK 19 64 - 30 - 2.9/3069=2, 2.9/3079=2...(5) HB3 LYS 20 - HD3 LYS 43 OK 19 64 - 30 - 2.9/3069=2, 2.9/3079=2...(5) HB2 LYS 20 - HD3 LYS 73 OK 19 64 - 30 - 2.9/3079=2, 2.9/3069=2 HB3 LYS 20 - HD3 LYS 73 OK 19 64 - 30 - 2.9/3079=2, 2.9/3069=2 HB2 LYS 43 - HD3 LYS 73 OK 19 97 - 19 - 3.0/3846=1 HB3 LYS 20 - HD2 LYS 73 OK 18 62 - 30 - 2.9/3079=2, 2.9/3069=2 HB2 LYS 20 - HD2 LYS 73 OK 18 62 - 30 - 2.9/3079=2, 2.9/3069=2 HB3 LYS 73 - HD2 LYS 43 OK 18 84 - 22 - 2.9/5170=2, 2.9/5187=1 HB2 LYS 43 - HD2 LYS 73 OK 18 96 - 19 - 3.0/3846=1 HB2 LYS 73 - HD3 LYS 43 OK 18 82 - 22 - 2.9/5170=2, 2.9/5187=1 HB3 LYS 43 - HD3 LYS 73 OK 17 94 - 18 - 3.0/3846=1 HB3 LYS 73 - HD3 LYS 43 OK 17 78 - 22 - 2.9/5170=2, 2.9/5187=1 HB3 LYS 43 - HD2 LYS 73 OK 17 92 - 18 - 3.0/3846=1 HB2 LYS 73 - HD3 LYS 20 OK 16 73 - 23 - 2.9/5170=2, 2.9/5187=1 HB2 LYS 73 - HD2 LYS 20 OK 16 70 - 23 - 2.9/5170=2, 2.9/5187=1 HB3 LYS 73 - HD3 LYS 20 OK 15 70 - 22 - 2.9/5170=2, 2.9/5187=1 HB2 LYS 96 - HD3 LYS 73 OK 15 94 - 16 - 1.8/6097=2 HB3 LYS 73 - HD2 LYS 20 OK 15 67 - 22 - 2.9/5170=2, 2.9/5187=1 HB2 LYS 96 - HD2 LYS 73 OK 14 92 - 16 - 1.8/6097=2 HB2 LYS 96 - HD2 LYS 43 OK 13 98 - 14 - 1.8/6097=1 HB2 LYS 96 - HD3 LYS 20 OK 13 86 - 15 - 1.8/6097=2 HB2 LYS 96 - HD2 LYS 20 OK 13 83 - 15 - 1.8/6097=2 HB2 LYS 96 - HD3 LYS 43 OK 13 94 - 13 - 1.8/6097=1 HB2 ARG 95 - HD2 LYS 96 OK 12 85 - 14 - 7789/5.7=2, 3.0/6020=2...(4) HB2 ARG 95 - HD3 LYS 96 OK 12 82 - 14 - 7789/5.7=2, 3.0/6020=2...(5) HB2 LYS 43 - HD2 LYS 96 OK 10 96 - 11 - HB2 LYS 43 - HD3 LYS 96 poor 10 94 - 10 - HB2 LYS 44 - HD2 LYS 43 lone 10 99 - 10 - HB3 LYS 43 - HD2 LYS 96 poor 10 92 - 10 - HB3 LYS 44 - HD2 LYS 43 lone 9 100 - 10 - HB3 LYS 43 - HD3 LYS 96 poor 9 90 - 10 - HB2 LYS 44 - HD3 LYS 43 lone 8 96 - 9 - HB3 LYS 44 - HD3 LYS 43 lone 8 97 - 8 - HB2 LYS 73 - HD2 LYS 96 poor 8 80 - 10 - HB3 LYS 17 - HD3 LYS 20 poor 8 64 - 12 - ~11542=2, ~11543=2...(5) HB2 LYS 73 - HD3 LYS 96 lone 8 77 - 10 - HB2 LYS 44 - HD3 LYS 73 lone 8 96 - 8 - HB3 LYS 73 - HD2 LYS 96 lone 8 77 - 10 - HB2 LYS 44 - HD2 LYS 73 lone 7 94 - 8 - HB3 LYS 17 - HD2 LYS 20 poor 7 61 - 12 - ~11542=2, ~11543=2...(5) HB3 LYS 44 - HD3 LYS 73 lone 7 97 - 7 - HB3 LYS 73 - HD3 LYS 96 lone 7 74 - 10 - HB3 LYS 44 - HD2 LYS 73 lone 7 96 - 7 - HB2 LYS 20 - HD2 LYS 96 poor 7 63 - 11 - HB3 LYS 20 - HD2 LYS 96 poor 7 63 - 11 - HB2 LYS 20 - HD3 LYS 96 poor 6 60 - 10 - HB3 LYS 20 - HD3 LYS 96 poor 6 60 - 10 - HB2 LEU 45 - HD3 LYS 73 lone 5 97 - 5 - HB2 LEU 45 - HD2 LYS 73 lone 5 95 - 5 - HB ILE 71 - HD3 LYS 73 lone 5 84 - 5 - ~9773=1 HB ILE 71 - HD2 LYS 73 lone 4 82 - 5 - ~9773=1 HB2 LEU 45 - HD3 LYS 20 lone 4 89 - 4 - HB3 LYS 123 - HD2 LYS 96 lone 4 91 - 4 - HB3 LYS 123 - HD3 LYS 96 lone 4 88 - 4 - HB2 LEU 45 - HD2 LYS 20 lone 4 86 - 4 - HB2 ARG 95 - HD3 LYS 20 lone 3 78 - 4 - HB2 ARG 95 - HD2 LYS 20 lone 3 75 - 4 - HB2 LEU 45 - HD2 LYS 96 lone 3 95 - 3 - HB2 LEU 45 - HD3 LYS 96 lone 3 93 - 3 - HB2 LYS 44 - HD3 LYS 20 lone 3 89 - 3 - HB3 LYS 44 - HD3 LYS 20 lone 3 90 - 3 - HB2 LYS 44 - HD2 LYS 20 lone 3 85 - 3 - HB3 LYS 44 - HD2 LYS 20 lone 3 87 - 3 - HB2 ARG 95 - HD3 LYS 73 lone 3 87 - 3 - HB2 ARG 95 - HD2 LYS 43 lone 3 92 - 3 - HB2 ARG 95 - HD2 LYS 73 lone 3 84 - 3 - HB2 ARG 95 - HD3 LYS 43 lone 3 87 - 3 - HB2 LEU 45 - HD2 LYS 43 lone 2 100 - 2 - HB2 LEU 45 - HD3 LYS 43 lone 2 97 - 2 - HB ILE 71 - HD2 LYS 96 lone 2 82 - 2 - HB ILE 71 - HD3 LYS 96 lone 2 80 - 2 - HB ILE 15 - HD3 LYS 73 lone 1 91 - 1 - HB ILE 15 - HD2 LYS 73 lone 1 89 - 1 - HB3 LYS 123 - HD3 LYS 43 lone 1 93 - 1 - HB2 GLU 128 - HD2 LYS 96 lone 1 92 - 1 - HB2 GLU 128 - HD3 LYS 96 lone 1 90 - 1 - HB3 LYS 17 - HD2 LYS 96 lone 1 70 - 1 - HB3 LYS 123 - HD2 LYS 43 lone 1 97 - 1 - HB ILE 71 - HD3 LYS 20 lone 1 76 - 1 - HB3 LYS 17 - HD3 LYS 96 lone 1 68 - 1 - HB ILE 71 - HD2 LYS 20 lone 1 72 - 1 - HB3 LYS 123 - HD3 LYS 20 lone 1 85 - 1 - HB3 LYS 123 - HD3 LYS 73 lone 1 93 - 1 - HB3 LYS 123 - HD2 LYS 20 lone 1 81 - 1 - HB3 LYS 17 - HD2 LYS 43 lone 1 77 - 1 - HB3 LYS 123 - HD2 LYS 73 lone 1 90 - 1 - HB3 LYS 17 - HD3 LYS 43 lone 1 72 - 1 - HB3 LYS 17 - HD3 LYS 73 lone 1 72 - 1 - HB3 LYS 17 - HD2 LYS 73 lone 1 70 - 1 - HB ILE 7 - HD2 LYS 43 lone 0 77 - 1 - HB ILE 71 - HD3 LYS 43 lone 0 84 - 1 - HB ILE 71 - HD2 LYS 43 lone 0 90 - 0 - HB ILE 7 - HD3 LYS 43 lone 0 72 - 1 - HB ILE 7 - HD3 LYS 20 lone 0 64 - 1 - HB ILE 15 - HD3 LYS 20 lone 0 83 - 0 - HB ILE 7 - HD2 LYS 20 lone 0 61 - 1 - HB2 LYS 49 - HD2 LYS 96 lone 0 89 - 0 - HB ILE 15 - HD2 LYS 20 lone 0 79 - 0 - HB2 LYS 49 - HD3 LYS 96 lone 0 87 - 0 - HB ILE 15 - HD2 LYS 43 lone 0 96 - 0 - HB ILE 7 - HD2 LYS 96 lone 0 70 - 0 - HB2 LYS 49 - HD3 LYS 20 lone 0 83 - 0 - HB ILE 7 - HD3 LYS 73 lone 0 72 - 0 - HB ILE 15 - HD3 LYS 43 lone 0 91 - 0 - HB ILE 7 - HD3 LYS 96 lone 0 68 - 0 - HB2 GLU 128 - HD3 LYS 73 lone 0 94 - 0 - HB2 LYS 49 - HD2 LYS 20 lone 0 79 - 0 - HB ILE 7 - HD2 LYS 73 lone 0 70 - 0 - HB2 GLU 128 - HD2 LYS 73 lone 0 92 - 0 - HB2 GLU 128 - HD2 LYS 43 lone 0 98 - 0 - HB2 GLU 128 - HD3 LYS 43 lone 0 94 - 0 - HB ILE 15 - HD2 LYS 96 lone 0 89 - 0 - HB ILE 15 - HD3 LYS 96 lone 0 87 - 0 - HB2 LYS 49 - HD2 LYS 43 lone 0 96 - 0 - HB2 GLU 128 - HD3 LYS 20 lone 0 86 - 0 - HB2 LYS 49 - HD3 LYS 73 lone 0 91 - 0 - HG2 MET 121 - HD3 LYS 20 lone 0 78 - 0 - HB2 LYS 49 - HD2 LYS 73 lone 0 89 - 0 - HB2 LYS 49 - HD3 LYS 43 lone 0 91 - 0 - HB2 GLU 128 - HD2 LYS 20 lone 0 83 - 0 - HG2 MET 121 - HD2 LYS 20 lone 0 75 - 0 - HB2 LEU 81 - HD2 LYS 96 lone 0 80 - 0 - HB2 LEU 81 - HD3 LYS 96 lone 0 77 - 0 - HB2 LEU 81 - HD3 LYS 73 lone 0 82 - 0 - HG2 MET 121 - HD3 LYS 73 lone 0 87 - 0 - HB2 LEU 81 - HD2 LYS 73 lone 0 79 - 0 - HG2 MET 121 - HD2 LYS 73 lone 0 84 - 0 - HG2 MET 121 - HD2 LYS 96 lone 0 85 - 0 - HG2 MET 121 - HD2 LYS 43 lone 0 92 - 0 - HB2 LEU 81 - HD2 LYS 43 lone 0 87 - 0 - HG2 MET 121 - HD3 LYS 96 lone 0 82 - 0 - HG2 MET 121 - HD3 LYS 43 lone 0 87 - 0 - HB2 LEU 81 - HD3 LYS 43 lone 0 82 - 0 - HB2 LEU 81 - HD3 LYS 20 lone 0 73 - 0 - HB2 LEU 81 - HD2 LYS 20 lone 0 70 - 0 - Peak 3863 from cnoeabs.peaks (1.90, 1.68, 28.78 ppm; 2.72 A): 14 out of 160 assignments used, quality = 1.00: HB2 LYS 96 + HD2 LYS 96 OK 80 96 - 84 - 3.4=49, 1.8/6097=8...(39) HB2 LYS 96 + HD3 LYS 96 OK 78 94 - 84 - 3.4=49, 1.8/6097=8...(38) * HB3 LYS 43 + HD2 LYS 43 OK 72 100 - 72 - 3.8=35, 3.0/3846=7...(31) HB2 LYS 43 + HD2 LYS 43 OK 71 98 - 73 - 3.8=35, 3.0/3846=7...(31) HB2 LYS 73 + HD3 LYS 73 OK 70 94 - 75 - 3.8=35, 2.9/5170=7...(35) HB3 LYS 43 + HD3 LYS 43 OK 69 97 - 71 - 3.8=35, 3.0/3846=6...(28) HB3 LYS 73 + HD3 LYS 73 OK 69 93 - 75 - 3.8=35, 2.9/5170=7...(35) HB2 LYS 73 + HD2 LYS 73 OK 69 92 - 75 - 3.8=35, 2.9/5170=7...(35) HB2 LYS 43 + HD3 LYS 43 OK 68 94 - 72 - 3.8=35, 3.0/3846=6...(28) HB3 LYS 73 + HD2 LYS 73 OK 67 90 - 74 - 3.8=35, 2.9/5170=7...(35) HB2 LYS 20 + HD3 LYS 20 OK 62 76 - 81 - 3.4=49, 2.9/3079=6...(38) HB3 LYS 20 + HD3 LYS 20 OK 62 76 - 81 - 3.4=49, 2.9/3079=6...(38) HB2 LYS 20 + HD2 LYS 20 OK 59 72 - 82 - 3.4=49, 2.9/3079=6...(39) HB3 LYS 20 + HD2 LYS 20 OK 59 72 - 82 - 3.4=49, 2.9/3079=6...(39) HB3 LYS 44 - HD2 LYS 96 OK 37 94 - 40 - 2.9/6107=2, 2.9/6126=1...(7) HB3 LYS 44 - HD3 LYS 96 OK 35 91 - 38 - 2.9/6107=2, 2.9/6126=1...(7) HB2 LYS 44 - HD2 LYS 96 OK 34 85 - 40 - 2.9/6107=2, 2.9/6126=1...(7) HB2 LYS 44 - HD3 LYS 96 OK 31 82 - 39 - 2.9/6107=2, 2.9/6126=1...(7) HB2 LYS 20 - HD2 LYS 43 OK 27 90 - 30 - 2.9/3069=2, 2.9/3079=2...(5) HB3 LYS 20 - HD2 LYS 43 OK 27 90 - 30 - 2.9/3069=2, 2.9/3079=2...(5) HB2 LYS 20 - HD3 LYS 73 OK 25 84 - 30 - 2.9/3079=2, 2.9/3069=2 HB3 LYS 20 - HD3 LYS 73 OK 25 84 - 30 - 2.9/3079=2, 2.9/3069=2 HB3 LYS 20 - HD3 LYS 43 OK 25 84 - 30 - 2.9/3069=2, 2.9/3079=2...(5) HB2 LYS 20 - HD3 LYS 43 OK 25 84 - 30 - 2.9/3069=2, 2.9/3079=2...(5) HB3 LYS 20 - HD2 LYS 73 OK 25 82 - 30 - 2.9/3079=2, 2.9/3069=2 HB2 LYS 20 - HD2 LYS 73 OK 25 82 - 30 - 2.9/3079=2, 2.9/3069=2 HB3 LYS 43 - HD3 LYS 20 OK 24 90 - 26 - 3.0/3816=2, 3.0/3846=2...(6) HB2 LYS 43 - HD3 LYS 20 OK 23 86 - 27 - 3.0/3816=2, 3.0/3846=2...(6) HB3 LYS 43 - HD2 LYS 20 OK 23 87 - 26 - 3.0/3816=2, 3.0/3846=1...(6) HB2 LYS 43 - HD2 LYS 20 OK 22 83 - 27 - 3.0/3816=2, 3.0/3846=1...(6) HB2 LYS 73 - HD2 LYS 43 OK 22 98 - 23 - 2.9/5170=2, 2.9/5187=1 HB3 LYS 73 - HD2 LYS 43 OK 21 97 - 22 - 2.9/5170=2, 2.9/5187=1 HB2 LYS 73 - HD3 LYS 43 OK 21 94 - 22 - 2.9/5170=2, 2.9/5187=1 HB3 LYS 73 - HD3 LYS 43 OK 20 93 - 22 - 2.9/5170=2, 2.9/5187=1 HB2 LYS 73 - HD3 LYS 20 OK 20 86 - 23 - 2.9/5170=2, 2.9/5187=1 HB3 LYS 73 - HD3 LYS 20 OK 19 85 - 23 - 2.9/5170=2, 2.9/5187=1 HB2 LYS 73 - HD2 LYS 20 OK 19 83 - 23 - 2.9/5170=2, 2.9/5187=1 HB3 LYS 73 - HD2 LYS 20 OK 18 81 - 23 - 2.9/5170=2, 2.9/5187=1 HB2 LYS 43 - HD3 LYS 73 OK 18 94 - 19 - 3.0/3846=1 HB3 LYS 43 - HD3 LYS 73 OK 18 97 - 18 - 3.0/3846=1 HB2 LYS 43 - HD2 LYS 73 OK 18 92 - 19 - 3.0/3846=1 HB3 LYS 43 - HD2 LYS 73 OK 18 96 - 18 - 3.0/3846=1 HB2 LYS 96 - HD3 LYS 73 OK 15 97 - 16 - 1.8/6097=2 HB2 LYS 96 - HD2 LYS 73 OK 15 96 - 16 - 1.8/6097=2 HB2 LYS 96 - HD3 LYS 20 OK 14 90 - 15 - 1.8/6097=2 HB2 ARG 95 - HD2 LYS 96 OK 14 94 - 15 - 7789/5.7=3, 3.0/6020=2...(4) HB2 LYS 96 - HD2 LYS 43 OK 14 100 - 14 - 1.8/6097=1 HB2 ARG 95 - HD3 LYS 96 OK 13 92 - 15 - 7789/5.7=3, 3.0/6020=2...(5) HB2 LYS 96 - HD2 LYS 20 OK 13 87 - 15 - 1.8/6097=2 HB2 LYS 96 - HD3 LYS 43 OK 13 97 - 13 - 1.8/6097=1 HB3 LYS 43 - HD2 LYS 96 OK 10 96 - 10 - HB2 LYS 43 - HD2 LYS 96 poor 10 92 - 11 - HB3 LYS 43 - HD3 LYS 96 poor 10 94 - 10 - HB2 LYS 73 - HD2 LYS 96 poor 9 92 - 10 - HB2 LYS 43 - HD3 LYS 96 poor 9 90 - 10 - HB3 LYS 44 - HD2 LYS 43 lone 9 99 - 9 - HB3 LYS 73 - HD2 LYS 96 lone 9 91 - 10 - HB2 LYS 73 - HD3 LYS 96 lone 9 90 - 10 - HB2 LYS 44 - HD2 LYS 43 lone 9 92 - 10 - HB3 LYS 73 - HD3 LYS 96 lone 9 88 - 10 - HB3 LYS 20 - HD2 LYS 96 poor 9 82 - 11 - HB2 LYS 20 - HD2 LYS 96 poor 9 82 - 11 - HB3 LYS 20 - HD3 LYS 96 poor 9 80 - 11 - HB2 LYS 20 - HD3 LYS 96 poor 9 80 - 11 - HB3 LYS 44 - HD3 LYS 43 lone 8 95 - 8 - HB2 LYS 44 - HD3 LYS 43 lone 8 87 - 9 - HB3 LYS 44 - HD3 LYS 73 lone 7 95 - 8 - HB3 LYS 44 - HD2 LYS 73 lone 7 93 - 7 - HB2 LYS 44 - HD3 LYS 73 lone 7 87 - 8 - HB2 LYS 44 - HD2 LYS 73 lone 7 84 - 8 - HB ILE 71 - HD3 LYS 73 lone 5 95 - 5 - ~9773=1 HB ILE 71 - HD2 LYS 73 lone 5 93 - 5 - ~9773=1 HB2 LEU 45 - HD3 LYS 73 lone 5 97 - 5 - HB2 LEU 45 - HD2 LYS 73 lone 5 95 - 5 - HB2 ARG 95 - HD3 LYS 20 lone 4 89 - 5 - HB2 ARG 95 - HD2 LYS 20 lone 4 85 - 4 - HB2 LEU 45 - HD3 LYS 20 lone 4 89 - 4 - HB2 LEU 45 - HD2 LYS 20 lone 4 86 - 4 - HB2 LEU 45 - HD2 LYS 96 lone 3 95 - 3 - HB2 ARG 95 - HD3 LYS 73 lone 3 96 - 3 - HB2 LEU 45 - HD3 LYS 96 lone 3 93 - 3 - HB2 ARG 95 - HD2 LYS 73 lone 3 94 - 3 - HB2 ARG 95 - HD2 LYS 43 lone 3 99 - 3 - HB3 LYS 123 - HD2 LYS 96 lone 3 77 - 4 - HB3 LYS 123 - HD3 LYS 96 lone 3 74 - 4 - HB3 LYS 44 - HD3 LYS 20 lone 3 87 - 3 - HB2 ARG 95 - HD3 LYS 43 lone 3 96 - 3 - HB3 LYS 44 - HD2 LYS 20 lone 3 84 - 3 - HB2 LYS 44 - HD3 LYS 20 lone 3 78 - 3 - HB2 LYS 44 - HD2 LYS 20 lone 3 75 - 3 - HB2 LEU 45 - HD2 LYS 43 lone 2 100 - 2 - HB2 LEU 45 - HD3 LYS 43 lone 2 97 - 2 - HB ILE 71 - HD2 LYS 96 lone 2 94 - 2 - HB ILE 71 - HD3 LYS 96 lone 2 91 - 2 - HG LEU 45 - HD3 LYS 73 lone 2 57 - 3 - HG LEU 45 - HD2 LYS 73 lone 2 55 - 3 - HG LEU 45 - HD3 LYS 20 lone 2 50 - 3 - HG LEU 45 - HD2 LYS 20 lone 2 47 - 3 - HG LEU 45 - HD2 LYS 96 lone 1 55 - 3 - HG LEU 45 - HD3 LYS 96 lone 1 53 - 3 - HG LEU 45 - HD2 LYS 43 lone 1 61 - 2 - HB ILE 71 - HD3 LYS 20 lone 1 87 - 1 - HB2 GLU 128 - HD2 LYS 96 lone 1 96 - 1 - HB ILE 71 - HD2 LYS 20 lone 1 84 - 1 - HB2 GLU 128 - HD3 LYS 96 lone 1 94 - 1 - HG LEU 45 - HD3 LYS 43 lone 1 57 - 2 - HB ILE 15 - HD3 LYS 73 lone 1 75 - 1 - HB ILE 15 - HD2 LYS 73 lone 1 73 - 1 - HB3 LYS 123 - HD3 LYS 43 lone 1 78 - 1 - HB3 LYS 123 - HD2 LYS 43 lone 1 84 - 1 - HB3 LYS 123 - HD3 LYS 20 lone 1 70 - 1 - HB3 LYS 123 - HD3 LYS 73 lone 1 78 - 1 - HB3 LYS 123 - HD2 LYS 73 lone 1 76 - 1 - HB3 LYS 123 - HD2 LYS 20 lone 1 67 - 1 - HB ILE 7 - HD2 LYS 43 lone 1 94 - 1 - HB ILE 7 - HD3 LYS 43 lone 1 89 - 1 - HB ILE 7 - HD3 LYS 20 lone 1 81 - 1 - HB ILE 71 - HD3 LYS 43 lone 1 95 - 1 - HB ILE 71 - HD2 LYS 43 lone 0 99 - 0 - HB ILE 7 - HD2 LYS 20 lone 1 77 - 1 - HB ILE 7 - HD2 LYS 96 lone 0 87 - 0 - HB ILE 7 - HD3 LYS 73 lone 0 89 - 0 - HB ILE 7 - HD3 LYS 96 lone 0 85 - 0 - HB ILE 7 - HD2 LYS 73 lone 0 87 - 0 - HB2 LYS 49 - HD2 LYS 96 lone 0 96 - 0 - HB2 LYS 49 - HD3 LYS 96 lone 0 93 - 0 - HB2 LYS 49 - HD3 LYS 20 lone 0 90 - 0 - HB2 LYS 49 - HD2 LYS 20 lone 0 86 - 0 - HB2 GLU 128 - HD3 LYS 73 lone 0 97 - 0 - HB2 GLU 128 - HD2 LYS 73 lone 0 96 - 0 - HB2 GLU 128 - HD2 LYS 43 lone 0 100 - 0 - HB2 GLU 128 - HD3 LYS 43 lone 0 97 - 0 - HB2 GLU 128 - HD3 LYS 20 lone 0 90 - 0 - HB2 LYS 49 - HD3 LYS 73 lone 0 97 - 0 - HB2 LYS 49 - HD2 LYS 43 lone 0 100 - 0 - HB2 LYS 49 - HD2 LYS 73 lone 0 95 - 0 - HB2 GLU 128 - HD2 LYS 20 lone 0 87 - 0 - HB2 LYS 49 - HD3 LYS 43 lone 0 97 - 0 - HB ILE 15 - HD3 LYS 20 lone 0 67 - 0 - HB ILE 15 - HD2 LYS 20 lone 0 64 - 0 - HB ILE 15 - HD2 LYS 43 lone 0 81 - 0 - HB ILE 15 - HD3 LYS 43 lone 0 75 - 0 - HB ILE 15 - HD2 LYS 96 lone 0 73 - 0 - HB ILE 15 - HD3 LYS 96 lone 0 71 - 0 - HG2 MET 121 - HD3 LYS 20 lone 0 60 - 0 - HG2 MET 121 - HD2 LYS 20 lone 0 57 - 0 - HG2 MET 121 - HD3 LYS 73 lone 0 68 - 0 - HB2 LEU 81 - HD2 LYS 96 lone 0 59 - 0 - HB2 LEU 81 - HD3 LYS 73 lone 0 61 - 0 - HG2 MET 121 - HD2 LYS 73 lone 0 66 - 0 - HG2 MET 121 - HD2 LYS 43 lone 0 73 - 0 - HB2 LEU 81 - HD3 LYS 96 lone 0 57 - 0 - HB2 LEU 81 - HD2 LYS 73 lone 0 58 - 0 - HG2 MET 121 - HD2 LYS 96 lone 0 66 - 0 - HG2 MET 121 - HD3 LYS 43 lone 0 68 - 0 - HG2 MET 121 - HD3 LYS 96 lone 0 64 - 0 - HB2 LEU 81 - HD2 LYS 43 lone 0 65 - 0 - HB2 LEU 81 - HD3 LYS 43 lone 0 61 - 0 - HB2 LEU 81 - HD3 LYS 20 lone 0 53 - 0 - HB2 LEU 81 - HD2 LYS 20 lone 0 50 - 0 - Peak 3864 from cnoeabs.peaks (1.51, 1.68, 28.78 ppm; 2.40 A): 4 out of 88 assignments used, quality = 0.99: * HG2 LYS 43 + HD2 LYS 43 OK 76 100 - 76 - 2.9=56, 3846/1.8=8...(16) HG2 LYS 43 + HD3 LYS 43 OK 73 97 - 75 - 2.9=56, 3846/1.8=8...(16) HG2 LYS 20 + HD3 LYS 20 OK 63 85 - 74 - 3.0=54, 3068/1.8=7...(13) HG2 LYS 20 + HD2 LYS 20 OK 60 81 - 74 - 3.0=54, 3068/1.8=7...(13) HG2 LYS 20 - HD2 LYS 43 OK 23 97 - 23 - 3069=3, 3069/1.8=2...(8) HG2 LYS 20 - HD3 LYS 43 OK 21 93 - 23 - 3069=3, 3069/1.8=2...(6) HG2 LYS 20 - HD3 LYS 73 OK 19 93 - 21 - 3069=3, 1.8/3079=2...(5) HG2 LYS 20 - HD2 LYS 73 OK 19 90 - 21 - 3069=3, 1.8/3079=2...(5) HG2 LYS 43 - HD3 LYS 20 OK 16 90 - 17 - 3846=3, 3847/1.8=2, 3841/5.3=1 HG2 LYS 43 - HD3 LYS 73 OK 15 97 - 16 - 3846=2, 3846/1.8=2 HG2 LYS 43 - HD2 LYS 20 OK 15 87 - 17 - 3846=3, 3847/1.8=2, 3841/5.3=1 HG2 LYS 43 - HD2 LYS 73 OK 15 96 - 16 - 3846=2, 3846/1.8=2 HG2 LYS 43 - HD2 LYS 96 lone 7 96 - 7 - 3846=1 HG2 LYS 43 - HD3 LYS 96 lone 7 94 - 7 - 3846=1 HG2 LYS 20 - HD2 LYS 96 lone 7 91 - 7 - HG2 LYS 20 - HD3 LYS 96 lone 6 88 - 7 - 3069=1 HD3 LYS 17 - HD3 LYS 20 lone 2 89 - 2 - HD3 LYS 17 - HD2 LYS 20 lone 2 85 - 2 - HB3 LEU 14 - HD3 LYS 20 lone 1 64 - 2 - HB3 LEU 14 - HD2 LYS 20 lone 1 61 - 2 - QB ALA 124 - HD3 LYS 73 lone 1 89 - 1 - QB ALA 124 - HD2 LYS 73 lone 1 87 - 1 - QB ALA 124 - HD2 LYS 43 lone 1 94 - 1 - HB2 LEU 6 - HD2 LYS 43 lone 1 99 - 1 - HB2 LEU 6 - HD3 LYS 20 lone 1 87 - 1 - QB ALA 124 - HD3 LYS 43 lone 1 89 - 1 - HB2 LEU 6 - HD3 LYS 43 lone 1 95 - 1 - HB2 LEU 6 - HD2 LYS 20 lone 1 84 - 1 - QB ALA 124 - HD3 LYS 20 lone 1 81 - 1 - QB ALA 124 - HD2 LYS 20 lone 1 77 - 1 - HD3 LYS 17 - HD2 LYS 43 lone 1 99 - 1 - HD3 LYS 17 - HD3 LYS 43 lone 1 96 - 1 - HB3 LEU 14 - HD2 LYS 43 lone 1 77 - 1 - HG LEU 38 - HD2 LYS 43 lone 1 96 - 1 - HB2 LEU 6 - HD3 LYS 73 lone 1 95 - 1 - HG LEU 38 - HD3 LYS 43 lone 1 91 - 1 - HB2 LEU 6 - HD2 LYS 73 lone 1 93 - 1 - HG LEU 6 - HD2 LYS 43 lone 1 97 - 1 - HB3 LEU 14 - HD3 LYS 43 lone 1 72 - 1 - HD3 LYS 17 - HD2 LYS 96 lone 1 94 - 1 - HD3 LYS 17 - HD3 LYS 96 lone 1 92 - 1 - HG LEU 6 - HD3 LYS 43 lone 1 93 - 1 - HB2 LEU 6 - HD2 LYS 96 lone 1 94 - 1 - HG LEU 6 - HD3 LYS 20 lone 1 85 - 1 - HB2 LEU 6 - HD3 LYS 96 lone 1 91 - 1 - HG LEU 6 - HD2 LYS 20 lone 1 81 - 1 - HG LEU 38 - HD2 LYS 96 lone 0 89 - 1 - QB ALA 124 - HD2 LYS 96 lone 0 87 - 1 - HG LEU 38 - HD3 LYS 96 lone 0 87 - 1 - QB ALA 124 - HD3 LYS 96 lone 0 85 - 1 - HD3 LYS 17 - HD3 LYS 73 lone 0 96 - 0 - HD3 LYS 17 - HD2 LYS 73 lone 0 94 - 0 - HG LEU 38 - HD3 LYS 20 lone 0 83 - 0 - HG LEU 6 - HD2 LYS 96 lone 0 91 - 0 - HG LEU 38 - HD2 LYS 20 lone 0 79 - 0 - HG LEU 6 - HD3 LYS 96 lone 0 88 - 0 - HG LEU 6 - HD3 LYS 73 lone 0 93 - 0 - HG LEU 6 - HD2 LYS 73 lone 0 90 - 0 - HG LEU 38 - HD3 LYS 73 lone 0 91 - 0 - HG LEU 38 - HD2 LYS 73 lone 0 89 - 0 - HB3 ARG 30 - HD2 LYS 43 lone 0 100 - 0 - HB3 ARG 30 - HD3 LYS 43 lone 0 97 - 0 - HB2 LYS 61 - HD2 LYS 43 lone 0 99 - 0 - HB2 LYS 61 - HD3 LYS 43 lone 0 96 - 0 - HB3 ARG 30 - HD3 LYS 20 lone 0 90 - 0 - HB3 ARG 30 - HD2 LYS 20 lone 0 87 - 0 - HB3 ARG 30 - HD2 LYS 96 lone 0 96 - 0 - HB3 ARG 30 - HD3 LYS 96 lone 0 94 - 0 - HB2 LYS 61 - HD3 LYS 20 lone 0 89 - 0 - HB3 ARG 30 - HD3 LYS 73 lone 0 97 - 0 - HB3 ARG 30 - HD2 LYS 73 lone 0 96 - 0 - HB2 LYS 61 - HD2 LYS 20 lone 0 85 - 0 - HB3 LEU 14 - HD3 LYS 73 lone 0 72 - 0 - HB2 LYS 61 - HD2 LYS 96 lone 0 94 - 0 - HG2 ARG 30 - HD2 LYS 96 lone 0 66 - 0 - HB2 LYS 61 - HD3 LYS 96 lone 0 92 - 0 - HB2 LYS 61 - HD3 LYS 73 lone 0 96 - 0 - HB3 LEU 14 - HD2 LYS 73 lone 0 70 - 0 - HG2 ARG 30 - HD2 LYS 43 lone 0 73 - 0 - HB2 LYS 61 - HD2 LYS 73 lone 0 94 - 0 - HG2 ARG 30 - HD3 LYS 96 lone 0 64 - 0 - HG2 ARG 30 - HD3 LYS 43 lone 0 68 - 0 - HB3 LEU 14 - HD2 LYS 96 lone 0 70 - 0 - HG2 ARG 30 - HD3 LYS 20 lone 0 60 - 0 - HB3 LEU 14 - HD3 LYS 96 lone 0 68 - 0 - HG2 ARG 30 - HD3 LYS 73 lone 0 68 - 0 - HG2 ARG 30 - HD2 LYS 20 lone 0 57 - 0 - HG2 ARG 30 - HD2 LYS 73 lone 0 66 - 0 - Peak 3865 from cnoeabs.peaks (1.37, 1.68, 28.78 ppm; 3.06 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 43 + HD2 LYS 43 OK 100 100 - 100 - 2.9=100 HG3 LYS 43 + HD3 LYS 43 OK 97 97 - 100 - 2.9=100 Peak 3866 from cnoeabs.peaks (1.68, 1.68, 28.78 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: * HD2 LYS 43 + HD2 LYS 43 OK 100 100 - 100 HD2 LYS 96 + HD2 LYS 96 OK 96 96 - 100 HD3 LYS 73 + HD3 LYS 73 OK 95 95 - 100 HD3 LYS 43 + HD3 LYS 43 OK 95 95 - 100 HD3 LYS 96 + HD3 LYS 96 OK 92 92 - 100 HD2 LYS 73 + HD2 LYS 73 OK 92 92 - 100 HD3 LYS 20 + HD3 LYS 20 OK 83 83 - 100 HD2 LYS 20 + HD2 LYS 20 OK 77 77 - 100 Peak 3867 from cnoeabs.peaks (1.68, 1.68, 28.78 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HD2 LYS 43 + HD2 LYS 43 OK 99 99 - 100 HD3 LYS 43 + HD3 LYS 43 OK 97 97 - 100 HD3 LYS 73 + HD3 LYS 73 OK 97 97 - 100 HD2 LYS 73 + HD2 LYS 73 OK 96 96 - 100 HD2 LYS 96 + HD2 LYS 96 OK 95 95 - 100 HD3 LYS 96 + HD3 LYS 96 OK 94 94 - 100 HD3 LYS 20 + HD3 LYS 20 OK 89 89 - 100 HD2 LYS 20 + HD2 LYS 20 OK 85 85 - 100 Reference assignment not found: HD3 LYS 43 - HD2 LYS 43 Peak 3868 from cnoeabs.peaks (2.98, 1.68, 28.78 ppm; 2.54 A): 10 out of 112 assignments used, quality = 1.00: HE2 LYS 73 + HD3 LYS 73 OK 77 97 - 79 - 2.9=66, 5197/3.0=5...(17) * HE2 LYS 43 + HD2 LYS 43 OK 76 100 - 76 - 3.0=62, 3.9/3846=4...(16) HE3 LYS 73 + HD3 LYS 73 OK 76 97 - 78 - 2.9=66, 5197/3.0=4...(17) HE2 LYS 73 + HD2 LYS 73 OK 76 95 - 79 - 2.9=66, 5197/3.0=5...(17) HE3 LYS 73 + HD2 LYS 73 OK 74 95 - 78 - 2.9=66, 5197/3.0=4...(17) HE3 LYS 43 + HD2 LYS 43 OK 74 99 - 75 - 3.0=62, 3.9/3846=4...(14) HE2 LYS 43 + HD3 LYS 43 OK 74 97 - 76 - 3.0=62, 3.9/3846=4...(16) HE3 LYS 43 + HD3 LYS 43 OK 71 95 - 75 - 3.0=62, 3.9/3846=4...(14) HE2 LYS 20 + HD3 LYS 20 OK 46 60 - 77 - 3.0=62, 3.9/3079=3...(17) HE3 LYS 20 + HD3 LYS 20 OK 46 60 - 77 - 3.0=62, 3.9/3079=3...(17) HE3 LYS 20 - HD2 LYS 20 OK 44 57 - 77 - 3.0=62, 3.9/3079=3...(17) HE2 LYS 20 - HD2 LYS 20 OK 44 57 - 77 - 3.0=62, 3.9/3079=3...(17) HE2 LYS 43 - HD3 LYS 20 OK 19 90 - 21 - 5198/3.0=1, 3884/3.0=1 HE2 LYS 43 - HD2 LYS 20 OK 18 87 - 21 - 5198/3.0=1, 3884/3.0=1 HE2 LYS 73 - HD3 LYS 20 OK 18 90 - 20 - 5198/3.0=1 HE2 LYS 73 - HD2 LYS 20 OK 17 86 - 20 - 5198/3.0=1 HE3 LYS 43 - HD3 LYS 20 OK 16 87 - 19 - 5198/3.0=1, 3884/3.0=1 HE3 LYS 73 - HD3 LYS 20 OK 16 89 - 18 - 5198/3.0=1 HE3 LYS 43 - HD2 LYS 20 OK 16 84 - 19 - 5198/3.0=1, 3884/3.0=1 HE3 LYS 73 - HD2 LYS 20 OK 15 86 - 18 - 5198/3.0=1 HE2 LYS 43 - HD3 LYS 73 OK 15 97 - 16 - 5197/3.0=2, 5171/3.0=1 HE2 LYS 43 - HD2 LYS 73 OK 15 96 - 16 - 5197/3.0=2, 5171/3.0=1 HE3 LYS 43 - HD3 LYS 73 OK 14 95 - 15 - 5197/3.0=1, 5171/3.0=1 HE3 LYS 43 - HD2 LYS 73 OK 13 93 - 15 - 5197/3.0=1, 5171/3.0=1 HE2 LYS 73 - HD2 LYS 43 OK 13 100 - 13 - 3848/2.9=1 HE2 LYS 73 - HD3 LYS 43 OK 12 97 - 13 - 3848/2.9=1 HE3 LYS 73 - HD2 LYS 43 OK 12 100 - 12 - 3848/2.9=1 HE3 LYS 73 - HD3 LYS 43 OK 11 97 - 12 - 3848/2.9=1 HE2 LYS 20 - HD2 LYS 43 poor 8 73 - 11 - HE3 LYS 20 - HD2 LYS 43 poor 8 73 - 11 - HE2 LYS 40 - HD2 LYS 43 lone 8 87 - 9 - HE3 LYS 20 - HD3 LYS 73 poor 8 68 - 12 - HE2 LYS 20 - HD3 LYS 73 poor 8 68 - 12 - HE2 LYS 20 - HD3 LYS 43 poor 8 68 - 11 - HE3 LYS 20 - HD3 LYS 43 poor 8 68 - 11 - HE2 LYS 40 - HD3 LYS 20 poor 8 73 - 10 - HE2 LYS 20 - HD2 LYS 73 poor 8 66 - 12 - HE3 LYS 20 - HD2 LYS 73 poor 8 66 - 12 - HE3 LYS 40 - HD2 LYS 43 lone 7 81 - 9 - HE2 LYS 40 - HD3 LYS 43 lone 7 82 - 9 - HE2 LYS 40 - HD2 LYS 20 poor 7 70 - 10 - HE3 LYS 40 - HD3 LYS 20 poor 7 67 - 11 - HE2 LYS 73 - HD2 LYS 96 lone 7 96 - 7 - HE2 LYS 73 - HD3 LYS 96 lone 7 93 - 7 - HE3 LYS 40 - HD3 LYS 43 lone 7 75 - 9 - HE3 LYS 40 - HD2 LYS 20 poor 7 64 - 11 - HE3 LYS 73 - HD2 LYS 96 lone 7 95 - 7 - HE3 LYS 73 - HD3 LYS 96 lone 6 93 - 7 - HE2 LYS 43 - HD2 LYS 96 lone 6 96 - 6 - HE2 LYS 43 - HD3 LYS 96 lone 6 94 - 6 - HE3 LYS 43 - HD2 LYS 96 lone 6 94 - 6 - HE3 LYS 43 - HD3 LYS 96 lone 6 91 - 6 - HE2 LYS 20 - HD2 LYS 96 lone 4 66 - 6 - HE3 LYS 20 - HD2 LYS 96 lone 4 66 - 6 - HE2 LYS 20 - HD3 LYS 96 lone 4 64 - 6 - HE3 LYS 20 - HD3 LYS 96 lone 4 64 - 6 - HE2 LYS 40 - HD3 LYS 73 lone 4 82 - 5 - HE2 LYS 40 - HD2 LYS 73 lone 4 79 - 5 - HE3 LYS 40 - HD3 LYS 73 lone 4 75 - 5 - HE3 LYS 40 - HD2 LYS 73 lone 4 73 - 5 - HE2 LYS 40 - HD2 LYS 96 lone 3 80 - 4 - HE2 LYS 40 - HD3 LYS 96 lone 3 77 - 4 - HE3 LYS 39 - HD3 LYS 73 lone 3 97 - 3 - HE2 LYS 39 - HD3 LYS 73 lone 3 97 - 3 - HE3 LYS 39 - HD2 LYS 73 lone 3 96 - 3 - HE2 LYS 39 - HD2 LYS 73 lone 3 96 - 3 - HE3 LYS 40 - HD2 LYS 96 lone 3 73 - 4 - HE3 LYS 39 - HD2 LYS 96 lone 3 96 - 3 - HE2 LYS 39 - HD2 LYS 96 lone 3 96 - 3 - HE3 LYS 40 - HD3 LYS 96 lone 3 71 - 4 - HE3 LYS 39 - HD3 LYS 96 lone 3 94 - 3 - HE2 LYS 39 - HD3 LYS 96 lone 3 94 - 3 - HE3 LYS 39 - HD2 LYS 43 lone 3 100 - 2 - HE2 LYS 39 - HD2 LYS 43 lone 3 100 - 2 - HE3 LYS 39 - HD3 LYS 43 lone 2 97 - 2 - HE2 LYS 39 - HD3 LYS 43 lone 2 97 - 2 - HE3 LYS 39 - HD3 LYS 20 lone 2 90 - 2 - HE2 LYS 39 - HD3 LYS 20 lone 2 90 - 2 - HE3 LYS 39 - HD2 LYS 20 lone 2 87 - 2 - HE2 LYS 39 - HD2 LYS 20 lone 2 87 - 2 - HD3 ARG 118 - HD3 LYS 20 lone 1 81 - 1 - HD3 ARG 118 - HD2 LYS 20 lone 1 77 - 1 - HD3 ARG 118 - HD3 LYS 73 lone 0 89 - 0 - HD3 ARG 118 - HD2 LYS 73 lone 0 87 - 0 - HD3 ARG 118 - HD2 LYS 43 lone 0 94 - 0 - HD3 ARG 118 - HD3 LYS 43 lone 0 89 - 0 - HB2 ASN 24 - HD2 LYS 43 lone 0 84 - 0 - HB3 ASN 24 - HD2 LYS 43 lone 0 84 - 0 - HB3 ASN 24 - HD3 LYS 73 lone 0 78 - 0 - HB2 ASN 24 - HD3 LYS 73 lone 0 78 - 0 - HB3 ASN 24 - HD2 LYS 73 lone 0 76 - 0 - HB2 ASN 24 - HD2 LYS 73 lone 0 76 - 0 - HB3 ASN 24 - HD3 LYS 43 lone 0 78 - 0 - HB2 ASN 24 - HD3 LYS 43 lone 0 78 - 0 - HB2 ASN 24 - HD3 LYS 20 lone 0 70 - 0 - HB3 ASN 24 - HD3 LYS 20 lone 0 70 - 0 - HB2 ASN 24 - HD2 LYS 20 lone 0 67 - 0 - HB3 ASN 24 - HD2 LYS 20 lone 0 67 - 0 - HD3 ARG 118 - HD2 LYS 96 lone 0 87 - 0 - HB3 PHE 51 - HD2 LYS 43 lone 0 84 - 0 - HD3 ARG 118 - HD3 LYS 96 lone 0 85 - 0 - HB3 PHE 51 - HD3 LYS 73 lone 0 78 - 0 - HB3 PHE 51 - HD3 LYS 43 lone 0 78 - 0 - HB3 PHE 51 - HD2 LYS 73 lone 0 76 - 0 - HB3 ASN 24 - HD2 LYS 96 lone 0 77 - 0 - HB2 ASN 24 - HD2 LYS 96 lone 0 77 - 0 - HB3 ASN 24 - HD3 LYS 96 lone 0 74 - 0 - HB2 ASN 24 - HD3 LYS 96 lone 0 74 - 0 - HB3 PHE 51 - HD2 LYS 96 lone 0 77 - 0 - HB3 PHE 51 - HD3 LYS 20 lone 0 70 - 0 - HB3 PHE 51 - HD3 LYS 96 lone 0 74 - 0 - HB3 PHE 51 - HD2 LYS 20 lone 0 67 - 0 - Peak 3869 from cnoeabs.peaks (2.98, 1.68, 28.78 ppm; 2.54 A): 12 out of 112 assignments used, quality = 1.00: HE3 LYS 73 + HD3 LYS 73 OK 76 97 - 78 - 2.9=66, 5197/3.0=4...(17) HE2 LYS 43 + HD2 LYS 43 OK 75 99 - 76 - 3.0=62, 3.9/3846=4...(16) * HE3 LYS 43 + HD2 LYS 43 OK 75 100 - 75 - 3.0=62, 3.9/3846=4...(14) HE3 LYS 73 + HD2 LYS 73 OK 75 95 - 78 - 2.9=66, 5197/3.0=4...(17) HE2 LYS 73 + HD3 LYS 73 OK 74 93 - 79 - 2.9=66, 5197/3.0=4...(17) HE3 LYS 43 + HD3 LYS 43 OK 73 97 - 75 - 3.0=62, 3.9/3846=4...(14) HE2 LYS 43 + HD3 LYS 43 OK 72 95 - 76 - 3.0=62, 3.9/3846=4...(16) HE2 LYS 73 + HD2 LYS 73 OK 72 90 - 79 - 2.9=66, 5197/3.0=4...(17) HE3 LYS 20 + HD3 LYS 20 OK 58 76 - 77 - 3.0=62, 3.9/3079=3...(17) HE2 LYS 20 + HD3 LYS 20 OK 58 76 - 77 - 3.0=62, 3.9/3079=3...(17) HE2 LYS 20 + HD2 LYS 20 OK 56 72 - 77 - 3.0=62, 3.9/3079=3...(17) HE3 LYS 20 + HD2 LYS 20 OK 56 72 - 77 - 3.0=62, 3.9/3079=3...(17) HE2 LYS 43 - HD3 LYS 20 OK 18 87 - 21 - 5198/3.0=1, 3884/3.0=1 HE2 LYS 43 - HD2 LYS 20 OK 17 84 - 21 - 5198/3.0=1, 3884/3.0=1 HE3 LYS 43 - HD3 LYS 20 OK 17 90 - 19 - 3071/3.0=1, 5198/3.0=1 HE2 LYS 73 - HD3 LYS 20 OK 16 85 - 20 - 5198/3.0=1 HE3 LYS 43 - HD2 LYS 20 OK 16 87 - 19 - 3070/3.0=1, 5198/3.0=1 HE3 LYS 73 - HD3 LYS 20 OK 16 90 - 18 - 5198/3.0=1 HE2 LYS 73 - HD2 LYS 20 OK 16 81 - 19 - 5198/3.0=1 HE3 LYS 73 - HD2 LYS 20 OK 15 86 - 18 - 5198/3.0=1 HE2 LYS 43 - HD3 LYS 73 OK 14 95 - 15 - 5197/3.0=2, 5172/3.0=1 HE2 LYS 43 - HD2 LYS 73 OK 14 93 - 15 - 5197/3.0=2, 5172/3.0=1 HE3 LYS 43 - HD3 LYS 73 OK 14 97 - 14 - 5197/3.0=1, 5172/3.0=1 HE3 LYS 43 - HD2 LYS 73 OK 14 96 - 14 - 5197/3.0=1, 5172/3.0=1 HE2 LYS 73 - HD2 LYS 43 OK 12 97 - 13 - 3848/2.9=1 HE3 LYS 73 - HD2 LYS 43 OK 12 100 - 12 - 3848/2.9=1 HE2 LYS 73 - HD3 LYS 43 OK 12 93 - 13 - 3848/2.9=1 HE3 LYS 73 - HD3 LYS 43 OK 11 97 - 12 - 3848/2.9=1 HE2 LYS 20 - HD2 LYS 43 OK 10 90 - 12 - HE3 LYS 20 - HD2 LYS 43 OK 10 90 - 12 - HE3 LYS 20 - HD3 LYS 73 poor 10 84 - 12 - HE2 LYS 20 - HD3 LYS 73 poor 10 84 - 12 - HE2 LYS 20 - HD3 LYS 43 poor 10 84 - 12 - HE3 LYS 20 - HD3 LYS 43 poor 10 84 - 12 - HE2 LYS 20 - HD2 LYS 73 poor 10 82 - 12 - HE3 LYS 20 - HD2 LYS 73 poor 10 82 - 12 - HE2 LYS 40 - HD3 LYS 20 poor 9 85 - 11 - HE3 LYS 40 - HD3 LYS 20 poor 9 81 - 11 - HE2 LYS 40 - HD2 LYS 43 lone 9 97 - 9 - HE2 LYS 40 - HD2 LYS 20 poor 9 81 - 11 - HE3 LYS 40 - HD2 LYS 43 lone 9 94 - 9 - HE3 LYS 40 - HD2 LYS 20 poor 9 77 - 11 - HE2 LYS 40 - HD3 LYS 43 lone 9 93 - 9 - HE3 LYS 40 - HD3 LYS 43 lone 8 89 - 9 - HE2 LYS 73 - HD2 LYS 96 lone 7 91 - 7 - HE3 LYS 73 - HD2 LYS 96 lone 7 96 - 7 - HE2 LYS 73 - HD3 LYS 96 lone 7 88 - 7 - HE3 LYS 73 - HD3 LYS 96 lone 7 93 - 7 - HE2 LYS 43 - HD2 LYS 96 lone 6 94 - 6 - HE3 LYS 43 - HD2 LYS 96 lone 6 96 - 6 - HE2 LYS 43 - HD3 LYS 96 lone 6 91 - 6 - HE3 LYS 43 - HD3 LYS 96 lone 6 94 - 6 - HE2 LYS 20 - HD2 LYS 96 lone 5 82 - 7 - HE3 LYS 20 - HD2 LYS 96 lone 5 82 - 7 - HE2 LYS 20 - HD3 LYS 96 lone 5 80 - 7 - HE3 LYS 20 - HD3 LYS 96 lone 5 80 - 7 - HE3 LYS 40 - HD3 LYS 73 lone 5 89 - 5 - HE2 LYS 40 - HD3 LYS 73 lone 5 93 - 5 - HE3 LYS 40 - HD2 LYS 73 lone 4 87 - 5 - HE2 LYS 40 - HD2 LYS 73 lone 4 90 - 5 - HE2 LYS 40 - HD2 LYS 96 lone 4 91 - 4 - HE2 LYS 40 - HD3 LYS 96 lone 4 88 - 4 - HE3 LYS 40 - HD2 LYS 96 lone 4 87 - 4 - HE3 LYS 40 - HD3 LYS 96 lone 4 85 - 4 - HE2 LYS 39 - HD3 LYS 73 lone 3 96 - 3 - HE3 LYS 39 - HD3 LYS 73 lone 3 94 - 3 - HE2 LYS 39 - HD2 LYS 73 lone 3 94 - 3 - HE3 LYS 39 - HD2 LYS 73 lone 3 92 - 3 - HE2 LYS 39 - HD2 LYS 96 lone 3 94 - 3 - HE3 LYS 39 - HD2 LYS 96 lone 3 92 - 3 - HE2 LYS 39 - HD3 LYS 96 lone 3 92 - 3 - HE3 LYS 39 - HD3 LYS 96 lone 3 90 - 3 - HE2 LYS 39 - HD2 LYS 43 lone 3 99 - 2 - HE3 LYS 39 - HD2 LYS 43 lone 3 98 - 2 - HE2 LYS 39 - HD3 LYS 43 lone 2 96 - 2 - HE3 LYS 39 - HD3 LYS 43 lone 2 94 - 2 - HE2 LYS 39 - HD3 LYS 20 lone 2 89 - 2 - HE3 LYS 39 - HD3 LYS 20 lone 2 86 - 2 - HE2 LYS 39 - HD2 LYS 20 lone 2 85 - 2 - HE3 LYS 39 - HD2 LYS 20 lone 2 83 - 2 - HD3 ARG 118 - HD3 LYS 20 lone 1 89 - 2 - HD3 ARG 118 - HD2 LYS 20 lone 1 85 - 2 - HD3 ARG 118 - HD3 LYS 73 lone 0 96 - 0 - HD3 ARG 118 - HD2 LYS 73 lone 0 94 - 0 - HD3 ARG 118 - HD2 LYS 43 lone 0 99 - 0 - HB3 ASN 24 - HD2 LYS 43 lone 0 96 - 0 - HB2 ASN 24 - HD2 LYS 43 lone 0 96 - 0 - HB3 ASN 24 - HD3 LYS 73 lone 0 91 - 0 - HB2 ASN 24 - HD3 LYS 73 lone 0 91 - 0 - HB3 ASN 24 - HD3 LYS 20 lone 0 83 - 0 - HB2 ASN 24 - HD3 LYS 20 lone 0 83 - 0 - HD3 ARG 118 - HD3 LYS 43 lone 0 96 - 0 - HB2 ASN 24 - HD2 LYS 73 lone 0 89 - 0 - HB3 ASN 24 - HD2 LYS 73 lone 0 89 - 0 - HB2 ASN 24 - HD3 LYS 43 lone 0 91 - 0 - HB3 ASN 24 - HD3 LYS 43 lone 0 91 - 0 - HB2 ASN 24 - HD2 LYS 20 lone 0 79 - 0 - HB3 ASN 24 - HD2 LYS 20 lone 0 79 - 0 - HB3 PHE 51 - HD2 LYS 43 lone 0 96 - 0 - HD3 ARG 118 - HD2 LYS 96 lone 0 94 - 0 - HB3 PHE 51 - HD3 LYS 73 lone 0 91 - 0 - HB3 PHE 51 - HD3 LYS 43 lone 0 91 - 0 - HD3 ARG 118 - HD3 LYS 96 lone 0 92 - 0 - HB3 PHE 51 - HD2 LYS 73 lone 0 89 - 0 - HB3 PHE 51 - HD3 LYS 20 lone 0 83 - 0 - HB2 ASN 24 - HD2 LYS 96 lone 0 89 - 0 - HB3 ASN 24 - HD2 LYS 96 lone 0 89 - 0 - HB3 PHE 51 - HD2 LYS 20 lone 0 79 - 0 - HB2 ASN 24 - HD3 LYS 96 lone 0 87 - 0 - HB3 ASN 24 - HD3 LYS 96 lone 0 87 - 0 - HB3 PHE 51 - HD2 LYS 96 lone 0 89 - 0 - HB3 PHE 51 - HD3 LYS 96 lone 0 87 - 0 - Peak 3870 from cnoeabs.peaks (7.50, 1.68, 28.78 ppm; 5.00 A): 4 out of 9 assignments used, quality = 1.00: * H LYS 43 + HD3 LYS 43 OK 95 100 - 95 - 5.9=62, 1276/2.9=25...(23) H LYS 43 + HD2 LYS 43 OK 93 97 - 95 - 5.9=62, 1276/2.9=25...(21) H LYS 43 + HD3 LYS 20 OK 57 99 - 58 - 1276/3.0=10, ~3063=7...(21) H LYS 43 + HD2 LYS 20 OK 57 99 - 58 - 1276/3.0=10, ~3063=7...(21) H LYS 43 - HD3 LYS 73 OK 23 100 - 23 - 3.0/3816=3, ~11646=2...(12) H LYS 43 - HD2 LYS 73 OK 23 100 - 23 - 3.0/3816=2, ~11646=2...(12) H LYS 43 - HD3 LYS 96 OK 19 97 - 19 - 4.6/1288=2, 3.0/3816=2...(8) H LYS 43 - HD2 LYS 96 OK 17 95 - 18 - 1278=2, 3.0/3816=2...(7) H LYS 43 - HG12 ILE 71 lone 1 78 - 2 - Peak 3871 from cnoeabs.peaks (4.09, 1.68, 28.78 ppm; 3.29 A): 4 out of 45 assignments used, quality = 1.00: HA LYS 20 + HD3 LYS 20 OK 79 99 - 79 - 5.3=24, 3063/3.0=16...(24) HA LYS 20 + HD2 LYS 20 OK 78 99 - 79 - 5.3=24, 3063/3.0=16...(24) * HA LYS 43 + HD3 LYS 43 OK 76 100 - 76 - 4.8=32, 3814/2.9=16...(17) HA LYS 43 + HD2 LYS 43 OK 75 97 - 77 - 4.8=32, 3814/2.9=16...(16) HA LYS 43 - HD3 LYS 20 OK 39 99 - 40 - 3814/3.0=8, 3073/3.0=6...(13) HA LYS 43 - HD2 LYS 20 OK 39 99 - 40 - 3814/3.0=8, 3073/3.0=6...(13) HA LYS 20 - HD3 LYS 43 OK 33 100 - 33 - 3841/2.9=6, 3039=4...(10) HA LYS 20 - HD2 LYS 43 OK 32 97 - 33 - 3841/2.9=6, 3039=4...(10) HA LYS 20 - HD3 LYS 73 OK 31 100 - 32 - 3037/3.0=5, 3039=4...(10) HA LYS 20 - HD2 LYS 73 OK 31 100 - 31 - 3037/3.0=5, 3039=4...(10) HA LYS 43 - HD3 LYS 73 OK 19 100 - 20 - 3816=2, 3816/1.8=2...(4) HA LYS 43 - HD2 LYS 73 OK 19 100 - 19 - 3816=2, 3816/1.8=2...(4) HA LYS 43 - HD3 LYS 96 OK 12 97 - 12 - 3816=2, 3816/1.8=1 HA LYS 43 - HD2 LYS 96 OK 11 95 - 12 - 3816=2, 3816/1.8=1 HA ASP 110 - HD3 LYS 43 poor 10 97 - 10 - 3841/2.9=2, ~10382=1...(5) HA ASP 110 - HD2 LYS 43 poor 10 93 - 10 - 3.0/10382=2, 3841/2.9=2...(5) HA ASP 110 - HD3 LYS 20 lone 9 96 - 9 - 3073/3.0=1, 3063/3.0=1 HA ASP 110 - HD2 LYS 20 lone 9 94 - 9 - 3073/3.0=1, 3063/3.0=1...(4) HA LYS 20 - HD3 LYS 96 lone 7 96 - 8 - 3039=1 HA LYS 20 - HD2 LYS 96 lone 7 95 - 8 - HA GLU 91 - HD3 LYS 96 lone 2 71 - 3 - HA GLU 91 - HD2 LYS 96 lone 2 69 - 3 - HA GLN 62 - HD3 LYS 20 lone 1 68 - 2 - HA GLN 62 - HD2 LYS 20 lone 1 66 - 2 - HA ASP 110 - HD3 LYS 73 lone 1 97 - 1 - HA ASP 110 - HD2 LYS 73 lone 1 97 - 1 - HA ASP 110 - HD3 LYS 96 lone 1 91 - 1 - HA ASP 110 - HD2 LYS 96 lone 1 90 - 1 - HA GLU 91 - HD3 LYS 20 lone 1 75 - 1 - HA GLU 91 - HD2 LYS 20 lone 1 74 - 1 - HA GLU 91 - HD3 LYS 43 lone 1 77 - 1 - HA GLU 91 - HD2 LYS 43 lone 1 72 - 1 - HA LYS 20 - HG12 ILE 71 lone 1 78 - 1 - HA LYS 43 - HG12 ILE 71 lone 0 78 - 1 - HA GLN 62 - HD3 LYS 43 lone 0 70 - 1 - HA GLN 62 - HD2 LYS 43 lone 0 64 - 1 - HA GLU 91 - HD3 LYS 73 lone 0 77 - 1 - HA GLU 91 - HD2 LYS 73 lone 0 77 - 1 - HA GLN 62 - HD3 LYS 96 lone 0 63 - 1 - HA GLN 62 - HD2 LYS 96 lone 0 62 - 1 - HA ASP 110 - HG12 ILE 71 lone 0 73 - 0 - HA GLN 62 - HD3 LYS 73 lone 0 70 - 0 - HA GLN 62 - HD2 LYS 73 lone 0 69 - 0 - HA GLN 62 - HG12 ILE 71 lone 0 47 - 1 - HA GLU 91 - HG12 ILE 71 lone 0 53 - 0 - Peak 3872 from cnoeabs.peaks (1.91, 1.68, 28.78 ppm; 2.72 A): 15 out of 180 assignments used, quality = 1.00: HB2 LYS 96 + HD3 LYS 96 OK 78 93 - 84 - 3.4=49, 1.8/6097=8...(38) HB2 LYS 96 + HD2 LYS 96 OK 76 91 - 84 - 3.4=49, 1.8/6097=8...(39) * HB2 LYS 43 + HD3 LYS 43 OK 72 100 - 72 - 3.8=35, 3.0/3846=6...(28) HB2 LYS 43 + HD2 LYS 43 OK 71 97 - 73 - 3.8=35, 3.0/3846=6...(31) HB3 LYS 43 + HD3 LYS 43 OK 70 98 - 71 - 3.8=35, 3.0/3846=6...(28) HB3 LYS 43 + HD2 LYS 43 OK 68 94 - 72 - 3.8=35, 3.0/3846=6...(31) HB2 LYS 73 + HD3 LYS 73 OK 65 87 - 75 - 3.8=35, 2.9/5170=7...(35) HB2 LYS 73 + HD2 LYS 73 OK 65 87 - 75 - 3.8=35, 2.9/5170=7...(35) HB3 LYS 73 + HD3 LYS 73 OK 63 84 - 75 - 3.8=35, 2.9/5170=7...(35) HB3 LYS 73 + HD2 LYS 73 OK 62 84 - 75 - 3.8=35, 2.9/5170=7...(35) HB3 LYS 20 + HD3 LYS 20 OK 55 68 - 82 - 3.4=49, 2.9/3079=6...(37) HB2 LYS 20 + HD3 LYS 20 OK 55 68 - 82 - 3.4=49, 2.9/3079=6...(37) HB3 LYS 20 + HD2 LYS 20 OK 54 66 - 82 - 3.4=49, 2.9/3079=6...(38) HB2 LYS 20 + HD2 LYS 20 OK 54 66 - 82 - 3.4=49, 2.9/3079=6...(38) HB ILE 71 + HG12 ILE 71 OK 51 64 - 79 - 3.0=73, ~5089=9, ~5107=7...(6) HB3 LYS 44 - HD2 LYS 96 OK 37 95 - 40 - 2.9/6107=2, 3915/3.0=1...(7) HB2 LYS 44 - HD2 LYS 96 OK 37 94 - 40 - 2.9/6107=2, 3915/3.0=2...(7) HB3 LYS 44 - HD3 LYS 96 OK 37 96 - 39 - 2.9/6107=2, 3915/3.0=1...(7) HB2 LYS 44 - HD3 LYS 96 OK 37 95 - 39 - 2.9/6107=2, 3915/3.0=2...(7) HB2 LYS 43 - HD3 LYS 20 OK 27 99 - 27 - 3.0/3816=2, 3.0/3847=2...(7) HB2 LYS 43 - HD2 LYS 20 OK 27 99 - 27 - 3.0/3816=2, 3.0/3847=1...(7) HB3 LYS 43 - HD3 LYS 20 OK 25 97 - 26 - 3.0/3816=2, 3.0/3847=2...(7) HB3 LYS 43 - HD2 LYS 20 OK 25 96 - 26 - 3.0/3816=2, 3.0/3847=1...(7) HB2 LYS 20 - HD3 LYS 43 OK 21 70 - 30 - 2.9/3069=2, 2.9/3079=2...(5) HB3 LYS 20 - HD3 LYS 43 OK 21 70 - 30 - 2.9/3069=2, 2.9/3079=2...(5) HB3 LYS 20 - HD3 LYS 73 OK 21 70 - 30 - 2.9/3079=2, 2.9/3069=2 HB2 LYS 20 - HD3 LYS 73 OK 21 70 - 30 - 2.9/3079=2, 2.9/3069=2 HB2 LYS 20 - HD2 LYS 73 OK 21 69 - 30 - 2.9/3079=2, 2.9/3069=2 HB3 LYS 20 - HD2 LYS 73 OK 21 69 - 30 - 2.9/3079=2, 2.9/3069=2 HB3 LYS 20 - HD2 LYS 43 OK 20 64 - 31 - 2.9/3069=2, 2.9/3079=2...(5) HB2 LYS 20 - HD2 LYS 43 OK 20 64 - 31 - 2.9/3069=2, 2.9/3079=2...(5) HB2 LYS 43 - HD3 LYS 73 OK 19 100 - 19 - 3.0/3846=1 HB2 LYS 43 - HD2 LYS 73 OK 19 100 - 19 - 3.0/3846=1 HB2 LYS 73 - HD3 LYS 20 OK 19 85 - 23 - 2.9/5170=2, 2.9/5177=1 HB2 LYS 73 - HD3 LYS 43 OK 19 87 - 22 - 2.9/5170=2, 2.9/5187=1 HB2 LYS 73 - HD2 LYS 20 OK 19 83 - 23 - 2.9/5170=2, 2.9/5177=1 HB2 LYS 73 - HD2 LYS 43 OK 18 82 - 23 - 2.9/5170=2, 2.9/5187=1 HB3 LYS 73 - HD3 LYS 20 OK 18 82 - 22 - 2.9/5170=2, 2.9/5177=1 HB3 LYS 73 - HD3 LYS 43 OK 18 84 - 22 - 2.9/5170=2, 2.9/5187=1 HB3 LYS 43 - HD3 LYS 73 OK 18 98 - 18 - 3.0/3846=1 HB3 LYS 43 - HD2 LYS 73 OK 18 98 - 18 - 3.0/3846=1 HB3 LYS 73 - HD2 LYS 20 OK 18 80 - 22 - 2.9/5170=2, 2.9/5177=1 HB3 LYS 73 - HD2 LYS 43 OK 17 78 - 22 - 2.9/5170=2, 2.9/5187=1 HB2 LYS 96 - HD3 LYS 73 OK 15 98 - 16 - 1.8/6097=2 HB2 LYS 96 - HD2 LYS 73 OK 15 98 - 16 - 1.8/6097=2 HB2 LYS 96 - HD3 LYS 20 OK 15 97 - 15 - 1.8/6097=2 HB2 LYS 96 - HD2 LYS 20 OK 15 96 - 15 - 1.8/6097=2 HB2 LYS 96 - HD3 LYS 43 OK 13 98 - 13 - 1.8/6097=1 HB2 LYS 96 - HD2 LYS 43 OK 13 94 - 14 - 1.8/6097=1 HB2 ARG 95 - HD3 LYS 96 OK 12 86 - 14 - 7789/5.7=2, 3.0/6020=2...(5) HB2 ARG 95 - HD2 LYS 96 OK 12 84 - 14 - 7789/5.7=2, 3.0/6020=2...(4) HB2 LYS 43 - HD3 LYS 96 OK 10 97 - 11 - HB2 LYS 43 - HD2 LYS 96 OK 10 95 - 11 - HB3 LYS 43 - HD3 LYS 96 poor 10 93 - 11 - HB3 LYS 43 - HD2 LYS 96 poor 10 91 - 10 - HB2 LYS 44 - HD2 LYS 43 lone 9 96 - 10 - HB3 LYS 44 - HD2 LYS 43 lone 9 97 - 9 - HB3 LYS 17 - HD3 LYS 20 poor 9 75 - 12 - ~11542=2, ~11543=2...(5) HB2 LYS 44 - HD3 LYS 43 lone 9 99 - 9 - HB3 LYS 17 - HD2 LYS 20 poor 9 74 - 12 - ~11542=2, ~11543=2...(5) HB3 LYS 44 - HD3 LYS 43 lone 9 100 - 9 - HB2 LYS 44 - HD2 LYS 73 lone 8 99 - 8 - HB2 LYS 73 - HD3 LYS 96 poor 8 80 - 10 - HB2 LYS 44 - HD3 LYS 73 lone 8 99 - 8 - HB2 LYS 73 - HD2 LYS 96 poor 8 79 - 10 - HB3 LYS 44 - HD2 LYS 73 lone 8 100 - 8 - HB3 LYS 73 - HD3 LYS 96 lone 8 77 - 10 - HB3 LYS 44 - HD3 LYS 73 lone 8 100 - 8 - HB3 LYS 73 - HD2 LYS 96 lone 8 76 - 10 - HB3 LYS 20 - HD3 LYS 96 poor 7 63 - 11 - HB2 LYS 20 - HD3 LYS 96 poor 7 63 - 11 - HB3 LYS 20 - HD2 LYS 96 poor 7 62 - 11 - HB2 LYS 20 - HD2 LYS 96 poor 7 62 - 11 - HB2 LEU 45 - HD2 LYS 73 lone 5 100 - 5 - HB2 LEU 45 - HD3 LYS 73 lone 5 100 - 5 - HB ILE 71 - HD2 LYS 73 lone 5 89 - 6 - ~9773=1 HB ILE 71 - HD3 LYS 73 lone 5 90 - 6 - ~9773=1 HB3 LYS 123 - HG12 ILE 71 lone 5 73 - 6 - ~10612=2 HB2 LEU 45 - HD3 LYS 20 lone 4 99 - 4 - HB2 LEU 45 - HD2 LYS 20 lone 4 98 - 4 - HB3 LYS 123 - HD3 LYS 96 lone 4 91 - 4 - HB2 ARG 95 - HD3 LYS 20 lone 4 90 - 4 - HB3 LYS 123 - HD2 LYS 96 lone 4 90 - 4 - HB2 ARG 95 - HD2 LYS 20 lone 4 89 - 4 - HB2 LEU 45 - HD3 LYS 96 lone 4 96 - 4 - HB2 LYS 44 - HD3 LYS 20 lone 4 98 - 4 - HB3 LYS 44 - HD3 LYS 20 lone 4 99 - 3 - HB2 LYS 44 - HD2 LYS 20 lone 4 97 - 4 - HB3 LYS 44 - HD2 LYS 20 lone 4 99 - 3 - HB2 LEU 45 - HD2 LYS 96 lone 3 94 - 4 - HB2 ARG 95 - HD2 LYS 73 lone 3 92 - 3 - HB2 ARG 95 - HD3 LYS 73 lone 3 92 - 3 - HB2 LYS 73 - HG12 ILE 71 lone 3 62 - 5 - 1467/4.6=1 HB2 LEU 45 - HD3 LYS 43 lone 3 100 - 3 - HB2 ARG 95 - HD3 LYS 43 lone 3 92 - 3 - HB3 LYS 73 - HG12 ILE 71 lone 3 59 - 5 - 1467/4.6=1 HB2 ARG 95 - HD2 LYS 43 lone 3 87 - 3 - HB2 LEU 45 - HD2 LYS 43 lone 2 97 - 2 - HB ILE 71 - HD3 LYS 96 lone 2 83 - 2 - HB2 LYS 96 - HG12 ILE 71 lone 2 74 - 3 - HB ILE 71 - HD2 LYS 96 lone 2 81 - 2 - HB3 LYS 17 - HG12 ILE 71 lone 2 53 - 3 - HB ILE 15 - HD3 LYS 73 lone 1 96 - 1 - HB ILE 15 - HD2 LYS 73 lone 1 95 - 1 - HB2 LEU 45 - HG12 ILE 71 lone 1 77 - 2 - HB ILE 71 - HD3 LYS 20 lone 1 88 - 1 - HB3 LYS 123 - HD3 LYS 43 lone 1 97 - 1 - HB ILE 71 - HD2 LYS 20 lone 1 86 - 1 - HB3 LYS 123 - HD3 LYS 20 lone 1 96 - 1 - HB3 LYS 123 - HD2 LYS 20 lone 1 94 - 1 - HB2 GLU 128 - HD3 LYS 96 lone 1 93 - 1 - HB2 GLU 128 - HD2 LYS 96 lone 1 91 - 1 - HB3 LYS 17 - HD3 LYS 96 lone 1 71 - 1 - HB3 LYS 123 - HD2 LYS 73 lone 1 97 - 1 - HB3 LYS 17 - HD2 LYS 96 lone 1 69 - 1 - HB3 LYS 123 - HD3 LYS 73 lone 1 97 - 1 - HB3 LYS 44 - HG12 ILE 71 lone 1 78 - 1 - HB3 LYS 123 - HD2 LYS 43 lone 1 93 - 1 - HB2 LYS 44 - HG12 ILE 71 lone 1 77 - 1 - HB3 LYS 17 - HD3 LYS 43 lone 1 77 - 1 - HB3 LYS 17 - HD2 LYS 43 lone 1 72 - 1 - HB3 LYS 17 - HD3 LYS 73 lone 1 77 - 1 - HB3 LYS 17 - HD2 LYS 73 lone 1 77 - 1 - HB2 LYS 49 - HG12 ILE 71 lone 1 71 - 1 - HB ILE 71 - HD3 LYS 43 lone 1 90 - 1 - HB ILE 7 - HD3 LYS 20 lone 0 75 - 1 - HB ILE 71 - HD2 LYS 43 lone 0 84 - 1 - HB ILE 7 - HD2 LYS 20 lone 0 74 - 1 - HB ILE 15 - HD3 LYS 20 lone 0 94 - 0 - HB ILE 7 - HD3 LYS 43 lone 0 77 - 1 - HB ILE 15 - HD2 LYS 20 lone 0 93 - 0 - HB ILE 7 - HD2 LYS 43 lone 0 72 - 1 - HB2 ARG 95 - HG12 ILE 71 lone 0 67 - 1 - HB2 LYS 49 - HD3 LYS 96 lone 0 90 - 0 - HB2 LYS 49 - HD2 LYS 96 lone 0 88 - 0 - HB2 LYS 49 - HD3 LYS 20 lone 0 94 - 0 - HB2 LYS 43 - HG12 ILE 71 lone 0 78 - 0 - HB2 LYS 49 - HD2 LYS 20 lone 0 93 - 0 - HB ILE 15 - HG12 ILE 71 lone 0 71 - 1 - HB3 LYS 43 - HG12 ILE 71 lone 0 74 - 0 - HB ILE 15 - HD3 LYS 43 lone 0 96 - 0 - HB ILE 7 - HD3 LYS 73 lone 0 77 - 0 - HB ILE 7 - HD2 LYS 73 lone 0 77 - 0 - HB2 GLU 128 - HD2 LYS 73 lone 0 98 - 0 - HB2 GLU 128 - HD3 LYS 73 lone 0 98 - 0 - HB ILE 7 - HD3 LYS 96 lone 0 71 - 0 - HB3 LYS 20 - HG12 ILE 71 lone 0 47 - 1 - HB2 LYS 20 - HG12 ILE 71 lone 0 47 - 1 - HB ILE 7 - HD2 LYS 96 lone 0 69 - 0 - HB2 GLU 128 - HD3 LYS 20 lone 0 97 - 0 - HB ILE 15 - HD2 LYS 43 lone 0 91 - 0 - HG2 MET 121 - HD3 LYS 20 lone 0 90 - 0 - HB2 GLU 128 - HD2 LYS 20 lone 0 96 - 0 - HB2 GLU 128 - HD3 LYS 43 lone 0 98 - 0 - HG2 MET 121 - HD2 LYS 20 lone 0 89 - 0 - HB ILE 15 - HD3 LYS 96 lone 0 90 - 0 - HB2 LYS 49 - HD3 LYS 73 lone 0 96 - 0 - HB2 LYS 49 - HD2 LYS 73 lone 0 95 - 0 - HB ILE 15 - HD2 LYS 96 lone 0 88 - 0 - HB2 GLU 128 - HD2 LYS 43 lone 0 94 - 0 - HB2 LYS 49 - HD3 LYS 43 lone 0 96 - 0 - HB2 GLU 128 - HG12 ILE 71 lone 0 74 - 0 - HB2 LYS 49 - HD2 LYS 43 lone 0 91 - 0 - HB2 LEU 81 - HD3 LYS 73 lone 0 87 - 0 - HB2 LEU 81 - HD2 LYS 73 lone 0 87 - 0 - HB2 LEU 81 - HD3 LYS 96 lone 0 80 - 0 - HB2 LEU 81 - HD2 LYS 96 lone 0 79 - 0 - HG2 MET 121 - HD3 LYS 73 lone 0 92 - 0 - HG2 MET 121 - HD2 LYS 73 lone 0 92 - 0 - HB ILE 7 - HG12 ILE 71 lone 0 53 - 0 - HB2 LEU 81 - HG12 ILE 71 lone 0 62 - 0 - HB2 LEU 81 - HD3 LYS 20 lone 0 85 - 0 - HB2 LEU 81 - HD2 LYS 20 lone 0 83 - 0 - HG2 MET 121 - HD3 LYS 43 lone 0 92 - 0 - HG2 MET 121 - HD3 LYS 96 lone 0 86 - 0 - HB2 LEU 81 - HD3 LYS 43 lone 0 87 - 0 - HG2 MET 121 - HD2 LYS 96 lone 0 84 - 0 - HG2 MET 121 - HD2 LYS 43 lone 0 87 - 0 - HB2 LEU 81 - HD2 LYS 43 lone 0 82 - 0 - HG2 MET 121 - HG12 ILE 71 lone 0 67 - 0 - Peak 3873 from cnoeabs.peaks (1.90, 1.68, 28.78 ppm; 2.72 A): 15 out of 180 assignments used, quality = 1.00: HB2 LYS 96 + HD3 LYS 96 OK 81 97 - 84 - 3.4=49, 1.8/6097=8...(38) HB2 LYS 96 + HD2 LYS 96 OK 80 95 - 84 - 3.4=49, 1.8/6097=8...(39) HB2 LYS 73 + HD3 LYS 73 OK 74 98 - 75 - 3.8=35, 2.9/5170=7...(35) HB2 LYS 73 + HD2 LYS 73 OK 74 98 - 75 - 3.8=35, 2.9/5170=7...(35) HB3 LYS 73 + HD3 LYS 73 OK 73 97 - 75 - 3.8=35, 2.9/5170=7...(35) HB3 LYS 73 + HD2 LYS 73 OK 72 97 - 75 - 3.8=35, 2.9/5170=7...(35) HB2 LYS 20 + HD3 LYS 20 OK 72 88 - 82 - 3.4=49, 2.9/3079=6...(38) HB3 LYS 20 + HD3 LYS 20 OK 72 88 - 82 - 3.4=49, 2.9/3079=6...(38) * HB3 LYS 43 + HD3 LYS 43 OK 71 100 - 71 - 3.8=35, 3.0/3846=6...(28) HB2 LYS 43 + HD3 LYS 43 OK 71 98 - 72 - 3.8=35, 3.0/3846=6...(28) HB3 LYS 20 + HD2 LYS 20 OK 70 86 - 82 - 3.4=49, 2.9/3079=6...(39) HB2 LYS 20 + HD2 LYS 20 OK 70 86 - 82 - 3.4=49, 2.9/3079=6...(39) HB3 LYS 43 + HD2 LYS 43 OK 70 97 - 72 - 3.8=35, 3.0/3846=6...(31) HB2 LYS 43 + HD2 LYS 43 OK 68 94 - 73 - 3.8=35, 3.0/3846=6...(31) HB ILE 71 + HG12 ILE 71 OK 60 75 - 80 - 3.0=73, ~5089=9, ~5107=7...(6) HB3 LYS 44 - HD2 LYS 96 OK 36 93 - 40 - 2.9/6107=2, 2.9/6136=1...(7) HB3 LYS 44 - HD3 LYS 96 OK 36 94 - 39 - 2.9/6107=2, 2.9/6136=1...(7) HB2 LYS 44 - HD2 LYS 96 OK 33 84 - 40 - 2.9/6107=2, 2.9/6136=1...(7) HB2 LYS 44 - HD3 LYS 96 OK 33 86 - 39 - 2.9/6107=2, 2.9/6136=1...(7) HB3 LYS 20 - HD3 LYS 73 OK 27 90 - 31 - 2.9/3079=2, 2.9/3069=2 HB2 LYS 20 - HD3 LYS 73 OK 27 90 - 31 - 2.9/3079=2, 2.9/3069=2 HB3 LYS 20 - HD3 LYS 43 OK 27 90 - 31 - 2.9/3069=2, 2.9/3079=2...(5) HB2 LYS 20 - HD3 LYS 43 OK 27 90 - 31 - 2.9/3069=2, 2.9/3079=2...(5) HB3 LYS 20 - HD2 LYS 73 OK 27 89 - 31 - 2.9/3079=2, 2.9/3069=2 HB2 LYS 20 - HD2 LYS 73 OK 27 89 - 31 - 2.9/3079=2, 2.9/3069=2 HB2 LYS 43 - HD3 LYS 20 OK 26 97 - 28 - 3.0/3816=2, 3.0/3847=2...(7) HB2 LYS 43 - HD2 LYS 20 OK 26 96 - 28 - 3.0/3816=2, 3.0/3847=1...(7) HB3 LYS 43 - HD3 LYS 20 OK 26 99 - 26 - 3.0/3816=2, 3.0/3847=2...(7) HB3 LYS 43 - HD2 LYS 20 OK 26 99 - 26 - 3.0/3816=2, 3.0/3847=1...(7) HB3 LYS 20 - HD2 LYS 43 OK 26 84 - 31 - 2.9/3069=2, 2.9/3079=2...(5) HB2 LYS 20 - HD2 LYS 43 OK 26 84 - 31 - 2.9/3069=2, 2.9/3079=2...(5) HB2 LYS 73 - HD3 LYS 20 OK 22 97 - 23 - 2.9/5170=2, 2.9/5177=1 HB2 LYS 73 - HD2 LYS 20 OK 22 96 - 23 - 2.9/5170=2, 2.9/5177=1 HB2 LYS 73 - HD3 LYS 43 OK 22 98 - 22 - 2.9/5170=2, 2.9/5187=1 HB3 LYS 73 - HD3 LYS 20 OK 22 96 - 23 - 2.9/5170=2, 2.9/5177=1 HB3 LYS 73 - HD2 LYS 20 OK 21 94 - 23 - 2.9/5170=2, 2.9/5177=1 HB2 LYS 73 - HD2 LYS 43 OK 21 94 - 23 - 2.9/5170=2, 2.9/5187=1 HB3 LYS 73 - HD3 LYS 43 OK 21 97 - 22 - 2.9/5170=2, 2.9/5187=1 HB3 LYS 73 - HD2 LYS 43 OK 21 93 - 22 - 2.9/5170=2, 2.9/5187=1 HB2 LYS 43 - HD3 LYS 73 OK 19 98 - 19 - 3.0/3846=1 HB2 LYS 43 - HD2 LYS 73 OK 19 98 - 19 - 3.0/3846=1 HB3 LYS 43 - HD3 LYS 73 OK 18 100 - 18 - 3.0/3846=1 HB3 LYS 43 - HD2 LYS 73 OK 18 100 - 18 - 3.0/3846=1 HB2 LYS 96 - HD3 LYS 73 OK 16 100 - 16 - 1.8/6097=2 HB2 LYS 96 - HD2 LYS 73 OK 16 100 - 16 - 1.8/6097=2 HB2 LYS 96 - HD3 LYS 20 OK 15 99 - 15 - 1.8/6097=2 HB2 LYS 96 - HD2 LYS 20 OK 15 99 - 15 - 1.8/6097=2 HB2 ARG 95 - HD3 LYS 96 OK 14 95 - 15 - 7789/5.7=3, 3.0/6020=2...(5) HB2 ARG 95 - HD2 LYS 96 OK 13 94 - 14 - 7789/5.7=3, 3.0/6020=2...(4) HB2 LYS 96 - HD3 LYS 43 OK 13 100 - 13 - 1.8/6097=1 HB2 LYS 96 - HD2 LYS 43 OK 13 97 - 14 - 1.8/6097=1 HB3 LYS 43 - HD3 LYS 96 OK 10 97 - 11 - HB2 LYS 43 - HD3 LYS 96 OK 10 93 - 11 - HB3 LYS 43 - HD2 LYS 96 poor 10 95 - 10 - HB2 LYS 43 - HD2 LYS 96 poor 10 91 - 11 - HB2 LYS 73 - HD3 LYS 96 poor 9 93 - 10 - HB2 LYS 73 - HD2 LYS 96 poor 9 91 - 10 - HB3 LYS 73 - HD3 LYS 96 lone 9 91 - 10 - HB3 LYS 73 - HD2 LYS 96 poor 9 90 - 10 - HB3 LYS 44 - HD2 LYS 43 lone 9 95 - 9 - HB2 LYS 20 - HD3 LYS 96 poor 9 83 - 11 - HB3 LYS 20 - HD3 LYS 96 poor 9 83 - 11 - HB3 LYS 20 - HD2 LYS 96 poor 9 81 - 11 - HB2 LYS 20 - HD2 LYS 96 poor 9 81 - 11 - HB3 LYS 44 - HD3 LYS 43 lone 9 99 - 9 - HB2 LYS 44 - HD2 LYS 43 lone 8 87 - 10 - HB2 LYS 44 - HD3 LYS 43 lone 8 92 - 9 - HB3 LYS 44 - HD2 LYS 73 lone 8 99 - 8 - HB3 LYS 44 - HD3 LYS 73 lone 8 99 - 8 - HB2 LYS 44 - HD2 LYS 73 lone 8 92 - 8 - HB2 LYS 44 - HD3 LYS 73 lone 7 92 - 8 - HB ILE 71 - HD2 LYS 73 lone 6 99 - 6 - ~9773=1 HB ILE 71 - HD3 LYS 73 lone 6 99 - 6 - ~9773=1 HB2 LEU 45 - HD2 LYS 73 lone 5 100 - 5 - HB2 LEU 45 - HD3 LYS 73 lone 5 100 - 5 - HB2 ARG 95 - HD3 LYS 20 lone 4 98 - 5 - HB2 LEU 45 - HD3 LYS 20 lone 4 99 - 4 - HB2 ARG 95 - HD2 LYS 20 lone 4 97 - 4 - HB2 LEU 45 - HD2 LYS 20 lone 4 98 - 4 - HB2 LEU 45 - HD3 LYS 96 lone 4 96 - 4 - HB3 LYS 123 - HG12 ILE 71 lone 4 59 - 6 - ~10612=2 HB2 LYS 73 - HG12 ILE 71 lone 4 74 - 5 - 1467/4.6=1 HB3 LYS 44 - HD3 LYS 20 lone 3 98 - 3 - HB3 LYS 73 - HG12 ILE 71 lone 4 73 - 5 - 1467/4.6=1 HB3 LYS 44 - HD2 LYS 20 lone 3 97 - 3 - HB2 ARG 95 - HD3 LYS 73 lone 3 99 - 3 - HB2 ARG 95 - HD2 LYS 73 lone 3 99 - 3 - HB3 LYS 123 - HD3 LYS 96 lone 3 77 - 4 - HB2 LEU 45 - HD2 LYS 96 lone 3 94 - 4 - HB2 LYS 44 - HD3 LYS 20 lone 3 90 - 4 - HB2 LYS 44 - HD2 LYS 20 lone 3 89 - 4 - HB3 LYS 123 - HD2 LYS 96 lone 3 76 - 4 - HB2 ARG 95 - HD3 LYS 43 lone 3 99 - 3 - HB2 ARG 95 - HD2 LYS 43 lone 3 96 - 3 - HB2 LEU 45 - HD3 LYS 43 lone 3 100 - 3 - HB2 LEU 45 - HD2 LYS 43 lone 2 97 - 2 - HB ILE 71 - HD3 LYS 96 lone 2 94 - 2 - HB ILE 71 - HD2 LYS 96 lone 2 93 - 2 - HG LEU 45 - HD3 LYS 20 lone 2 60 - 4 - HG LEU 45 - HD3 LYS 73 lone 2 61 - 4 - HG LEU 45 - HD2 LYS 73 lone 2 61 - 4 - HG LEU 45 - HD2 LYS 20 lone 2 58 - 4 - HB2 LYS 96 - HG12 ILE 71 lone 2 78 - 3 - HG LEU 45 - HD3 LYS 96 lone 2 56 - 3 - HG LEU 45 - HD2 LYS 96 lone 1 54 - 3 - HB ILE 71 - HD3 LYS 20 lone 1 98 - 1 - HB ILE 71 - HD2 LYS 20 lone 1 97 - 1 - HB2 LEU 45 - HG12 ILE 71 lone 1 77 - 2 - HG LEU 45 - HD3 LYS 43 lone 1 61 - 2 - HB2 GLU 128 - HD3 LYS 96 lone 1 97 - 1 - HG LEU 45 - HD2 LYS 43 lone 1 57 - 2 - HB2 GLU 128 - HD2 LYS 96 lone 1 95 - 1 - HB ILE 15 - HD3 LYS 73 lone 1 81 - 1 - HB3 LYS 123 - HD3 LYS 43 lone 1 84 - 1 - HB ILE 15 - HD2 LYS 73 lone 1 80 - 1 - HB3 LYS 44 - HG12 ILE 71 lone 1 75 - 1 - HB3 LYS 123 - HD3 LYS 20 lone 1 82 - 1 - HB3 LYS 123 - HD2 LYS 20 lone 1 80 - 1 - HB3 LYS 123 - HD2 LYS 73 lone 1 84 - 1 - HB3 LYS 123 - HD3 LYS 73 lone 1 84 - 1 - HB3 LYS 123 - HD2 LYS 43 lone 1 78 - 1 - HB2 LYS 44 - HG12 ILE 71 lone 1 67 - 1 - HB2 LYS 49 - HG12 ILE 71 lone 1 78 - 1 - HB ILE 71 - HD3 LYS 43 lone 1 99 - 1 - HB ILE 7 - HD3 LYS 20 lone 1 92 - 1 - HB ILE 7 - HD2 LYS 20 lone 1 91 - 1 - HB ILE 7 - HD3 LYS 43 lone 1 94 - 1 - HB ILE 7 - HD2 LYS 43 lone 1 89 - 1 - HB ILE 71 - HD2 LYS 43 lone 1 95 - 1 - HG LEU 45 - HG12 ILE 71 lone 1 41 - 1 - HB2 ARG 95 - HG12 ILE 71 lone 0 77 - 1 - HB3 LYS 20 - HG12 ILE 71 lone 0 64 - 1 - HB2 LYS 20 - HG12 ILE 71 lone 0 64 - 1 - HB ILE 7 - HD3 LYS 73 lone 0 94 - 0 - HB ILE 7 - HD2 LYS 73 lone 0 94 - 0 - HB2 LYS 49 - HD3 LYS 96 lone 0 96 - 0 - HB ILE 7 - HD3 LYS 96 lone 0 88 - 0 - HB ILE 7 - HD2 LYS 96 lone 0 86 - 0 - HB2 LYS 49 - HD3 LYS 20 lone 0 99 - 0 - HB2 LYS 49 - HD2 LYS 96 lone 0 95 - 0 - HB2 LYS 49 - HD2 LYS 20 lone 0 98 - 0 - HB3 LYS 43 - HG12 ILE 71 lone 0 78 - 1 - HB2 LYS 43 - HG12 ILE 71 lone 0 74 - 0 - HB2 GLU 128 - HD2 LYS 73 lone 0 100 - 0 - HB2 GLU 128 - HD3 LYS 73 lone 0 100 - 0 - HB ILE 15 - HD3 LYS 20 lone 0 79 - 0 - HB2 GLU 128 - HD3 LYS 20 lone 0 99 - 0 - HB2 GLU 128 - HD2 LYS 20 lone 0 99 - 0 - HB ILE 15 - HD2 LYS 20 lone 0 77 - 0 - HB2 GLU 128 - HD3 LYS 43 lone 0 100 - 0 - HB ILE 7 - HG12 ILE 71 lone 0 69 - 0 - HB2 LYS 49 - HD2 LYS 73 lone 0 100 - 0 - HB2 LYS 49 - HD3 LYS 73 lone 0 100 - 0 - HB2 GLU 128 - HG12 ILE 71 lone 0 78 - 0 - HB2 GLU 128 - HD2 LYS 43 lone 0 97 - 0 - HB2 LYS 49 - HD3 LYS 43 lone 0 100 - 0 - HB2 LYS 49 - HD2 LYS 43 lone 0 97 - 0 - HB ILE 15 - HD3 LYS 43 lone 0 81 - 0 - HB ILE 15 - HG12 ILE 71 lone 0 56 - 1 - HB ILE 15 - HD2 LYS 43 lone 0 75 - 0 - HB ILE 15 - HD3 LYS 96 lone 0 74 - 0 - HG2 MET 121 - HD3 LYS 20 lone 0 71 - 0 - HG2 MET 121 - HD2 LYS 20 lone 0 70 - 0 - HB ILE 15 - HD2 LYS 96 lone 0 72 - 0 - HB2 LEU 81 - HD3 LYS 73 lone 0 65 - 0 - HB2 LEU 81 - HD2 LYS 73 lone 0 65 - 0 - HG2 MET 121 - HD3 LYS 73 lone 0 73 - 0 - HG2 MET 121 - HD2 LYS 73 lone 0 73 - 0 - HB2 LEU 81 - HD3 LYS 96 lone 0 59 - 0 - HG2 MET 121 - HD3 LYS 43 lone 0 73 - 0 - HB2 LEU 81 - HD2 LYS 96 lone 0 58 - 0 - HB2 LEU 81 - HD3 LYS 20 lone 0 64 - 0 - HG2 MET 121 - HD3 LYS 96 lone 0 67 - 0 - HB2 LEU 81 - HD2 LYS 20 lone 0 62 - 0 - HB2 LEU 81 - HD3 LYS 43 lone 0 65 - 0 - HG2 MET 121 - HD2 LYS 96 lone 0 65 - 0 - HG2 MET 121 - HD2 LYS 43 lone 0 68 - 0 - HB2 LEU 81 - HD2 LYS 43 lone 0 61 - 0 - HG2 MET 121 - HG12 ILE 71 lone 0 50 - 0 - HB2 LEU 81 - HG12 ILE 71 lone 0 44 - 0 - Peak 3874 from cnoeabs.peaks (1.51, 1.68, 28.78 ppm; 2.40 A): 4 out of 99 assignments used, quality = 0.99: * HG2 LYS 43 + HD3 LYS 43 OK 75 100 - 75 - 2.9=56, 3846/1.8=8...(16) HG2 LYS 43 + HD2 LYS 43 OK 74 97 - 76 - 2.9=56, 3846/1.8=8...(16) HG2 LYS 20 + HD3 LYS 20 OK 71 96 - 74 - 3.0=54, 1.8/3079=7...(13) HG2 LYS 20 + HD2 LYS 20 OK 70 94 - 74 - 3.0=54, 1.8/3079=7...(13) HG2 LYS 20 - HD3 LYS 43 OK 23 97 - 24 - 3069=3, 1.8/3079=2...(6) HG2 LYS 20 - HD2 LYS 43 OK 22 93 - 24 - 3069=3, 3069/1.8=2...(8) HG2 LYS 20 - HD3 LYS 73 OK 20 97 - 21 - 3069=3, 1.8/3079=2...(5) HG2 LYS 20 - HD2 LYS 73 OK 20 97 - 21 - 3069=3, 1.8/3079=2...(5) HG2 LYS 43 - HD3 LYS 20 OK 17 99 - 17 - 3847=3, 3847/1.8=2, 3841/5.3=1 HG2 LYS 43 - HD2 LYS 20 OK 17 99 - 17 - 3847=3, 3847/1.8=2, 3841/5.3=1 HG2 LYS 43 - HD3 LYS 73 OK 16 100 - 16 - 3846=2, 3846/1.8=2 HG2 LYS 43 - HD2 LYS 73 OK 15 100 - 16 - 3846=2, 3846/1.8=2 HG2 LYS 43 - HD3 LYS 96 lone 7 97 - 7 - 3846=1 HG2 LYS 43 - HD2 LYS 96 lone 7 95 - 7 - 3846=1 HG2 LYS 20 - HD3 LYS 96 lone 7 91 - 7 - 3069=1 HG2 LYS 20 - HD2 LYS 96 lone 7 90 - 7 - 3069=1 QB ALA 124 - HG12 ILE 71 lone 3 69 - 4 - HB3 ARG 30 - HG12 ILE 71 lone 2 78 - 3 - HD3 LYS 17 - HD3 LYS 20 lone 2 98 - 2 - HD3 LYS 17 - HD2 LYS 20 lone 2 97 - 2 - HG2 ARG 30 - HG12 ILE 71 lone 2 50 - 4 - HD3 LYS 17 - HG12 ILE 71 lone 2 77 - 2 - HB3 LEU 14 - HD3 LYS 20 lone 2 75 - 2 - HB3 LEU 14 - HD2 LYS 20 lone 2 74 - 2 - QB ALA 124 - HD3 LYS 73 lone 1 94 - 1 - QB ALA 124 - HD2 LYS 73 lone 1 94 - 1 - HB2 LEU 6 - HD3 LYS 20 lone 1 98 - 1 - HB2 LEU 6 - HD2 LYS 20 lone 1 97 - 1 - QB ALA 124 - HD3 LYS 20 lone 1 92 - 1 - QB ALA 124 - HD3 LYS 43 lone 1 94 - 1 - QB ALA 124 - HD2 LYS 20 lone 1 91 - 1 - HB2 LEU 6 - HD3 LYS 43 lone 1 99 - 1 - QB ALA 124 - HD2 LYS 43 lone 1 89 - 1 - HB2 LEU 6 - HD2 LYS 43 lone 1 95 - 1 - HD3 LYS 17 - HD3 LYS 43 lone 1 99 - 1 - HD3 LYS 17 - HD2 LYS 43 lone 1 96 - 1 - HG LEU 38 - HD3 LYS 43 lone 1 96 - 1 - HB2 LEU 6 - HD3 LYS 73 lone 1 99 - 1 - HB2 LEU 6 - HD2 LYS 73 lone 1 99 - 1 - HG LEU 6 - HD3 LYS 20 lone 1 96 - 1 - HG LEU 38 - HD2 LYS 43 lone 1 91 - 1 - HG LEU 6 - HD2 LYS 20 lone 1 94 - 1 - HB3 LEU 14 - HD2 LYS 43 lone 1 72 - 1 - HD3 LYS 17 - HD3 LYS 96 lone 1 95 - 1 - HD3 LYS 17 - HD2 LYS 96 lone 1 94 - 1 - HB3 LEU 14 - HD3 LYS 43 lone 1 77 - 1 - HG LEU 6 - HD2 LYS 43 lone 1 93 - 1 - HG LEU 6 - HD3 LYS 43 lone 1 97 - 1 - HB2 LEU 6 - HD3 LYS 96 lone 1 94 - 1 - HB2 LEU 6 - HD2 LYS 96 lone 1 93 - 1 - HG LEU 38 - HD3 LYS 20 lone 0 94 - 1 - HG LEU 38 - HD3 LYS 96 lone 0 90 - 1 - QB ALA 124 - HD3 LYS 96 lone 0 88 - 1 - HG LEU 38 - HD2 LYS 20 lone 0 93 - 1 - HG LEU 38 - HD2 LYS 96 lone 0 88 - 1 - QB ALA 124 - HD2 LYS 96 lone 0 86 - 1 - HD3 LYS 17 - HD3 LYS 73 lone 0 99 - 0 - HD3 LYS 17 - HD2 LYS 73 lone 0 99 - 0 - HG LEU 6 - HD3 LYS 96 lone 0 91 - 0 - HG LEU 6 - HD2 LYS 96 lone 0 90 - 0 - HG LEU 6 - HD3 LYS 73 lone 0 97 - 0 - HB2 LEU 6 - HG12 ILE 71 lone 0 75 - 1 - HG LEU 6 - HD2 LYS 73 lone 0 97 - 0 - HG2 LYS 20 - HG12 ILE 71 lone 0 73 - 0 - HG LEU 38 - HD2 LYS 73 lone 0 95 - 0 - HG LEU 38 - HD3 LYS 73 lone 0 96 - 0 - HB3 ARG 30 - HD3 LYS 43 lone 0 100 - 0 - HB3 ARG 30 - HD3 LYS 20 lone 0 99 - 0 - HB3 ARG 30 - HD2 LYS 43 lone 0 97 - 0 - HB3 ARG 30 - HD2 LYS 20 lone 0 99 - 0 - HG LEU 38 - HG12 ILE 71 lone 0 71 - 0 - HB2 LYS 61 - HD3 LYS 43 lone 0 99 - 0 - HB2 LYS 61 - HD2 LYS 43 lone 0 96 - 0 - HB2 LYS 61 - HD3 LYS 20 lone 0 98 - 0 - HG LEU 6 - HG12 ILE 71 lone 0 73 - 0 - HB2 LYS 61 - HD2 LYS 20 lone 0 97 - 0 - HB3 ARG 30 - HD3 LYS 96 lone 0 96 - 0 - HB3 ARG 30 - HD2 LYS 96 lone 0 95 - 0 - HB3 ARG 30 - HD3 LYS 73 lone 0 100 - 0 - HB3 ARG 30 - HD2 LYS 73 lone 0 100 - 0 - HB3 LEU 14 - HD3 LYS 73 lone 0 77 - 0 - HB3 LEU 14 - HD2 LYS 73 lone 0 77 - 0 - HB2 LYS 61 - HD3 LYS 73 lone 0 99 - 0 - HB2 LYS 61 - HD3 LYS 96 lone 0 95 - 0 - HB2 LYS 61 - HD2 LYS 73 lone 0 99 - 0 - HG2 ARG 30 - HD3 LYS 96 lone 0 67 - 0 - HB2 LYS 61 - HD2 LYS 96 lone 0 94 - 0 - HG2 ARG 30 - HD2 LYS 96 lone 0 65 - 0 - HG2 ARG 30 - HD3 LYS 43 lone 0 73 - 0 - HG2 LYS 43 - HG12 ILE 71 lone 0 78 - 0 - HG2 ARG 30 - HD3 LYS 20 lone 0 71 - 0 - HG2 ARG 30 - HD2 LYS 20 lone 0 70 - 0 - HG2 ARG 30 - HD2 LYS 43 lone 0 68 - 0 - HB2 LYS 61 - HG12 ILE 71 lone 0 77 - 0 - HG2 ARG 30 - HD3 LYS 73 lone 0 73 - 0 - HG2 ARG 30 - HD2 LYS 73 lone 0 73 - 0 - HB3 LEU 14 - HD3 LYS 96 lone 0 71 - 0 - HB3 LEU 14 - HD2 LYS 96 lone 0 69 - 0 - HB3 LEU 14 - HG12 ILE 71 lone 0 53 - 0 - Peak 3875 from cnoeabs.peaks (1.37, 1.68, 28.78 ppm; 3.06 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 43 + HD3 LYS 43 OK 100 100 - 100 - 2.9=100 HG3 LYS 43 + HD2 LYS 43 OK 97 97 - 100 - 2.9=100 Peak 3876 from cnoeabs.peaks (1.68, 1.68, 28.78 ppm; diagonal): 9 out of 9 assignments used, quality = 1.00: HD3 LYS 43 + HD3 LYS 43 OK 99 99 - 100 HD3 LYS 73 + HD3 LYS 73 OK 99 99 - 100 HD2 LYS 73 + HD2 LYS 73 OK 98 98 - 100 HD2 LYS 43 + HD2 LYS 43 OK 97 97 - 100 HD3 LYS 96 + HD3 LYS 96 OK 95 95 - 100 HD2 LYS 96 + HD2 LYS 96 OK 95 95 - 100 HD3 LYS 20 + HD3 LYS 20 OK 94 94 - 100 HD2 LYS 20 + HD2 LYS 20 OK 91 91 - 100 HG12 ILE 71 + HG12 ILE 71 OK 53 53 - 100 Reference assignment not found: HD2 LYS 43 - HD3 LYS 43 Peak 3877 from cnoeabs.peaks (1.68, 1.68, 28.78 ppm; diagonal): 9 out of 9 assignments used, quality = 1.00: * HD3 LYS 43 + HD3 LYS 43 OK 100 100 - 100 HD3 LYS 73 + HD3 LYS 73 OK 100 100 - 100 HD2 LYS 73 + HD2 LYS 73 OK 100 100 - 100 HD3 LYS 20 + HD3 LYS 20 OK 99 99 - 100 HD2 LYS 20 + HD2 LYS 20 OK 97 97 - 100 HD3 LYS 96 + HD3 LYS 96 OK 96 96 - 100 HD2 LYS 43 + HD2 LYS 43 OK 95 95 - 100 HD2 LYS 96 + HD2 LYS 96 OK 94 94 - 100 HG12 ILE 71 + HG12 ILE 71 OK 67 67 - 100 Peak 3878 from cnoeabs.peaks (2.98, 1.68, 28.78 ppm; 2.54 A): 12 out of 126 assignments used, quality = 1.00: HE2 LYS 73 + HD3 LYS 73 OK 79 100 - 79 - 2.9=66, 5197/3.0=5...(17) HE2 LYS 73 + HD2 LYS 73 OK 79 100 - 79 - 2.9=66, 5197/3.0=5...(17) HE3 LYS 73 + HD3 LYS 73 OK 78 100 - 78 - 2.9=66, 5197/3.0=4...(17) HE3 LYS 73 + HD2 LYS 73 OK 78 100 - 78 - 2.9=66, 5197/3.0=4...(17) * HE2 LYS 43 + HD3 LYS 43 OK 76 100 - 76 - 3.0=62, 3.9/3846=3...(16) HE2 LYS 43 + HD2 LYS 43 OK 74 97 - 76 - 3.0=62, 3.9/3846=4...(16) HE3 LYS 43 + HD3 LYS 43 OK 74 99 - 75 - 3.0=62, 3.9/3846=3...(14) HE3 LYS 43 + HD2 LYS 43 OK 71 95 - 75 - 3.0=62, 3.9/3846=4...(14) HE3 LYS 20 + HD3 LYS 20 OK 55 71 - 77 - 3.0=62, 3.9/3079=3...(17) HE2 LYS 20 + HD3 LYS 20 OK 55 71 - 77 - 3.0=62, 3.9/3079=3...(17) HE2 LYS 20 + HD2 LYS 20 OK 54 70 - 77 - 3.0=62, 3.9/3079=3...(17) HE3 LYS 20 + HD2 LYS 20 OK 54 70 - 77 - 3.0=62, 3.9/3079=3...(17) HE2 LYS 43 - HD3 LYS 20 OK 21 99 - 21 - 5198/3.0=1, 3884/3.0=1 HE2 LYS 43 - HD2 LYS 20 OK 20 99 - 21 - 5198/3.0=1, 3884/3.0=1 HE2 LYS 73 - HD3 LYS 20 OK 19 99 - 20 - 5198/3.0=1 HE2 LYS 73 - HD2 LYS 20 OK 19 98 - 20 - 5198/3.0=1 HE3 LYS 43 - HD3 LYS 20 OK 18 98 - 19 - 5198/3.0=1, 3884/3.0=1 HE3 LYS 43 - HD2 LYS 20 OK 18 97 - 19 - 5198/3.0=1, 3884/3.0=1 HE3 LYS 73 - HD3 LYS 20 OK 18 99 - 18 - 5198/3.0=1 HE3 LYS 73 - HD2 LYS 20 OK 17 98 - 18 - 5198/3.0=1 HE2 LYS 43 - HD3 LYS 73 OK 15 100 - 16 - 5197/3.0=2, 5171/3.0=1 HE2 LYS 43 - HD2 LYS 73 OK 15 100 - 16 - 5197/3.0=2, 5171/3.0=1 HE3 LYS 43 - HD3 LYS 73 OK 14 99 - 15 - 5197/3.0=1, 5171/3.0=1 HE3 LYS 43 - HD2 LYS 73 OK 14 99 - 15 - 5197/3.0=1, 5171/3.0=1 HE2 LYS 73 - HD3 LYS 43 OK 13 100 - 13 - 3848/2.9=1 HE2 LYS 73 - HD2 LYS 43 OK 12 97 - 13 - 3848/2.9=1 HE3 LYS 73 - HD3 LYS 43 OK 12 100 - 12 - 3848/2.9=1 HE3 LYS 73 - HD2 LYS 43 OK 11 97 - 12 - 3848/2.9=1 HE2 LYS 40 - HD3 LYS 20 poor 9 85 - 10 - HE2 LYS 40 - HD2 LYS 20 poor 9 83 - 10 - HE2 LYS 20 - HD3 LYS 73 poor 9 73 - 12 - HE3 LYS 20 - HD3 LYS 73 poor 9 73 - 12 - HE2 LYS 20 - HD2 LYS 73 poor 9 73 - 12 - HE3 LYS 20 - HD2 LYS 73 poor 9 73 - 12 - HE3 LYS 40 - HD3 LYS 20 poor 8 79 - 11 - HE2 LYS 20 - HD3 LYS 43 poor 8 73 - 12 - 3.9/3069=1 HE3 LYS 20 - HD3 LYS 43 poor 8 73 - 12 - 3.9/3069=1 HE3 LYS 40 - HD2 LYS 20 poor 8 77 - 11 - HE2 LYS 40 - HD3 LYS 43 lone 8 87 - 9 - HE2 LYS 20 - HD2 LYS 43 poor 8 68 - 12 - HE3 LYS 20 - HD2 LYS 43 poor 8 68 - 12 - HE2 LYS 40 - HD2 LYS 43 lone 7 82 - 9 - HE3 LYS 40 - HD3 LYS 43 lone 7 81 - 9 - HE2 LYS 73 - HD3 LYS 96 lone 7 96 - 7 - HE2 LYS 73 - HD2 LYS 96 lone 7 95 - 7 - HE3 LYS 40 - HD2 LYS 43 lone 7 75 - 9 - HE3 LYS 73 - HD3 LYS 96 lone 7 96 - 7 - HE3 LYS 73 - HD2 LYS 96 lone 7 94 - 7 - HE2 LYS 43 - HD3 LYS 96 lone 6 97 - 6 - HE2 LYS 43 - HD2 LYS 96 lone 6 95 - 6 - HE3 LYS 43 - HD3 LYS 96 lone 6 94 - 6 - HE3 LYS 43 - HD2 LYS 96 lone 6 93 - 6 - HE2 LYS 20 - HD3 LYS 96 lone 4 67 - 6 - HE3 LYS 20 - HD3 LYS 96 lone 4 67 - 6 - HE2 LYS 40 - HD3 LYS 73 lone 4 87 - 5 - HE2 LYS 40 - HD2 LYS 73 lone 4 87 - 5 - HE2 LYS 20 - HD2 LYS 96 lone 4 65 - 6 - HE3 LYS 20 - HD2 LYS 96 lone 4 65 - 6 - HE3 LYS 40 - HD3 LYS 73 lone 4 81 - 5 - HE3 LYS 40 - HD2 LYS 73 lone 4 80 - 5 - HE2 LYS 40 - HD3 LYS 96 lone 3 80 - 4 - HE2 LYS 40 - HD2 LYS 96 lone 3 79 - 4 - HE3 LYS 39 - HD3 LYS 73 lone 3 100 - 3 - HE3 LYS 39 - HD2 LYS 73 lone 3 100 - 3 - HE2 LYS 39 - HD3 LYS 73 lone 3 100 - 3 - HE2 LYS 39 - HD2 LYS 73 lone 3 100 - 3 - HE3 LYS 40 - HD3 LYS 96 lone 3 74 - 4 - HE3 LYS 39 - HD3 LYS 96 lone 3 96 - 3 - HE2 LYS 39 - HD3 LYS 96 lone 3 96 - 3 - HE3 LYS 40 - HD2 LYS 96 lone 3 72 - 4 - HE3 LYS 39 - HD2 LYS 96 lone 3 95 - 3 - HE2 LYS 39 - HD2 LYS 96 lone 3 95 - 3 - HE3 LYS 39 - HD3 LYS 43 lone 3 100 - 3 - HE2 LYS 39 - HD3 LYS 43 lone 3 100 - 2 - HE3 LYS 39 - HD2 LYS 43 lone 3 97 - 2 - HE3 LYS 39 - HD3 LYS 20 lone 2 99 - 2 - HE2 LYS 39 - HD2 LYS 43 lone 2 97 - 2 - HE3 LYS 39 - HD2 LYS 20 lone 2 99 - 2 - HE2 LYS 39 - HD3 LYS 20 lone 2 99 - 2 - HE2 LYS 39 - HD2 LYS 20 lone 2 99 - 2 - HD3 ARG 118 - HD3 LYS 20 lone 1 92 - 1 - HD3 ARG 118 - HD2 LYS 20 lone 1 91 - 1 - HE2 LYS 73 - HG12 ILE 71 lone 1 78 - 1 - HE3 LYS 73 - HG12 ILE 71 lone 1 77 - 1 - HD3 ARG 118 - HD3 LYS 73 lone 0 94 - 0 - HD3 ARG 118 - HD2 LYS 73 lone 0 94 - 0 - HD3 ARG 118 - HD3 LYS 43 lone 0 94 - 0 - HB3 ASN 24 - HD3 LYS 73 lone 0 84 - 0 - HB2 ASN 24 - HD3 LYS 73 lone 0 84 - 0 - HB2 ASN 24 - HD2 LYS 73 lone 0 84 - 0 - HB3 ASN 24 - HD2 LYS 73 lone 0 84 - 0 - HB3 ASN 24 - HD3 LYS 20 lone 0 82 - 0 - HB2 ASN 24 - HD3 LYS 20 lone 0 82 - 0 - HE2 LYS 43 - HG12 ILE 71 lone 0 78 - 0 - HD3 ARG 118 - HD2 LYS 43 lone 0 89 - 0 - HB3 ASN 24 - HD2 LYS 20 lone 0 80 - 0 - HB2 ASN 24 - HD2 LYS 20 lone 0 80 - 0 - HB3 ASN 24 - HD3 LYS 43 lone 0 84 - 0 - HB2 ASN 24 - HD3 LYS 43 lone 0 84 - 0 - HE3 LYS 43 - HG12 ILE 71 lone 0 75 - 0 - HB3 ASN 24 - HD2 LYS 43 lone 0 78 - 0 - HB2 ASN 24 - HD2 LYS 43 lone 0 78 - 0 - HE3 LYS 39 - HG12 ILE 71 lone 0 78 - 0 - HE2 LYS 39 - HG12 ILE 71 lone 0 78 - 0 - HD3 ARG 118 - HD3 LYS 96 lone 0 88 - 0 - HB3 PHE 51 - HD3 LYS 73 lone 0 84 - 0 - HB3 PHE 51 - HD2 LYS 73 lone 0 84 - 0 - HD3 ARG 118 - HD2 LYS 96 lone 0 86 - 0 - HB3 PHE 51 - HD3 LYS 43 lone 0 84 - 0 - HB3 PHE 51 - HD3 LYS 20 lone 0 82 - 0 - HB3 PHE 51 - HD2 LYS 43 lone 0 78 - 0 - HB3 PHE 51 - HD2 LYS 20 lone 0 80 - 0 - HB3 ASN 24 - HD3 LYS 96 lone 0 77 - 0 - HB2 ASN 24 - HD3 LYS 96 lone 0 77 - 0 - HE2 LYS 20 - HG12 ILE 71 lone 0 50 - 0 - HE3 LYS 20 - HG12 ILE 71 lone 0 50 - 0 - HB3 ASN 24 - HD2 LYS 96 lone 0 76 - 0 - HB2 ASN 24 - HD2 LYS 96 lone 0 76 - 0 - HB3 PHE 51 - HD3 LYS 96 lone 0 77 - 0 - HE2 LYS 40 - HG12 ILE 71 lone 0 62 - 0 - HB3 PHE 51 - HD2 LYS 96 lone 0 76 - 0 - HD3 ARG 118 - HG12 ILE 71 lone 0 69 - 0 - HE3 LYS 40 - HG12 ILE 71 lone 0 56 - 0 - HB3 ASN 24 - HG12 ILE 71 lone 0 59 - 0 - HB2 ASN 24 - HG12 ILE 71 lone 0 59 - 0 - HB3 PHE 51 - HG12 ILE 71 lone 0 59 - 0 - Peak 3879 from cnoeabs.peaks (2.98, 1.68, 28.78 ppm; 2.54 A): 12 out of 126 assignments used, quality = 1.00: HE3 LYS 73 + HD3 LYS 73 OK 78 100 - 78 - 2.9=66, 5197/3.0=4...(17) HE3 LYS 73 + HD2 LYS 73 OK 78 100 - 78 - 2.9=66, 5197/3.0=4...(17) HE2 LYS 73 + HD3 LYS 73 OK 77 97 - 79 - 2.9=66, 5197/3.0=4...(17) HE2 LYS 73 + HD2 LYS 73 OK 77 97 - 79 - 2.9=66, 5197/3.0=4...(17) HE2 LYS 43 + HD3 LYS 43 OK 75 99 - 76 - 3.0=62, 3.9/3846=3...(16) * HE3 LYS 43 + HD3 LYS 43 OK 75 100 - 75 - 3.0=62, 3.9/3846=3...(14) HE3 LYS 43 + HD2 LYS 43 OK 73 97 - 75 - 3.0=62, 3.9/3846=4...(14) HE2 LYS 43 + HD2 LYS 43 OK 72 95 - 76 - 3.0=62, 3.9/3846=4...(16) HE3 LYS 20 + HD3 LYS 20 OK 68 88 - 77 - 3.0=62, 3.9/3079=3...(17) HE2 LYS 20 + HD3 LYS 20 OK 68 88 - 77 - 3.0=62, 3.9/3079=3...(17) HE2 LYS 20 + HD2 LYS 20 OK 66 86 - 77 - 3.0=62, 3.9/3079=3...(17) HE3 LYS 20 + HD2 LYS 20 OK 66 86 - 77 - 3.0=62, 3.9/3079=3...(17) HE2 LYS 43 - HD3 LYS 20 OK 20 98 - 21 - 5198/3.0=1, 3884/3.0=1 HE2 LYS 43 - HD2 LYS 20 OK 20 97 - 21 - 5198/3.0=1, 3884/3.0=1 HE2 LYS 73 - HD3 LYS 20 OK 19 96 - 20 - 5198/3.0=1 HE3 LYS 43 - HD3 LYS 20 OK 18 99 - 19 - 3070/3.0=1, 5198/3.0=1 HE2 LYS 73 - HD2 LYS 20 OK 18 94 - 20 - 5198/3.0=1 HE3 LYS 43 - HD2 LYS 20 OK 18 99 - 19 - 3071/3.0=1, 5198/3.0=1 HE3 LYS 73 - HD3 LYS 20 OK 18 99 - 18 - 5198/3.0=1 HE3 LYS 73 - HD2 LYS 20 OK 17 98 - 18 - 5198/3.0=1 HE2 LYS 43 - HD3 LYS 73 OK 15 99 - 15 - 5197/3.0=2, 5172/3.0=1 HE2 LYS 43 - HD2 LYS 73 OK 15 99 - 15 - 5197/3.0=2, 5172/3.0=1 HE3 LYS 43 - HD3 LYS 73 OK 14 100 - 14 - 5197/3.0=1, 5172/3.0=1 HE3 LYS 43 - HD2 LYS 73 OK 14 100 - 14 - 5197/3.0=1, 5172/3.0=1 HE2 LYS 73 - HD3 LYS 43 OK 12 97 - 13 - 3848/2.9=1 HE2 LYS 73 - HD2 LYS 43 OK 12 93 - 13 - 3848/2.9=1 HE3 LYS 73 - HD3 LYS 43 OK 12 100 - 12 - 3848/2.9=1 HE3 LYS 73 - HD2 LYS 43 OK 11 97 - 12 - 3848/2.9=1 HE2 LYS 20 - HD3 LYS 73 OK 11 90 - 12 - HE3 LYS 20 - HD3 LYS 73 OK 11 90 - 12 - HE3 LYS 20 - HD2 LYS 73 OK 11 89 - 12 - HE2 LYS 20 - HD2 LYS 73 OK 11 89 - 12 - HE2 LYS 40 - HD3 LYS 20 OK 11 96 - 11 - HE3 LYS 40 - HD3 LYS 20 OK 11 92 - 11 - HE3 LYS 20 - HD3 LYS 43 OK 10 90 - 12 - 3.9/3069=1 HE2 LYS 20 - HD3 LYS 43 OK 10 90 - 12 - 3.9/3069=1 HE2 LYS 40 - HD2 LYS 20 OK 10 94 - 11 - HE3 LYS 40 - HD2 LYS 20 OK 10 91 - 11 - HE2 LYS 20 - HD2 LYS 43 poor 10 84 - 12 - HE3 LYS 20 - HD2 LYS 43 poor 10 84 - 12 - HE2 LYS 40 - HD3 LYS 43 lone 9 97 - 9 - HE3 LYS 40 - HD3 LYS 43 lone 9 94 - 9 - HE2 LYS 40 - HD2 LYS 43 lone 9 93 - 9 - HE3 LYS 40 - HD2 LYS 43 lone 8 89 - 9 - HE2 LYS 73 - HD3 LYS 96 lone 7 91 - 7 - HE3 LYS 73 - HD3 LYS 96 lone 7 96 - 7 - HE2 LYS 73 - HD2 LYS 96 lone 7 90 - 7 - HE3 LYS 73 - HD2 LYS 96 lone 7 95 - 7 - HE2 LYS 43 - HD3 LYS 96 lone 6 94 - 6 - HE2 LYS 43 - HD2 LYS 96 lone 6 93 - 6 - HE3 LYS 43 - HD3 LYS 96 lone 6 97 - 6 - HE3 LYS 43 - HD2 LYS 96 lone 6 95 - 6 - HE2 LYS 20 - HD3 LYS 96 lone 6 83 - 7 - HE3 LYS 20 - HD3 LYS 96 lone 6 83 - 7 - HE3 LYS 20 - HD2 LYS 96 lone 5 81 - 7 - HE2 LYS 20 - HD2 LYS 96 lone 5 81 - 7 - HE3 LYS 40 - HD3 LYS 73 lone 5 94 - 5 - HE3 LYS 40 - HD2 LYS 73 lone 5 94 - 5 - HE2 LYS 40 - HD3 LYS 73 lone 5 97 - 5 - HE2 LYS 40 - HD2 LYS 73 lone 5 97 - 5 - HE2 LYS 40 - HD3 LYS 96 lone 4 91 - 4 - HE2 LYS 40 - HD2 LYS 96 lone 4 90 - 4 - HE3 LYS 40 - HD3 LYS 96 lone 4 88 - 4 - HE3 LYS 40 - HD2 LYS 96 lone 4 86 - 4 - HE2 LYS 39 - HD3 LYS 73 lone 3 99 - 3 - HE2 LYS 39 - HD2 LYS 73 lone 3 99 - 3 - HE3 LYS 39 - HD3 LYS 73 lone 3 98 - 3 - HE3 LYS 39 - HD2 LYS 73 lone 3 98 - 3 - HE2 LYS 39 - HD3 LYS 96 lone 3 95 - 3 - HE3 LYS 39 - HD3 LYS 96 lone 3 93 - 3 - HE2 LYS 39 - HD2 LYS 96 lone 3 94 - 3 - HE3 LYS 39 - HD2 LYS 96 lone 3 91 - 3 - HE2 LYS 39 - HD3 LYS 43 lone 3 99 - 2 - HE3 LYS 39 - HD3 LYS 43 lone 3 98 - 3 - HE2 LYS 39 - HD2 LYS 43 lone 2 96 - 2 - HE3 LYS 39 - HD2 LYS 43 lone 2 94 - 2 - HE3 LYS 39 - HD3 LYS 20 lone 2 97 - 2 - HE2 LYS 39 - HD3 LYS 20 lone 2 98 - 2 - HE2 LYS 39 - HD2 LYS 20 lone 2 97 - 2 - HE3 LYS 39 - HD2 LYS 20 lone 2 96 - 2 - HD3 ARG 118 - HD3 LYS 20 lone 2 98 - 2 - HD3 ARG 118 - HD2 LYS 20 lone 2 97 - 2 - HE3 LYS 73 - HG12 ILE 71 lone 1 78 - 1 - HE2 LYS 73 - HG12 ILE 71 lone 1 73 - 1 - HD3 ARG 118 - HD3 LYS 73 lone 0 99 - 0 - HD3 ARG 118 - HD2 LYS 73 lone 0 99 - 0 - HB2 ASN 24 - HD3 LYS 20 lone 0 94 - 0 - HB3 ASN 24 - HD3 LYS 20 lone 0 94 - 0 - HB3 ASN 24 - HD2 LYS 20 lone 0 93 - 0 - HB2 ASN 24 - HD2 LYS 20 lone 0 93 - 0 - HB2 ASN 24 - HD3 LYS 73 lone 0 96 - 0 - HB3 ASN 24 - HD3 LYS 73 lone 0 96 - 0 - HB2 ASN 24 - HD2 LYS 73 lone 0 95 - 0 - HB3 ASN 24 - HD2 LYS 73 lone 0 95 - 0 - HD3 ARG 118 - HD3 LYS 43 lone 0 99 - 0 - HB3 ASN 24 - HD3 LYS 43 lone 0 96 - 0 - HB2 ASN 24 - HD3 LYS 43 lone 0 96 - 0 - HD3 ARG 118 - HD2 LYS 43 lone 0 96 - 0 - HB3 ASN 24 - HD2 LYS 43 lone 0 91 - 0 - HB2 ASN 24 - HD2 LYS 43 lone 0 91 - 0 - HE3 LYS 43 - HG12 ILE 71 lone 0 78 - 0 - HE2 LYS 43 - HG12 ILE 71 lone 0 75 - 0 - HB3 PHE 51 - HD3 LYS 20 lone 0 94 - 0 - HB3 PHE 51 - HD3 LYS 73 lone 0 96 - 0 - HB3 PHE 51 - HD2 LYS 20 lone 0 93 - 0 - HB3 PHE 51 - HD2 LYS 73 lone 0 95 - 0 - HB3 PHE 51 - HD3 LYS 43 lone 0 96 - 0 - HE3 LYS 20 - HG12 ILE 71 lone 0 64 - 0 - HE2 LYS 20 - HG12 ILE 71 lone 0 64 - 0 - HD3 ARG 118 - HD3 LYS 96 lone 0 95 - 0 - HD3 ARG 118 - HD2 LYS 96 lone 0 94 - 0 - HE2 LYS 39 - HG12 ILE 71 lone 0 77 - 0 - HB3 PHE 51 - HD2 LYS 43 lone 0 91 - 0 - HE3 LYS 39 - HG12 ILE 71 lone 0 74 - 0 - HB2 ASN 24 - HD3 LYS 96 lone 0 90 - 0 - HB3 ASN 24 - HD3 LYS 96 lone 0 90 - 0 - HB3 ASN 24 - HD2 LYS 96 lone 0 88 - 0 - HB2 ASN 24 - HD2 LYS 96 lone 0 88 - 0 - HE2 LYS 40 - HG12 ILE 71 lone 0 73 - 0 - HB3 PHE 51 - HD3 LYS 96 lone 0 90 - 0 - HB3 PHE 51 - HD2 LYS 96 lone 0 88 - 0 - HE3 LYS 40 - HG12 ILE 71 lone 0 69 - 0 - HD3 ARG 118 - HG12 ILE 71 lone 0 77 - 0 - HB3 ASN 24 - HG12 ILE 71 lone 0 71 - 0 - HB2 ASN 24 - HG12 ILE 71 lone 0 71 - 0 - HB3 PHE 51 - HG12 ILE 71 lone 0 71 - 0 - Peak 3882 from cnoeabs.peaks (1.91, 2.98, 41.78 ppm; 3.34 A): 8 out of 160 assignments used, quality = 1.00: * HB2 LYS 43 + HE2 LYS 43 OK 78 100 - 78 - 4.7=37, 3.0/3848=6...(42) HB3 LYS 43 + HE2 LYS 43 OK 76 98 - 77 - 4.7=37, 3.0/3848=6...(42) HB2 LYS 43 + HE3 LYS 43 OK 75 97 - 77 - 4.7=37, 3.0/3848=6...(40) HB3 LYS 43 + HE3 LYS 43 OK 71 94 - 76 - 4.7=37, 3.0/3848=6...(40) HB2 LYS 73 + HE2 LYS 73 OK 67 86 - 78 - 4.9=32, 2.9/5197=8...(34) HB2 LYS 73 + HE3 LYS 73 OK 66 85 - 77 - 4.9=32, 2.9/5197=8...(32) HB3 LYS 73 + HE2 LYS 73 OK 65 83 - 78 - 4.9=32, 2.9/5197=8...(33) HB3 LYS 73 + HE3 LYS 73 OK 63 82 - 77 - 4.9=32, 2.9/5197=8...(32) HB2 LYS 73 - HE2 LYS 43 OK 28 87 - 33 - 2.9/5197=3, 2.9/5171=3...(10) HB3 LYS 73 - HE2 LYS 43 OK 27 84 - 33 - 2.9/5197=3, 2.9/5171=3...(10) HB2 LYS 43 - HE2 LYS 73 OK 27 100 - 27 - 3.0/3848=2, 3.0/3885=1...(4) HB3 LYS 20 - HE2 LYS 43 OK 26 70 - 38 - 2.9/5198=2, 2.9/3884=2...(8) HB2 LYS 20 - HE2 LYS 43 OK 26 70 - 38 - 2.9/5198=2, 2.9/3884=2...(8) HB2 LYS 73 - HE3 LYS 43 OK 26 82 - 32 - 2.9/5171=3, 2.9/5197=3...(9) HB2 LYS 43 - HE3 LYS 73 OK 25 99 - 26 - 3.0/3848=2, 3.0/3885=1...(5) HB3 LYS 43 - HE2 LYS 73 OK 25 98 - 26 - 3.0/3848=2, 3.0/3885=1...(4) HB2 LYS 20 - HE2 LYS 73 OK 25 69 - 37 - 2.9/5198=2, 2.9/3884=2...(7) HB3 LYS 20 - HE2 LYS 73 OK 25 69 - 37 - 2.9/5198=2, 2.9/3884=2...(7) HB3 LYS 73 - HE3 LYS 43 OK 25 78 - 32 - 2.9/5171=3, 2.9/5197=3...(9) HB3 LYS 43 - HE3 LYS 73 OK 24 97 - 25 - 3.0/3848=2, 3.0/3885=1...(5) HB2 LYS 20 - HE3 LYS 73 OK 23 68 - 34 - 2.9/5198=2, 2.9/3884=2, ~5198=1 HB3 LYS 20 - HE3 LYS 73 OK 23 68 - 34 - 2.9/5198=2, 2.9/3884=2, ~5198=1 HB2 LYS 20 - HE3 LYS 43 OK 23 64 - 35 - 2.9/5198=2, 2.9/3884=2...(8) HB3 LYS 20 - HE3 LYS 43 OK 23 64 - 35 - 2.9/5198=2, 2.9/3884=2...(8) HB2 LYS 96 - HE2 LYS 73 OK 13 98 - 13 - HB2 LYS 96 - HE3 LYS 73 OK 13 97 - 13 - HB2 LYS 43 - HE2 LYS 40 OK 12 73 - 16 - 3.0/3849=1, 8064/6.4=1 HB2 LYS 96 - HE2 LYS 43 OK 12 98 - 12 - HB2 LYS 44 - HE3 LYS 39 OK 12 99 - 12 - HB2 LYS 44 - HE2 LYS 39 OK 12 99 - 12 - HB2 LYS 44 - HE2 LYS 43 OK 12 99 - 12 - HB3 LYS 44 - HE3 LYS 39 OK 11 100 - 11 - HB3 LYS 44 - HE2 LYS 39 OK 11 100 - 11 - HB2 LYS 44 - HE3 LYS 43 OK 11 96 - 12 - HB2 LYS 96 - HE3 LYS 43 OK 11 94 - 12 - HB3 LYS 44 - HE2 LYS 43 OK 11 100 - 11 - HB3 LYS 43 - HE2 LYS 40 OK 11 69 - 16 - 3.0/3849=1, 8064/6.4=1 HB3 LYS 44 - HE3 LYS 43 OK 11 97 - 11 - HB2 LYS 43 - HE3 LYS 40 OK 10 63 - 16 - 3.0/3849=1, 8064/6.4=1 HB2 LYS 44 - HE2 LYS 73 lone 9 99 - 9 - HB2 LYS 44 - HE3 LYS 73 lone 9 98 - 9 - HB3 LYS 43 - HE3 LYS 40 poor 9 59 - 16 - 3.0/3849=1, 8064/6.4=1 HB3 LYS 44 - HE2 LYS 73 lone 9 100 - 9 - HB3 LYS 44 - HE3 LYS 73 lone 9 99 - 9 - HB3 LYS 20 - HE2 LYS 40 poor 8 44 - 19 - 2.9/3071=1 HB2 LYS 20 - HE2 LYS 40 poor 8 44 - 19 - 2.9/3071=1 HB2 LYS 96 - HE2 LYS 39 lone 8 98 - 8 - HB2 LYS 96 - HE3 LYS 39 lone 8 98 - 8 - HB3 LYS 20 - HE3 LYS 40 poor 7 36 - 19 - 2.9/3070=1 HB2 LYS 20 - HE3 LYS 40 poor 7 36 - 19 - 2.9/3070=1 HB2 LYS 96 - HE2 LYS 40 lone 7 69 - 10 - 8064/6.4=1 HB2 LYS 43 - HE3 LYS 39 lone 6 100 - 6 - HB2 LYS 73 - HE3 LYS 39 lone 6 87 - 7 - HB2 LYS 73 - HE2 LYS 39 lone 6 87 - 7 - HB2 LYS 43 - HE2 LYS 39 lone 6 100 - 6 - HB3 LYS 43 - HE3 LYS 39 lone 6 98 - 6 - HB3 LYS 73 - HE3 LYS 39 lone 6 84 - 7 - HB3 LYS 73 - HE2 LYS 39 lone 6 84 - 7 - HB3 LYS 43 - HE2 LYS 39 lone 6 98 - 6 - HB2 LYS 96 - HE3 LYS 40 lone 5 59 - 9 - 8064/6.4=1 HB2 LYS 73 - HE2 LYS 40 lone 5 57 - 9 - HB3 LYS 73 - HE2 LYS 40 lone 5 55 - 9 - HB3 LYS 123 - HE3 LYS 39 lone 5 97 - 5 - HB3 LYS 123 - HE2 LYS 39 lone 5 97 - 5 - HB2 LYS 73 - HE3 LYS 40 lone 4 48 - 9 - HB3 LYS 73 - HE3 LYS 40 lone 4 46 - 9 - HB2 LEU 45 - HE2 LYS 73 lone 4 99 - 4 - HB2 LEU 45 - HE3 LYS 73 lone 4 99 - 4 - HB3 LYS 20 - HE3 LYS 39 lone 3 69 - 5 - HB2 LYS 20 - HE3 LYS 39 lone 3 69 - 5 - HB3 LYS 20 - HE2 LYS 39 lone 3 69 - 4 - HB2 LYS 20 - HE2 LYS 39 lone 3 69 - 4 - HB2 LEU 45 - HE2 LYS 43 lone 2 100 - 2 - HB2 LEU 45 - HE3 LYS 43 lone 2 97 - 2 - HB ILE 71 - HE2 LYS 73 lone 2 89 - 2 - HB2 ARG 95 - HE3 LYS 73 lone 2 90 - 2 - HB2 ARG 95 - HE2 LYS 73 lone 2 91 - 2 - HB ILE 71 - HE3 LYS 73 lone 2 88 - 2 - HB2 ARG 95 - HE2 LYS 40 lone 2 62 - 3 - HB3 LYS 44 - HE2 LYS 40 lone 2 73 - 2 - HB2 LYS 44 - HE2 LYS 40 lone 2 71 - 2 - HB2 ARG 95 - HE2 LYS 43 lone 1 92 - 2 - HB2 ARG 95 - HE3 LYS 40 lone 1 52 - 3 - HB2 ARG 95 - HE3 LYS 43 lone 1 87 - 2 - HB3 LYS 44 - HE3 LYS 40 lone 1 63 - 2 - HB2 LYS 44 - HE3 LYS 40 lone 1 61 - 2 - HB3 LYS 123 - HE2 LYS 40 lone 1 68 - 2 - HB3 LYS 123 - HE2 LYS 43 lone 1 97 - 1 - HB3 LYS 123 - HE3 LYS 43 lone 1 93 - 1 - HB2 ARG 95 - HE2 LYS 39 lone 1 92 - 1 - HB2 LEU 81 - HE3 LYS 39 lone 1 87 - 1 - HB2 LEU 81 - HE2 LYS 39 lone 1 87 - 1 - HB3 LYS 123 - HE2 LYS 73 lone 1 96 - 1 - HB3 LYS 123 - HE3 LYS 40 lone 1 58 - 1 - HB3 LYS 123 - HE3 LYS 73 lone 1 96 - 1 - HB2 ARG 95 - HE3 LYS 39 lone 1 92 - 1 - HB ILE 15 - HE2 LYS 73 lone 1 95 - 1 - HB ILE 15 - HE3 LYS 73 lone 1 94 - 1 - HB3 LYS 17 - HE2 LYS 40 lone 1 49 - 1 - HB3 LYS 17 - HE2 LYS 43 lone 1 77 - 1 - HB2 LEU 45 - HE2 LYS 39 lone 1 100 - 1 - HB2 LEU 45 - HE3 LYS 39 lone 1 100 - 1 - HB3 LYS 17 - HE3 LYS 40 lone 1 41 - 1 - HB3 LYS 17 - HE3 LYS 43 lone 1 72 - 1 - HB3 LYS 17 - HE2 LYS 73 lone 1 76 - 1 - HB ILE 71 - HE3 LYS 39 lone 0 89 - 1 - HB ILE 71 - HE2 LYS 39 lone 0 89 - 1 - HB3 LYS 17 - HE3 LYS 73 lone 0 75 - 1 - HB2 LYS 49 - HE2 LYS 39 lone 0 95 - 0 - HB2 LYS 49 - HE3 LYS 39 lone 0 95 - 0 - HB ILE 71 - HE2 LYS 43 lone 0 90 - 1 - HB2 LYS 49 - HE2 LYS 43 lone 0 96 - 0 - HB2 LYS 49 - HE2 LYS 73 lone 0 95 - 0 - HB ILE 71 - HE3 LYS 43 lone 0 84 - 0 - HB2 LYS 49 - HE3 LYS 73 lone 0 94 - 0 - HB2 GLU 128 - HE2 LYS 39 lone 0 98 - 0 - HB2 GLU 128 - HE3 LYS 39 lone 0 98 - 0 - HB2 LYS 49 - HE3 LYS 43 lone 0 91 - 0 - HB ILE 7 - HE2 LYS 39 lone 0 77 - 1 - HB ILE 7 - HE3 LYS 39 lone 0 77 - 1 - HB2 GLU 128 - HE2 LYS 73 lone 0 98 - 0 - HB2 LEU 45 - HE2 LYS 40 lone 0 72 - 1 - HB2 GLU 128 - HE3 LYS 73 lone 0 97 - 0 - HB2 GLU 128 - HE2 LYS 43 lone 0 98 - 0 - HB2 GLU 128 - HE3 LYS 43 lone 0 94 - 0 - HB ILE 15 - HE2 LYS 43 lone 0 96 - 0 - HB2 LEU 81 - HE2 LYS 43 lone 0 87 - 0 - HB ILE 15 - HE3 LYS 39 lone 0 95 - 0 - HB ILE 15 - HE2 LYS 39 lone 0 95 - 0 - HB2 LEU 81 - HE3 LYS 43 lone 0 82 - 0 - HB ILE 7 - HE2 LYS 43 lone 0 77 - 0 - HB2 LEU 81 - HE2 LYS 73 lone 0 86 - 0 - HB2 LEU 45 - HE3 LYS 40 lone 0 62 - 1 - HB2 GLU 128 - HE2 LYS 40 lone 0 69 - 0 - HB2 LEU 81 - HE3 LYS 73 lone 0 85 - 0 - HB ILE 15 - HE3 LYS 43 lone 0 91 - 0 - HB3 LYS 17 - HE3 LYS 39 lone 0 77 - 0 - HG2 MET 121 - HE3 LYS 39 lone 0 92 - 0 - HG2 MET 121 - HE2 LYS 39 lone 0 92 - 0 - HB3 LYS 17 - HE2 LYS 39 lone 0 77 - 0 - HB ILE 7 - HE2 LYS 73 lone 0 76 - 0 - HG2 MET 121 - HE2 LYS 43 lone 0 92 - 0 - HB ILE 7 - HE3 LYS 73 lone 0 75 - 0 - HB ILE 7 - HE3 LYS 43 lone 0 72 - 0 - HG2 MET 121 - HE2 LYS 73 lone 0 91 - 0 - HG2 MET 121 - HE3 LYS 73 lone 0 90 - 0 - HG2 MET 121 - HE3 LYS 43 lone 0 87 - 0 - HB ILE 15 - HE2 LYS 40 lone 0 66 - 0 - HB2 GLU 128 - HE3 LYS 40 lone 0 59 - 0 - HB2 LYS 49 - HE2 LYS 40 lone 0 66 - 0 - HB ILE 71 - HE2 LYS 40 lone 0 60 - 0 - HB ILE 15 - HE3 LYS 40 lone 0 56 - 0 - HB2 LEU 81 - HE2 LYS 40 lone 0 57 - 0 - HB2 LYS 49 - HE3 LYS 40 lone 0 56 - 0 - HB ILE 71 - HE3 LYS 40 lone 0 50 - 0 - HG2 MET 121 - HE2 LYS 40 lone 0 62 - 0 - HB ILE 7 - HE2 LYS 40 lone 0 49 - 0 - HB2 LEU 81 - HE3 LYS 40 lone 0 48 - 0 - HG2 MET 121 - HE3 LYS 40 lone 0 52 - 0 - HB ILE 7 - HE3 LYS 40 lone 0 41 - 0 - Peak 3883 from cnoeabs.peaks (1.90, 2.98, 41.78 ppm; 3.34 A): 8 out of 160 assignments used, quality = 1.00: * HB3 LYS 43 + HE2 LYS 43 OK 77 100 - 77 - 4.7=37, 3.0/3848=6...(42) HB2 LYS 73 + HE2 LYS 73 OK 77 98 - 78 - 4.9=32, 2.9/5197=8...(34) HB2 LYS 43 + HE2 LYS 43 OK 76 98 - 78 - 4.7=37, 3.0/3848=6...(42) HB3 LYS 73 + HE2 LYS 73 OK 75 96 - 78 - 4.9=32, 2.9/5197=8...(34) HB2 LYS 73 + HE3 LYS 73 OK 75 97 - 77 - 4.9=32, 2.9/5197=8...(32) HB3 LYS 73 + HE3 LYS 73 OK 74 96 - 77 - 4.9=32, 2.9/5197=8...(32) HB3 LYS 43 + HE3 LYS 43 OK 74 97 - 76 - 4.7=37, 3.0/3848=6...(40) HB2 LYS 43 + HE3 LYS 43 OK 72 94 - 77 - 4.7=37, 3.0/3848=6...(40) HB2 LYS 20 - HE2 LYS 43 OK 34 90 - 39 - 2.9/5198=2, 2.9/3884=2...(8) HB3 LYS 20 - HE2 LYS 43 OK 34 90 - 39 - 2.9/5198=2, 2.9/3884=2...(8) HB2 LYS 20 - HE2 LYS 73 OK 33 89 - 37 - 2.9/5198=2, 2.9/3884=2...(7) HB3 LYS 20 - HE2 LYS 73 OK 33 89 - 37 - 2.9/5198=2, 2.9/3884=2...(7) HB2 LYS 73 - HE2 LYS 43 OK 32 98 - 33 - 2.9/5197=3, 2.9/5171=3...(10) HB3 LYS 73 - HE2 LYS 43 OK 32 97 - 33 - 2.9/5197=3, 2.9/5171=3...(10) HB2 LYS 73 - HE3 LYS 43 OK 30 94 - 32 - 2.9/5171=3, 2.9/5197=3...(9) HB3 LYS 20 - HE3 LYS 73 OK 30 88 - 34 - 2.9/5198=2, 2.9/3884=2, ~5198=1 HB2 LYS 20 - HE3 LYS 73 OK 30 88 - 34 - 2.9/5198=2, 2.9/3884=2, ~5198=1 HB2 LYS 20 - HE3 LYS 43 OK 30 84 - 36 - 2.9/5198=2, 2.9/3884=2...(8) HB3 LYS 20 - HE3 LYS 43 OK 30 84 - 36 - 2.9/5198=2, 2.9/3884=2...(8) HB3 LYS 73 - HE3 LYS 43 OK 29 93 - 32 - 2.9/5171=3, 2.9/5197=3...(9) HB2 LYS 43 - HE2 LYS 73 OK 26 98 - 27 - 3.0/3848=2, 3.0/3885=1...(4) HB3 LYS 43 - HE2 LYS 73 OK 26 100 - 26 - 3.0/3848=2, 3.0/3885=1...(4) HB2 LYS 43 - HE3 LYS 73 OK 25 97 - 26 - 3.0/3848=2, 3.0/3885=1...(5) HB3 LYS 43 - HE3 LYS 73 OK 25 99 - 25 - 3.0/3848=2, 3.0/3885=1...(5) HB2 LYS 96 - HE2 LYS 73 OK 13 100 - 13 - HB2 LYS 96 - HE3 LYS 73 OK 13 99 - 13 - HB2 LYS 96 - HE2 LYS 43 OK 12 100 - 12 - HB2 LYS 20 - HE2 LYS 40 OK 12 60 - 20 - 2.9/3071=1 HB3 LYS 20 - HE2 LYS 40 OK 12 60 - 20 - 2.9/3071=1 HB3 LYS 43 - HE2 LYS 40 OK 11 73 - 16 - 3.0/3849=1, 8066/6.4=1 HB2 LYS 96 - HE3 LYS 43 OK 11 97 - 12 - HB3 LYS 44 - HE3 LYS 39 OK 11 99 - 11 - HB3 LYS 44 - HE2 LYS 39 OK 11 99 - 11 - HB2 LYS 43 - HE2 LYS 40 OK 11 69 - 16 - 3.0/3849=1, 8066/6.4=1 HB3 LYS 44 - HE2 LYS 43 OK 11 99 - 11 - HB2 LYS 44 - HE3 LYS 39 OK 11 92 - 12 - HB2 LYS 44 - HE2 LYS 39 OK 11 92 - 12 - HB2 LYS 44 - HE2 LYS 43 OK 11 92 - 12 - HB3 LYS 44 - HE3 LYS 43 OK 10 95 - 11 - HB2 LYS 44 - HE3 LYS 43 poor 10 87 - 12 - HB2 LYS 20 - HE3 LYS 40 poor 10 50 - 20 - 2.9/3071=1 HB3 LYS 20 - HE3 LYS 40 poor 10 50 - 20 - 2.9/3071=1 HB3 LYS 43 - HE3 LYS 40 poor 10 63 - 16 - 3.0/3849=1, 8066/6.4=1 HB2 LYS 43 - HE3 LYS 40 poor 10 59 - 16 - 3.0/3849=1, 8066/6.4=1 HB3 LYS 44 - HE2 LYS 73 lone 9 98 - 9 - HB3 LYS 44 - HE3 LYS 73 lone 9 98 - 9 - HB2 LYS 44 - HE2 LYS 73 lone 9 91 - 9 - HB2 LYS 44 - HE3 LYS 73 lone 9 90 - 9 - HB2 LYS 96 - HE2 LYS 39 lone 8 100 - 8 - HB2 LYS 96 - HE3 LYS 39 lone 8 100 - 8 - HB2 LYS 96 - HE2 LYS 40 lone 7 73 - 10 - 8066/6.4=1 HB2 LYS 73 - HE3 LYS 39 lone 7 98 - 7 - HB2 LYS 73 - HE2 LYS 39 lone 7 98 - 7 - HB3 LYS 73 - HE3 LYS 39 lone 7 97 - 7 - HB3 LYS 73 - HE2 LYS 39 lone 7 97 - 7 - HB2 LYS 73 - HE2 LYS 40 lone 6 69 - 9 - HB3 LYS 73 - HE2 LYS 40 lone 6 68 - 9 - HB2 LYS 43 - HE3 LYS 39 lone 6 98 - 6 - HB3 LYS 43 - HE3 LYS 39 lone 6 100 - 6 - HB2 LYS 96 - HE3 LYS 40 lone 6 63 - 9 - 8066/6.4=1 HB3 LYS 43 - HE2 LYS 39 lone 6 100 - 6 - HB2 LYS 43 - HE2 LYS 39 lone 6 98 - 6 - HB2 LYS 73 - HE3 LYS 40 lone 5 59 - 9 - HB3 LYS 73 - HE3 LYS 40 lone 5 58 - 9 - HB2 LYS 20 - HE3 LYS 39 lone 4 89 - 5 - HB3 LYS 20 - HE3 LYS 39 lone 4 89 - 5 - HB2 LYS 20 - HE2 LYS 39 lone 4 89 - 4 - HB3 LYS 20 - HE2 LYS 39 lone 4 89 - 4 - HB2 LEU 45 - HE2 LYS 73 lone 4 99 - 4 - HB2 LEU 45 - HE3 LYS 73 lone 4 99 - 4 - HB3 LYS 123 - HE3 LYS 39 lone 4 84 - 5 - HB3 LYS 123 - HE2 LYS 39 lone 4 84 - 5 - HB2 LEU 45 - HE2 LYS 43 lone 2 100 - 2 - HB2 ARG 95 - HE2 LYS 40 lone 2 71 - 3 - 7789/7.5=1 HB2 LEU 45 - HE3 LYS 43 lone 2 97 - 2 - HB ILE 71 - HE2 LYS 73 lone 2 98 - 2 - HB ILE 71 - HE3 LYS 73 lone 2 98 - 2 - HB2 ARG 95 - HE3 LYS 73 lone 2 98 - 2 - HB2 ARG 95 - HE2 LYS 73 lone 2 99 - 2 - HB2 ARG 95 - HE3 LYS 40 lone 2 61 - 3 - 7789/7.5=1 HG LEU 45 - HE2 LYS 73 lone 2 61 - 3 - HG LEU 45 - HE3 LYS 73 lone 2 60 - 3 - HB2 ARG 95 - HE3 LYS 43 lone 2 96 - 2 - HB2 ARG 95 - HE2 LYS 43 lone 2 99 - 2 - HB3 LYS 44 - HE2 LYS 40 lone 1 70 - 2 - HB2 LYS 44 - HE2 LYS 40 lone 1 62 - 2 - HB3 LYS 44 - HE3 LYS 40 lone 1 60 - 2 - HG LEU 45 - HE2 LYS 43 lone 1 61 - 2 - HB2 LYS 44 - HE3 LYS 40 lone 1 52 - 2 - HG LEU 45 - HE3 LYS 43 lone 1 57 - 2 - HB2 ARG 95 - HE2 LYS 39 lone 1 99 - 1 - HB3 LYS 123 - HE2 LYS 43 lone 1 84 - 1 - HB2 ARG 95 - HE3 LYS 39 lone 1 99 - 1 - HB3 LYS 123 - HE2 LYS 40 lone 1 55 - 1 - HB3 LYS 123 - HE3 LYS 43 lone 1 78 - 1 - HB3 LYS 123 - HE2 LYS 73 lone 1 83 - 1 - HB3 LYS 123 - HE3 LYS 73 lone 1 82 - 1 - HB3 LYS 123 - HE3 LYS 40 lone 1 46 - 1 - HB2 LEU 45 - HE2 LYS 39 lone 1 100 - 1 - HB2 LEU 45 - HE3 LYS 39 lone 1 100 - 1 - HB ILE 71 - HE3 LYS 39 lone 1 99 - 1 - HB ILE 71 - HE2 LYS 39 lone 1 99 - 1 - HB ILE 71 - HE2 LYS 43 lone 1 99 - 1 - HB2 LEU 81 - HE2 LYS 39 lone 1 65 - 1 - HB ILE 15 - HE2 LYS 73 lone 1 80 - 1 - HB2 LEU 81 - HE3 LYS 39 lone 1 65 - 1 - HB ILE 15 - HE3 LYS 73 lone 0 79 - 1 - HB ILE 71 - HE3 LYS 43 lone 0 95 - 1 - HB ILE 7 - HE2 LYS 39 lone 0 94 - 1 - HB ILE 7 - HE3 LYS 39 lone 0 94 - 1 - HB2 LYS 49 - HE2 LYS 39 lone 0 100 - 0 - HB2 LYS 49 - HE3 LYS 39 lone 0 100 - 0 - HB2 LYS 49 - HE2 LYS 73 lone 0 100 - 0 - HB2 LYS 49 - HE2 LYS 43 lone 0 100 - 0 - HB2 LYS 49 - HE3 LYS 73 lone 0 99 - 0 - HB2 LYS 49 - HE3 LYS 43 lone 0 97 - 0 - HB2 GLU 128 - HE2 LYS 39 lone 0 100 - 0 - HB2 GLU 128 - HE3 LYS 39 lone 0 100 - 0 - HB ILE 7 - HE2 LYS 43 lone 0 94 - 0 - HB2 GLU 128 - HE3 LYS 73 lone 0 99 - 0 - HB2 GLU 128 - HE2 LYS 73 lone 0 100 - 0 - HB ILE 7 - HE2 LYS 73 lone 0 93 - 0 - HB2 LEU 45 - HE2 LYS 40 lone 0 72 - 1 - HB ILE 7 - HE3 LYS 73 lone 0 92 - 0 - HB ILE 7 - HE3 LYS 43 lone 0 89 - 0 - HB2 GLU 128 - HE2 LYS 43 lone 0 100 - 0 - HB2 GLU 128 - HE3 LYS 43 lone 0 97 - 0 - HB2 GLU 128 - HE2 LYS 40 lone 0 73 - 0 - HB2 LEU 45 - HE3 LYS 40 lone 0 62 - 1 - HG LEU 45 - HE3 LYS 39 lone 0 61 - 1 - HG LEU 45 - HE2 LYS 39 lone 0 61 - 1 - HB2 GLU 128 - HE3 LYS 40 lone 0 63 - 0 - HB ILE 71 - HE2 LYS 40 lone 0 70 - 0 - HB2 LYS 49 - HE2 LYS 40 lone 0 73 - 0 - HB ILE 15 - HE2 LYS 43 lone 0 81 - 0 - HB ILE 15 - HE2 LYS 39 lone 0 80 - 0 - HB ILE 15 - HE3 LYS 39 lone 0 80 - 0 - HB ILE 15 - HE3 LYS 43 lone 0 75 - 0 - HB ILE 71 - HE3 LYS 40 lone 0 60 - 0 - HB2 LEU 81 - HE2 LYS 43 lone 0 65 - 0 - HB ILE 7 - HE2 LYS 40 lone 0 64 - 0 - HG2 MET 121 - HE2 LYS 39 lone 0 73 - 0 - HG2 MET 121 - HE3 LYS 39 lone 0 73 - 0 - HG2 MET 121 - HE2 LYS 43 lone 0 73 - 0 - HB2 LYS 49 - HE3 LYS 40 lone 0 62 - 0 - HB2 LEU 81 - HE3 LYS 73 lone 0 64 - 0 - HB2 LEU 81 - HE3 LYS 43 lone 0 61 - 0 - HG2 MET 121 - HE2 LYS 73 lone 0 73 - 0 - HB2 LEU 81 - HE2 LYS 73 lone 0 65 - 0 - HG2 MET 121 - HE3 LYS 73 lone 0 71 - 0 - HG2 MET 121 - HE3 LYS 43 lone 0 68 - 0 - HB ILE 15 - HE2 LYS 40 lone 0 52 - 0 - HB ILE 7 - HE3 LYS 40 lone 0 54 - 0 - HG LEU 45 - HE2 LYS 40 lone 0 38 - 0 - HB ILE 15 - HE3 LYS 40 lone 0 44 - 0 - HG2 MET 121 - HE2 LYS 40 lone 0 46 - 0 - HG LEU 45 - HE3 LYS 40 lone 0 31 - 0 - HB2 LEU 81 - HE2 LYS 40 lone 0 41 - 0 - HG2 MET 121 - HE3 LYS 40 lone 0 39 - 0 - HB2 LEU 81 - HE3 LYS 40 lone 0 34 - 0 - Peak 3884 from cnoeabs.peaks (1.51, 2.98, 41.78 ppm; 3.00 A): 2 out of 88 assignments used, quality = 0.95: * HG2 LYS 43 + HE2 LYS 43 OK 80 100 - 80 - 3.9=45, 3846/3.0=8...(21) HG2 LYS 43 + HE3 LYS 43 OK 77 97 - 79 - 3.9=45, 3846/3.0=8...(21) HG2 LYS 20 - HE2 LYS 43 OK 28 97 - 29 - 3071/1.8=3, 3069/3.0=2...(8) HG2 LYS 20 - HE3 LYS 43 OK 26 93 - 29 - 3070/1.8=2, 3069/3.0=2...(8) HG2 LYS 20 - HE2 LYS 73 OK 24 96 - 25 - 3071/1.8=2, 3068/2.9=2...(7) HG2 LYS 20 - HE3 LYS 73 OK 23 96 - 24 - 3068/2.9=2, 3069/2.9=2...(7) HG2 LYS 43 - HE2 LYS 73 OK 23 100 - 23 - 3848=2, 3848/1.8=2...(5) HG2 LYS 43 - HE3 LYS 73 OK 21 99 - 22 - 3848=2, 3848/1.8=2...(5) HG2 LYS 43 - HE2 LYS 40 OK 11 73 - 15 - 3849=1, 3849/1.8=1 HG2 LYS 43 - HE3 LYS 40 poor 9 63 - 15 - 3849=1, 3849/1.8=1 HG2 LYS 20 - HE2 LYS 40 poor 9 68 - 14 - 3070/1.8=2, 3071=1...(5) HG LEU 38 - HE2 LYS 39 lone 8 95 - 9 - 9376/6.6=4, 3540/3.6=3 HG LEU 38 - HE3 LYS 39 lone 8 95 - 9 - 9376/6.6=4, 3540/3.6=3 HG2 LYS 20 - HE3 LYS 40 poor 8 58 - 14 - 3070/1.8=2, 3071=1, 1.8/3081=1 HG2 LYS 43 - HE3 LYS 39 lone 5 100 - 5 - HG2 LYS 43 - HE2 LYS 39 lone 5 100 - 5 - HG2 LYS 20 - HE3 LYS 39 lone 3 97 - 3 - HG2 LYS 20 - HE2 LYS 39 lone 3 97 - 3 - QB ALA 124 - HE2 LYS 43 lone 1 94 - 1 - QB ALA 124 - HE3 LYS 43 lone 1 89 - 1 - QB ALA 124 - HE2 LYS 73 lone 1 93 - 1 - QB ALA 124 - HE3 LYS 73 lone 1 92 - 1 - HG LEU 38 - HE2 LYS 43 lone 1 96 - 1 - HG LEU 38 - HE3 LYS 43 lone 1 91 - 1 - HD3 LYS 17 - HE2 LYS 43 lone 1 99 - 1 - HB2 LEU 6 - HE2 LYS 43 lone 1 99 - 1 - HB2 LEU 6 - HE3 LYS 43 lone 1 95 - 1 - HD3 LYS 17 - HE3 LYS 43 lone 1 96 - 1 - HB3 LEU 14 - HE2 LYS 43 lone 1 77 - 1 - HG LEU 38 - HE2 LYS 40 lone 1 66 - 1 - HG LEU 6 - HE3 LYS 39 lone 1 97 - 1 - HG LEU 6 - HE2 LYS 39 lone 1 97 - 1 - HB3 LEU 14 - HE3 LYS 43 lone 1 72 - 1 - HB2 LEU 6 - HE2 LYS 73 lone 1 98 - 1 - HB2 LEU 6 - HE3 LYS 73 lone 1 98 - 1 - HG LEU 38 - HE2 LYS 73 lone 0 95 - 0 - HG LEU 6 - HE2 LYS 43 lone 0 97 - 0 - HG LEU 38 - HE3 LYS 73 lone 0 94 - 0 - HD3 LYS 17 - HE2 LYS 40 lone 0 71 - 1 - HD3 LYS 17 - HE2 LYS 73 lone 0 99 - 0 - HG LEU 6 - HE3 LYS 43 lone 0 93 - 0 - HD3 LYS 17 - HE3 LYS 73 lone 0 98 - 0 - HG LEU 38 - HE3 LYS 40 lone 0 56 - 1 - HB2 LEU 6 - HE3 LYS 39 lone 0 99 - 0 - HB2 LEU 6 - HE2 LYS 39 lone 0 99 - 0 - HD3 LYS 17 - HE3 LYS 40 lone 0 61 - 1 - HB3 ARG 30 - HE2 LYS 43 lone 0 100 - 0 - HB2 LYS 61 - HE2 LYS 43 lone 0 99 - 0 - HB3 ARG 30 - HE3 LYS 43 lone 0 97 - 0 - HD3 LYS 17 - HE3 LYS 39 lone 0 99 - 0 - HD3 LYS 17 - HE2 LYS 39 lone 0 99 - 0 - HG LEU 6 - HE2 LYS 73 lone 0 96 - 0 - HG LEU 6 - HE3 LYS 73 lone 0 96 - 0 - HB2 LYS 61 - HE3 LYS 43 lone 0 96 - 0 - HB3 LEU 14 - HE3 LYS 39 lone 0 77 - 0 - HB3 LEU 14 - HE2 LYS 39 lone 0 77 - 0 - HB3 ARG 30 - HE2 LYS 73 lone 0 100 - 0 - HB3 ARG 30 - HE3 LYS 73 lone 0 99 - 0 - HB3 ARG 30 - HE3 LYS 39 lone 0 100 - 0 - HB3 ARG 30 - HE2 LYS 39 lone 0 100 - 0 - HB2 LYS 61 - HE2 LYS 73 lone 0 99 - 0 - HB2 LYS 61 - HE3 LYS 73 lone 0 98 - 0 - HB2 LYS 61 - HE2 LYS 39 lone 0 99 - 0 - HB2 LYS 61 - HE3 LYS 39 lone 0 99 - 0 - HB3 LEU 14 - HE2 LYS 73 lone 0 76 - 0 - QB ALA 124 - HE3 LYS 39 lone 0 94 - 0 - QB ALA 124 - HE2 LYS 39 lone 0 94 - 0 - HB3 LEU 14 - HE3 LYS 73 lone 0 75 - 0 - HG2 ARG 30 - HE2 LYS 43 lone 0 73 - 0 - HG2 ARG 30 - HE3 LYS 43 lone 0 68 - 0 - HB2 LEU 6 - HE2 LYS 40 lone 0 70 - 0 - HG2 ARG 30 - HE2 LYS 73 lone 0 73 - 0 - HG2 ARG 30 - HE3 LYS 73 lone 0 71 - 0 - HG2 ARG 30 - HE3 LYS 39 lone 0 73 - 0 - HG2 ARG 30 - HE2 LYS 39 lone 0 73 - 0 - HB3 ARG 30 - HE2 LYS 40 lone 0 73 - 0 - HB2 LEU 6 - HE3 LYS 40 lone 0 60 - 0 - HB2 LYS 61 - HE2 LYS 40 lone 0 71 - 0 - HG LEU 6 - HE2 LYS 40 lone 0 68 - 0 - QB ALA 124 - HE2 LYS 40 lone 0 64 - 0 - HB3 ARG 30 - HE3 LYS 40 lone 0 63 - 0 - HB2 LYS 61 - HE3 LYS 40 lone 0 61 - 0 - HB3 LEU 14 - HE2 LYS 40 lone 0 49 - 0 - HG LEU 6 - HE3 LYS 40 lone 0 58 - 0 - QB ALA 124 - HE3 LYS 40 lone 0 54 - 0 - HB3 LEU 14 - HE3 LYS 40 lone 0 41 - 0 - HG2 ARG 30 - HE2 LYS 40 lone 0 46 - 0 - HG2 ARG 30 - HE3 LYS 40 lone 0 39 - 0 - Peak 3885 from cnoeabs.peaks (1.37, 2.98, 41.78 ppm; 2.97 A): 3 out of 56 assignments used, quality = 0.97: * HG3 LYS 43 + HE2 LYS 43 OK 77 100 - 77 - 3.9=44, 1.8/3884=7...(21) HG3 LYS 43 + HE3 LYS 43 OK 73 97 - 75 - 3.9=44, 1.8/3884=6...(19) HG2 LYS 40 + HE2 LYS 40 OK 51 64 - 80 - 3.9=43, 3712/3.0=5...(39) HG2 LYS 40 - HE3 LYS 40 OK 44 54 - 81 - 3.9=43, 3712/3.0=5...(40) HG2 LYS 40 - HE2 LYS 43 OK 24 94 - 26 - 1.8/3696=2, ~3696=1...(9) HG2 LYS 40 - HE3 LYS 43 OK 22 89 - 25 - 1.8/3696=2, ~3696=1...(8) HG3 LYS 43 - HE2 LYS 73 OK 21 100 - 21 - 1.8/3848=2, 3858=1...(6) HG3 LYS 43 - HE3 LYS 73 OK 20 99 - 20 - 1.8/3848=2, ~3848=1...(6) HG2 LYS 40 - HE2 LYS 73 OK 15 93 - 15 - 1.8/3696=1 HG2 LYS 40 - HE3 LYS 73 OK 13 92 - 14 - 1.8/3696=1 HG2 LYS 40 - HE3 LYS 39 OK 11 94 - 12 - HG2 LYS 40 - HE2 LYS 39 OK 11 94 - 12 - HG3 LYS 43 - HE2 LYS 40 OK 10 73 - 14 - 1.8/3849=1 HG3 LYS 43 - HE3 LYS 40 poor 9 63 - 14 - 1.8/3849=1 HG3 LYS 43 - HE3 LYS 39 lone 4 100 - 4 - HG3 LYS 43 - HE2 LYS 39 lone 4 100 - 4 - HG2 LYS 94 - HE2 LYS 43 lone 2 100 - 2 - HG2 LYS 94 - HE3 LYS 43 lone 2 97 - 2 - HB3 LEU 68 - HE2 LYS 73 lone 1 89 - 1 - HB3 LEU 68 - HE3 LYS 73 lone 1 88 - 1 - HG LEU 14 - HE2 LYS 43 lone 1 96 - 1 - HB3 LEU 68 - HE2 LYS 43 lone 1 90 - 1 - HB3 LEU 81 - HE3 LYS 39 lone 1 80 - 1 - HB3 LEU 81 - HE2 LYS 39 lone 1 80 - 1 - HG LEU 14 - HE3 LYS 43 lone 1 91 - 1 - HB3 LEU 68 - HE3 LYS 43 lone 1 84 - 1 - HG2 LYS 94 - HE2 LYS 40 lone 0 73 - 1 - HG2 LYS 94 - HE2 LYS 73 lone 0 100 - 0 - HG2 LYS 94 - HE3 LYS 73 lone 0 99 - 0 - HG2 LYS 94 - HE3 LYS 40 lone 0 63 - 1 - HG2 LYS 94 - HE2 LYS 39 lone 0 100 - 0 - HG2 LYS 94 - HE3 LYS 39 lone 0 100 - 0 - HB3 LEU 68 - HE3 LYS 39 lone 0 89 - 0 - HB3 LEU 68 - HE2 LYS 39 lone 0 89 - 0 - HG LEU 14 - HE2 LYS 73 lone 0 95 - 0 - HG LEU 14 - HE3 LYS 73 lone 0 94 - 0 - HG LEU 14 - HE3 LYS 39 lone 0 95 - 0 - HG LEU 14 - HE2 LYS 39 lone 0 95 - 0 - HG2 LYS 77 - HE3 LYS 39 lone 0 77 - 0 - HG2 LYS 77 - HE2 LYS 39 lone 0 77 - 0 - HB3 LEU 81 - HE2 LYS 43 lone 0 81 - 0 - HB3 LEU 68 - HE2 LYS 40 lone 0 60 - 0 - HB3 LEU 81 - HE3 LYS 43 lone 0 75 - 0 - HG2 LYS 77 - HE2 LYS 43 lone 0 77 - 0 - HB3 LEU 81 - HE3 LYS 73 lone 0 79 - 0 - HB3 LEU 81 - HE2 LYS 73 lone 0 80 - 0 - HG LEU 14 - HE2 LYS 40 lone 0 66 - 0 - HG2 LYS 77 - HE3 LYS 43 lone 0 72 - 0 - HB3 LEU 68 - HE3 LYS 40 lone 0 50 - 0 - HG2 LYS 77 - HE2 LYS 73 lone 0 76 - 0 - HG2 LYS 77 - HE3 LYS 73 lone 0 75 - 0 - HG LEU 14 - HE3 LYS 40 lone 0 56 - 0 - HG2 LYS 77 - HE2 LYS 40 lone 0 49 - 0 - HB3 LEU 81 - HE2 LYS 40 lone 0 52 - 0 - HG2 LYS 77 - HE3 LYS 40 lone 0 41 - 0 - HB3 LEU 81 - HE3 LYS 40 lone 0 44 - 0 - Peak 3886 from cnoeabs.peaks (1.68, 2.98, 41.78 ppm; 2.40 A): 10 out of 144 assignments used, quality = 1.00: HD3 LYS 73 + HE2 LYS 73 OK 70 98 - 71 - 2.9=56, 3.0/5197=4...(14) HD2 LYS 73 + HE2 LYS 73 OK 69 98 - 71 - 2.9=56, 3.0/5197=4...(14) HD3 LYS 73 + HE3 LYS 73 OK 69 98 - 70 - 2.9=56, 3.0/5197=4...(14) HD2 LYS 73 + HE3 LYS 73 OK 68 97 - 70 - 2.9=56, 3.0/5197=4...(14) * HD2 LYS 43 + HE2 LYS 43 OK 68 100 - 68 - 3.0=52, 3846/3.9=3...(11) HD3 LYS 43 + HE2 LYS 43 OK 67 99 - 68 - 3.0=52, 3846/3.9=3...(11) HD2 LYS 43 + HE3 LYS 43 OK 65 97 - 67 - 3.0=52, 3846/3.9=3...(11) HD3 LYS 43 + HE3 LYS 43 OK 64 95 - 67 - 3.0=52, 3846/3.9=3...(11) HD3 LYS 40 + HE2 LYS 40 OK 51 73 - 70 - 3.0=53, 3717/1.8=4...(18) HD2 LYS 40 + HE2 LYS 40 OK 51 72 - 70 - 3.0=53, 3717/1.8=4...(18) HD3 LYS 40 - HE3 LYS 40 OK 44 62 - 70 - 3.0=53, 3717/1.8=4...(18) HD2 LYS 40 - HE3 LYS 40 OK 43 62 - 70 - 3.0=53, 3717/1.8=4...(18) HD3 LYS 20 - HE2 LYS 43 OK 16 96 - 17 - 3.0/5198=1, 3.0/3884=1 HD2 LYS 20 - HE2 LYS 43 OK 16 94 - 17 - 3.0/5198=1, 3.0/3884=1 HD3 LYS 20 - HE2 LYS 73 OK 15 95 - 16 - 3.0/5198=1 HD2 LYS 20 - HE2 LYS 73 OK 15 93 - 16 - 3.0/5198=1 HD3 LYS 20 - HE3 LYS 43 OK 14 91 - 16 - HD3 LYS 20 - HE3 LYS 73 OK 14 94 - 15 - HD2 LYS 20 - HE3 LYS 43 OK 14 89 - 16 - HD2 LYS 20 - HE3 LYS 73 OK 14 92 - 15 - HD3 LYS 73 - HE2 LYS 43 OK 13 99 - 13 - 3.0/5197=1, 3.0/5171=1 HD2 LYS 73 - HE2 LYS 43 OK 13 98 - 13 - 3.0/5197=1, 3.0/5171=1 HD3 LYS 73 - HE3 LYS 43 OK 12 95 - 13 - 3.0/5197=1, 3.0/5171=1 HD2 LYS 73 - HE3 LYS 43 OK 12 94 - 13 - 3.0/5197=1, 3.0/5171=1 HD3 LYS 40 - HE2 LYS 43 OK 11 100 - 11 - HD2 LYS 40 - HE2 LYS 43 OK 11 100 - 11 - HD2 LYS 43 - HE2 LYS 73 OK 11 100 - 11 - HD3 LYS 43 - HE2 LYS 73 OK 11 98 - 11 - HD3 LYS 40 - HE3 LYS 43 OK 10 97 - 11 - HD2 LYS 40 - HE3 LYS 43 OK 10 97 - 11 - HD2 LYS 43 - HE3 LYS 73 OK 10 99 - 10 - HD3 LYS 43 - HE3 LYS 73 poor 10 98 - 10 - HD2 LYS 16 - HE2 LYS 40 poor 9 68 - 13 - 3695/3.9=1 HD3 LYS 16 - HE2 LYS 40 poor 8 62 - 13 - 3694/3.9=1 HD2 LYS 16 - HE3 LYS 40 poor 7 58 - 12 - 3695/3.9=1 HD3 LYS 40 - HE2 LYS 73 lone 7 100 - 7 - HD2 LYS 40 - HE2 LYS 73 lone 7 99 - 7 - HD3 LYS 40 - HE3 LYS 73 lone 6 99 - 6 - HD2 LYS 40 - HE3 LYS 73 lone 6 99 - 6 - HD3 LYS 16 - HE3 LYS 40 poor 6 52 - 12 - 3694/3.9=1 HD2 LYS 96 - HE2 LYS 73 lone 6 100 - 6 - HD3 LYS 96 - HE2 LYS 73 lone 6 99 - 6 - HD2 LYS 96 - HE3 LYS 73 lone 6 99 - 6 - HD3 LYS 96 - HE3 LYS 73 lone 6 98 - 6 - HD2 LYS 43 - HE2 LYS 40 lone 6 73 - 8 - HD3 LYS 20 - HE2 LYS 40 lone 6 66 - 9 - HD2 LYS 20 - HE2 LYS 40 lone 6 64 - 9 - HD3 LYS 43 - HE2 LYS 40 lone 6 70 - 8 - HD2 LYS 96 - HE2 LYS 43 lone 5 100 - 5 - HD3 LYS 96 - HE2 LYS 43 lone 5 99 - 5 - HD2 LYS 96 - HE3 LYS 43 lone 5 97 - 5 - HD3 LYS 20 - HE3 LYS 40 lone 5 56 - 9 - HD3 LYS 40 - HE3 LYS 39 lone 5 100 - 5 - HD2 LYS 40 - HE3 LYS 39 lone 5 100 - 5 - HD2 LYS 43 - HE3 LYS 40 lone 5 63 - 8 - HD3 LYS 96 - HE3 LYS 43 lone 5 96 - 5 - HD3 LYS 40 - HE2 LYS 39 lone 5 100 - 5 - HD2 LYS 40 - HE2 LYS 39 lone 5 100 - 5 - HD2 LYS 20 - HE3 LYS 40 lone 5 54 - 9 - HD3 LYS 43 - HE3 LYS 40 lone 5 60 - 8 - HD3 LYS 73 - HE2 LYS 40 lone 3 70 - 4 - HD2 LYS 73 - HE2 LYS 40 lone 3 69 - 4 - HD3 LYS 73 - HE3 LYS 39 lone 3 99 - 3 - HD3 LYS 73 - HE2 LYS 39 lone 3 99 - 3 - HD2 LYS 73 - HE3 LYS 39 lone 3 98 - 3 - HD2 LYS 73 - HE2 LYS 39 lone 3 98 - 3 - HD2 LYS 96 - HE2 LYS 40 lone 3 73 - 4 - HD3 LYS 73 - HE3 LYS 40 lone 3 60 - 4 - HD3 LYS 96 - HE2 LYS 40 lone 3 71 - 4 - HD2 LYS 73 - HE3 LYS 40 lone 3 59 - 4 - HD2 LYS 96 - HE3 LYS 39 lone 3 100 - 3 - HD2 LYS 96 - HE2 LYS 39 lone 2 100 - 2 - HD3 LYS 96 - HE3 LYS 39 lone 2 99 - 3 - HD3 LYS 96 - HE2 LYS 39 lone 2 99 - 2 - HD2 LYS 43 - HE3 LYS 39 lone 2 100 - 2 - HD2 LYS 43 - HE2 LYS 39 lone 2 100 - 2 - HD3 LYS 43 - HE3 LYS 39 lone 2 99 - 2 - HD2 LYS 96 - HE3 LYS 40 lone 2 62 - 4 - HD3 LYS 43 - HE2 LYS 39 lone 2 99 - 2 - HD3 LYS 96 - HE3 LYS 40 lone 2 61 - 3 - HD3 LYS 20 - HE3 LYS 39 lone 2 95 - 2 - HD2 LYS 20 - HE3 LYS 39 lone 2 94 - 2 - HD3 LYS 20 - HE2 LYS 39 lone 2 95 - 2 - HD2 LYS 20 - HE2 LYS 39 lone 2 94 - 2 - HD2 LYS 16 - HE2 LYS 73 lone 1 96 - 1 - HD2 LYS 16 - HE3 LYS 73 lone 1 96 - 1 - HD3 LYS 16 - HE2 LYS 73 lone 1 91 - 1 - HD3 LYS 16 - HE3 LYS 73 lone 1 90 - 1 - HD2 LYS 16 - HE2 LYS 43 lone 1 97 - 1 - HD3 LYS 16 - HE2 LYS 43 lone 1 92 - 1 - HD2 LYS 16 - HE3 LYS 43 lone 1 93 - 1 - HG3 ARG 95 - HE2 LYS 73 lone 1 99 - 1 - HG3 ARG 95 - HE3 LYS 73 lone 1 99 - 1 - HG3 ARG 95 - HE2 LYS 43 lone 1 100 - 1 - HD3 LYS 16 - HE3 LYS 43 lone 1 87 - 1 - HG3 ARG 95 - HE3 LYS 43 lone 1 97 - 1 - HD2 LYS 17 - HE2 LYS 40 lone 1 73 - 1 - HG3 ARG 95 - HE2 LYS 40 lone 1 72 - 1 - HD2 LYS 17 - HE3 LYS 40 lone 1 62 - 1 - HD2 LYS 16 - HE3 LYS 39 lone 1 97 - 1 - HD2 LYS 16 - HE2 LYS 39 lone 1 97 - 1 - HG3 ARG 95 - HE3 LYS 40 lone 1 62 - 1 - HD2 LYS 17 - HE2 LYS 43 lone 1 100 - 0 - HD3 LYS 16 - HE3 LYS 39 lone 1 92 - 1 - HD3 LYS 16 - HE2 LYS 39 lone 1 92 - 1 - HG12 ILE 71 - HE2 LYS 73 lone 1 76 - 1 - HG12 ILE 71 - HE3 LYS 73 lone 1 75 - 1 - HD2 LYS 17 - HE3 LYS 43 lone 0 97 - 0 - HD2 LYS 17 - HE2 LYS 73 lone 0 100 - 0 - HD2 LYS 17 - HE3 LYS 73 lone 0 99 - 0 - HG3 ARG 95 - HE2 LYS 39 lone 0 100 - 0 - HG3 ARG 95 - HE3 LYS 39 lone 0 100 - 0 - HD2 LYS 17 - HE2 LYS 39 lone 0 100 - 0 - HD2 LYS 17 - HE3 LYS 39 lone 0 100 - 0 - HB ILE 54 - HE2 LYS 73 lone 0 99 - 0 - HB ILE 54 - HE3 LYS 73 lone 0 99 - 0 - HB ILE 56 - HE2 LYS 43 lone 0 92 - 0 - HB ILE 54 - HE2 LYS 39 lone 0 100 - 0 - HB ILE 54 - HE3 LYS 39 lone 0 100 - 0 - HB ILE 54 - HE2 LYS 43 lone 0 100 - 0 - HG12 ILE 71 - HE2 LYS 43 lone 0 77 - 0 - HB ILE 56 - HE3 LYS 43 lone 0 87 - 0 - HB ILE 54 - HE3 LYS 43 lone 0 97 - 0 - HB ILE 56 - HE2 LYS 73 lone 0 91 - 0 - HB ILE 56 - HE3 LYS 73 lone 0 90 - 0 - HB ILE 54 - HE2 LYS 40 lone 0 72 - 0 - HG12 ILE 71 - HE3 LYS 43 lone 0 72 - 0 - HG12 ILE 71 - HE3 LYS 39 lone 0 77 - 0 - HG12 ILE 71 - HE2 LYS 39 lone 0 77 - 0 - HB ILE 56 - HE2 LYS 39 lone 0 92 - 0 - HB ILE 56 - HE3 LYS 39 lone 0 92 - 0 - HB ILE 54 - HE3 LYS 40 lone 0 62 - 0 - HD3 LYS 115 - HE2 LYS 43 lone 0 61 - 0 - HD3 LYS 115 - HE3 LYS 39 lone 0 61 - 0 - HD3 LYS 115 - HE2 LYS 39 lone 0 61 - 0 - HD3 LYS 115 - HE2 LYS 73 lone 0 61 - 0 - HD3 LYS 115 - HE3 LYS 73 lone 0 60 - 0 - HD3 LYS 115 - HE3 LYS 43 lone 0 57 - 0 - HB ILE 56 - HE2 LYS 40 lone 0 62 - 0 - HD3 LYS 115 - HE2 LYS 40 lone 0 38 - 0 - HG12 ILE 71 - HE2 LYS 40 lone 0 49 - 0 - HB ILE 56 - HE3 LYS 40 lone 0 52 - 0 - HG12 ILE 71 - HE3 LYS 40 lone 0 41 - 0 - HD3 LYS 115 - HE3 LYS 40 lone 0 31 - 0 - Peak 3887 from cnoeabs.peaks (1.68, 2.98, 41.78 ppm; 2.40 A): 10 out of 168 assignments used, quality = 1.00: HD3 LYS 73 + HE2 LYS 73 OK 71 100 - 71 - 2.9=56, 3.0/5197=4...(14) HD2 LYS 73 + HE2 LYS 73 OK 71 100 - 71 - 2.9=56, 3.0/5197=4...(14) HD3 LYS 73 + HE3 LYS 73 OK 70 99 - 70 - 2.9=56, 3.0/5197=4...(14) HD2 LYS 73 + HE3 LYS 73 OK 70 99 - 70 - 2.9=56, 3.0/5197=4...(14) * HD3 LYS 43 + HE2 LYS 43 OK 68 100 - 68 - 3.0=52, 3846/3.9=3...(11) HD2 LYS 43 + HE2 LYS 43 OK 67 99 - 68 - 3.0=52, 3846/3.9=3...(11) HD3 LYS 43 + HE3 LYS 43 OK 65 97 - 67 - 3.0=52, 3846/3.9=3...(11) HD2 LYS 43 + HE3 LYS 43 OK 64 95 - 67 - 3.0=52, 3846/3.9=3...(11) HD2 LYS 40 + HE2 LYS 40 OK 51 73 - 70 - 3.0=53, 3717/1.8=4...(18) HD3 LYS 40 + HE2 LYS 40 OK 51 72 - 70 - 3.0=53, 3717/1.8=4...(18) HD2 LYS 40 - HE3 LYS 40 OK 44 62 - 70 - 3.0=53, 3717/1.8=4...(18) HD3 LYS 40 - HE3 LYS 40 OK 43 62 - 70 - 3.0=53, 3717/1.8=4...(18) HG3 LYS 39 - HE3 LYS 39 OK 43 77 - 56 - 3.6=30, 1.8/3642=5...(16) HG3 LYS 39 - HE2 LYS 39 OK 43 77 - 56 - 3.6=30, 1.8/3642=5...(16) HD3 LYS 20 - HE2 LYS 43 OK 17 100 - 17 - 3.0/5198=1, 3.0/3884=1 HD2 LYS 20 - HE2 LYS 43 OK 17 99 - 17 - 3.0/5198=1, 3.0/3884=1 HD3 LYS 20 - HE2 LYS 73 OK 16 99 - 16 - 3.0/5198=1 HD2 LYS 20 - HE2 LYS 73 OK 16 99 - 16 - 3.0/5198=1 HD3 LYS 20 - HE3 LYS 43 OK 15 97 - 16 - HD2 LYS 20 - HE3 LYS 43 OK 15 96 - 16 - HD3 LYS 20 - HE3 LYS 73 OK 15 99 - 15 - HD2 LYS 20 - HE3 LYS 73 OK 15 98 - 15 - HD3 LYS 73 - HE2 LYS 43 OK 13 100 - 13 - 3.0/5197=1, 3.0/5171=1 HD2 LYS 73 - HE2 LYS 43 OK 13 100 - 13 - 3.0/5197=1, 3.0/5171=1 HD3 LYS 73 - HE3 LYS 43 OK 12 97 - 13 - 3.0/5197=1, 3.0/5171=1 HD2 LYS 73 - HE3 LYS 43 OK 12 97 - 13 - 3.0/5197=1, 3.0/5171=1 HD2 LYS 40 - HE2 LYS 43 OK 11 100 - 11 - HD3 LYS 40 - HE2 LYS 43 OK 11 100 - 11 - HD3 LYS 43 - HE2 LYS 73 OK 11 100 - 11 - HD2 LYS 43 - HE2 LYS 73 OK 11 98 - 11 - HD2 LYS 40 - HE3 LYS 43 OK 10 97 - 11 - HD3 LYS 40 - HE3 LYS 43 OK 10 97 - 11 - HD3 LYS 43 - HE3 LYS 73 OK 10 99 - 10 - HD2 LYS 43 - HE3 LYS 73 poor 10 98 - 10 - HD2 LYS 16 - HE2 LYS 40 poor 9 73 - 13 - 3694/3.9=1 HD3 LYS 16 - HE2 LYS 40 poor 9 70 - 13 - 3694/3.9=1 HD2 LYS 16 - HE3 LYS 40 poor 8 62 - 12 - 3694/3.9=1 HD3 LYS 16 - HE3 LYS 40 poor 7 60 - 12 - 3694/3.9=1 HD2 LYS 40 - HE2 LYS 73 lone 7 100 - 7 - HD3 LYS 40 - HE2 LYS 73 lone 7 99 - 7 - HD3 LYS 20 - HE2 LYS 40 lone 6 72 - 9 - HD2 LYS 40 - HE3 LYS 73 lone 6 99 - 6 - HD2 LYS 20 - HE2 LYS 40 lone 6 71 - 9 - HD3 LYS 40 - HE3 LYS 73 lone 6 99 - 6 - HD3 LYS 96 - HE2 LYS 73 lone 6 100 - 6 - HD2 LYS 96 - HE2 LYS 73 lone 6 99 - 6 - HD3 LYS 96 - HE3 LYS 73 lone 6 99 - 6 - HD2 LYS 96 - HE3 LYS 73 lone 6 99 - 6 - HD3 LYS 43 - HE2 LYS 40 lone 6 73 - 8 - HD2 LYS 43 - HE2 LYS 40 lone 6 70 - 8 - HD3 LYS 20 - HE3 LYS 40 lone 6 62 - 9 - HD2 LYS 20 - HE3 LYS 40 lone 6 61 - 9 - HD2 LYS 96 - HE2 LYS 43 lone 5 100 - 5 - HD3 LYS 96 - HE2 LYS 43 lone 5 100 - 5 - HD3 LYS 96 - HE3 LYS 43 lone 5 97 - 5 - HD2 LYS 96 - HE3 LYS 43 lone 5 97 - 5 - HD2 LYS 40 - HE3 LYS 39 lone 5 100 - 5 - HD3 LYS 40 - HE3 LYS 39 lone 5 100 - 5 - HD3 LYS 43 - HE3 LYS 40 lone 5 63 - 8 - HD2 LYS 40 - HE2 LYS 39 lone 5 100 - 5 - HD3 LYS 40 - HE2 LYS 39 lone 5 100 - 5 - HD2 LYS 43 - HE3 LYS 40 lone 5 60 - 8 - HD3 LYS 73 - HE2 LYS 40 lone 3 73 - 4 - HD2 LYS 73 - HE2 LYS 40 lone 3 73 - 4 - HG3 LYS 39 - HE2 LYS 43 lone 3 77 - 4 - HD2 LYS 73 - HE3 LYS 39 lone 3 100 - 3 - HD2 LYS 73 - HE2 LYS 39 lone 3 100 - 3 - HD3 LYS 73 - HE3 LYS 39 lone 3 100 - 3 - HD3 LYS 73 - HE2 LYS 39 lone 3 100 - 3 - HD3 LYS 73 - HE3 LYS 40 lone 3 63 - 4 - HD2 LYS 73 - HE3 LYS 40 lone 3 63 - 4 - HD2 LYS 44 - HE3 LYS 39 lone 3 69 - 4 - HD2 LYS 44 - HE2 LYS 39 lone 3 69 - 4 - HD3 LYS 96 - HE2 LYS 40 lone 3 73 - 4 - HD2 LYS 96 - HE2 LYS 40 lone 3 72 - 4 - HG3 LYS 39 - HE3 LYS 43 lone 3 72 - 4 - HD3 LYS 96 - HE3 LYS 39 lone 3 100 - 3 - HD2 LYS 96 - HE3 LYS 39 lone 3 100 - 3 - HD3 LYS 96 - HE2 LYS 39 lone 2 100 - 2 - HD2 LYS 96 - HE2 LYS 39 lone 2 100 - 2 - HD3 LYS 44 - HE3 LYS 39 lone 2 61 - 4 - HD3 LYS 44 - HE2 LYS 39 lone 2 61 - 4 - HD2 LYS 44 - HE2 LYS 43 lone 2 70 - 3 - HG3 LYS 39 - HE2 LYS 40 lone 2 49 - 5 - HD2 LYS 44 - HE2 LYS 73 lone 2 69 - 3 - HD3 LYS 43 - HE3 LYS 39 lone 2 100 - 2 - HD2 LYS 43 - HE3 LYS 39 lone 2 99 - 2 - HD3 LYS 43 - HE2 LYS 39 lone 2 100 - 2 - HD2 LYS 44 - HE3 LYS 73 lone 2 68 - 3 - HD2 LYS 43 - HE2 LYS 39 lone 2 99 - 2 - HD3 LYS 96 - HE3 LYS 40 lone 2 63 - 3 - HD2 LYS 96 - HE3 LYS 40 lone 2 62 - 4 - HD2 LYS 44 - HE3 LYS 43 lone 2 64 - 3 - HD3 LYS 20 - HE3 LYS 39 lone 2 100 - 2 - HD2 LYS 20 - HE3 LYS 39 lone 2 99 - 2 - HD3 LYS 44 - HE2 LYS 43 lone 2 61 - 3 - HD3 LYS 20 - HE2 LYS 39 lone 2 100 - 2 - HD2 LYS 20 - HE2 LYS 39 lone 2 99 - 2 - HD3 LYS 44 - HE2 LYS 73 lone 2 61 - 3 - HD3 LYS 44 - HE3 LYS 73 lone 2 60 - 3 - HD3 LYS 44 - HE3 LYS 43 lone 2 57 - 3 - HG3 LYS 39 - HE2 LYS 73 lone 2 76 - 2 - HG3 LYS 39 - HE3 LYS 40 lone 2 41 - 4 - HG3 LYS 39 - HE3 LYS 73 lone 2 75 - 2 - HG3 LYS 123 - HE3 LYS 39 lone 1 77 - 2 - HD2 LYS 16 - HE2 LYS 73 lone 1 100 - 1 - HG3 LYS 123 - HE2 LYS 39 lone 1 77 - 2 - HD3 LYS 16 - HE2 LYS 73 lone 1 98 - 1 - HD2 LYS 16 - HE3 LYS 73 lone 1 99 - 1 - HD3 LYS 16 - HE3 LYS 73 lone 1 98 - 1 - HD2 LYS 16 - HE2 LYS 43 lone 1 100 - 1 - HD3 LYS 16 - HE2 LYS 43 lone 1 99 - 1 - HD2 LYS 16 - HE3 LYS 43 lone 1 97 - 1 - HD3 LYS 16 - HE3 LYS 43 lone 1 95 - 1 - HG3 ARG 95 - HE2 LYS 73 lone 1 95 - 1 - HG3 ARG 95 - HE3 LYS 73 lone 1 94 - 1 - HD2 LYS 17 - HE2 LYS 40 lone 1 72 - 1 - HG3 ARG 95 - HE2 LYS 43 lone 1 96 - 1 - HG3 ARG 95 - HE3 LYS 43 lone 1 91 - 1 - HG12 ILE 71 - HE2 LYS 73 lone 1 91 - 1 - HG12 ILE 71 - HE3 LYS 73 lone 1 90 - 1 - HD2 LYS 16 - HE3 LYS 39 lone 1 100 - 1 - HD2 LYS 16 - HE2 LYS 39 lone 1 100 - 1 - HG3 ARG 95 - HE2 LYS 40 lone 1 66 - 1 - HD3 LYS 16 - HE3 LYS 39 lone 1 99 - 1 - HD2 LYS 17 - HE3 LYS 40 lone 1 62 - 1 - HD3 LYS 16 - HE2 LYS 39 lone 1 99 - 1 - HD2 LYS 17 - HE2 LYS 43 lone 1 100 - 0 - HG3 ARG 95 - HE3 LYS 40 lone 1 56 - 1 - HD2 LYS 17 - HE3 LYS 43 lone 0 97 - 0 - HD2 LYS 17 - HE2 LYS 73 lone 0 99 - 0 - HD2 LYS 17 - HE3 LYS 73 lone 0 99 - 0 - HG3 LYS 123 - HE2 LYS 43 lone 0 77 - 0 - HG3 LYS 123 - HE3 LYS 43 lone 0 72 - 0 - HG3 ARG 95 - HE2 LYS 39 lone 0 95 - 0 - HG3 LYS 123 - HE2 LYS 73 lone 0 76 - 0 - HD2 LYS 17 - HE2 LYS 39 lone 0 100 - 0 - HD2 LYS 17 - HE3 LYS 39 lone 0 100 - 0 - HG3 LYS 123 - HE3 LYS 73 lone 0 75 - 0 - HG3 ARG 95 - HE3 LYS 39 lone 0 95 - 0 - HG12 ILE 71 - HE2 LYS 43 lone 0 92 - 0 - HG3 LYS 123 - HE2 LYS 40 lone 0 49 - 0 - HB ILE 56 - HE2 LYS 43 lone 0 99 - 0 - HG12 ILE 71 - HE3 LYS 43 lone 0 87 - 0 - HB ILE 56 - HE3 LYS 43 lone 0 95 - 0 - HD2 LYS 44 - HE2 LYS 40 lone 0 44 - 0 - HB ILE 54 - HE2 LYS 73 lone 0 100 - 0 - HB ILE 54 - HE3 LYS 73 lone 0 99 - 0 - HG12 ILE 71 - HE3 LYS 39 lone 0 92 - 0 - HG12 ILE 71 - HE2 LYS 39 lone 0 92 - 0 - HB ILE 54 - HE2 LYS 39 lone 0 100 - 0 - HB ILE 54 - HE3 LYS 39 lone 0 100 - 0 - HB ILE 56 - HE2 LYS 73 lone 0 98 - 0 - HB ILE 54 - HE2 LYS 43 lone 0 100 - 0 - HB ILE 56 - HE3 LYS 73 lone 0 98 - 0 - HB ILE 54 - HE3 LYS 43 lone 0 97 - 0 - HD2 LYS 44 - HE3 LYS 40 lone 0 36 - 1 - HG3 LYS 123 - HE3 LYS 40 lone 0 41 - 0 - HB ILE 54 - HE2 LYS 40 lone 0 73 - 0 - HB ILE 56 - HE2 LYS 39 lone 0 99 - 0 - HB ILE 56 - HE3 LYS 39 lone 0 99 - 0 - HD3 LYS 44 - HE2 LYS 40 lone 0 38 - 0 - HB ILE 54 - HE3 LYS 40 lone 0 62 - 0 - HD3 LYS 44 - HE3 LYS 40 lone 0 31 - 0 - HB ILE 56 - HE2 LYS 40 lone 0 70 - 0 - HG12 ILE 71 - HE2 LYS 40 lone 0 62 - 0 - HB ILE 56 - HE3 LYS 40 lone 0 60 - 0 - HG12 ILE 71 - HE3 LYS 40 lone 0 52 - 0 - Peak 3888 from cnoeabs.peaks (2.98, 2.98, 41.78 ppm; diagonal): 7 out of 8 assignments used, quality = 1.00: * HE2 LYS 43 + HE2 LYS 43 OK 100 100 - 100 HE3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 HE2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 HE2 LYS 73 + HE2 LYS 73 OK 100 100 - 100 HE3 LYS 73 + HE3 LYS 73 OK 99 99 - 100 HE3 LYS 43 + HE3 LYS 43 OK 95 95 - 100 HE2 LYS 40 + HE2 LYS 40 OK 57 57 - 100 HE3 LYS 40 - HE3 LYS 40 OK 44 44 - 100 Peak 3889 from cnoeabs.peaks (2.98, 2.98, 41.78 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HE2 LYS 39 + HE2 LYS 39 OK 99 99 - 100 HE3 LYS 73 + HE3 LYS 73 OK 99 99 - 100 HE2 LYS 43 + HE2 LYS 43 OK 99 99 - 100 HE3 LYS 39 + HE3 LYS 39 OK 98 98 - 100 HE3 LYS 43 + HE3 LYS 43 OK 97 97 - 100 HE2 LYS 73 + HE2 LYS 73 OK 96 96 - 100 HE2 LYS 40 + HE2 LYS 40 OK 68 68 - 100 HE3 LYS 40 + HE3 LYS 40 OK 54 54 - 100 Reference assignment not found: HE3 LYS 43 - HE2 LYS 43 Peak 3891 from cnoeabs.peaks (4.09, 2.98, 41.78 ppm; 6.20 A): 10 out of 50 assignments used, quality = 1.00: * HA LYS 43 + HE3 LYS 43 OK 99 100 - 99 - 6.6=83, 3841/3.9=31...(60) HA LYS 43 + HE2 LYS 43 OK 96 97 - 98 - 6.6=83, 3841/3.9=31...(61) HA LYS 20 + HE2 LYS 20 OK 77 78 - 98 - 6.6=82, 3073/3.9=31...(50) HA LYS 20 + HE3 LYS 20 OK 77 78 - 98 - 6.6=82, 3073/3.9=31...(50) HA LYS 20 + HE3 LYS 43 OK 62 100 - 62 - 3841/3.9=13, 3851/3.9=7...(17) HA LYS 20 + HE2 LYS 43 OK 60 97 - 62 - 3841/3.9=13, 3851/3.9=7...(17) HA LYS 20 + HE3 LYS 73 OK 55 100 - 56 - 3037/3.8=9, 11647=4...(14) HA LYS 20 + HE2 LYS 73 OK 51 93 - 55 - 3037/3.8=9, 3038/2.9=4...(15) HA LYS 43 + HE3 LYS 20 OK 48 78 - 62 - 3063/3.9=15, 3073/3.9=13...(13) HA LYS 43 + HE2 LYS 20 OK 48 78 - 62 - 3063/3.9=15, 3073/3.9=13...(13) HA LYS 43 - HE3 LYS 73 OK 44 100 - 45 - 11646/1.8=6, 3.9/3848=4...(13) HA LYS 43 - HE2 LYS 73 OK 42 93 - 45 - 11646/1.8=5, 11646=5...(13) HA LYS 43 - HE2 LYS 40 OK 27 93 - 29 - 3815/3.9=6, ~1278=3...(7) HA LYS 43 - HE3 LYS 40 OK 26 87 - 30 - 3815/3.9=6, ~1278=3...(7) HA LYS 20 - HE2 LYS 40 OK 26 93 - 28 - 3.8/3071=3, 3.8/3080=2...(7) HA LYS 20 - HE3 LYS 40 OK 25 87 - 29 - 3.8/3070=3, 11647=3...(7) HA ASP 110 - HE3 LYS 43 OK 16 97 - 17 - ~10382=4, ~10374=3...(4) HA ASP 110 - HE2 LYS 43 OK 16 93 - 17 - ~10382=4, ~10374=3...(4) HA LYS 43 - HE2 LYS 39 OK 12 99 - 12 - 11646/1.8=2, 11646=1, 3.9/3848=1 HA LYS 43 - HE3 LYS 39 OK 12 96 - 12 - 11646/1.8=2, 11646=1, 3.9/3848=1 HA ASP 110 - HE2 LYS 20 OK 11 72 - 15 - ~10382=3, ~10374=3...(4) HA ASP 110 - HE3 LYS 20 OK 11 72 - 15 - ~10382=3, ~10374=3...(4) HA LYS 20 - HE2 LYS 39 lone 9 99 - 9 - HA LYS 20 - HE3 LYS 39 lone 8 96 - 9 - HA GLN 62 - HE2 LYS 39 lone 6 66 - 8 - 8104/5.0=2, 10935/3.6=2...(4) HA GLN 62 - HE3 LYS 39 lone 5 62 - 8 - 8104/5.0=2, 10935/3.6=2...(4) HA ASP 110 - HE3 LYS 73 lone 3 96 - 3 - HA ASP 110 - HE2 LYS 73 lone 3 88 - 3 - HA ASP 110 - HE2 LYS 40 lone 3 88 - 3 - HA ASP 110 - HE3 LYS 40 lone 3 81 - 3 - HA GLU 91 - HE3 LYS 43 lone 2 77 - 3 - HA GLN 62 - HE2 LYS 20 lone 2 47 - 4 - 3073/3.9=1 HA GLN 62 - HE3 LYS 20 lone 2 47 - 4 - 3073/3.9=1 HA GLU 91 - HE2 LYS 43 lone 2 72 - 3 - HA ASP 110 - HE2 LYS 39 lone 2 94 - 2 - HA ASP 110 - HE3 LYS 39 lone 2 90 - 2 - HA GLN 62 - HE3 LYS 43 lone 2 70 - 3 - HA GLN 62 - HE2 LYS 43 lone 2 64 - 3 - HA GLU 91 - HE2 LYS 39 lone 2 74 - 2 - HA GLU 91 - HE3 LYS 73 lone 2 76 - 2 - HA GLU 91 - HE3 LYS 39 lone 2 70 - 2 - HA GLN 62 - HE3 LYS 73 lone 2 69 - 2 - HA GLU 91 - HE2 LYS 73 lone 1 67 - 2 - HA GLU 91 - HE2 LYS 40 lone 1 67 - 2 - HA GLU 91 - HE2 LYS 20 lone 1 53 - 3 - HA GLU 91 - HE3 LYS 20 lone 1 53 - 3 - HA GLN 62 - HE2 LYS 40 lone 1 60 - 2 - HA GLN 62 - HE2 LYS 73 lone 1 60 - 2 - HA GLU 91 - HE3 LYS 40 lone 1 61 - 2 - HA GLN 62 - HE3 LYS 40 lone 1 54 - 2 - Peak 3892 from cnoeabs.peaks (1.91, 2.98, 41.78 ppm; 3.34 A): 8 out of 200 assignments used, quality = 1.00: * HB2 LYS 43 + HE3 LYS 43 OK 77 100 - 77 - 4.7=37, 3.0/3848=6...(40) HB2 LYS 43 + HE2 LYS 43 OK 76 97 - 78 - 4.7=37, 3.0/3848=6...(42) HB3 LYS 43 + HE3 LYS 43 OK 74 98 - 76 - 4.7=37, 3.0/3848=6...(40) HB3 LYS 43 + HE2 LYS 43 OK 72 94 - 77 - 4.7=37, 3.0/3848=6...(42) HB2 LYS 73 + HE3 LYS 73 OK 66 86 - 77 - 4.9=32, 2.9/5207=7...(32) HB3 LYS 73 + HE3 LYS 73 OK 64 83 - 77 - 4.9=32, 2.9/5207=7...(32) HB2 LYS 73 + HE2 LYS 73 OK 60 76 - 78 - 4.9=32, 2.9/5207=7...(34) HB3 LYS 73 + HE2 LYS 73 OK 57 73 - 78 - 4.9=32, 2.9/5207=7...(33) HB3 LYS 20 - HE2 LYS 20 OK 37 47 - 79 - 4.8=33, 2.9/3071=5...(39) HB3 LYS 20 - HE3 LYS 20 OK 37 47 - 79 - 4.8=33, 2.9/3071=5...(39) HB2 LYS 20 - HE2 LYS 20 OK 37 47 - 79 - 4.8=33, 2.9/3071=5...(39) HB2 LYS 20 - HE3 LYS 20 OK 37 47 - 79 - 4.8=33, 2.9/3071=5...(39) HB2 LYS 73 - HE3 LYS 43 OK 27 87 - 32 - 2.9/5172=3, 2.9/5207=2...(9) HB2 LYS 73 - HE2 LYS 43 OK 26 82 - 32 - 2.9/5171=3, 2.9/5197=3...(9) HB3 LYS 73 - HE3 LYS 43 OK 26 84 - 31 - 2.9/5172=3, 2.9/5207=2...(9) HB2 LYS 43 - HE3 LYS 73 OK 25 100 - 25 - 3.0/3848=2, 3.0/3885=1...(5) HB3 LYS 73 - HE2 LYS 43 OK 25 78 - 32 - 2.9/5171=3, 2.9/5197=3...(9) HB2 LYS 43 - HE2 LYS 73 OK 25 93 - 27 - 3.0/3848=2, 3.0/3885=1...(4) HB2 LYS 20 - HE3 LYS 43 OK 25 70 - 36 - 2.9/3070=2, 2.9/3081=2...(8) HB3 LYS 20 - HE3 LYS 43 OK 25 70 - 36 - 2.9/3070=2, 2.9/3081=2...(8) HB3 LYS 20 - HE2 LYS 43 OK 24 64 - 38 - 2.9/3884=2, 2.9/5198=2...(8) HB2 LYS 20 - HE2 LYS 43 OK 24 64 - 38 - 2.9/3884=2, 2.9/5198=2...(8) HB3 LYS 43 - HE3 LYS 73 OK 24 98 - 25 - 3.0/3848=2, 3.0/3885=1...(5) HB3 LYS 20 - HE3 LYS 73 OK 23 69 - 34 - 2.9/3071=2, 2.9/3081=2, ~5198=1 HB2 LYS 20 - HE3 LYS 73 OK 23 69 - 34 - 2.9/3070=2, 2.9/3080=2, ~5198=1 HB3 LYS 43 - HE2 LYS 73 OK 23 89 - 26 - 3.0/3848=2, 3.0/3885=1...(4) HB3 LYS 20 - HE2 LYS 73 OK 22 60 - 36 - 2.9/5198=2, 2.9/3884=2...(7) HB2 LYS 20 - HE2 LYS 73 OK 22 60 - 36 - 2.9/5198=2, 2.9/3884=2...(7) HB2 LYS 43 - HE3 LYS 20 OK 22 78 - 28 - 3.0/3849=2, 3824/3.9=1, ~3849=1 HB2 LYS 43 - HE2 LYS 20 OK 22 78 - 28 - 3.0/3849=2, 3824/3.9=1, ~3849=1 HB3 LYS 43 - HE2 LYS 20 OK 19 74 - 27 - 3.0/3849=2, 3824/3.9=1, ~3849=1 HB3 LYS 43 - HE3 LYS 20 OK 19 74 - 27 - 3.0/3849=2, 3824/3.9=1, ~3849=1 HB2 LYS 73 - HE2 LYS 20 OK 16 62 - 26 - 2.9/5172=2, 2.9/5162=2, ~5172=1 HB2 LYS 73 - HE3 LYS 20 OK 16 62 - 26 - 2.9/5172=2, 2.9/5162=2, ~5172=1 HB2 LYS 43 - HE2 LYS 40 OK 15 93 - 16 - 3.0/3849=1, 8064/6.4=1 HB3 LYS 73 - HE3 LYS 20 OK 15 59 - 26 - 2.9/5172=2, 2.9/5162=2, ~5172=1 HB3 LYS 73 - HE2 LYS 20 OK 15 59 - 26 - 2.9/5172=2, 2.9/5162=2, ~5172=1 HB2 LYS 43 - HE3 LYS 40 OK 14 87 - 17 - 3.0/3849=1, 8064/6.4=1 HB3 LYS 43 - HE2 LYS 40 OK 14 89 - 16 - 3.0/3849=1, 8064/6.4=1 HB3 LYS 43 - HE3 LYS 40 OK 13 83 - 16 - 3.0/3849=1, 8064/6.4=1 HB2 LYS 96 - HE3 LYS 73 OK 13 98 - 13 - HB2 LYS 96 - HE2 LYS 73 OK 12 89 - 14 - HB3 LYS 20 - HE2 LYS 40 OK 12 60 - 20 - 2.9/3070=1, 2.9/3081=1 HB2 LYS 20 - HE2 LYS 40 OK 12 60 - 20 - 2.9/3070=1, 2.9/3081=1 HB2 LYS 96 - HE3 LYS 43 OK 12 98 - 12 - HB2 LYS 44 - HE3 LYS 43 OK 12 99 - 12 - HB2 LYS 96 - HE2 LYS 43 OK 11 94 - 12 - HB2 LYS 44 - HE2 LYS 39 OK 11 97 - 12 - HB3 LYS 44 - HE2 LYS 39 OK 11 99 - 11 - HB2 LYS 44 - HE2 LYS 43 OK 11 96 - 12 - HB2 LYS 44 - HE3 LYS 39 OK 11 94 - 12 - HB3 LYS 44 - HE3 LYS 43 OK 11 100 - 11 - HB3 LYS 44 - HE3 LYS 39 OK 11 96 - 11 - HB2 LYS 20 - HE3 LYS 40 OK 11 54 - 20 - 2.9/3071=1, 2.9/3081=1 HB3 LYS 20 - HE3 LYS 40 OK 11 54 - 20 - 2.9/3070=1, 2.9/3081=1 HB3 LYS 44 - HE2 LYS 43 OK 11 97 - 11 - HB2 LYS 96 - HE2 LYS 20 poor 9 74 - 13 - HB2 LYS 96 - HE3 LYS 20 poor 9 74 - 13 - HB2 LYS 44 - HE3 LYS 73 lone 9 99 - 9 - HB2 LYS 96 - HE2 LYS 40 poor 9 89 - 10 - 8064/6.4=1 HB3 LYS 44 - HE3 LYS 73 lone 9 100 - 9 - HB2 LYS 44 - HE2 LYS 73 lone 9 92 - 9 - HB3 LYS 44 - HE2 LYS 73 lone 8 93 - 9 - HB2 LYS 96 - HE3 LYS 40 lone 8 83 - 10 - 8064/6.4=1 HB2 LYS 96 - HE2 LYS 39 lone 8 96 - 8 - HB2 LYS 96 - HE3 LYS 39 lone 7 92 - 8 - HB2 LYS 73 - HE2 LYS 40 lone 7 76 - 9 - HB3 LYS 73 - HE2 LYS 40 lone 6 73 - 9 - HB2 LYS 73 - HE3 LYS 40 lone 6 70 - 9 - HB3 LYS 73 - HE3 LYS 40 lone 6 67 - 9 - HB2 LYS 43 - HE2 LYS 39 lone 6 99 - 6 - HB2 LYS 43 - HE3 LYS 39 lone 6 96 - 6 - HB2 LYS 73 - HE2 LYS 39 lone 6 83 - 6 - HB3 LYS 43 - HE2 LYS 39 lone 5 96 - 6 - HB3 LYS 73 - HE2 LYS 39 lone 5 80 - 6 - HB2 LYS 73 - HE3 LYS 39 lone 5 79 - 6 - HB3 LYS 43 - HE3 LYS 39 lone 5 92 - 6 - HB3 LYS 73 - HE3 LYS 39 lone 5 76 - 6 - HB3 LYS 123 - HE2 LYS 39 lone 4 94 - 5 - HB3 LYS 123 - HE3 LYS 39 lone 4 90 - 5 - HB2 LEU 45 - HE3 LYS 73 lone 4 99 - 4 - HB2 LEU 45 - HE2 LYS 73 lone 4 92 - 4 - HB2 LYS 20 - HE2 LYS 39 lone 3 66 - 4 - HB3 LYS 20 - HE2 LYS 39 lone 3 66 - 4 - HB3 LYS 20 - HE3 LYS 39 lone 3 62 - 5 - HB2 LYS 20 - HE3 LYS 39 lone 3 62 - 5 - HB2 LYS 44 - HE2 LYS 20 lone 3 76 - 3 - HB2 LYS 44 - HE3 LYS 20 lone 3 76 - 3 - HB3 LYS 44 - HE2 LYS 20 lone 3 78 - 3 - HB3 LYS 44 - HE3 LYS 20 lone 3 78 - 3 - HB2 ARG 95 - HE2 LYS 40 lone 2 82 - 3 - HB2 LEU 45 - HE3 LYS 20 lone 2 77 - 3 - HB2 LEU 45 - HE2 LYS 20 lone 2 77 - 3 - HB2 ARG 95 - HE3 LYS 40 lone 2 75 - 3 - HB2 LEU 45 - HE2 LYS 43 lone 2 97 - 2 - HB2 LEU 45 - HE3 LYS 43 lone 2 100 - 2 - HB2 LYS 44 - HE2 LYS 40 lone 2 92 - 2 - HB3 LYS 44 - HE2 LYS 40 lone 2 93 - 2 - HB3 LYS 44 - HE3 LYS 40 lone 2 87 - 2 - HB2 LYS 44 - HE3 LYS 40 lone 2 85 - 2 - HB2 ARG 95 - HE3 LYS 73 lone 2 91 - 2 - HB ILE 71 - HE3 LYS 73 lone 2 89 - 2 - HB2 ARG 95 - HE2 LYS 20 lone 2 66 - 2 - HB2 ARG 95 - HE3 LYS 20 lone 2 66 - 2 - HB2 ARG 95 - HE2 LYS 73 lone 2 82 - 2 - HB3 LYS 17 - HE2 LYS 20 lone 2 53 - 3 - ~2816=1 HB3 LYS 17 - HE3 LYS 20 lone 2 53 - 3 - ~2816=1 HB2 ARG 95 - HE3 LYS 43 lone 2 92 - 2 - HB ILE 71 - HE2 LYS 73 lone 2 79 - 2 - HB2 ARG 95 - HE2 LYS 43 lone 1 87 - 2 - HB3 LYS 123 - HE2 LYS 40 lone 1 88 - 2 - HB3 LYS 123 - HE3 LYS 40 lone 1 81 - 1 - HB2 ARG 95 - HE2 LYS 39 lone 1 89 - 1 - HB3 LYS 123 - HE3 LYS 43 lone 1 97 - 1 - HB3 LYS 17 - HE2 LYS 40 lone 1 67 - 2 - HB3 LYS 123 - HE2 LYS 43 lone 1 93 - 1 - HB2 ARG 95 - HE3 LYS 39 lone 1 84 - 1 - HB3 LYS 17 - HE3 LYS 40 lone 1 61 - 2 - HB3 LYS 123 - HE3 LYS 73 lone 1 96 - 1 - HB2 LEU 81 - HE2 LYS 39 lone 1 83 - 1 - HB2 LEU 81 - HE3 LYS 39 lone 1 79 - 1 - HB3 LYS 123 - HE2 LYS 73 lone 1 88 - 1 - HB ILE 15 - HE3 LYS 73 lone 1 95 - 1 - HB3 LYS 123 - HE2 LYS 20 lone 1 72 - 1 - HB3 LYS 123 - HE3 LYS 20 lone 1 72 - 1 - HB ILE 15 - HE2 LYS 73 lone 1 86 - 1 - HB3 LYS 17 - HE3 LYS 43 lone 1 77 - 1 - HB2 LEU 45 - HE2 LYS 39 lone 1 98 - 1 - HB3 LYS 17 - HE2 LYS 43 lone 1 72 - 1 - HB2 LEU 45 - HE3 LYS 39 lone 1 95 - 1 - HB2 LEU 45 - HE2 LYS 40 lone 0 92 - 1 - HB3 LYS 17 - HE3 LYS 73 lone 0 76 - 1 - HB ILE 71 - HE2 LYS 39 lone 0 86 - 1 - HB2 LEU 45 - HE3 LYS 40 lone 0 86 - 1 - HB ILE 71 - HE3 LYS 39 lone 0 82 - 1 - HB ILE 71 - HE3 LYS 43 lone 0 90 - 0 - HB2 LYS 49 - HE2 LYS 39 lone 0 93 - 0 - HB3 LYS 17 - HE2 LYS 73 lone 0 67 - 1 - HB2 GLU 128 - HE2 LYS 40 lone 0 89 - 0 - HB ILE 71 - HE2 LYS 43 lone 0 84 - 1 - HB2 LYS 49 - HE3 LYS 39 lone 0 89 - 0 - HB2 LYS 49 - HE3 LYS 43 lone 0 96 - 0 - HB2 LYS 49 - HE3 LYS 73 lone 0 95 - 0 - HB2 LYS 49 - HE2 LYS 43 lone 0 91 - 0 - HB2 GLU 128 - HE2 LYS 39 lone 0 96 - 0 - HB2 GLU 128 - HE3 LYS 40 lone 0 83 - 0 - HB2 GLU 128 - HE3 LYS 73 lone 0 98 - 0 - HB2 GLU 128 - HE3 LYS 39 lone 0 92 - 0 - HB2 LYS 49 - HE2 LYS 73 lone 0 86 - 0 - HB ILE 7 - HE2 LYS 39 lone 0 74 - 1 - HB2 GLU 128 - HE3 LYS 43 lone 0 98 - 0 - HB ILE 15 - HE2 LYS 40 lone 0 86 - 0 - HB ILE 71 - HE3 LYS 20 lone 0 64 - 1 - HB ILE 71 - HE2 LYS 20 lone 0 64 - 1 - HB2 LEU 81 - HE3 LYS 43 lone 0 87 - 0 - HB2 GLU 128 - HE2 LYS 43 lone 0 94 - 0 - HB ILE 7 - HE3 LYS 39 lone 0 70 - 1 - HB2 GLU 128 - HE2 LYS 73 lone 0 89 - 0 - HB2 LYS 49 - HE2 LYS 40 lone 0 86 - 0 - HB ILE 15 - HE3 LYS 43 lone 0 96 - 0 - HB2 LEU 81 - HE3 LYS 73 lone 0 86 - 0 - HB ILE 71 - HE2 LYS 40 lone 0 79 - 0 - HB ILE 15 - HE2 LYS 39 lone 0 93 - 0 - HB2 LEU 81 - HE2 LYS 43 lone 0 82 - 0 - HB ILE 15 - HE2 LYS 43 lone 0 91 - 0 - HB ILE 15 - HE3 LYS 40 lone 0 79 - 0 - HB ILE 7 - HE3 LYS 43 lone 0 77 - 0 - HB ILE 15 - HE3 LYS 39 lone 0 89 - 0 - HB3 LYS 17 - HE2 LYS 39 lone 0 74 - 0 - HG2 MET 121 - HE3 LYS 43 lone 0 92 - 0 - HG2 MET 121 - HE2 LYS 39 lone 0 89 - 0 - HB ILE 7 - HE3 LYS 73 lone 0 76 - 0 - HB2 LYS 49 - HE3 LYS 20 lone 0 71 - 0 - HB2 LYS 49 - HE2 LYS 20 lone 0 71 - 0 - HB2 LYS 49 - HE3 LYS 40 lone 0 79 - 0 - HB ILE 71 - HE3 LYS 40 lone 0 72 - 0 - HB ILE 7 - HE2 LYS 43 lone 0 72 - 0 - HG2 MET 121 - HE3 LYS 73 lone 0 91 - 0 - HB2 LEU 81 - HE2 LYS 40 lone 0 76 - 0 - HB3 LYS 17 - HE3 LYS 39 lone 0 70 - 0 - HG2 MET 121 - HE3 LYS 39 lone 0 84 - 0 - HG2 MET 121 - HE2 LYS 43 lone 0 87 - 0 - HB2 LEU 81 - HE2 LYS 73 lone 0 76 - 0 - HB2 GLU 128 - HE2 LYS 20 lone 0 74 - 0 - HB2 GLU 128 - HE3 LYS 20 lone 0 74 - 0 - HG2 MET 121 - HE2 LYS 40 lone 0 82 - 0 - HB ILE 7 - HE2 LYS 73 lone 0 67 - 0 - HB2 LEU 81 - HE3 LYS 40 lone 0 70 - 0 - HG2 MET 121 - HE2 LYS 73 lone 0 82 - 0 - HB ILE 7 - HE2 LYS 40 lone 0 67 - 0 - HB ILE 15 - HE2 LYS 20 lone 0 71 - 0 - HB ILE 15 - HE3 LYS 20 lone 0 71 - 0 - HG2 MET 121 - HE3 LYS 40 lone 0 75 - 0 - HB2 LEU 81 - HE3 LYS 20 lone 0 62 - 0 - HB2 LEU 81 - HE2 LYS 20 lone 0 62 - 0 - HB ILE 7 - HE3 LYS 40 lone 0 61 - 0 - HG2 MET 121 - HE2 LYS 20 lone 0 66 - 0 - HG2 MET 121 - HE3 LYS 20 lone 0 66 - 0 - HB ILE 7 - HE2 LYS 20 lone 0 53 - 0 - HB ILE 7 - HE3 LYS 20 lone 0 53 - 0 - Peak 3893 from cnoeabs.peaks (1.90, 2.98, 41.78 ppm; 3.34 A): 12 out of 200 assignments used, quality = 1.00: * HB3 LYS 43 + HE3 LYS 43 OK 76 100 - 76 - 4.7=37, 3.0/3848=6...(40) HB2 LYS 73 + HE3 LYS 73 OK 75 98 - 77 - 4.9=32, 2.9/5207=7...(32) HB2 LYS 43 + HE3 LYS 43 OK 75 98 - 77 - 4.7=37, 3.0/3848=6...(40) HB3 LYS 43 + HE2 LYS 43 OK 75 97 - 77 - 4.7=37, 3.0/3848=6...(42) HB3 LYS 73 + HE3 LYS 73 OK 74 96 - 77 - 4.9=32, 2.9/5207=7...(32) HB2 LYS 43 + HE2 LYS 43 OK 73 94 - 78 - 4.7=37, 3.0/3848=6...(42) HB2 LYS 73 + HE2 LYS 73 OK 70 89 - 78 - 4.9=32, 2.9/5207=7...(34) HB3 LYS 73 + HE2 LYS 73 OK 68 88 - 78 - 4.9=32, 2.9/5207=7...(34) HB2 LYS 20 + HE2 LYS 20 OK 51 64 - 80 - 4.8=33, 2.9/3070=5...(40) HB2 LYS 20 + HE3 LYS 20 OK 51 64 - 80 - 4.8=33, 2.9/3070=5...(40) HB3 LYS 20 + HE3 LYS 20 OK 51 64 - 80 - 4.8=33, 2.9/3070=5...(40) HB3 LYS 20 + HE2 LYS 20 OK 51 64 - 80 - 4.8=33, 2.9/3070=5...(40) HB3 LYS 20 - HE2 LYS 43 OK 32 84 - 38 - 2.9/3884=2, 2.9/5198=2...(8) HB2 LYS 20 - HE2 LYS 43 OK 32 84 - 38 - 2.9/3884=2, 2.9/5198=2...(8) HB3 LYS 20 - HE3 LYS 43 OK 32 90 - 36 - 2.9/3070=2, 2.9/3080=2...(8) HB2 LYS 20 - HE3 LYS 43 OK 32 90 - 36 - 2.9/3070=2, 2.9/3080=2...(8) HB2 LYS 73 - HE3 LYS 43 OK 31 98 - 32 - 2.9/5172=3, 2.9/5207=2...(9) HB3 LYS 73 - HE3 LYS 43 OK 30 97 - 32 - 2.9/5172=3, 2.9/5207=2...(9) HB2 LYS 73 - HE2 LYS 43 OK 30 94 - 32 - 2.9/5171=3, 2.9/5197=3...(9) HB2 LYS 20 - HE3 LYS 73 OK 30 89 - 34 - 2.9/3071=2, 2.9/3081=2, ~5198=1 HB3 LYS 20 - HE3 LYS 73 OK 30 89 - 34 - 2.9/3071=2, 2.9/3081=2, ~5198=1 HB3 LYS 73 - HE2 LYS 43 OK 30 93 - 32 - 2.9/5171=3, 2.9/5197=3...(9) HB2 LYS 20 - HE2 LYS 73 OK 29 79 - 37 - 2.9/5198=2, 2.9/3884=2...(7) HB3 LYS 20 - HE2 LYS 73 OK 29 79 - 37 - 2.9/5198=2, 2.9/3884=2...(7) HB2 LYS 43 - HE3 LYS 73 OK 25 98 - 26 - 3.0/3848=2, 3.0/3885=1...(5) HB3 LYS 43 - HE3 LYS 73 OK 25 100 - 25 - 3.0/3848=2, 3.0/3885=1...(5) HB3 LYS 43 - HE2 LYS 73 OK 24 93 - 26 - 3.0/3848=2, 3.0/3885=1...(4) HB2 LYS 43 - HE2 LYS 73 OK 24 89 - 27 - 3.0/3848=2, 3.0/3885=1...(4) HB3 LYS 43 - HE3 LYS 20 OK 21 78 - 27 - 3.0/3849=2, 3824/3.9=1, ~3849=1 HB3 LYS 43 - HE2 LYS 20 OK 21 78 - 27 - 3.0/3849=2, 3824/3.9=1, ~3849=1 HB2 LYS 43 - HE2 LYS 20 OK 20 74 - 28 - 3.0/3849=2, 3824/3.9=1, ~3849=1 HB2 LYS 43 - HE3 LYS 20 OK 20 74 - 28 - 3.0/3849=2, 3824/3.9=1, ~3849=1 HB2 LYS 73 - HE2 LYS 20 OK 19 74 - 27 - 2.9/5172=2, 2.9/5162=2, ~5172=1 HB2 LYS 73 - HE3 LYS 20 OK 19 74 - 27 - 2.9/5172=2, 2.9/5162=2, ~5172=1 HB3 LYS 73 - HE3 LYS 20 OK 19 72 - 26 - 2.9/5172=2, 2.9/5162=2, ~5172=1 HB3 LYS 73 - HE2 LYS 20 OK 19 72 - 26 - 2.9/5172=2, 2.9/5162=2, ~5172=1 HB2 LYS 20 - HE2 LYS 40 OK 16 79 - 20 - 2.9/3070=1, 2.9/3081=1 HB3 LYS 20 - HE2 LYS 40 OK 16 79 - 20 - 2.9/3070=1, 2.9/3081=1 HB2 LYS 20 - HE3 LYS 40 OK 15 72 - 20 - 2.9/3071=1, 2.9/3081=1 HB3 LYS 20 - HE3 LYS 40 OK 15 72 - 20 - 2.9/3071=1, 2.9/3081=1 HB3 LYS 43 - HE2 LYS 40 OK 15 93 - 16 - 3.0/3849=1, 8066/6.4=1 HB2 LYS 43 - HE2 LYS 40 OK 15 89 - 16 - 3.0/3849=1, 8066/6.4=1 HB3 LYS 43 - HE3 LYS 40 OK 14 87 - 16 - 3.0/3849=1, 8066/6.4=1 HB2 LYS 43 - HE3 LYS 40 OK 14 83 - 16 - 3.0/3849=1, 8066/6.4=1 HB2 LYS 96 - HE3 LYS 73 OK 13 100 - 13 - HB2 LYS 96 - HE2 LYS 73 OK 13 93 - 14 - HB2 LYS 96 - HE3 LYS 43 OK 12 100 - 12 - HB2 LYS 96 - HE2 LYS 43 OK 12 97 - 12 - HB3 LYS 44 - HE2 LYS 39 OK 11 97 - 11 - HB3 LYS 44 - HE3 LYS 43 OK 11 99 - 11 - HB2 LYS 44 - HE3 LYS 43 OK 11 92 - 11 - HB3 LYS 44 - HE3 LYS 39 OK 11 93 - 11 - HB2 LYS 44 - HE2 LYS 39 OK 10 89 - 12 - HB3 LYS 44 - HE2 LYS 43 OK 10 95 - 11 - HB2 LYS 96 - HE2 LYS 20 OK 10 78 - 13 - HB2 LYS 96 - HE3 LYS 20 OK 10 78 - 13 - HB2 LYS 44 - HE2 LYS 43 poor 10 87 - 11 - HB2 LYS 44 - HE3 LYS 39 poor 10 84 - 12 - HB2 LYS 96 - HE2 LYS 40 poor 9 93 - 10 - 8066/6.4=1 HB3 LYS 44 - HE3 LYS 73 lone 9 98 - 9 - HB2 LYS 44 - HE3 LYS 73 lone 9 91 - 9 - HB2 LYS 96 - HE3 LYS 40 lone 8 87 - 10 - 8066/6.4=1 HB3 LYS 44 - HE2 LYS 73 lone 8 91 - 9 - HB2 LYS 96 - HE2 LYS 39 lone 8 99 - 8 - HB2 LYS 73 - HE2 LYS 40 lone 8 89 - 9 - HB3 LYS 73 - HE2 LYS 40 lone 8 88 - 9 - HB2 LYS 96 - HE3 LYS 39 lone 8 96 - 8 - HB2 LYS 44 - HE2 LYS 73 lone 8 82 - 9 - HB2 LYS 73 - HE3 LYS 40 lone 8 83 - 9 - HB3 LYS 73 - HE3 LYS 40 lone 7 81 - 9 - HB2 LYS 73 - HE2 LYS 39 lone 6 96 - 6 - HB3 LYS 73 - HE2 LYS 39 lone 6 94 - 6 - HB2 LYS 73 - HE3 LYS 39 lone 6 92 - 7 - HB3 LYS 73 - HE3 LYS 39 lone 6 90 - 6 - HB3 LYS 43 - HE2 LYS 39 lone 6 99 - 6 - HB2 LYS 43 - HE2 LYS 39 lone 6 96 - 6 - HB3 LYS 43 - HE3 LYS 39 lone 5 96 - 6 - HB2 LYS 43 - HE3 LYS 39 lone 5 92 - 6 - HB3 LYS 20 - HE2 LYS 39 lone 4 86 - 4 - HB2 LYS 20 - HE2 LYS 39 lone 4 86 - 4 - HB2 LYS 20 - HE3 LYS 39 lone 4 82 - 5 - HB3 LYS 20 - HE3 LYS 39 lone 4 82 - 5 - HB2 LEU 45 - HE3 LYS 73 lone 4 99 - 4 - HB2 LEU 45 - HE2 LYS 73 lone 4 92 - 4 - HB3 LYS 123 - HE2 LYS 39 lone 4 80 - 5 - HB3 LYS 123 - HE3 LYS 39 lone 4 76 - 5 - HB2 ARG 95 - HE2 LYS 40 lone 3 92 - 3 - 7789/7.5=1 HB2 ARG 95 - HE3 LYS 40 lone 3 85 - 3 - 7789/7.5=1 HB3 LYS 44 - HE3 LYS 20 lone 2 75 - 3 - HB3 LYS 44 - HE2 LYS 20 lone 2 75 - 3 - HB2 LEU 45 - HE3 LYS 20 lone 2 77 - 3 - HB2 LEU 45 - HE2 LYS 20 lone 2 77 - 3 - HB2 LYS 44 - HE2 LYS 20 lone 2 66 - 3 - HB2 LYS 44 - HE3 LYS 20 lone 2 66 - 3 - HB2 LEU 45 - HE2 LYS 43 lone 2 97 - 2 - HB2 LEU 45 - HE3 LYS 43 lone 2 100 - 2 - HB2 ARG 95 - HE3 LYS 73 lone 2 99 - 2 - HB ILE 71 - HE3 LYS 73 lone 2 98 - 2 - HB2 ARG 95 - HE2 LYS 20 lone 2 76 - 3 - HB2 ARG 95 - HE3 LYS 20 lone 2 76 - 3 - HB ILE 71 - HE2 LYS 73 lone 2 91 - 2 - HB3 LYS 44 - HE2 LYS 40 lone 2 91 - 2 - HB2 ARG 95 - HE2 LYS 73 lone 2 92 - 2 - HB3 LYS 44 - HE3 LYS 40 lone 2 84 - 2 - HB2 ARG 95 - HE3 LYS 43 lone 2 99 - 2 - HB2 LYS 44 - HE2 LYS 40 lone 2 82 - 2 - HB2 ARG 95 - HE2 LYS 43 lone 2 96 - 2 - HG LEU 45 - HE3 LYS 73 lone 2 61 - 3 - HB2 LYS 44 - HE3 LYS 40 lone 2 75 - 2 - HG LEU 45 - HE2 LYS 73 lone 1 52 - 3 - HB2 ARG 95 - HE2 LYS 39 lone 1 97 - 1 - HG LEU 45 - HE3 LYS 43 lone 1 61 - 2 - HB3 LYS 123 - HE2 LYS 40 lone 1 73 - 1 - HG LEU 45 - HE2 LYS 43 lone 1 57 - 2 - HB2 ARG 95 - HE3 LYS 39 lone 1 94 - 1 - HB3 LYS 123 - HE3 LYS 40 lone 1 67 - 1 - HG LEU 45 - HE3 LYS 20 lone 1 41 - 2 - HG LEU 45 - HE2 LYS 20 lone 1 41 - 2 - HB3 LYS 123 - HE3 LYS 43 lone 1 84 - 1 - HB3 LYS 123 - HE2 LYS 43 lone 1 78 - 1 - HB3 LYS 123 - HE3 LYS 73 lone 1 83 - 1 - HB3 LYS 123 - HE2 LYS 73 lone 1 73 - 1 - HB2 LEU 45 - HE2 LYS 39 lone 1 98 - 1 - HB2 LEU 45 - HE3 LYS 39 lone 1 95 - 1 - HB ILE 71 - HE2 LYS 39 lone 1 97 - 1 - HB ILE 71 - HE3 LYS 39 lone 1 93 - 1 - HB ILE 71 - HE3 LYS 43 lone 0 99 - 1 - HB3 LYS 123 - HE3 LYS 20 lone 1 59 - 1 - HB3 LYS 123 - HE2 LYS 20 lone 1 59 - 1 - HB2 LEU 45 - HE2 LYS 40 lone 0 92 - 1 - HB ILE 15 - HE3 LYS 73 lone 1 80 - 1 - HB ILE 71 - HE2 LYS 43 lone 0 95 - 1 - HB2 LEU 81 - HE2 LYS 39 lone 0 62 - 1 - HB2 LEU 45 - HE3 LYS 40 lone 0 86 - 1 - HB2 LYS 49 - HE2 LYS 39 lone 0 98 - 0 - HB ILE 7 - HE2 LYS 39 lone 0 91 - 1 - HB2 GLU 128 - HE2 LYS 40 lone 0 93 - 0 - HB2 LYS 49 - HE3 LYS 39 lone 0 95 - 0 - HB2 LEU 81 - HE3 LYS 39 lone 0 58 - 1 - HB ILE 7 - HE3 LYS 39 lone 0 87 - 1 - HB ILE 71 - HE3 LYS 20 lone 0 75 - 1 - HB ILE 71 - HE2 LYS 20 lone 0 75 - 1 - HB2 LYS 49 - HE3 LYS 73 lone 0 100 - 0 - HB2 LYS 49 - HE3 LYS 43 lone 0 100 - 0 - HB ILE 15 - HE2 LYS 73 lone 0 70 - 1 - HB2 GLU 128 - HE3 LYS 40 lone 0 87 - 0 - HB2 LYS 49 - HE2 LYS 43 lone 0 97 - 0 - HB2 LYS 49 - HE2 LYS 73 lone 0 93 - 0 - HB2 GLU 128 - HE2 LYS 39 lone 0 99 - 0 - HB2 GLU 128 - HE3 LYS 73 lone 0 100 - 0 - HB ILE 7 - HE3 LYS 43 lone 0 94 - 0 - HB2 GLU 128 - HE3 LYS 39 lone 0 96 - 0 - HB ILE 71 - HE2 LYS 40 lone 0 91 - 0 - HB2 GLU 128 - HE3 LYS 43 lone 0 100 - 0 - HB ILE 7 - HE2 LYS 43 lone 0 89 - 0 - HB ILE 7 - HE3 LYS 73 lone 0 93 - 0 - HB2 LYS 49 - HE2 LYS 40 lone 0 93 - 0 - HB2 GLU 128 - HE2 LYS 73 lone 0 93 - 0 - HB2 GLU 128 - HE2 LYS 43 lone 0 97 - 0 - HB ILE 71 - HE3 LYS 40 lone 0 84 - 0 - HB ILE 7 - HE2 LYS 73 lone 0 84 - 0 - HB2 LYS 49 - HE2 LYS 20 lone 0 78 - 0 - HB2 LYS 49 - HE3 LYS 20 lone 0 78 - 0 - HB2 LYS 49 - HE3 LYS 40 lone 0 86 - 0 - HB ILE 7 - HE2 LYS 40 lone 0 84 - 0 - HB2 GLU 128 - HE2 LYS 20 lone 0 78 - 0 - HB2 GLU 128 - HE3 LYS 20 lone 0 78 - 0 - HG LEU 45 - HE2 LYS 39 lone 0 58 - 1 - HB ILE 15 - HE2 LYS 40 lone 0 70 - 0 - HB ILE 7 - HE3 LYS 40 lone 0 77 - 0 - HB ILE 15 - HE3 LYS 43 lone 0 81 - 0 - HG LEU 45 - HE3 LYS 39 lone 0 55 - 1 - HB ILE 7 - HE3 LYS 20 lone 0 69 - 0 - HB ILE 7 - HE2 LYS 20 lone 0 69 - 0 - HB ILE 15 - HE2 LYS 39 lone 0 77 - 0 - HB ILE 15 - HE2 LYS 43 lone 0 75 - 0 - HB2 LEU 81 - HE3 LYS 43 lone 0 65 - 0 - HB ILE 15 - HE3 LYS 40 lone 0 64 - 0 - HG LEU 45 - HE2 LYS 40 lone 0 52 - 0 - HB ILE 15 - HE3 LYS 39 lone 0 73 - 0 - HG2 MET 121 - HE3 LYS 43 lone 0 73 - 0 - HB2 LEU 81 - HE3 LYS 73 lone 0 65 - 0 - HG2 MET 121 - HE2 LYS 39 lone 0 70 - 0 - HB2 LEU 81 - HE2 LYS 43 lone 0 61 - 0 - HG2 MET 121 - HE3 LYS 73 lone 0 73 - 0 - HG LEU 45 - HE3 LYS 40 lone 0 47 - 0 - HG2 MET 121 - HE2 LYS 43 lone 0 68 - 0 - HG2 MET 121 - HE3 LYS 39 lone 0 66 - 0 - HG2 MET 121 - HE2 LYS 40 lone 0 63 - 0 - HB2 LEU 81 - HE2 LYS 40 lone 0 56 - 0 - HB2 LEU 81 - HE2 LYS 73 lone 0 56 - 0 - HG2 MET 121 - HE2 LYS 73 lone 0 63 - 0 - HB ILE 15 - HE3 LYS 20 lone 0 56 - 0 - HB ILE 15 - HE2 LYS 20 lone 0 56 - 0 - HG2 MET 121 - HE3 LYS 40 lone 0 57 - 0 - HB2 LEU 81 - HE3 LYS 40 lone 0 50 - 0 - HG2 MET 121 - HE2 LYS 20 lone 0 50 - 0 - HG2 MET 121 - HE3 LYS 20 lone 0 50 - 0 - HB2 LEU 81 - HE2 LYS 20 lone 0 44 - 0 - HB2 LEU 81 - HE3 LYS 20 lone 0 44 - 0 - Peak 3894 from cnoeabs.peaks (1.51, 2.98, 41.78 ppm; 3.00 A): 4 out of 110 assignments used, quality = 0.99: * HG2 LYS 43 + HE3 LYS 43 OK 79 100 - 79 - 3.9=45, 3846/3.0=8...(21) HG2 LYS 43 + HE2 LYS 43 OK 78 97 - 80 - 3.9=45, 3846/3.0=8...(21) HG2 LYS 20 + HE3 LYS 20 OK 55 72 - 76 - 3.9=46, 3068/3.0=7...(15) HG2 LYS 20 + HE2 LYS 20 OK 55 72 - 76 - 3.9=46, 3068/3.0=7...(15) HG2 LYS 20 - HE3 LYS 43 OK 28 97 - 30 - 3070=3, 3070/1.8=2...(8) HG2 LYS 20 - HE2 LYS 43 OK 27 93 - 30 - 3071/1.8=3, 3071=2...(8) HG2 LYS 20 - HE3 LYS 73 OK 24 96 - 25 - 3070=2, 3068/2.9=2...(7) HG2 LYS 20 - HE2 LYS 73 OK 22 88 - 26 - 3071/1.8=2, 3068/2.9=2...(7) HG2 LYS 43 - HE3 LYS 73 OK 21 100 - 21 - 3848=2, 3848/1.8=2...(5) HG2 LYS 43 - HE2 LYS 73 OK 21 93 - 23 - 3848=2, 3848/1.8=2...(5) HG2 LYS 43 - HE3 LYS 20 OK 16 78 - 21 - 3849=2, 3847/3.0=2...(5) HG2 LYS 43 - HE2 LYS 20 OK 16 78 - 21 - 3849=2, 3847/3.0=2...(5) HG2 LYS 43 - HE2 LYS 40 OK 14 93 - 15 - 3849=1, 3849/1.8=1 HG2 LYS 43 - HE3 LYS 40 OK 13 87 - 15 - 3849=1, 3849/1.8=1 HG2 LYS 20 - HE2 LYS 40 OK 13 88 - 15 - 3070/1.8=2, 3070=2...(5) HG2 LYS 20 - HE3 LYS 40 OK 12 81 - 15 - 3070=2, 3071/1.8=2, 1.8/3081=1 HG LEU 38 - HE2 LYS 39 lone 8 93 - 9 - 9376/6.6=4, 3540/3.6=3 HG LEU 38 - HE3 LYS 39 lone 8 89 - 9 - 9376/6.6=4, 3540/3.6=3 HG2 LYS 43 - HE2 LYS 39 lone 5 99 - 5 - HG2 LYS 43 - HE3 LYS 39 lone 5 96 - 5 - HG2 LYS 20 - HE2 LYS 39 lone 3 94 - 3 - HG2 LYS 20 - HE3 LYS 39 lone 3 90 - 3 - QB ALA 124 - HE3 LYS 43 lone 1 94 - 1 - QB ALA 124 - HE2 LYS 43 lone 1 89 - 1 - QB ALA 124 - HE3 LYS 73 lone 1 93 - 1 - HD3 LYS 17 - HE3 LYS 20 lone 1 76 - 1 - HD3 LYS 17 - HE2 LYS 20 lone 1 76 - 1 - QB ALA 124 - HE2 LYS 73 lone 1 84 - 1 - HG LEU 38 - HE3 LYS 43 lone 1 96 - 1 - HG LEU 38 - HE2 LYS 43 lone 1 91 - 1 - HG LEU 38 - HE2 LYS 40 lone 1 86 - 1 - QB ALA 124 - HE3 LYS 20 lone 1 69 - 1 - QB ALA 124 - HE2 LYS 20 lone 1 69 - 1 - HB2 LEU 6 - HE3 LYS 43 lone 1 99 - 1 - HD3 LYS 17 - HE3 LYS 43 lone 1 99 - 1 - HD3 LYS 17 - HE2 LYS 43 lone 1 96 - 1 - HB2 LEU 6 - HE2 LYS 43 lone 1 95 - 1 - HB3 LEU 14 - HE3 LYS 43 lone 1 77 - 1 - HB3 LEU 14 - HE3 LYS 20 lone 1 53 - 1 - HB3 LEU 14 - HE2 LYS 20 lone 1 53 - 1 - HG LEU 6 - HE2 LYS 39 lone 1 94 - 1 - HD3 LYS 17 - HE2 LYS 40 lone 1 92 - 1 - HB3 LEU 14 - HE2 LYS 43 lone 1 72 - 1 - HB2 LEU 6 - HE2 LYS 20 lone 1 75 - 1 - HB2 LEU 6 - HE3 LYS 20 lone 1 75 - 1 - HG LEU 6 - HE3 LYS 39 lone 1 90 - 1 - HG LEU 38 - HE3 LYS 40 lone 1 79 - 1 - HD3 LYS 17 - HE3 LYS 40 lone 1 85 - 1 - HB2 LEU 6 - HE3 LYS 73 lone 1 98 - 1 - HB2 LEU 6 - HE2 LYS 73 lone 0 91 - 1 - HG LEU 6 - HE3 LYS 43 lone 0 97 - 0 - HG LEU 38 - HE3 LYS 73 lone 0 95 - 0 - HG LEU 38 - HE3 LYS 20 lone 0 71 - 1 - HG LEU 38 - HE2 LYS 20 lone 0 71 - 1 - HG LEU 6 - HE2 LYS 43 lone 0 93 - 0 - HD3 LYS 17 - HE3 LYS 73 lone 0 99 - 0 - HG LEU 38 - HE2 LYS 73 lone 0 86 - 0 - HD3 LYS 17 - HE2 LYS 73 lone 0 92 - 0 - HB2 LEU 6 - HE2 LYS 39 lone 0 97 - 0 - HB2 LEU 6 - HE3 LYS 39 lone 0 93 - 0 - HG LEU 6 - HE2 LYS 20 lone 0 72 - 1 - HG LEU 6 - HE3 LYS 20 lone 0 72 - 1 - HB3 ARG 30 - HE3 LYS 43 lone 0 100 - 0 - HB2 LYS 61 - HE3 LYS 43 lone 0 99 - 0 - HB3 ARG 30 - HE2 LYS 43 lone 0 97 - 0 - HG LEU 6 - HE3 LYS 73 lone 0 96 - 0 - HD3 LYS 17 - HE2 LYS 39 lone 0 97 - 0 - HB2 LYS 61 - HE2 LYS 43 lone 0 96 - 0 - HD3 LYS 17 - HE3 LYS 39 lone 0 94 - 0 - HB3 LEU 14 - HE2 LYS 39 lone 0 74 - 0 - HG LEU 6 - HE2 LYS 73 lone 0 88 - 0 - HB3 LEU 14 - HE3 LYS 39 lone 0 70 - 0 - HB3 ARG 30 - HE3 LYS 73 lone 0 100 - 0 - HB3 ARG 30 - HE2 LYS 39 lone 0 99 - 0 - HB2 LYS 61 - HE3 LYS 73 lone 0 99 - 0 - HB2 LEU 6 - HE2 LYS 40 lone 0 91 - 0 - HB3 ARG 30 - HE3 LYS 39 lone 0 96 - 0 - HB3 ARG 30 - HE2 LYS 73 lone 0 93 - 0 - HB2 LYS 61 - HE2 LYS 39 lone 0 97 - 0 - HB3 ARG 30 - HE2 LYS 20 lone 0 78 - 0 - HB3 ARG 30 - HE3 LYS 20 lone 0 78 - 0 - QB ALA 124 - HE2 LYS 39 lone 0 91 - 0 - HB2 LYS 61 - HE2 LYS 73 lone 0 92 - 0 - HB2 LYS 61 - HE3 LYS 20 lone 0 76 - 0 - HB2 LYS 61 - HE2 LYS 20 lone 0 76 - 0 - HB2 LEU 6 - HE3 LYS 40 lone 0 84 - 0 - HB3 LEU 14 - HE3 LYS 73 lone 0 76 - 0 - HB2 LYS 61 - HE3 LYS 39 lone 0 94 - 0 - HG2 ARG 30 - HE3 LYS 43 lone 0 73 - 0 - QB ALA 124 - HE3 LYS 39 lone 0 87 - 0 - HB3 ARG 30 - HE2 LYS 40 lone 0 93 - 0 - QB ALA 124 - HE2 LYS 40 lone 0 84 - 0 - HB2 LYS 61 - HE2 LYS 40 lone 0 92 - 0 - HG2 ARG 30 - HE2 LYS 43 lone 0 68 - 0 - HG LEU 6 - HE2 LYS 40 lone 0 88 - 0 - HB3 LEU 14 - HE2 LYS 73 lone 0 67 - 0 - HB3 ARG 30 - HE3 LYS 40 lone 0 87 - 0 - HG2 ARG 30 - HE3 LYS 73 lone 0 73 - 0 - QB ALA 124 - HE3 LYS 40 lone 0 77 - 0 - HB2 LYS 61 - HE3 LYS 40 lone 0 85 - 0 - HG LEU 6 - HE3 LYS 40 lone 0 81 - 0 - HB3 LEU 14 - HE2 LYS 40 lone 0 67 - 0 - HG2 ARG 30 - HE2 LYS 39 lone 0 70 - 0 - HB3 LEU 14 - HE3 LYS 40 lone 0 61 - 0 - HG2 ARG 30 - HE2 LYS 73 lone 0 63 - 0 - HG2 ARG 30 - HE3 LYS 39 lone 0 66 - 0 - HG2 ARG 30 - HE3 LYS 20 lone 0 50 - 0 - HG2 ARG 30 - HE2 LYS 20 lone 0 50 - 0 - HG2 ARG 30 - HE2 LYS 40 lone 0 63 - 0 - HG2 ARG 30 - HE3 LYS 40 lone 0 57 - 0 - Peak 3895 from cnoeabs.peaks (1.37, 2.98, 41.78 ppm; 2.97 A): 4 out of 70 assignments used, quality = 0.99: * HG3 LYS 43 + HE3 LYS 43 OK 75 100 - 75 - 3.9=44, 1.8/3884=6...(19) HG3 LYS 43 + HE2 LYS 43 OK 75 97 - 77 - 3.9=44, 1.8/3884=6...(21) HG2 LYS 40 + HE2 LYS 40 OK 68 84 - 81 - 3.9=43, 1.8/3723=7...(39) HG2 LYS 40 + HE3 LYS 40 OK 63 77 - 81 - 3.9=43, 1.8/3723=7...(40) HG2 LYS 40 - HE3 LYS 43 OK 24 94 - 25 - 1.8/3696=2, 3686=2...(8) HG2 LYS 40 - HE2 LYS 43 OK 23 89 - 27 - 1.8/3696=2, ~3696=1...(9) HG3 LYS 43 - HE3 LYS 73 OK 20 100 - 20 - 1.8/3848=2, ~3848=1...(6) HG3 LYS 43 - HE2 LYS 73 OK 20 93 - 21 - 1.8/3848=2, 3858=1...(6) HG3 LYS 43 - HE2 LYS 20 OK 15 78 - 19 - 1.8/3849=2, ~3849=1, 3859=1 HG3 LYS 43 - HE3 LYS 20 OK 15 78 - 19 - 1.8/3849=2, ~3849=1, 3859=1 HG2 LYS 40 - HE3 LYS 20 OK 15 69 - 22 - 1.8/3696=2, 3686=1...(8) HG2 LYS 40 - HE2 LYS 20 OK 15 69 - 22 - 1.8/3696=2, 3686=1...(8) HG2 LYS 40 - HE2 LYS 73 OK 13 84 - 16 - 1.8/3696=1 HG2 LYS 40 - HE3 LYS 73 OK 13 93 - 14 - 1.8/3696=1 HG3 LYS 43 - HE2 LYS 40 OK 13 93 - 14 - 1.8/3849=1 HG3 LYS 43 - HE3 LYS 40 OK 12 87 - 14 - 1.8/3849=1 HG2 LYS 40 - HE2 LYS 39 OK 11 91 - 12 - 1.8/3696=1 HG2 LYS 40 - HE3 LYS 39 OK 11 87 - 12 - HG3 LYS 43 - HE2 LYS 39 lone 4 99 - 4 - HG3 LYS 43 - HE3 LYS 39 lone 4 96 - 4 - HG2 LYS 94 - HE3 LYS 43 lone 2 100 - 2 - HG2 LYS 94 - HE2 LYS 43 lone 2 97 - 2 - HB3 LEU 68 - HE3 LYS 73 lone 1 89 - 1 - HB3 LEU 68 - HE2 LYS 73 lone 1 79 - 1 - HB3 LEU 68 - HE3 LYS 43 lone 1 90 - 1 - HG LEU 14 - HE3 LYS 43 lone 1 96 - 1 - HG LEU 14 - HE2 LYS 43 lone 1 91 - 1 - HB3 LEU 68 - HE2 LYS 43 lone 1 84 - 1 - HB3 LEU 81 - HE2 LYS 39 lone 1 77 - 1 - HB3 LEU 81 - HE3 LYS 39 lone 1 73 - 1 - HG2 LYS 94 - HE2 LYS 40 lone 0 93 - 1 - HG2 LYS 94 - HE3 LYS 40 lone 0 87 - 1 - HB3 LEU 68 - HE2 LYS 20 lone 0 64 - 1 - HB3 LEU 68 - HE3 LYS 20 lone 0 64 - 1 - HB3 LEU 68 - HE2 LYS 40 lone 0 79 - 0 - HG2 LYS 94 - HE3 LYS 73 lone 0 100 - 0 - HG2 LYS 94 - HE2 LYS 73 lone 0 93 - 0 - HG LEU 14 - HE2 LYS 20 lone 0 71 - 0 - HG LEU 14 - HE3 LYS 20 lone 0 71 - 0 - HB3 LEU 68 - HE3 LYS 40 lone 0 72 - 0 - HG2 LYS 94 - HE3 LYS 20 lone 0 78 - 0 - HG2 LYS 94 - HE2 LYS 20 lone 0 78 - 0 - HG2 LYS 94 - HE2 LYS 39 lone 0 99 - 0 - HG LEU 14 - HE2 LYS 40 lone 0 86 - 0 - HG2 LYS 94 - HE3 LYS 39 lone 0 96 - 0 - HB3 LEU 68 - HE2 LYS 39 lone 0 86 - 0 - HG LEU 14 - HE3 LYS 40 lone 0 79 - 0 - HB3 LEU 68 - HE3 LYS 39 lone 0 82 - 0 - HG LEU 14 - HE3 LYS 73 lone 0 95 - 0 - HB3 LEU 81 - HE3 LYS 43 lone 0 81 - 0 - HG LEU 14 - HE2 LYS 39 lone 0 93 - 0 - HG2 LYS 77 - HE2 LYS 39 lone 0 74 - 0 - HG LEU 14 - HE2 LYS 73 lone 0 86 - 0 - HG LEU 14 - HE3 LYS 39 lone 0 89 - 0 - HB3 LEU 81 - HE2 LYS 43 lone 0 75 - 0 - HG2 LYS 77 - HE3 LYS 39 lone 0 70 - 0 - HG2 LYS 77 - HE3 LYS 43 lone 0 77 - 0 - HB3 LEU 81 - HE3 LYS 73 lone 0 80 - 0 - HG2 LYS 77 - HE2 LYS 43 lone 0 72 - 0 - HG2 LYS 77 - HE3 LYS 73 lone 0 76 - 0 - HG2 LYS 77 - HE2 LYS 40 lone 0 67 - 0 - HB3 LEU 81 - HE2 LYS 73 lone 0 70 - 0 - HB3 LEU 81 - HE2 LYS 40 lone 0 70 - 0 - HG2 LYS 77 - HE3 LYS 40 lone 0 61 - 0 - HG2 LYS 77 - HE2 LYS 73 lone 0 67 - 0 - HB3 LEU 81 - HE3 LYS 40 lone 0 64 - 0 - HB3 LEU 81 - HE3 LYS 20 lone 0 56 - 0 - HB3 LEU 81 - HE2 LYS 20 lone 0 56 - 0 - HG2 LYS 77 - HE3 LYS 20 lone 0 53 - 0 - HG2 LYS 77 - HE2 LYS 20 lone 0 53 - 0 - Peak 3896 from cnoeabs.peaks (1.68, 2.98, 41.78 ppm; 2.40 A): 16 out of 180 assignments used, quality = 1.00: HD3 LYS 73 + HE3 LYS 73 OK 69 98 - 70 - 2.9=56, 3.0/5207=4...(14) HD2 LYS 73 + HE3 LYS 73 OK 68 98 - 70 - 2.9=56, 3.0/5207=4...(14) * HD2 LYS 43 + HE3 LYS 43 OK 67 100 - 67 - 3.0=52, 3846/3.9=3...(11) HD2 LYS 43 + HE2 LYS 43 OK 66 97 - 68 - 3.0=52, 3846/3.9=3...(11) HD3 LYS 43 + HE3 LYS 43 OK 66 99 - 67 - 3.0=52, 3846/3.9=3...(11) HD3 LYS 40 + HE2 LYS 40 OK 65 93 - 70 - 3.0=53, 3717/1.8=4...(18) HD2 LYS 40 + HE2 LYS 40 OK 65 92 - 70 - 3.0=53, 3717/1.8=4...(18) HD3 LYS 43 + HE2 LYS 43 OK 64 95 - 68 - 3.0=52, 3846/3.9=3...(11) HD3 LYS 73 + HE2 LYS 73 OK 64 91 - 71 - 2.9=56, 3.0/5207=4...(14) HD2 LYS 73 + HE2 LYS 73 OK 63 89 - 71 - 2.9=56, 3.0/5207=4...(14) HD3 LYS 40 + HE3 LYS 40 OK 61 86 - 70 - 3.0=53, 3717/1.8=4...(18) HD2 LYS 40 + HE3 LYS 40 OK 60 86 - 70 - 3.0=53, 3717/1.8=4...(18) HD3 LYS 20 + HE3 LYS 20 OK 49 71 - 69 - 3.0=52, 3.0/3070=3...(13) HD3 LYS 20 + HE2 LYS 20 OK 49 71 - 69 - 3.0=52, 3.0/3070=3...(13) HD2 LYS 20 + HE3 LYS 20 OK 47 69 - 69 - 3.0=52, 3.0/3071=3...(13) HD2 LYS 20 + HE2 LYS 20 OK 47 69 - 69 - 3.0=52, 3.0/3071=3...(13) HD3 LYS 20 - HE2 LYS 43 OK 15 91 - 17 - HD2 LYS 20 - HE2 LYS 43 OK 15 89 - 17 - HD3 LYS 20 - HE3 LYS 43 OK 15 96 - 16 - 3.0/3070=1 HD2 LYS 20 - HE3 LYS 43 OK 14 94 - 15 - 3.0/3070=1 HD3 LYS 20 - HE3 LYS 73 OK 14 95 - 15 - HD2 LYS 20 - HE3 LYS 73 OK 14 93 - 15 - HD3 LYS 20 - HE2 LYS 73 OK 14 86 - 16 - HD2 LYS 20 - HE2 LYS 73 OK 13 84 - 16 - HD3 LYS 73 - HE3 LYS 43 OK 12 99 - 12 - 3.0/5172=1, 3.0/5207=1 HD3 LYS 73 - HE2 LYS 43 OK 12 95 - 13 - 3.0/5207=1, 3.0/5171=1 HD2 LYS 73 - HE3 LYS 43 OK 12 98 - 12 - 3.0/5172=1, 3.0/5207=1 HD2 LYS 73 - HE2 LYS 43 OK 12 94 - 13 - 3.0/5207=1, 3.0/5171=1 HD2 LYS 16 - HE2 LYS 40 OK 12 88 - 14 - 3695/3.9=1 HD3 LYS 40 - HE3 LYS 43 OK 11 100 - 11 - 2.9/3696=1 HD3 LYS 40 - HE2 LYS 43 OK 11 97 - 12 - HD2 LYS 40 - HE3 LYS 43 OK 11 100 - 11 - 2.9/3696=1 HD2 LYS 40 - HE2 LYS 43 OK 11 97 - 12 - HD3 LYS 16 - HE2 LYS 40 OK 11 82 - 13 - 3694/3.9=1 HD2 LYS 16 - HE3 LYS 40 OK 10 81 - 13 - 3695/3.9=1 HD2 LYS 43 - HE3 LYS 73 poor 10 100 - 10 - HD3 LYS 43 - HE3 LYS 73 poor 10 98 - 10 - HD2 LYS 43 - HE2 LYS 73 poor 10 93 - 11 - HD3 LYS 43 - HE2 LYS 73 poor 10 91 - 11 - HD3 LYS 16 - HE3 LYS 40 poor 9 75 - 13 - 3694/3.9=1 HD3 LYS 40 - HE2 LYS 20 poor 8 78 - 11 - HD3 LYS 40 - HE3 LYS 20 poor 8 78 - 11 - HD2 LYS 40 - HE3 LYS 20 poor 8 77 - 11 - HD2 LYS 40 - HE2 LYS 20 poor 8 77 - 11 - HD3 LYS 20 - HE2 LYS 40 lone 8 86 - 9 - HD2 LYS 20 - HE2 LYS 40 lone 8 84 - 9 - HD2 LYS 43 - HE2 LYS 40 lone 8 93 - 8 - HD3 LYS 20 - HE3 LYS 40 lone 7 79 - 9 - HD3 LYS 73 - HE3 LYS 20 lone 7 75 - 10 - HD3 LYS 73 - HE2 LYS 20 lone 7 75 - 10 - HD2 LYS 43 - HE2 LYS 20 lone 7 78 - 10 - HD2 LYS 43 - HE3 LYS 20 lone 7 78 - 10 - HD2 LYS 73 - HE2 LYS 20 lone 7 74 - 10 - HD2 LYS 73 - HE3 LYS 20 lone 7 74 - 10 - HD2 LYS 20 - HE3 LYS 40 lone 7 77 - 9 - HD3 LYS 43 - HE2 LYS 40 lone 7 91 - 8 - HD3 LYS 43 - HE2 LYS 20 lone 7 75 - 10 - HD3 LYS 43 - HE3 LYS 20 lone 7 75 - 10 - HD2 LYS 43 - HE3 LYS 40 lone 7 87 - 8 - HD3 LYS 43 - HE3 LYS 40 lone 7 84 - 8 - HD3 LYS 40 - HE3 LYS 73 lone 7 100 - 6 - HD2 LYS 40 - HE3 LYS 73 lone 7 99 - 6 - HD3 LYS 40 - HE2 LYS 73 lone 7 93 - 7 - HD2 LYS 40 - HE2 LYS 73 lone 6 92 - 7 - HD2 LYS 96 - HE3 LYS 73 lone 6 100 - 6 - HD3 LYS 96 - HE3 LYS 73 lone 6 99 - 6 - HD2 LYS 96 - HE2 LYS 73 lone 6 93 - 6 - HD3 LYS 96 - HE2 LYS 73 lone 6 92 - 6 - HD2 LYS 96 - HE3 LYS 43 lone 5 100 - 5 - HD3 LYS 96 - HE3 LYS 43 lone 5 99 - 5 - HD2 LYS 96 - HE2 LYS 43 lone 5 97 - 5 - HD3 LYS 96 - HE2 LYS 43 lone 5 96 - 5 - HD3 LYS 40 - HE2 LYS 39 lone 5 98 - 5 - HD2 LYS 40 - HE2 LYS 39 lone 5 98 - 5 - HD3 LYS 40 - HE3 LYS 39 lone 5 95 - 5 - HD2 LYS 40 - HE3 LYS 39 lone 5 95 - 5 - HD2 LYS 96 - HE2 LYS 20 lone 4 78 - 6 - HD2 LYS 96 - HE3 LYS 20 lone 4 78 - 6 - HD3 LYS 96 - HE2 LYS 20 lone 4 76 - 6 - HD3 LYS 96 - HE3 LYS 20 lone 4 76 - 6 - HD3 LYS 73 - HE2 LYS 40 lone 4 91 - 4 - HD2 LYS 73 - HE2 LYS 40 lone 4 89 - 4 - HD3 LYS 73 - HE3 LYS 40 lone 4 84 - 4 - HD2 LYS 73 - HE3 LYS 40 lone 4 83 - 4 - HD2 LYS 96 - HE2 LYS 40 lone 3 93 - 4 - HD3 LYS 96 - HE2 LYS 40 lone 3 92 - 4 - HD2 LYS 96 - HE3 LYS 40 lone 3 86 - 4 - HD3 LYS 96 - HE3 LYS 40 lone 3 85 - 4 - HD2 LYS 96 - HE2 LYS 39 lone 3 98 - 3 - HD3 LYS 96 - HE2 LYS 39 lone 2 97 - 3 - HD3 LYS 73 - HE2 LYS 39 lone 2 97 - 2 - HD2 LYS 73 - HE2 LYS 39 lone 2 96 - 2 - HD2 LYS 96 - HE3 LYS 39 lone 2 95 - 3 - HD3 LYS 73 - HE3 LYS 39 lone 2 93 - 2 - HD3 LYS 96 - HE3 LYS 39 lone 2 94 - 3 - HD2 LYS 73 - HE3 LYS 39 lone 2 92 - 2 - HD2 LYS 43 - HE2 LYS 39 lone 2 99 - 2 - HD2 LYS 43 - HE3 LYS 39 lone 2 96 - 2 - HD3 LYS 43 - HE2 LYS 39 lone 2 97 - 2 - HD3 LYS 43 - HE3 LYS 39 lone 2 93 - 2 - HD3 LYS 20 - HE2 LYS 39 lone 2 93 - 2 - HD2 LYS 20 - HE2 LYS 39 lone 2 91 - 2 - HD3 LYS 20 - HE3 LYS 39 lone 2 89 - 2 - HD2 LYS 20 - HE3 LYS 39 lone 2 87 - 2 - HD2 LYS 16 - HE2 LYS 20 lone 2 72 - 2 - HD2 LYS 16 - HE3 LYS 20 lone 2 72 - 2 - HD3 LYS 16 - HE3 LYS 20 lone 1 66 - 2 - HD3 LYS 16 - HE2 LYS 20 lone 1 66 - 2 - HD2 LYS 16 - HE3 LYS 73 lone 1 96 - 1 - HD2 LYS 16 - HE2 LYS 73 lone 1 88 - 1 - HD3 LYS 16 - HE3 LYS 73 lone 1 91 - 1 - HD3 LYS 16 - HE2 LYS 73 lone 1 82 - 1 - HD2 LYS 17 - HE2 LYS 40 lone 1 93 - 1 - HG3 ARG 95 - HE2 LYS 40 lone 1 92 - 1 - HD2 LYS 16 - HE3 LYS 43 lone 1 97 - 1 - HD2 LYS 17 - HE3 LYS 40 lone 1 86 - 1 - HD2 LYS 16 - HE2 LYS 43 lone 1 93 - 1 - HG3 ARG 95 - HE3 LYS 40 lone 1 86 - 1 - HD3 LYS 16 - HE3 LYS 43 lone 1 92 - 1 - HG3 ARG 95 - HE3 LYS 73 lone 1 99 - 1 - HD3 LYS 16 - HE2 LYS 43 lone 1 87 - 1 - HG3 ARG 95 - HE3 LYS 43 lone 1 100 - 1 - HG3 ARG 95 - HE2 LYS 73 lone 1 92 - 1 - HG3 ARG 95 - HE2 LYS 43 lone 1 97 - 1 - HD2 LYS 17 - HE2 LYS 20 lone 1 78 - 1 - HD2 LYS 17 - HE3 LYS 20 lone 1 78 - 1 - HG3 ARG 95 - HE2 LYS 20 lone 1 77 - 1 - HG3 ARG 95 - HE3 LYS 20 lone 1 77 - 1 - HD2 LYS 16 - HE2 LYS 39 lone 1 94 - 1 - HD2 LYS 16 - HE3 LYS 39 lone 1 90 - 1 - HD3 LYS 16 - HE2 LYS 39 lone 1 89 - 1 - HD2 LYS 17 - HE2 LYS 43 lone 0 97 - 1 - HD2 LYS 17 - HE3 LYS 43 lone 0 100 - 0 - HD3 LYS 16 - HE3 LYS 39 lone 0 84 - 1 - HG12 ILE 71 - HE3 LYS 73 lone 0 76 - 1 - HG12 ILE 71 - HE2 LYS 73 lone 0 67 - 1 - HD2 LYS 17 - HE3 LYS 73 lone 0 100 - 0 - HD2 LYS 17 - HE2 LYS 73 lone 0 93 - 0 - HG3 ARG 95 - HE2 LYS 39 lone 0 98 - 0 - HG3 ARG 95 - HE3 LYS 39 lone 0 95 - 0 - HD2 LYS 17 - HE2 LYS 39 lone 0 98 - 0 - HD2 LYS 17 - HE3 LYS 39 lone 0 95 - 0 - HB ILE 54 - HE2 LYS 40 lone 0 92 - 0 - HB ILE 54 - HE3 LYS 40 lone 0 86 - 0 - HB ILE 54 - HE3 LYS 73 lone 0 99 - 0 - HB ILE 56 - HE3 LYS 43 lone 0 92 - 0 - HB ILE 54 - HE3 LYS 43 lone 0 100 - 0 - HB ILE 54 - HE2 LYS 39 lone 0 98 - 0 - HB ILE 56 - HE2 LYS 43 lone 0 87 - 0 - HB ILE 54 - HE2 LYS 73 lone 0 92 - 0 - HB ILE 54 - HE2 LYS 43 lone 0 97 - 0 - HB ILE 54 - HE3 LYS 39 lone 0 95 - 0 - HB ILE 54 - HE3 LYS 20 lone 0 77 - 0 - HB ILE 54 - HE2 LYS 20 lone 0 77 - 0 - HG12 ILE 71 - HE3 LYS 43 lone 0 77 - 0 - HB ILE 56 - HE3 LYS 73 lone 0 91 - 0 - HG12 ILE 71 - HE2 LYS 43 lone 0 72 - 0 - HB ILE 56 - HE2 LYS 20 lone 0 66 - 0 - HB ILE 56 - HE3 LYS 20 lone 0 66 - 0 - HB ILE 56 - HE2 LYS 73 lone 0 82 - 0 - HG12 ILE 71 - HE2 LYS 39 lone 0 74 - 0 - HD3 LYS 115 - HE2 LYS 40 lone 0 52 - 0 - HB ILE 56 - HE2 LYS 40 lone 0 82 - 0 - HB ILE 56 - HE2 LYS 39 lone 0 89 - 0 - HG12 ILE 71 - HE3 LYS 39 lone 0 70 - 0 - HB ILE 56 - HE3 LYS 39 lone 0 84 - 0 - HB ILE 56 - HE3 LYS 40 lone 0 75 - 0 - HG12 ILE 71 - HE2 LYS 40 lone 0 67 - 0 - HG12 ILE 71 - HE3 LYS 20 lone 0 53 - 0 - HG12 ILE 71 - HE2 LYS 20 lone 0 53 - 0 - HD3 LYS 115 - HE3 LYS 43 lone 0 61 - 0 - HD3 LYS 115 - HE3 LYS 73 lone 0 61 - 0 - HD3 LYS 115 - HE2 LYS 39 lone 0 58 - 0 - HD3 LYS 115 - HE2 LYS 43 lone 0 57 - 0 - HD3 LYS 115 - HE3 LYS 40 lone 0 47 - 0 - HG12 ILE 71 - HE3 LYS 40 lone 0 61 - 0 - HD3 LYS 115 - HE3 LYS 39 lone 0 55 - 0 - HD3 LYS 115 - HE2 LYS 73 lone 0 52 - 0 - HD3 LYS 115 - HE2 LYS 20 lone 0 41 - 0 - HD3 LYS 115 - HE3 LYS 20 lone 0 41 - 0 - Peak 3897 from cnoeabs.peaks (1.68, 2.98, 41.78 ppm; 2.40 A): 16 out of 210 assignments used, quality = 1.00: HD3 LYS 73 + HE3 LYS 73 OK 70 100 - 70 - 2.9=56, 3.0/5207=4...(14) HD2 LYS 73 + HE3 LYS 73 OK 70 100 - 70 - 2.9=56, 3.0/5207=4...(14) * HD3 LYS 43 + HE3 LYS 43 OK 67 100 - 67 - 3.0=52, 3846/3.9=3...(11) HD2 LYS 43 + HE3 LYS 43 OK 66 99 - 67 - 3.0=52, 3846/3.9=3...(11) HD3 LYS 73 + HE2 LYS 73 OK 66 93 - 71 - 2.9=56, 3.0/5207=4...(14) HD2 LYS 73 + HE2 LYS 73 OK 66 93 - 71 - 2.9=56, 3.0/5207=4...(14) HD3 LYS 43 + HE2 LYS 43 OK 66 97 - 68 - 3.0=52, 3846/3.9=3...(11) HD2 LYS 40 + HE2 LYS 40 OK 65 93 - 70 - 3.0=53, 3717/1.8=4...(18) HD3 LYS 40 + HE2 LYS 40 OK 65 92 - 70 - 3.0=53, 3717/1.8=4...(18) HD2 LYS 43 + HE2 LYS 43 OK 64 95 - 68 - 3.0=52, 3846/3.9=3...(11) HD2 LYS 40 + HE3 LYS 40 OK 61 86 - 70 - 3.0=53, 3717/1.8=4...(18) HD3 LYS 40 + HE3 LYS 40 OK 60 86 - 70 - 3.0=53, 3717/1.8=4...(18) HD3 LYS 20 + HE3 LYS 20 OK 54 77 - 69 - 3.0=52, 3079/3.9=3...(13) HD3 LYS 20 + HE2 LYS 20 OK 54 77 - 69 - 3.0=52, 3079/3.9=3...(13) HD2 LYS 20 + HE3 LYS 20 OK 53 76 - 69 - 3.0=52, 3079/3.9=3...(13) HD2 LYS 20 + HE2 LYS 20 OK 53 76 - 69 - 3.0=52, 3079/3.9=3...(13) HG3 LYS 39 - HE2 LYS 39 OK 41 74 - 56 - 3.6=30, 1.8/3632=5...(16) HG3 LYS 39 - HE3 LYS 39 OK 39 70 - 56 - 3.6=30, 1.8/3632=5...(16) HD3 LYS 20 - HE2 LYS 43 OK 16 97 - 17 - HD2 LYS 20 - HE2 LYS 43 OK 16 96 - 17 - HD3 LYS 20 - HE3 LYS 43 OK 15 100 - 16 - 3.0/3071=1 HD2 LYS 20 - HE3 LYS 43 OK 15 99 - 16 - 3.0/3071=1 HD3 LYS 20 - HE2 LYS 73 OK 15 92 - 16 - HD3 LYS 20 - HE3 LYS 73 OK 15 99 - 15 - HD2 LYS 20 - HE2 LYS 73 OK 15 92 - 16 - HD2 LYS 20 - HE3 LYS 73 OK 14 99 - 15 - HD2 LYS 16 - HE2 LYS 40 OK 12 93 - 14 - 3694/3.9=1 HD3 LYS 73 - HE2 LYS 43 OK 12 97 - 13 - 3.0/5207=1, 3.0/5171=1 HD2 LYS 73 - HE2 LYS 43 OK 12 97 - 13 - 3.0/5207=1, 3.0/5171=1 HD3 LYS 73 - HE3 LYS 43 OK 12 100 - 12 - 3.0/5172=1, 3.0/5207=1 HD2 LYS 73 - HE3 LYS 43 OK 12 100 - 12 - 3.0/5172=1, 3.0/5207=1 HD3 LYS 16 - HE2 LYS 40 OK 12 91 - 13 - 3694/3.9=1 HD2 LYS 40 - HE3 LYS 43 OK 11 100 - 11 - 2.9/3696=1 HD3 LYS 40 - HE3 LYS 43 OK 11 100 - 11 - 2.9/3696=1 HD2 LYS 40 - HE2 LYS 43 OK 11 97 - 12 - HD3 LYS 40 - HE2 LYS 43 OK 11 97 - 12 - HD2 LYS 16 - HE3 LYS 40 OK 11 86 - 13 - 3694/3.9=1 HD3 LYS 16 - HE3 LYS 40 OK 10 84 - 13 - 3694/3.9=1 HD3 LYS 43 - HE3 LYS 73 OK 10 100 - 10 - HD3 LYS 43 - HE2 LYS 73 OK 10 93 - 11 - HD2 LYS 43 - HE3 LYS 73 OK 10 98 - 10 - HD2 LYS 43 - HE2 LYS 73 poor 10 91 - 11 - HD3 LYS 20 - HE2 LYS 40 lone 9 92 - 9 - HD2 LYS 20 - HE2 LYS 40 lone 8 92 - 9 - HD2 LYS 40 - HE3 LYS 20 poor 8 78 - 11 - HD2 LYS 40 - HE2 LYS 20 poor 8 78 - 11 - HD3 LYS 40 - HE3 LYS 20 poor 8 77 - 11 - HD3 LYS 40 - HE2 LYS 20 poor 8 77 - 11 - HD3 LYS 20 - HE3 LYS 40 lone 8 86 - 9 - HD2 LYS 20 - HE3 LYS 40 lone 8 85 - 9 - HD3 LYS 73 - HE2 LYS 20 poor 8 78 - 10 - HD3 LYS 73 - HE3 LYS 20 poor 8 78 - 10 - HD2 LYS 73 - HE2 LYS 20 poor 8 78 - 10 - HD2 LYS 73 - HE3 LYS 20 poor 8 78 - 10 - HD3 LYS 43 - HE3 LYS 20 lone 8 78 - 10 - HD3 LYS 43 - HE2 LYS 20 lone 8 78 - 10 - HD3 LYS 43 - HE2 LYS 40 lone 7 93 - 8 - HD2 LYS 43 - HE2 LYS 40 lone 7 91 - 8 - HD2 LYS 43 - HE3 LYS 20 lone 7 75 - 10 - HD2 LYS 43 - HE2 LYS 20 lone 7 75 - 10 - HD3 LYS 43 - HE3 LYS 40 lone 7 87 - 8 - HD2 LYS 43 - HE3 LYS 40 lone 7 84 - 8 - HD2 LYS 40 - HE3 LYS 73 lone 7 100 - 7 - HD3 LYS 40 - HE3 LYS 73 lone 7 99 - 7 - HD2 LYS 40 - HE2 LYS 73 lone 7 93 - 7 - HD3 LYS 40 - HE2 LYS 73 lone 7 92 - 7 - HD3 LYS 96 - HE3 LYS 73 lone 6 100 - 6 - HD2 LYS 96 - HE3 LYS 73 lone 6 99 - 6 - HD3 LYS 96 - HE2 LYS 73 lone 6 93 - 6 - HD2 LYS 96 - HE2 LYS 73 lone 6 92 - 6 - HD2 LYS 96 - HE3 LYS 43 lone 5 100 - 5 - HD3 LYS 96 - HE3 LYS 43 lone 5 100 - 5 - HD3 LYS 96 - HE2 LYS 43 lone 5 97 - 5 - HD2 LYS 96 - HE2 LYS 43 lone 5 97 - 5 - HD2 LYS 40 - HE2 LYS 39 lone 5 98 - 5 - HD3 LYS 40 - HE2 LYS 39 lone 5 98 - 5 - HD2 LYS 40 - HE3 LYS 39 lone 5 95 - 5 - HD3 LYS 40 - HE3 LYS 39 lone 5 95 - 5 - HD3 LYS 96 - HE2 LYS 20 lone 5 78 - 6 - HD3 LYS 96 - HE3 LYS 20 lone 5 78 - 6 - HD2 LYS 96 - HE2 LYS 20 lone 4 77 - 6 - HD2 LYS 96 - HE3 LYS 20 lone 4 77 - 6 - HD3 LYS 73 - HE2 LYS 40 lone 4 93 - 4 - HD2 LYS 73 - HE2 LYS 40 lone 4 93 - 4 - HD3 LYS 73 - HE3 LYS 40 lone 4 87 - 4 - HD2 LYS 73 - HE3 LYS 40 lone 4 87 - 4 - HD3 LYS 96 - HE2 LYS 40 lone 3 93 - 4 - HD2 LYS 96 - HE2 LYS 40 lone 3 92 - 4 - HD3 LYS 96 - HE3 LYS 40 lone 3 87 - 4 - HG3 LYS 39 - HE2 LYS 40 lone 3 67 - 5 - HD2 LYS 96 - HE3 LYS 40 lone 3 86 - 4 - HG3 LYS 39 - HE3 LYS 43 lone 3 77 - 4 - HG3 LYS 39 - HE2 LYS 43 lone 3 72 - 4 - HD2 LYS 73 - HE2 LYS 39 lone 3 99 - 3 - HD3 LYS 73 - HE2 LYS 39 lone 3 99 - 2 - HD3 LYS 96 - HE2 LYS 39 lone 3 99 - 3 - HD2 LYS 96 - HE2 LYS 39 lone 3 98 - 3 - HG3 LYS 39 - HE3 LYS 40 lone 3 61 - 4 - HD2 LYS 73 - HE3 LYS 39 lone 2 96 - 3 - HD3 LYS 73 - HE3 LYS 39 lone 2 96 - 3 - HD2 LYS 44 - HE2 LYS 39 lone 2 66 - 4 - HD3 LYS 96 - HE3 LYS 39 lone 2 96 - 3 - HD2 LYS 96 - HE3 LYS 39 lone 2 95 - 3 - HD2 LYS 44 - HE3 LYS 39 lone 2 62 - 4 - HD2 LYS 44 - HE3 LYS 43 lone 2 70 - 3 - HD2 LYS 44 - HE3 LYS 73 lone 2 69 - 3 - HD3 LYS 44 - HE2 LYS 39 lone 2 58 - 4 - HD3 LYS 43 - HE2 LYS 39 lone 2 99 - 2 - HD3 LYS 43 - HE3 LYS 39 lone 2 96 - 2 - HD2 LYS 43 - HE2 LYS 39 lone 2 97 - 2 - HD2 LYS 44 - HE2 LYS 43 lone 2 64 - 3 - HD2 LYS 43 - HE3 LYS 39 lone 2 93 - 2 - HD3 LYS 44 - HE3 LYS 39 lone 2 55 - 4 - HD3 LYS 44 - HE3 LYS 43 lone 2 61 - 3 - HD3 LYS 20 - HE2 LYS 39 lone 2 98 - 2 - HD3 LYS 44 - HE3 LYS 73 lone 2 61 - 3 - HD2 LYS 20 - HE2 LYS 39 lone 2 97 - 2 - HD2 LYS 44 - HE2 LYS 73 lone 2 60 - 3 - HD3 LYS 20 - HE3 LYS 39 lone 2 95 - 2 - HD2 LYS 20 - HE3 LYS 39 lone 2 94 - 2 - HD3 LYS 44 - HE2 LYS 43 lone 2 57 - 3 - HD2 LYS 16 - HE3 LYS 20 lone 2 78 - 2 - HD2 LYS 16 - HE2 LYS 20 lone 2 78 - 2 - HD3 LYS 16 - HE3 LYS 20 lone 2 75 - 2 - HD3 LYS 16 - HE2 LYS 20 lone 2 75 - 2 - HD3 LYS 44 - HE2 LYS 73 lone 2 52 - 3 - HG3 LYS 39 - HE3 LYS 73 lone 2 76 - 2 - HG3 LYS 39 - HE2 LYS 73 lone 1 67 - 2 - HD2 LYS 16 - HE3 LYS 73 lone 1 100 - 1 - HD3 LYS 16 - HE3 LYS 73 lone 1 98 - 1 - HD2 LYS 16 - HE2 LYS 73 lone 1 93 - 1 - HG3 LYS 123 - HE2 LYS 39 lone 1 74 - 2 - HD3 LYS 16 - HE2 LYS 73 lone 1 91 - 1 - HG3 LYS 123 - HE3 LYS 39 lone 1 70 - 2 - HD2 LYS 17 - HE2 LYS 40 lone 1 92 - 1 - HD2 LYS 16 - HE3 LYS 43 lone 1 100 - 1 - HD2 LYS 16 - HE2 LYS 43 lone 1 97 - 1 - HD3 LYS 16 - HE3 LYS 43 lone 1 99 - 1 - HD2 LYS 17 - HE3 LYS 40 lone 1 86 - 1 - HD3 LYS 16 - HE2 LYS 43 lone 1 95 - 1 - HG3 ARG 95 - HE2 LYS 40 lone 1 86 - 1 - HG3 ARG 95 - HE3 LYS 40 lone 1 79 - 1 - HG3 ARG 95 - HE3 LYS 73 lone 1 95 - 1 - HG3 ARG 95 - HE3 LYS 43 lone 1 96 - 1 - HG3 ARG 95 - HE2 LYS 73 lone 1 86 - 1 - HD2 LYS 17 - HE3 LYS 20 lone 1 77 - 1 - HD2 LYS 17 - HE2 LYS 20 lone 1 77 - 1 - HG3 ARG 95 - HE2 LYS 43 lone 1 91 - 1 - HG12 ILE 71 - HE3 LYS 73 lone 1 91 - 1 - HD2 LYS 16 - HE2 LYS 39 lone 1 98 - 1 - HD2 LYS 16 - HE3 LYS 39 lone 1 95 - 1 - HD3 LYS 16 - HE2 LYS 39 lone 1 97 - 1 - HD3 LYS 16 - HE3 LYS 39 lone 1 93 - 1 - HG3 ARG 95 - HE3 LYS 20 lone 1 71 - 1 - HG3 ARG 95 - HE2 LYS 20 lone 1 71 - 1 - HG12 ILE 71 - HE2 LYS 73 lone 1 82 - 1 - HG3 LYS 39 - HE2 LYS 20 lone 1 53 - 1 - HG3 LYS 39 - HE3 LYS 20 lone 1 53 - 1 - HD2 LYS 17 - HE2 LYS 43 lone 0 97 - 1 - HD2 LYS 17 - HE3 LYS 43 lone 0 100 - 0 - HD2 LYS 44 - HE2 LYS 20 lone 0 47 - 1 - HD2 LYS 44 - HE3 LYS 20 lone 0 47 - 1 - HD3 LYS 44 - HE3 LYS 20 lone 0 41 - 1 - HD3 LYS 44 - HE2 LYS 20 lone 0 41 - 1 - HD2 LYS 17 - HE3 LYS 73 lone 0 99 - 0 - HG3 LYS 123 - HE2 LYS 40 lone 0 67 - 0 - HD2 LYS 17 - HE2 LYS 73 lone 0 92 - 0 - HG3 LYS 123 - HE3 LYS 43 lone 0 77 - 0 - HD2 LYS 44 - HE2 LYS 40 lone 0 60 - 1 - HG3 LYS 123 - HE2 LYS 43 lone 0 72 - 0 - HG3 ARG 95 - HE2 LYS 39 lone 0 93 - 0 - HD2 LYS 44 - HE3 LYS 40 lone 0 54 - 1 - HG3 LYS 123 - HE3 LYS 40 lone 0 61 - 0 - HD2 LYS 17 - HE2 LYS 39 lone 0 98 - 0 - HG3 ARG 95 - HE3 LYS 39 lone 0 89 - 0 - HG3 LYS 123 - HE3 LYS 73 lone 0 76 - 0 - HD2 LYS 17 - HE3 LYS 39 lone 0 95 - 0 - HG3 LYS 123 - HE2 LYS 73 lone 0 67 - 0 - HD3 LYS 44 - HE2 LYS 40 lone 0 52 - 0 - HB ILE 54 - HE2 LYS 40 lone 0 93 - 0 - HG12 ILE 71 - HE3 LYS 43 lone 0 92 - 0 - HB ILE 56 - HE3 LYS 43 lone 0 99 - 0 - HB ILE 56 - HE3 LYS 20 lone 0 75 - 0 - HB ILE 56 - HE2 LYS 20 lone 0 75 - 0 - HB ILE 56 - HE2 LYS 43 lone 0 95 - 0 - HD3 LYS 44 - HE3 LYS 40 lone 0 47 - 0 - HG12 ILE 71 - HE2 LYS 43 lone 0 87 - 0 - HB ILE 54 - HE3 LYS 73 lone 0 100 - 0 - HB ILE 54 - HE3 LYS 40 lone 0 86 - 0 - HG12 ILE 71 - HE2 LYS 39 lone 0 89 - 0 - HB ILE 54 - HE2 LYS 73 lone 0 93 - 0 - HB ILE 56 - HE3 LYS 73 lone 0 98 - 0 - HB ILE 54 - HE2 LYS 39 lone 0 98 - 0 - HB ILE 54 - HE3 LYS 43 lone 0 100 - 0 - HB ILE 54 - HE3 LYS 20 lone 0 78 - 0 - HB ILE 54 - HE2 LYS 20 lone 0 78 - 0 - HB ILE 54 - HE2 LYS 43 lone 0 97 - 0 - HB ILE 54 - HE3 LYS 39 lone 0 95 - 0 - HG12 ILE 71 - HE3 LYS 39 lone 0 84 - 0 - HG3 LYS 123 - HE3 LYS 20 lone 0 53 - 0 - HG3 LYS 123 - HE2 LYS 20 lone 0 53 - 0 - HB ILE 56 - HE2 LYS 73 lone 0 91 - 0 - HG12 ILE 71 - HE3 LYS 20 lone 0 66 - 0 - HG12 ILE 71 - HE2 LYS 20 lone 0 66 - 0 - HB ILE 56 - HE2 LYS 40 lone 0 91 - 0 - HG12 ILE 71 - HE2 LYS 40 lone 0 82 - 0 - HB ILE 56 - HE2 LYS 39 lone 0 97 - 0 - HB ILE 56 - HE3 LYS 39 lone 0 93 - 0 - HB ILE 56 - HE3 LYS 40 lone 0 84 - 0 - HG12 ILE 71 - HE3 LYS 40 lone 0 75 - 0 - Peak 3898 from cnoeabs.peaks (2.98, 2.98, 41.78 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: HE3 LYS 73 + HE3 LYS 73 OK 99 99 - 100 HE3 LYS 43 + HE3 LYS 43 OK 99 99 - 100 HE2 LYS 39 + HE2 LYS 39 OK 99 99 - 100 HE2 LYS 43 + HE2 LYS 43 OK 97 97 - 100 HE3 LYS 39 + HE3 LYS 39 OK 96 96 - 100 HE2 LYS 73 + HE2 LYS 73 OK 93 93 - 100 HE2 LYS 40 + HE2 LYS 40 OK 76 76 - 100 HE3 LYS 40 + HE3 LYS 40 OK 64 64 - 100 HE2 LYS 20 + HE2 LYS 20 OK 50 50 - 100 HE3 LYS 20 + HE3 LYS 20 OK 50 50 - 100 Reference assignment not found: HE2 LYS 43 - HE3 LYS 43 Peak 3899 from cnoeabs.peaks (2.98, 2.98, 41.78 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: * HE3 LYS 43 + HE3 LYS 43 OK 100 100 - 100 HE3 LYS 73 + HE3 LYS 73 OK 100 100 - 100 HE2 LYS 39 + HE2 LYS 39 OK 97 97 - 100 HE2 LYS 43 + HE2 LYS 43 OK 95 95 - 100 HE3 LYS 39 + HE3 LYS 39 OK 92 92 - 100 HE2 LYS 73 + HE2 LYS 73 OK 88 88 - 100 HE2 LYS 40 + HE2 LYS 40 OK 88 88 - 100 HE3 LYS 40 + HE3 LYS 40 OK 77 77 - 100 HE2 LYS 20 + HE2 LYS 20 OK 64 64 - 100 HE3 LYS 20 + HE3 LYS 20 OK 64 64 - 100 Peak 3900 from cnoeabs.peaks (7.45, 4.06, 59.50 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 44 + HA LYS 44 OK 100 100 - 100 - 3.0=100 Peak 3901 from cnoeabs.peaks (4.06, 4.06, 59.50 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA LYS 44 + HA LYS 44 OK 100 100 - 100 HA GLU 69 + HA GLU 69 OK 89 89 - 100 HA GLU 37 + HA GLU 37 OK 59 59 - 100 Peak 3902 from cnoeabs.peaks (1.91, 4.06, 59.50 ppm; 2.86 A): 2 out of 57 assignments used, quality = 1.00: * HB2 LYS 44 + HA LYS 44 OK 95 100 - 95 - 3.0=88, 2.9/3905=8...(25) HB3 LYS 44 + HA LYS 44 OK 94 99 - 95 - 3.0=88, 2.9/3905=8...(25) HB2 LYS 43 - HA LYS 44 OK 34 99 - 34 - ~252=5, 1284/3.0=4...(15) HB3 LYS 43 - HA LYS 44 OK 31 92 - 34 - ~252=5, 7502/3.0=4...(15) HB2 LYS 96 - HA LYS 44 OK 28 92 - 31 - 2.9/3905=5, 2.9/3904=3...(13) HB2 LEU 45 - HA LYS 44 OK 12 97 - 12 - 3997/3.6=8, 1284/3.0=2 HB3 LYS 123 - HA LYS 44 lone 9 100 - 9 - 1.8/8046=2, 2.9/3904=1 HB2 LYS 73 - HA GLU 69 poor 7 63 - 12 - 4.0/2127=4, 5133/3.6=1 HB3 LYS 73 - HA GLU 69 poor 7 59 - 12 - 4.0/2127=4, 5133/3.6=1 HB3 LYS 123 - HA GLU 69 lone 7 92 - 7 - 1.8/8046=1 HB2 LYS 73 - HA LYS 44 lone 6 73 - 9 - 4.0/2127=2 HB3 LYS 73 - HA LYS 44 lone 6 70 - 9 - 4.0/2127=2 HB2 ARG 95 - HA LYS 44 lone 6 81 - 7 - 6023/3.6=4, 3.0/11427=1, 8327=1 HB ILE 71 - HA GLU 69 lone 4 67 - 7 - 4.5/2122=5 HB2 LYS 44 - HA GLU 69 lone 4 93 - 4 - HB3 LYS 44 - HA GLU 69 lone 4 90 - 4 - HB2 LEU 45 - HA GLU 69 lone 3 87 - 3 - HB2 LYS 43 - HA GLU 69 lone 3 91 - 3 - HB ILE 71 - HA LYS 44 lone 3 77 - 3 - 4.5/2122=2 HB3 LYS 43 - HA GLU 69 lone 2 81 - 3 - HB2 GLU 128 - HA LYS 44 lone 2 92 - 2 - HB2 GLU 128 - HA GLU 69 lone 1 81 - 2 - HB2 LYS 96 - HA GLU 69 lone 1 81 - 2 - HB2 LYS 115 - HA GLU 69 lone 1 59 - 2 - HB ILE 15 - HA GLU 37 lone 1 57 - 1 - HB2 ARG 95 - HA GLU 69 lone 1 70 - 1 - HB2 LEU 45 - HA GLU 37 lone 1 54 - 1 - HB3 LYS 17 - HA LYS 44 lone 1 90 - 1 - HB2 LYS 44 - HA GLU 37 lone 1 59 - 1 - HB3 LYS 44 - HA GLU 37 lone 1 56 - 1 - HB2 LYS 96 - HA GLU 37 lone 0 49 - 1 - HG2 MET 121 - HA GLU 69 lone 0 89 - 0 - HB2 ARG 95 - HA GLU 37 lone 0 41 - 1 - HB2 LEU 81 - HA LYS 44 lone 0 96 - 0 - HB2 LYS 73 - HA GLU 37 lone 0 36 - 1 - HB ILE 7 - HA GLU 37 lone 0 29 - 2 - HB ILE 15 - HA LYS 44 lone 0 99 - 0 - HB ILE 71 - HA GLU 37 lone 0 39 - 1 - HB3 LYS 73 - HA GLU 37 lone 0 34 - 1 - HB2 GLU 128 - HA GLU 37 lone 0 49 - 1 - HG2 MET 121 - HA LYS 44 lone 0 98 - 0 - HB2 LYS 115 - HA LYS 44 lone 0 70 - 0 - HB2 LEU 81 - HA GLU 69 lone 0 86 - 0 - HB2 LYS 49 - HA GLU 69 lone 0 76 - 0 - HB ILE 15 - HA GLU 69 lone 0 91 - 0 - HB2 LYS 49 - HA LYS 44 lone 0 87 - 0 - HB3 LYS 17 - HA GLU 69 lone 0 79 - 0 - HB3 LYS 123 - HA GLU 37 lone 0 58 - 0 - HB2 LYS 43 - HA GLU 37 lone 0 57 - 0 - HB ILE 7 - HA LYS 44 lone 0 61 - 0 - HB3 LYS 43 - HA GLU 37 lone 0 49 - 0 - HB2 LYS 115 - HA GLU 37 lone 0 34 - 1 - HB ILE 7 - HA GLU 69 lone 0 52 - 0 - HB2 LEU 81 - HA GLU 37 lone 0 52 - 0 - HG2 MET 121 - HA GLU 37 lone 0 55 - 0 - HB3 LYS 17 - HA GLU 37 lone 0 47 - 0 - HB2 LYS 49 - HA GLU 37 lone 0 45 - 0 - Peak 3903 from cnoeabs.peaks (1.91, 4.06, 59.50 ppm; 2.86 A): 2 out of 60 assignments used, quality = 1.00: * HB3 LYS 44 + HA LYS 44 OK 95 100 - 95 - 3.0=88, 2.9/3905=8...(25) HB2 LYS 44 + HA LYS 44 OK 94 99 - 95 - 3.0=88, 2.9/3905=8...(25) HB2 LYS 43 - HA LYS 44 OK 34 100 - 34 - ~252=5, 7502/3.0=4...(15) HB3 LYS 43 - HA LYS 44 OK 34 99 - 34 - ~252=5, 7503/3.0=4...(15) HB2 LYS 96 - HA LYS 44 OK 30 99 - 31 - 2.9/3905=5, 2.9/3904=3...(13) HB2 LEU 45 - HA LYS 44 OK 13 100 - 13 - 3997/3.6=8, 1284/3.0=2 HB2 LYS 73 - HA GLU 69 poor 10 79 - 13 - 4.0/2127=4, 5133/3.6=1 HB3 LYS 73 - HA GLU 69 poor 9 76 - 12 - 4.0/2127=4, 5133/3.6=1 HB3 LYS 123 - HA LYS 44 lone 9 96 - 9 - 1.8/8046=2, 2.9/3904=1 HB2 LYS 73 - HA LYS 44 lone 8 90 - 9 - 4.0/2127=2 HB2 ARG 95 - HA LYS 44 lone 8 94 - 8 - 6023/3.6=4, 8327=1, 3.0/11427=1 HB3 LYS 73 - HA LYS 44 lone 8 87 - 9 - 4.0/2127=2 HB3 LYS 123 - HA GLU 69 lone 6 86 - 7 - 1.8/8046=1 HB ILE 71 - HA GLU 69 lone 5 81 - 7 - 4.5/2122=5 HB3 LYS 44 - HA GLU 69 lone 4 93 - 4 - HB2 LYS 44 - HA GLU 69 lone 4 90 - 4 - HB2 LEU 45 - HA GLU 69 lone 3 93 - 3 - HB ILE 71 - HA LYS 44 lone 3 92 - 3 - 4.5/2122=2 HB2 LYS 43 - HA GLU 69 lone 3 93 - 3 - HB3 LYS 43 - HA GLU 69 lone 2 90 - 3 - HB2 LYS 20 - HA LYS 44 lone 2 73 - 3 - HB3 LYS 20 - HA LYS 44 lone 2 73 - 3 - HB2 GLU 128 - HA LYS 44 lone 2 99 - 2 - HB2 GLU 128 - HA GLU 69 lone 2 90 - 2 - HB2 LYS 96 - HA GLU 69 lone 2 90 - 2 - HB2 ARG 95 - HA GLU 69 lone 1 84 - 1 - HB2 LEU 45 - HA GLU 37 lone 1 59 - 1 - HB3 LYS 20 - HA GLU 69 lone 1 63 - 1 - HB2 LYS 20 - HA GLU 69 lone 1 63 - 1 - HB ILE 7 - HA GLU 37 lone 1 41 - 2 - HB2 ARG 95 - HA GLU 37 lone 1 51 - 1 - HB2 LYS 73 - HA GLU 37 lone 1 47 - 1 - HB ILE 15 - HA GLU 37 lone 1 51 - 1 - HB2 LYS 96 - HA GLU 37 lone 1 56 - 1 - HB3 LYS 73 - HA GLU 37 lone 1 45 - 1 - HB3 LYS 44 - HA GLU 37 lone 1 59 - 1 - HB ILE 71 - HA GLU 37 lone 1 49 - 1 - HB2 LYS 44 - HA GLU 37 lone 1 56 - 1 - HB2 GLU 128 - HA GLU 37 lone 0 56 - 1 - HB3 LYS 17 - HA LYS 44 lone 0 73 - 1 - HG2 MET 121 - HA GLU 69 lone 0 79 - 0 - HB ILE 15 - HA LYS 44 lone 0 94 - 0 - HB2 LYS 49 - HA GLU 69 lone 0 87 - 0 - HB2 LEU 81 - HA LYS 44 lone 0 84 - 0 - HB2 LYS 49 - HA LYS 44 lone 0 97 - 0 - HB ILE 7 - HA LYS 44 lone 0 81 - 0 - HG2 MET 121 - HA LYS 44 lone 0 90 - 0 - HB2 LEU 81 - HA GLU 69 lone 0 73 - 0 - HB ILE 15 - HA GLU 69 lone 0 84 - 0 - HB ILE 7 - HA GLU 69 lone 0 70 - 0 - HB2 LYS 43 - HA GLU 37 lone 0 59 - 0 - HB3 LYS 43 - HA GLU 37 lone 0 56 - 0 - HB3 LYS 123 - HA GLU 37 lone 0 52 - 0 - HB3 LYS 17 - HA GLU 69 lone 0 63 - 0 - HB2 LYS 49 - HA GLU 37 lone 0 54 - 0 - HB3 LYS 20 - HA GLU 37 lone 0 36 - 0 - HB2 LYS 20 - HA GLU 37 lone 0 36 - 0 - HG2 MET 121 - HA GLU 37 lone 0 47 - 0 - HB2 LEU 81 - HA GLU 37 lone 0 43 - 0 - HB3 LYS 17 - HA GLU 37 lone 0 36 - 0 - Peak 3904 from cnoeabs.peaks (1.58, 4.06, 59.50 ppm; 3.43 A): 2 out of 36 assignments used, quality = 0.94: * HG2 LYS 44 + HA LYS 44 OK 90 100 - 90 - 4.2=56, 1.8/3905=15...(31) HG3 LYS 96 + HA LYS 44 OK 45 87 - 52 - 1.8/3905=9, 1286/3.0=7...(18) HG LEU 68 - HA GLU 69 OK 25 89 - 28 - 425/2.9=7, ~424=5...(8) HG2 LYS 123 - HA LYS 44 OK 15 97 - 16 - 1286/3.0=2, 1.8/3907=2...(7) HB3 LEU 70 - HA GLU 69 OK 14 76 - 19 - 1461/3.6=14, 425/2.9=3, ~11366=1 HG2 LYS 73 - HA GLU 69 OK 12 67 - 19 - 4.9/2127=5, 5153/3.6=4...(6) HG2 LYS 73 - HA LYS 44 OK 11 77 - 14 - 4.9/2127=3, 265/3.6=3...(4) HG2 LYS 123 - HA GLU 69 lone 7 87 - 8 - 425/2.9=2, 1461/3.6=2 HG2 LYS 44 - HA GLU 69 lone 5 93 - 6 - 425/2.9=1 HG LEU 68 - HA LYS 44 lone 3 98 - 3 - HG3 LYS 96 - HA GLU 69 lone 2 76 - 3 - HG12 ILE 116 - HA GLU 69 lone 2 93 - 2 - HB3 LEU 70 - HA LYS 44 lone 2 87 - 2 - HG12 ILE 116 - HA LYS 44 lone 1 100 - 1 - HG3 LYS 96 - HA GLU 37 lone 1 45 - 2 - HG2 LYS 44 - HA GLU 37 lone 1 59 - 1 - HD3 LYS 19 - HA LYS 44 lone 1 87 - 1 - HD2 LYS 19 - HA LYS 44 lone 1 87 - 1 - HG2 LYS 73 - HA GLU 37 lone 1 39 - 2 - HG LEU 82 - HA GLU 69 lone 1 63 - 1 - HG3 LYS 19 - HA LYS 44 lone 1 81 - 1 - HG LEU 55 - HA LYS 44 lone 0 73 - 1 - HG LEU 82 - HA LYS 44 lone 0 73 - 1 - HD2 LYS 19 - HA GLU 69 lone 0 76 - 1 - HD3 LYS 19 - HA GLU 69 lone 0 76 - 1 - HG LEU 55 - HA GLU 37 lone 0 36 - 1 - HG3 LYS 19 - HA GLU 69 lone 0 70 - 1 - HG LEU 68 - HA GLU 37 lone 0 55 - 1 - HG LEU 55 - HA GLU 69 lone 0 63 - 1 - HG2 LYS 123 - HA GLU 37 lone 0 54 - 0 - HG12 ILE 116 - HA GLU 37 lone 0 59 - 0 - HB3 LEU 70 - HA GLU 37 lone 0 45 - 1 - HG LEU 82 - HA GLU 37 lone 0 36 - 1 - HD2 LYS 19 - HA GLU 37 lone 0 45 - 0 - HD3 LYS 19 - HA GLU 37 lone 0 45 - 0 - HG3 LYS 19 - HA GLU 37 lone 0 41 - 0 - Peak 3905 from cnoeabs.peaks (1.44, 4.06, 59.50 ppm; 3.66 A): 2 out of 39 assignments used, quality = 0.98: * HG3 LYS 44 + HA LYS 44 OK 94 100 - 94 - 4.2=68, 1.8/3904=15...(36) HG2 LYS 96 + HA LYS 44 OK 57 100 - 57 - 1287/3.0=9, 3941=8...(23) HG2 LYS 39 - HA LYS 44 poor 7 61 - 12 - 3.0/3907=1, 3.0/3907=1...(4) HB3 LEU 63 - HA GLU 69 lone 7 76 - 9 - 7612/2.9=1, ~7614=1, ~8113=1 HB3 LEU 63 - HA GLU 37 poor 5 45 - 12 - ~9360=3, 9676/3.9=3...(4) HG3 LYS 44 - HA GLU 69 lone 5 93 - 6 - HB3 LEU 63 - HA LYS 44 lone 3 87 - 3 - 266/3.6=2 HG2 LYS 96 - HA GLU 69 lone 3 93 - 3 - HG3 LYS 17 - HA LYS 44 lone 1 94 - 2 - HB2 LEU 4 - HA LYS 44 lone 1 100 - 1 - HB3 LEU 4 - HA LYS 44 lone 1 100 - 1 - HG12 ILE 56 - HA LYS 44 lone 1 90 - 1 - HG2 LYS 96 - HA GLU 37 lone 1 59 - 2 - HG LEU 80 - HA GLU 69 lone 1 92 - 1 - HG2 LYS 39 - HA GLU 37 lone 1 29 - 3 - 1235/3.6=2 HG3 ARG 30 - HA LYS 44 lone 1 81 - 1 - HG LEU 80 - HA LYS 44 lone 1 100 - 1 - HG LEU 4 - HA LYS 44 lone 1 84 - 1 - HB3 LYS 61 - HA LYS 44 lone 1 98 - 1 - HG3 LYS 44 - HA GLU 37 lone 1 59 - 1 - HB3 LYS 61 - HA GLU 69 lone 1 89 - 1 - HB3 GLN 83 - HA LYS 44 lone 1 65 - 1 - HG2 LYS 39 - HA GLU 69 lone 1 52 - 1 - HG3 LYS 17 - HA GLU 69 lone 0 84 - 1 - HB3 LEU 4 - HA GLU 69 lone 0 93 - 0 - HB2 LEU 4 - HA GLU 69 lone 0 93 - 0 - HG3 ARG 30 - HA GLU 69 lone 0 70 - 0 - HG12 ILE 56 - HA GLU 69 lone 0 79 - 0 - HB3 GLN 83 - HA GLU 69 lone 0 56 - 1 - HG LEU 4 - HA GLU 69 lone 0 73 - 0 - HG LEU 80 - HA GLU 37 lone 0 58 - 0 - HB2 LEU 4 - HA GLU 37 lone 0 59 - 0 - HB3 LEU 4 - HA GLU 37 lone 0 59 - 0 - HG3 ARG 30 - HA GLU 37 lone 0 41 - 1 - HB3 LYS 61 - HA GLU 37 lone 0 55 - 0 - HG3 LYS 17 - HA GLU 37 lone 0 51 - 0 - HG12 ILE 56 - HA GLU 37 lone 0 47 - 0 - HB3 GLN 83 - HA GLU 37 lone 0 32 - 1 - HG LEU 4 - HA GLU 37 lone 0 43 - 0 - Peak 3906 from cnoeabs.peaks (1.70, 4.06, 59.50 ppm; 3.39 A): 2 out of 63 assignments used, quality = 0.97: HD3 LYS 44 + HA LYS 44 OK 83 100 - 83 - 5.4=25, 2.9/3905=11...(36) * HD2 LYS 44 + HA LYS 44 OK 83 100 - 83 - 5.4=25, 2.9/3905=11...(36) HD3 LYS 96 - HA LYS 44 OK 32 65 - 49 - 3.0/3905=7, 3.0/3904=5...(15) HD3 LYS 39 - HA LYS 44 OK 15 99 - 15 - 3961=2, 3960/3.0=1, 1.8/3961=1 HD2 LYS 39 - HA LYS 44 OK 15 99 - 15 - 3961=2, 3960/3.0=1, 1.8/3961=1 HD3 LYS 43 - HA LYS 44 OK 14 70 - 21 - ~256=5, ~7505=4...(6) HG3 LYS 123 - HA LYS 44 OK 14 100 - 14 - 1.8/3904=2, 2.9/8046=2...(4) HG3 LYS 39 - HA LYS 44 OK 11 100 - 11 - 1.8/3905=1 HD2 LYS 73 - HA LYS 44 poor 9 73 - 12 - 6.4/2127=2, 3.0/3904=1 HD3 LYS 73 - HA LYS 44 poor 8 70 - 12 - 6.4/2127=2, 3.0/3904=1 HD2 LYS 40 - HA LYS 44 poor 8 61 - 13 - 3.6/8044=5, 3.6/8046=3...(5) HD2 LYS 73 - HA GLU 69 poor 8 63 - 13 - 6.4/2127=3, 3.0/3904=1...(5) HD3 LYS 73 - HA GLU 69 poor 7 59 - 13 - 6.4/2127=3, 3.0/3904=1...(5) HG3 LYS 123 - HA GLU 69 lone 6 93 - 7 - 2.9/8046=1, ~425=1 HD2 LYS 20 - HA LYS 44 lone 4 84 - 5 - HD3 LYS 20 - HA LYS 44 lone 4 81 - 5 - HD2 LYS 44 - HA GLU 69 lone 4 93 - 4 - HD3 LYS 44 - HA GLU 69 lone 4 93 - 4 - HG12 ILE 71 - HA GLU 69 lone 3 87 - 4 - HD3 LYS 16 - HA LYS 44 lone 2 87 - 3 - HD2 LYS 16 - HA LYS 44 lone 2 77 - 3 - HD2 LYS 40 - HA GLU 69 lone 2 52 - 3 - 3.6/8044=1, 3.6/8046=1 HG12 ILE 71 - HA LYS 44 lone 2 97 - 2 - HG LEU 74 - HA GLU 69 lone 1 92 - 2 - HD3 LYS 96 - HA GLU 69 lone 1 56 - 2 - HD2 LYS 40 - HA GLU 37 lone 1 29 - 5 - 3.6/8044=2, 3.6/8046=1 HG3 LYS 39 - HA GLU 69 lone 1 93 - 1 - HG3 LYS 39 - HA GLU 37 lone 1 59 - 2 - HD2 LYS 20 - HA GLU 69 lone 1 73 - 1 - HD3 LYS 43 - HA GLU 69 lone 1 59 - 2 - HD3 LYS 20 - HA GLU 69 lone 1 70 - 1 - HG LEU 74 - HA LYS 44 lone 1 100 - 1 - HB3 LYS 106 - HA LYS 44 lone 1 81 - 1 - HD3 LYS 39 - HA GLU 37 lone 1 57 - 1 - HD2 LYS 39 - HA GLU 37 lone 1 56 - 1 - HB ILE 56 - HA LYS 44 lone 1 87 - 1 - HD3 LYS 39 - HA GLU 69 lone 1 91 - 1 - HD2 LYS 39 - HA GLU 69 lone 1 90 - 1 - HB2 LYS 106 - HA LYS 44 lone 1 73 - 1 - HD2 LYS 44 - HA GLU 37 lone 1 59 - 1 - HD3 LYS 44 - HA GLU 37 lone 1 59 - 1 - HD3 LYS 16 - HA GLU 69 lone 1 76 - 1 - HD2 LYS 16 - HA GLU 69 lone 0 67 - 1 - HB3 LYS 106 - HA GLU 69 lone 0 70 - 1 - HD2 LYS 73 - HA GLU 37 lone 0 36 - 1 - HB2 LYS 106 - HA GLU 69 lone 0 63 - 1 - HD3 LYS 73 - HA GLU 37 lone 0 34 - 1 - HG3 LYS 123 - HA GLU 37 lone 0 59 - 1 - HD3 LYS 96 - HA GLU 37 lone 0 32 - 1 - HB ILE 54 - HA GLU 37 lone 0 29 - 1 - HD3 LYS 16 - HA GLU 37 lone 0 45 - 1 - HB ILE 54 - HA LYS 44 lone 0 61 - 1 - HB ILE 56 - HA GLU 69 lone 0 76 - 0 - HD2 LYS 16 - HA GLU 37 lone 0 39 - 1 - HG12 ILE 71 - HA GLU 37 lone 0 54 - 1 - HB ILE 54 - HA GLU 69 lone 0 52 - 1 - HB3 LYS 106 - HA GLU 37 lone 0 41 - 1 - HG LEU 74 - HA GLU 37 lone 0 58 - 0 - HB2 LYS 106 - HA GLU 37 lone 0 36 - 1 - HD2 LYS 20 - HA GLU 37 lone 0 43 - 1 - HD3 LYS 20 - HA GLU 37 lone 0 41 - 1 - HD3 LYS 43 - HA GLU 37 lone 0 34 - 1 - HB ILE 56 - HA GLU 37 lone 0 45 - 0 - Peak 3907 from cnoeabs.peaks (1.70, 4.06, 59.50 ppm; 3.39 A): 2 out of 54 assignments used, quality = 0.97: * HD3 LYS 44 + HA LYS 44 OK 83 100 - 83 - 5.4=25, 2.9/3905=11...(36) HD2 LYS 44 + HA LYS 44 OK 82 100 - 83 - 5.4=25, 2.9/3905=11...(36) HD3 LYS 39 - HA LYS 44 OK 15 100 - 15 - 3961=2, 3960/3.0=1, 1.8/3961=1 HD2 LYS 39 - HA LYS 44 OK 15 100 - 15 - 3961=2, 3960/3.0=1, 1.8/3961=1 HG3 LYS 123 - HA LYS 44 OK 14 99 - 14 - 1.8/3904=2, 2.9/8046=2...(4) HD3 LYS 43 - HA LYS 44 OK 13 61 - 21 - ~256=5, ~7505=4...(6) HG3 LYS 39 - HA LYS 44 OK 11 99 - 11 - 1.8/3905=1 HD2 LYS 73 - HA LYS 44 poor 8 65 - 12 - 6.4/2127=2, 3.0/3904=1 HD3 LYS 73 - HA LYS 44 poor 7 61 - 12 - 6.4/2127=2, 3.0/3904=1 HD2 LYS 73 - HA GLU 69 poor 7 56 - 12 - 6.4/2127=3, 3.0/3904=1...(4) HD3 LYS 73 - HA GLU 69 poor 6 52 - 12 - 6.4/2127=3, 3.0/3904=1...(4) HG3 LYS 123 - HA GLU 69 lone 6 91 - 6 - 2.9/8046=1, ~425=1 HD3 LYS 44 - HA GLU 69 lone 4 93 - 4 - HD2 LYS 44 - HA GLU 69 lone 4 93 - 4 - HD2 LYS 20 - HA LYS 44 lone 4 77 - 5 - HD3 LYS 20 - HA LYS 44 lone 4 73 - 5 - HG12 ILE 71 - HA GLU 69 lone 3 84 - 3 - HD3 LYS 16 - HA LYS 44 lone 2 81 - 2 - HD2 LYS 16 - HA LYS 44 lone 2 70 - 3 - HG12 ILE 71 - HA LYS 44 lone 2 94 - 2 - HG LEU 74 - HA GLU 69 lone 1 93 - 1 - HG3 LYS 39 - HA GLU 69 lone 1 91 - 1 - HG3 LYS 39 - HA GLU 37 lone 1 57 - 2 - HB3 LYS 106 - HA LYS 44 lone 1 87 - 1 - HG LEU 74 - HA LYS 44 lone 1 100 - 1 - HD3 LYS 39 - HA GLU 37 lone 1 59 - 1 - HB2 LYS 106 - HA LYS 44 lone 1 81 - 1 - HD2 LYS 39 - HA GLU 37 lone 1 58 - 1 - HD2 LYS 20 - HA GLU 69 lone 1 67 - 1 - HD3 LYS 39 - HA GLU 69 lone 1 93 - 1 - HD2 LYS 39 - HA GLU 69 lone 1 92 - 1 - HD3 LYS 20 - HA GLU 69 lone 1 63 - 1 - HD3 LYS 43 - HA GLU 69 lone 1 52 - 2 - HB ILE 56 - HA LYS 44 lone 1 81 - 1 - HD3 LYS 44 - HA GLU 37 lone 1 59 - 1 - HD2 LYS 44 - HA GLU 37 lone 1 59 - 1 - HB3 LYS 106 - HA GLU 69 lone 0 76 - 1 - HD3 LYS 16 - HA GLU 69 lone 0 70 - 1 - HB2 LYS 106 - HA GLU 69 lone 0 70 - 1 - HD2 LYS 16 - HA GLU 69 lone 0 59 - 1 - HG3 LYS 123 - HA GLU 37 lone 0 57 - 1 - HD2 LYS 73 - HA GLU 37 lone 0 32 - 1 - HD3 LYS 73 - HA GLU 37 lone 0 29 - 1 - HD3 LYS 16 - HA GLU 37 lone 0 41 - 1 - HB3 LYS 106 - HA GLU 37 lone 0 45 - 1 - HB ILE 56 - HA GLU 69 lone 0 70 - 0 - HB2 LYS 106 - HA GLU 37 lone 0 41 - 1 - HG12 ILE 71 - HA GLU 37 lone 0 51 - 1 - HG LEU 74 - HA GLU 37 lone 0 59 - 0 - HD2 LYS 16 - HA GLU 37 lone 0 34 - 1 - HD2 LYS 20 - HA GLU 37 lone 0 39 - 1 - HD3 LYS 20 - HA GLU 37 lone 0 36 - 1 - HD3 LYS 43 - HA GLU 37 lone 0 29 - 1 - HB ILE 56 - HA GLU 37 lone 0 41 - 0 - Peak 3908 from cnoeabs.peaks (2.93, 4.06, 59.50 ppm; 6.20 A): 4 out of 27 assignments used, quality = 1.00: * HE2 LYS 44 + HA LYS 44 OK 99 100 - 99 - 6.5=88, 3.7/3905=23...(37) HE3 LYS 44 + HA LYS 44 OK 99 100 - 99 - 6.5=88, 3.7/3905=23...(37) HE2 LYS 96 + HA LYS 44 OK 72 100 - 72 - 3.8/3905=14, 3.8/3904=9...(30) HE3 LYS 96 + HA LYS 44 OK 72 100 - 72 - 3.8/3905=14, 3.8/3904=9...(30) HE3 LYS 94 - HA LYS 44 OK 12 84 - 15 - 4.8/8194=3, 4.8/8196=3...(4) HE3 LYS 44 - HA GLU 69 lone 7 93 - 8 - 3.7/3905=1, 3.7/3904=1 HE2 LYS 44 - HA GLU 69 lone 7 93 - 8 - 3.7/3905=1, 3.7/3904=1 HE2 LYS 65 - HA GLU 69 lone 7 70 - 10 - 7.4/8150=2, 4.8/8046=2 HE3 LYS 65 - HA GLU 69 lone 7 70 - 10 - 7.4/8150=2, 4.8/8046=2 HE3 LYS 65 - HA LYS 44 lone 5 81 - 6 - HE2 LYS 65 - HA LYS 44 lone 5 81 - 6 - HE2 LYS 96 - HA GLU 69 lone 5 93 - 5 - HE3 LYS 96 - HA GLU 69 lone 5 93 - 5 - HE3 LYS 94 - HA GLU 69 lone 4 73 - 6 - 6.9/2154=1, 4.8/8194=1 HB2 ASP 86 - HA GLU 37 lone 3 58 - 6 - 10037/3.6=2 HD3 ARG 30 - HA LYS 44 lone 3 100 - 3 - HB2 ASP 86 - HA GLU 69 lone 3 92 - 3 - HB2 ASP 86 - HA LYS 44 lone 2 100 - 2 - HE3 LYS 94 - HA GLU 37 lone 2 43 - 5 - HD3 ARG 30 - HA GLU 69 lone 2 92 - 2 - HE2 LYS 96 - HA GLU 37 lone 2 59 - 3 - HE3 LYS 96 - HA GLU 37 lone 2 59 - 3 - HE3 LYS 44 - HA GLU 37 lone 2 59 - 3 - HE2 LYS 44 - HA GLU 37 lone 2 59 - 3 - HE2 LYS 65 - HA GLU 37 lone 1 41 - 3 - HE3 LYS 65 - HA GLU 37 lone 1 41 - 3 - HD3 ARG 30 - HA GLU 37 lone 1 58 - 2 - Peak 3909 from cnoeabs.peaks (2.93, 4.06, 59.50 ppm; 4.79 A): 4 out of 27 assignments used, quality = 1.00: HE2 LYS 44 + HA LYS 44 OK 90 100 - 90 - 6.5=41, 3.7/3905=17...(36) * HE3 LYS 44 + HA LYS 44 OK 90 100 - 90 - 6.5=41, 3.7/3905=17...(36) HE2 LYS 96 + HA LYS 44 OK 59 100 - 60 - 3.8/3905=10, 3.8/3904=7...(29) HE3 LYS 96 + HA LYS 44 OK 59 100 - 60 - 3.8/3905=10, 3.8/3904=7...(29) HE3 LYS 94 - HA LYS 44 lone 8 84 - 9 - 4.8/8194=2, 4.8/8196=2 HE3 LYS 44 - HA GLU 69 lone 5 93 - 6 - HE2 LYS 44 - HA GLU 69 lone 5 93 - 6 - HE2 LYS 65 - HA GLU 69 lone 4 70 - 6 - 4.8/8046=1, 4.8/8046=1 HE3 LYS 65 - HA GLU 69 lone 4 70 - 6 - 4.8/8046=1, 4.8/8046=1 HE3 LYS 65 - HA LYS 44 lone 3 81 - 4 - HE2 LYS 65 - HA LYS 44 lone 3 81 - 4 - HE2 LYS 96 - HA GLU 69 lone 3 93 - 3 - HE3 LYS 96 - HA GLU 69 lone 3 93 - 3 - HE3 LYS 94 - HA GLU 69 lone 3 73 - 3 - HB2 ASP 86 - HA GLU 37 lone 2 58 - 3 - 10037/3.6=1 HD3 ARG 30 - HA LYS 44 lone 2 100 - 2 - HB2 ASP 86 - HA GLU 69 lone 1 92 - 1 - HE3 LYS 94 - HA GLU 37 lone 1 43 - 3 - HE2 LYS 96 - HA GLU 37 lone 1 59 - 2 - HE3 LYS 96 - HA GLU 37 lone 1 59 - 2 - HB2 ASP 86 - HA LYS 44 lone 1 100 - 1 - HE3 LYS 44 - HA GLU 37 lone 1 59 - 2 - HE2 LYS 44 - HA GLU 37 lone 1 59 - 2 - HD3 ARG 30 - HA GLU 69 lone 1 92 - 1 - HE2 LYS 65 - HA GLU 37 lone 1 41 - 2 - HE3 LYS 65 - HA GLU 37 lone 1 41 - 2 - HD3 ARG 30 - HA GLU 37 lone 1 58 - 1 - Peak 3910 from cnoeabs.peaks (7.45, 1.91, 32.07 ppm; 3.16 A): 4 out of 6 assignments used, quality = 0.99: * H LYS 44 + HB2 LYS 44 OK 82 100 - 82 - 4.0=48, 261/4.7=13...(24) H LYS 44 + HB3 LYS 44 OK 80 97 - 82 - 4.0=48, 261/4.7=13...(24) H LYS 44 + HB2 LYS 43 OK 63 94 - 68 - 4.7=31, 252/3.0=21...(10) H LYS 44 + HB3 LYS 43 OK 52 77 - 68 - 4.7=31, 252/3.0=21...(10) H LYS 44 - HB2 LYS 96 OK 26 83 - 32 - 1287/2.9=6, 1286/2.9=6...(12) H LYS 44 - HB3 LYS 123 lone 5 72 - 7 - 1286/2.9=2 Peak 3911 from cnoeabs.peaks (4.06, 1.91, 32.07 ppm; 2.72 A): 3 out of 48 assignments used, quality = 1.00: * HA LYS 44 + HB2 LYS 44 OK 89 100 - 89 - 3.0=76, 3902/1.8=7...(25) HA LYS 44 + HB3 LYS 44 OK 87 97 - 89 - 3.0=76, 3902/1.8=8...(25) HA LYS 96 + HB2 LYS 96 OK 73 81 - 90 - 3.0=79, 6076/2.9=8...(18) HA LYS 96 - HB2 LYS 44 OK 33 99 - 34 - 6073=5, 6075/2.9=4...(17) HA LYS 96 - HB3 LYS 44 OK 32 96 - 34 - 6073=5, 6075/2.9=4...(14) HA LYS 44 - HB2 LYS 43 OK 30 94 - 32 - ~252=4, 3902=4...(15) HA LYS 44 - HB3 LYS 43 OK 24 77 - 31 - ~252=4, 3903=4...(15) HA LYS 44 - HB2 LYS 96 OK 23 83 - 28 - 3905/2.9=4, 3903=3...(12) HA LYS 44 - HB3 LYS 123 lone 6 72 - 8 - 8046/1.8=1, 3904/2.9=1, 3902=1 HA LYS 96 - HB2 LYS 43 lone 5 92 - 6 - HA LYS 96 - HB3 LYS 123 lone 5 71 - 7 - 8046/1.8=1 HA GLU 69 - HB3 LYS 123 lone 5 68 - 7 - 8046/1.8=1 HA LYS 96 - HB3 LYS 43 lone 4 75 - 5 - HA GLU 69 - HB2 LYS 44 lone 4 98 - 4 - HA GLU 69 - HB3 LYS 44 lone 3 94 - 4 - HA3 GLY 125 - HB2 LYS 96 lone 2 82 - 3 - HA3 GLY 125 - HB3 LYS 123 lone 2 72 - 3 - 3.6/10639=2 HA GLU 69 - HB2 LYS 43 lone 2 90 - 3 - HA3 GLY 125 - HB2 LYS 44 lone 2 100 - 2 - HA3 GLY 125 - HB3 LYS 44 lone 2 97 - 2 - HA2 GLY 125 - HB2 LYS 44 lone 2 94 - 2 - HA2 GLY 125 - HB2 LYS 96 lone 2 73 - 3 - HA2 GLY 125 - HB3 LYS 123 lone 2 63 - 3 - 3.6/10639=2 HA2 GLY 125 - HB3 LYS 44 lone 2 89 - 2 - HA GLU 69 - HB3 LYS 43 lone 2 72 - 2 - HA GLU 91 - HB2 LYS 44 lone 1 87 - 2 - HA GLU 91 - HB3 LYS 44 lone 1 82 - 2 - HA GLU 91 - HB2 LYS 96 lone 1 66 - 2 - HA GLU 69 - HB2 LYS 96 lone 1 78 - 1 - HA3 GLY 125 - HB2 LYS 43 lone 1 94 - 1 - HA SER 35 - HB2 LYS 96 lone 1 57 - 2 - HA GLU 37 - HB2 LYS 96 lone 1 82 - 1 - HA2 GLY 125 - HB2 LYS 43 lone 1 85 - 1 - HA GLU 37 - HB2 LYS 44 lone 1 100 - 1 - HA3 GLY 125 - HB3 LYS 43 lone 1 76 - 1 - HA GLU 37 - HB3 LYS 44 lone 1 97 - 1 - HA2 GLY 125 - HB3 LYS 43 lone 1 67 - 1 - HA GLU 91 - HB3 LYS 123 lone 1 56 - 1 - HA SER 35 - HB2 LYS 44 lone 0 77 - 1 - HA SER 35 - HB3 LYS 44 lone 0 72 - 1 - HA GLU 91 - HB2 LYS 43 lone 0 77 - 0 - HA GLU 37 - HB2 LYS 43 lone 0 94 - 0 - HA GLU 37 - HB3 LYS 123 lone 0 72 - 0 - HA GLU 37 - HB3 LYS 43 lone 0 76 - 0 - HA SER 35 - HB2 LYS 43 lone 0 68 - 0 - HA GLU 91 - HB3 LYS 43 lone 0 60 - 0 - HA SER 35 - HB3 LYS 43 lone 0 52 - 0 - HA SER 35 - HB3 LYS 123 lone 0 49 - 0 - Peak 3912 from cnoeabs.peaks (1.91, 1.91, 32.07 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: * HB2 LYS 44 + HB2 LYS 44 OK 100 100 - 100 HB3 LYS 44 + HB3 LYS 44 OK 95 95 - 100 HB2 LYS 43 + HB2 LYS 43 OK 92 92 - 100 HB3 LYS 123 + HB3 LYS 123 OK 71 71 - 100 HB2 LYS 96 + HB2 LYS 96 OK 71 71 - 100 HB3 LYS 43 + HB3 LYS 43 OK 65 65 - 100 Peak 3913 from cnoeabs.peaks (1.91, 1.91, 32.07 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HB2 LYS 44 + HB2 LYS 44 OK 99 99 - 100 HB3 LYS 44 + HB3 LYS 44 OK 97 97 - 100 HB2 LYS 43 + HB2 LYS 43 OK 94 94 - 100 HB2 LYS 96 + HB2 LYS 96 OK 80 80 - 100 HB3 LYS 43 + HB3 LYS 43 OK 74 74 - 100 HB3 LYS 123 + HB3 LYS 123 OK 65 65 - 100 Reference assignment not found: HB3 LYS 44 - HB2 LYS 44 Peak 3914 from cnoeabs.peaks (1.58, 1.91, 32.07 ppm; 2.82 A): 4 out of 72 assignments used, quality = 1.00: * HG2 LYS 44 + HB2 LYS 44 OK 95 100 - 95 - 2.9=88, 1286/4.0=7...(32) HG2 LYS 44 + HB3 LYS 44 OK 93 97 - 95 - 2.9=88, 1286/4.0=7...(32) HG2 LYS 123 + HB3 LYS 123 OK 64 67 - 96 - 2.9=88, 7104/3.8=12...(37) HG3 LYS 96 + HB2 LYS 96 OK 64 66 - 97 - 2.9=93, 6076/3.0=7...(28) HG3 LYS 96 - HB2 LYS 44 OK 31 87 - 36 - 1286/4.0=3, 3904/3.0=3...(13) HG3 LYS 96 - HB3 LYS 44 OK 28 82 - 35 - 1286/4.0=3, 3904/3.0=3...(12) HG2 LYS 44 - HB2 LYS 96 OK 27 83 - 33 - 6076/3.0=3, ~6075=3...(10) HG2 LYS 123 - HB2 LYS 44 OK 17 97 - 18 - 2.9/7120=3, 2.9/7130=2...(5) HG2 LYS 123 - HB3 LYS 44 OK 17 93 - 18 - 2.9/7120=2, 2.9/7130=2...(6) HG2 LYS 44 - HB2 LYS 43 OK 13 94 - 14 - 3930/4.7=6, 4.2/3902=1 HG2 LYS 44 - HB3 LYS 43 OK 10 77 - 14 - 3930/4.7=6, 4.2/3903=1 HG3 LYS 96 - HB2 LYS 43 poor 8 77 - 10 - 1286/4.7=3 HG2 LYS 73 - HB2 LYS 43 poor 8 68 - 12 - HG2 LYS 44 - HB3 LYS 123 lone 6 72 - 9 - 1812/3.7=1 HG3 LYS 96 - HB3 LYS 43 lone 6 60 - 10 - 1286/4.7=3 HG2 LYS 73 - HB2 LYS 44 lone 6 77 - 7 - 265/4.7=1 HG2 LYS 73 - HB3 LYS 43 poor 5 52 - 11 - HG2 LYS 73 - HB2 LYS 96 lone 5 57 - 9 - HG2 LYS 73 - HB3 LYS 44 lone 5 72 - 7 - 265/4.7=1 HG2 LYS 123 - HB2 LYS 96 lone 5 77 - 6 - HG2 LYS 123 - HB2 LYS 43 lone 3 89 - 3 - HG2 LYS 123 - HB3 LYS 43 lone 2 71 - 3 - HG3 LYS 96 - HB3 LYS 123 lone 2 56 - 4 - HB3 LEU 70 - HB3 LYS 123 lone 2 56 - 3 - HG LEU 68 - HB2 LYS 44 lone 2 98 - 2 - HG LEU 68 - HB3 LYS 44 lone 2 94 - 2 - HG LEU 68 - HB2 LYS 43 lone 2 90 - 2 - HB3 LEU 70 - HB2 LYS 44 lone 2 87 - 2 - HG LEU 68 - HB3 LYS 123 lone 1 68 - 2 - HB3 LEU 70 - HB3 LYS 44 lone 1 82 - 2 - HG LEU 68 - HB3 LYS 43 lone 1 72 - 2 - HB3 LEU 70 - HB2 LYS 96 lone 1 66 - 2 - HG12 ILE 116 - HB2 LYS 44 lone 1 100 - 1 - HG12 ILE 116 - HB3 LYS 44 lone 1 97 - 1 - HB3 LEU 70 - HB2 LYS 43 lone 1 77 - 1 - HG LEU 68 - HB2 LYS 96 lone 1 78 - 1 - HG12 ILE 116 - HB2 LYS 96 lone 1 82 - 1 - HB3 LEU 70 - HB3 LYS 43 lone 1 60 - 1 - HG12 ILE 116 - HB2 LYS 43 lone 0 94 - 1 - HG12 ILE 116 - HB3 LYS 123 lone 0 72 - 1 - HD3 LYS 19 - HB2 LYS 44 lone 0 87 - 0 - HD2 LYS 19 - HB2 LYS 44 lone 0 87 - 0 - HG LEU 82 - HB2 LYS 44 lone 0 73 - 1 - HG12 ILE 116 - HB3 LYS 43 lone 0 76 - 0 - HD2 LYS 19 - HB3 LYS 44 lone 0 82 - 0 - HD3 LYS 19 - HB3 LYS 44 lone 0 82 - 0 - HG LEU 82 - HB3 LYS 44 lone 0 68 - 1 - HG3 LYS 19 - HB2 LYS 44 lone 0 81 - 0 - HG2 LYS 73 - HB3 LYS 123 lone 0 49 - 1 - HG3 LYS 19 - HB3 LYS 44 lone 0 75 - 0 - HG3 LYS 19 - HB2 LYS 43 lone 0 71 - 0 - HG LEU 55 - HB2 LYS 96 lone 0 54 - 1 - HG LEU 55 - HB2 LYS 44 lone 0 73 - 0 - HG LEU 55 - HB3 LYS 44 lone 0 68 - 0 - HG3 LYS 19 - HB3 LYS 43 lone 0 55 - 0 - HD2 LYS 19 - HB2 LYS 43 lone 0 77 - 0 - HD3 LYS 19 - HB2 LYS 43 lone 0 77 - 0 - HD2 LYS 19 - HB3 LYS 123 lone 0 56 - 0 - HD3 LYS 19 - HB3 LYS 123 lone 0 56 - 0 - HG LEU 82 - HB2 LYS 96 lone 0 54 - 0 - HG3 LYS 19 - HB3 LYS 123 lone 0 51 - 0 - HG LEU 82 - HB3 LYS 123 lone 0 46 - 1 - HD3 LYS 19 - HB3 LYS 43 lone 0 60 - 0 - HD2 LYS 19 - HB3 LYS 43 lone 0 60 - 0 - HG LEU 55 - HB3 LYS 123 lone 0 46 - 0 - HG LEU 55 - HB2 LYS 43 lone 0 64 - 0 - HD2 LYS 19 - HB2 LYS 96 lone 0 66 - 0 - HD3 LYS 19 - HB2 LYS 96 lone 0 66 - 0 - HG3 LYS 19 - HB2 LYS 96 lone 0 60 - 0 - HG LEU 82 - HB2 LYS 43 lone 0 64 - 0 - HG LEU 55 - HB3 LYS 43 lone 0 49 - 0 - HG LEU 82 - HB3 LYS 43 lone 0 49 - 0 - Peak 3915 from cnoeabs.peaks (1.44, 1.91, 32.07 ppm; 2.86 A): 3 out of 78 assignments used, quality = 1.00: * HG3 LYS 44 + HB2 LYS 44 OK 97 100 - 97 - 2.9=93, 3905/3.0=8...(36) HG3 LYS 44 + HB3 LYS 44 OK 94 97 - 97 - 2.9=93, 3905/3.0=8...(34) HG2 LYS 96 + HB2 LYS 96 OK 81 82 - 99 - 2.9=97, 6075/3.0=8...(28) HG2 LYS 96 - HB2 LYS 44 OK 37 100 - 37 - 3905/3.0=5, 1287/4.0=4...(11) HG2 LYS 96 - HB3 LYS 44 OK 35 97 - 37 - 3905/3.0=5, 1287/4.0=4...(11) HG3 LYS 44 - HB2 LYS 96 OK 30 83 - 36 - 6075/3.0=5, 1639/4.1=3...(12) HG3 LYS 44 - HB2 LYS 43 OK 13 94 - 14 - 1287/4.7=5, 4.2/3902=1 HG2 LYS 96 - HB2 LYS 43 OK 10 94 - 11 - 3940/4.7=3 HG3 LYS 44 - HB3 LYS 43 poor 10 77 - 13 - 1287/4.7=5, 4.2/3903=1 HG2 LYS 96 - HB3 LYS 43 poor 8 76 - 10 - 3940/4.7=3 HG3 LYS 44 - HB3 LYS 123 lone 6 72 - 8 - HG2 LYS 39 - HB2 LYS 96 poor 5 44 - 12 - 6075/3.0=2, 7475/4.1=2...(4) HG2 LYS 39 - HB2 LYS 44 lone 5 61 - 8 - HG2 LYS 39 - HB3 LYS 44 lone 5 57 - 8 - HG2 LYS 96 - HB3 LYS 123 lone 3 72 - 4 - HG3 LYS 17 - HB3 LYS 123 lone 2 63 - 3 - HB3 LEU 63 - HB2 LYS 44 lone 2 87 - 2 - HB3 LEU 63 - HB3 LYS 44 lone 1 82 - 2 - HG2 LYS 39 - HB3 LYS 123 lone 1 37 - 4 - HG2 LYS 39 - HB2 LYS 43 lone 1 53 - 3 - HG3 LYS 17 - HB2 LYS 44 lone 1 94 - 1 - HG3 LYS 17 - HB3 LYS 44 lone 1 89 - 1 - HG3 LYS 17 - HB2 LYS 43 lone 1 85 - 1 - HG12 ILE 56 - HB2 LYS 96 lone 1 68 - 1 - HB2 LEU 4 - HB2 LYS 96 lone 1 83 - 1 - HB3 LEU 4 - HB2 LYS 96 lone 1 83 - 1 - HG2 LYS 39 - HB3 LYS 43 lone 1 40 - 3 - HG LEU 80 - HB2 LYS 96 lone 1 82 - 1 - HB3 LEU 4 - HB2 LYS 44 lone 1 100 - 1 - HB2 LEU 4 - HB2 LYS 44 lone 1 100 - 1 - HB2 LEU 4 - HB3 LYS 44 lone 1 97 - 1 - HB3 LEU 4 - HB3 LYS 44 lone 1 97 - 1 - HG3 LYS 17 - HB2 LYS 96 lone 1 73 - 1 - HB3 LEU 63 - HB2 LYS 96 lone 1 66 - 1 - HG12 ILE 56 - HB2 LYS 44 lone 1 90 - 1 - HG12 ILE 56 - HB3 LYS 44 lone 1 84 - 1 - HG LEU 80 - HB3 LYS 123 lone 1 71 - 1 - HG LEU 4 - HB2 LYS 96 lone 1 63 - 1 - HG3 LYS 17 - HB3 LYS 43 lone 1 67 - 1 - HG LEU 80 - HB2 LYS 44 lone 1 100 - 1 - HG LEU 80 - HB3 LYS 44 lone 0 97 - 1 - HG3 ARG 30 - HB2 LYS 44 lone 1 81 - 1 - HG3 ARG 30 - HB3 LYS 44 lone 0 75 - 1 - HG12 ILE 56 - HB2 LYS 43 lone 0 80 - 1 - HG LEU 4 - HB2 LYS 44 lone 0 84 - 1 - HB3 LYS 61 - HB2 LYS 44 lone 0 98 - 0 - HB3 LEU 63 - HB2 LYS 43 lone 0 77 - 1 - HB3 LYS 61 - HB3 LYS 44 lone 0 94 - 0 - HG LEU 4 - HB3 LYS 44 lone 0 78 - 1 - HG LEU 80 - HB2 LYS 43 lone 0 93 - 0 - HB2 LEU 4 - HB2 LYS 43 lone 0 94 - 0 - HB3 LEU 4 - HB2 LYS 43 lone 0 94 - 0 - HG3 ARG 30 - HB2 LYS 96 lone 0 60 - 1 - HG12 ILE 56 - HB3 LYS 43 lone 0 63 - 1 - HB3 LEU 63 - HB3 LYS 43 lone 0 60 - 1 - HB3 LEU 63 - HB3 LYS 123 lone 0 56 - 1 - HB3 LYS 61 - HB2 LYS 96 lone 0 78 - 0 - HB2 LEU 4 - HB3 LYS 43 lone 0 76 - 0 - HB3 LEU 4 - HB3 LYS 43 lone 0 76 - 0 - HB3 LYS 61 - HB2 LYS 43 lone 0 90 - 0 - HB3 GLN 83 - HB2 LYS 44 lone 0 65 - 0 - HB3 GLN 83 - HB3 LYS 44 lone 0 61 - 0 - HG LEU 4 - HB2 LYS 43 lone 0 74 - 0 - HG3 ARG 30 - HB2 LYS 43 lone 0 71 - 0 - HG LEU 80 - HB3 LYS 43 lone 0 75 - 0 - HB3 LYS 61 - HB3 LYS 43 lone 0 72 - 0 - HB2 LEU 4 - HB3 LYS 123 lone 0 72 - 0 - HB3 LEU 4 - HB3 LYS 123 lone 0 72 - 0 - HG LEU 4 - HB3 LYS 43 lone 0 57 - 0 - HG3 ARG 30 - HB3 LYS 43 lone 0 55 - 0 - HG12 ILE 56 - HB3 LYS 123 lone 0 59 - 0 - HB3 GLN 83 - HB2 LYS 43 lone 0 57 - 0 - HB3 LYS 61 - HB3 LYS 123 lone 0 68 - 0 - HG LEU 4 - HB3 LYS 123 lone 0 54 - 0 - HG3 ARG 30 - HB3 LYS 123 lone 0 51 - 0 - HB3 GLN 83 - HB2 LYS 96 lone 0 47 - 0 - HB3 GLN 83 - HB3 LYS 43 lone 0 43 - 0 - HB3 GLN 83 - HB3 LYS 123 lone 0 40 - 0 - Peak 3916 from cnoeabs.peaks (1.70, 1.91, 32.07 ppm; 2.66 A): 5 out of 126 assignments used, quality = 1.00: HD3 LYS 44 + HB2 LYS 44 OK 79 100 - 79 - 3.7=38, 3954/2.9=6...(39) * HD2 LYS 44 + HB2 LYS 44 OK 79 100 - 79 - 3.7=38, 3954/2.9=6...(39) HD3 LYS 44 + HB3 LYS 44 OK 76 97 - 79 - 3.7=38, 3954/2.9=6...(38) HD2 LYS 44 + HB3 LYS 44 OK 76 97 - 78 - 3.7=38, 3954/2.9=6...(38) HG3 LYS 123 + HB3 LYS 123 OK 65 72 - 90 - 2.9=74, 7114/3.8=11...(29) HD3 LYS 43 - HB2 LYS 43 OK 41 60 - 68 - 3.8=33, 2.9/3824=5...(28) HD3 LYS 96 - HB2 LYS 96 OK 37 47 - 79 - 3.4=46, ~6097=4, ~6098=4...(36) HD3 LYS 44 - HB2 LYS 96 OK 36 82 - 43 - 3953=3, 3964/2.9=2...(16) HD2 LYS 44 - HB2 LYS 96 OK 35 83 - 43 - 3953=3, 3954/2.9=2...(16) HD3 LYS 43 - HB3 LYS 43 OK 31 46 - 67 - 3.8=33, 2.9/3824=4...(27) HD3 LYS 96 - HB2 LYS 44 OK 23 65 - 36 - 3.0/3915=1, 3906/3.0=1...(4) HD3 LYS 96 - HB3 LYS 44 OK 21 61 - 35 - 3.0/3915=1, 3906/3.0=1...(4) HD2 LYS 20 - HB2 LYS 43 OK 17 74 - 23 - ~3063=1, ~3814=1...(4) HD3 LYS 20 - HB2 LYS 43 OK 16 71 - 23 - ~3063=1, ~3814=1...(4) HG3 LYS 123 - HB2 LYS 44 OK 14 100 - 14 - 2.9/7120=2, 2.9/7130=2, ~7120=1 HG3 LYS 123 - HB3 LYS 44 OK 14 97 - 14 - 2.9/7120=2, 2.9/7130=2, ~7120=1 HD2 LYS 20 - HB3 LYS 43 OK 13 57 - 22 - ~3063=1, ~3814=1...(4) HD3 LYS 20 - HB3 LYS 43 OK 12 55 - 22 - ~3063=1, ~3814=1...(4) HD3 LYS 39 - HB2 LYS 44 OK 11 99 - 11 - HD2 LYS 39 - HB2 LYS 44 OK 11 99 - 11 - HD2 LYS 44 - HB2 LYS 43 OK 11 94 - 11 - 3950/4.7=3 HD3 LYS 44 - HB2 LYS 43 OK 11 94 - 11 - 3950/4.7=3 HD3 LYS 39 - HB3 LYS 44 OK 10 96 - 11 - HD2 LYS 73 - HB2 LYS 43 OK 10 64 - 16 - HD2 LYS 39 - HB3 LYS 44 OK 10 95 - 11 - HD3 LYS 73 - HB2 LYS 43 poor 10 60 - 16 - HG3 LYS 39 - HB2 LYS 96 poor 9 82 - 10 - 7476/4.1=2, 3598/4.6=2 HD2 LYS 44 - HB3 LYS 43 poor 8 77 - 11 - 3950/4.7=3 HD3 LYS 44 - HB3 LYS 43 poor 8 76 - 11 - 3950/4.7=3 HD3 LYS 39 - HB2 LYS 96 lone 8 81 - 10 - HD2 LYS 39 - HB2 LYS 96 lone 8 80 - 10 - HD2 LYS 20 - HB2 LYS 96 poor 8 63 - 12 - HD2 LYS 44 - HB3 LYS 123 poor 8 72 - 11 - HD3 LYS 44 - HB3 LYS 123 poor 8 72 - 11 - HD2 LYS 73 - HB3 LYS 43 poor 7 49 - 15 - HD3 LYS 20 - HB2 LYS 96 poor 7 60 - 12 - HG3 LYS 39 - HB2 LYS 44 lone 7 100 - 7 - HD3 LYS 73 - HB3 LYS 43 poor 7 46 - 15 - HG3 LYS 39 - HB3 LYS 44 lone 7 97 - 7 - HD2 LYS 73 - HB2 LYS 96 poor 7 54 - 12 - HD3 LYS 43 - HB2 LYS 44 lone 6 70 - 9 - 1289/4.0=1 HD3 LYS 73 - HB2 LYS 96 poor 6 51 - 12 - HD3 LYS 43 - HB3 LYS 44 lone 6 64 - 9 - 1289/4.0=1 HD2 LYS 73 - HB2 LYS 44 lone 6 73 - 7 - HD3 LYS 43 - HB2 LYS 96 poor 5 51 - 11 - HD3 LYS 96 - HB2 LYS 43 lone 5 57 - 9 - HD3 LYS 73 - HB2 LYS 44 lone 5 70 - 7 - HD2 LYS 40 - HB2 LYS 43 lone 5 53 - 10 - HD3 LYS 39 - HB3 LYS 123 lone 5 71 - 7 - HD2 LYS 39 - HB3 LYS 123 lone 5 70 - 7 - HD2 LYS 73 - HB3 LYS 44 lone 5 68 - 7 - HG3 LYS 39 - HB3 LYS 123 lone 5 72 - 6 - 7114/3.8=1, 7122/3.8=1 HD3 LYS 73 - HB3 LYS 44 lone 4 64 - 7 - HG3 LYS 123 - HB2 LYS 96 lone 4 82 - 5 - HD3 LYS 96 - HB3 LYS 43 lone 4 43 - 9 - HD2 LYS 40 - HB3 LYS 43 lone 4 40 - 9 - HG12 ILE 71 - HB3 LYS 123 lone 4 67 - 6 - ~10612=2 HD2 LYS 40 - HB2 LYS 96 lone 3 44 - 8 - 5.3/8064=1 HD3 LYS 39 - HB2 LYS 43 lone 3 92 - 3 - HD2 LYS 39 - HB2 LYS 43 lone 3 91 - 3 - HD2 LYS 20 - HB2 LYS 44 lone 3 84 - 3 - HD3 LYS 20 - HB2 LYS 44 lone 3 81 - 3 - HG3 LYS 123 - HB2 LYS 43 lone 3 94 - 3 - HD3 LYS 39 - HB3 LYS 43 lone 3 75 - 3 - HD2 LYS 39 - HB3 LYS 43 lone 2 74 - 3 - HD2 LYS 20 - HB3 LYS 44 lone 2 78 - 3 - HD3 LYS 16 - HB3 LYS 123 lone 2 56 - 4 - HD3 LYS 20 - HB3 LYS 44 lone 2 75 - 3 - HG3 LYS 39 - HB2 LYS 43 lone 2 94 - 2 - HD2 LYS 16 - HB3 LYS 123 lone 2 49 - 4 - HG3 LYS 123 - HB3 LYS 43 lone 2 76 - 2 - HD3 LYS 16 - HB2 LYS 96 lone 2 66 - 3 - HG12 ILE 71 - HB2 LYS 96 lone 2 77 - 2 - HG3 LYS 39 - HB3 LYS 43 lone 2 76 - 2 - HD2 LYS 16 - HB2 LYS 96 lone 2 57 - 3 - HD3 LYS 16 - HB2 LYS 44 lone 1 87 - 2 - HD3 LYS 96 - HB3 LYS 123 lone 1 40 - 4 - HD3 LYS 16 - HB3 LYS 44 lone 1 82 - 2 - HD2 LYS 16 - HB2 LYS 44 lone 1 77 - 2 - HD2 LYS 16 - HB3 LYS 44 lone 1 72 - 2 - HG12 ILE 71 - HB2 LYS 44 lone 1 97 - 1 - HG12 ILE 71 - HB3 LYS 44 lone 1 93 - 1 - HD2 LYS 40 - HB2 LYS 44 lone 1 61 - 2 - HG LEU 74 - HB3 LYS 123 lone 1 71 - 1 - HD3 LYS 16 - HB2 LYS 43 lone 1 77 - 1 - HD2 LYS 40 - HB3 LYS 44 lone 1 57 - 2 - HD2 LYS 16 - HB2 LYS 43 lone 1 68 - 1 - HD3 LYS 16 - HB3 LYS 43 lone 1 60 - 1 - HB ILE 56 - HB2 LYS 96 lone 1 66 - 1 - HD2 LYS 16 - HB3 LYS 43 lone 1 52 - 1 - HD2 LYS 40 - HB3 LYS 123 lone 1 37 - 1 - HG LEU 74 - HB2 LYS 44 lone 0 100 - 0 - HG LEU 74 - HB3 LYS 44 lone 0 97 - 0 - HD3 LYS 43 - HB3 LYS 123 lone 1 43 - 1 - HD2 LYS 20 - HB3 LYS 123 lone 0 54 - 1 - HD3 LYS 20 - HB3 LYS 123 lone 0 51 - 1 - HB ILE 56 - HB2 LYS 44 lone 0 87 - 0 - HB ILE 56 - HB3 LYS 44 lone 0 82 - 0 - HG12 ILE 71 - HB2 LYS 43 lone 0 89 - 0 - HD2 LYS 73 - HB3 LYS 123 lone 0 46 - 1 - HB ILE 56 - HB2 LYS 43 lone 0 77 - 0 - HD3 LYS 73 - HB3 LYS 123 lone 0 43 - 1 - HB3 LYS 106 - HB2 LYS 44 lone 0 81 - 0 - HG12 ILE 71 - HB3 LYS 43 lone 0 71 - 0 - HB3 LYS 106 - HB3 LYS 44 lone 0 75 - 0 - HG LEU 74 - HB2 LYS 43 lone 0 93 - 0 - HB ILE 56 - HB3 LYS 43 lone 0 60 - 0 - HB2 LYS 106 - HB2 LYS 44 lone 0 73 - 0 - HG LEU 74 - HB2 LYS 96 lone 0 82 - 0 - HB2 LYS 106 - HB3 LYS 44 lone 0 68 - 0 - HB3 LYS 106 - HB2 LYS 96 lone 0 60 - 0 - HG LEU 74 - HB3 LYS 43 lone 0 75 - 0 - HB ILE 54 - HB2 LYS 44 lone 0 61 - 0 - HB3 LYS 106 - HB3 LYS 123 lone 0 51 - 0 - HB ILE 54 - HB3 LYS 44 lone 0 57 - 0 - HB ILE 56 - HB3 LYS 123 lone 0 56 - 0 - HB3 LYS 106 - HB2 LYS 43 lone 0 71 - 0 - HB2 LYS 106 - HB3 LYS 123 lone 0 46 - 0 - HB2 LYS 106 - HB2 LYS 96 lone 0 54 - 0 - HB ILE 54 - HB3 LYS 123 lone 0 37 - 0 - HB2 LYS 106 - HB2 LYS 43 lone 0 64 - 0 - HB ILE 54 - HB2 LYS 96 lone 0 44 - 0 - HB ILE 54 - HB2 LYS 43 lone 0 53 - 0 - HB3 LYS 106 - HB3 LYS 43 lone 0 55 - 0 - HB2 LYS 106 - HB3 LYS 43 lone 0 49 - 0 - HB ILE 54 - HB3 LYS 43 lone 0 40 - 0 - Peak 3917 from cnoeabs.peaks (1.70, 1.91, 32.07 ppm; 2.66 A): 5 out of 108 assignments used, quality = 1.00: * HD3 LYS 44 + HB2 LYS 44 OK 79 100 - 79 - 3.7=38, 3954/2.9=6...(39) HD2 LYS 44 + HB2 LYS 44 OK 79 100 - 79 - 3.7=38, 3954/2.9=6...(39) HD3 LYS 44 + HB3 LYS 44 OK 77 97 - 79 - 3.7=38, 3954/2.9=6...(38) HD2 LYS 44 + HB3 LYS 44 OK 76 97 - 78 - 3.7=38, 3954/2.9=6...(38) HG3 LYS 123 + HB3 LYS 123 OK 63 71 - 90 - 2.9=74, 7114/3.8=11...(29) HD3 LYS 43 - HB2 LYS 43 OK 36 53 - 68 - 3.8=33, 2.9/3824=5...(26) HD3 LYS 44 - HB2 LYS 96 OK 36 83 - 43 - 3953=3, 3964/2.9=2...(16) HD2 LYS 44 - HB2 LYS 96 OK 35 82 - 43 - 3953=3, 3954/2.9=2...(15) HD3 LYS 43 - HB3 LYS 43 OK 27 40 - 67 - 3.8=33, 2.9/3824=4...(26) HD2 LYS 20 - HB2 LYS 43 OK 15 68 - 23 - ~3063=1, ~3814=1...(4) HD3 LYS 20 - HB2 LYS 43 OK 14 64 - 23 - ~3063=1, ~3814=1...(4) HG3 LYS 123 - HB2 LYS 44 OK 14 99 - 14 - 2.9/7120=2, 2.9/7130=2, ~7120=1 HG3 LYS 123 - HB3 LYS 44 OK 14 96 - 14 - 2.9/7120=2, 2.9/7130=2, ~7120=1 HD2 LYS 20 - HB3 LYS 43 OK 11 52 - 22 - ~3063=1, ~3814=1...(4) HD3 LYS 39 - HB2 LYS 44 OK 11 100 - 11 - HD2 LYS 39 - HB2 LYS 44 OK 11 100 - 11 - HD3 LYS 44 - HB2 LYS 43 OK 11 94 - 11 - 3950/4.7=3 HD2 LYS 44 - HB2 LYS 43 OK 10 94 - 11 - 3950/4.7=3 HD3 LYS 20 - HB3 LYS 43 OK 10 49 - 22 - ~3063=1, ~3814=1...(4) HD3 LYS 39 - HB3 LYS 44 OK 10 97 - 11 - HD2 LYS 39 - HB3 LYS 44 OK 10 97 - 11 - HD2 LYS 73 - HB2 LYS 43 poor 9 57 - 16 - HD3 LYS 44 - HB3 LYS 43 poor 8 77 - 11 - 3950/4.7=3 HD2 LYS 44 - HB3 LYS 43 poor 8 76 - 11 - 3950/4.7=3 HG3 LYS 39 - HB2 LYS 96 poor 8 81 - 10 - 7476/4.1=2, 3598/4.6=2 HD3 LYS 73 - HB2 LYS 43 poor 8 53 - 16 - HD3 LYS 39 - HB2 LYS 96 lone 8 82 - 10 - 7477/4.1=1 HD2 LYS 39 - HB2 LYS 96 lone 8 82 - 10 - 7477/4.1=1 HD3 LYS 44 - HB3 LYS 123 poor 8 72 - 11 - HD2 LYS 44 - HB3 LYS 123 poor 8 72 - 11 - HG3 LYS 39 - HB2 LYS 44 lone 7 99 - 7 - HD2 LYS 20 - HB2 LYS 96 poor 7 57 - 12 - HG3 LYS 39 - HB3 LYS 44 lone 7 96 - 7 - HD3 LYS 20 - HB2 LYS 96 poor 6 54 - 12 - HD2 LYS 73 - HB3 LYS 43 poor 6 43 - 15 - HD3 LYS 73 - HB3 LYS 43 poor 6 40 - 15 - HD2 LYS 73 - HB2 LYS 96 poor 6 47 - 12 - HD3 LYS 43 - HB2 LYS 44 lone 5 61 - 9 - 1289/4.0=1 HD3 LYS 73 - HB2 LYS 96 poor 5 44 - 12 - HD3 LYS 39 - HB3 LYS 123 lone 5 72 - 7 - HD2 LYS 39 - HB3 LYS 123 lone 5 71 - 7 - HD2 LYS 73 - HB2 LYS 44 lone 5 65 - 7 - HD3 LYS 43 - HB3 LYS 44 lone 5 57 - 9 - 1289/4.0=1 HD3 LYS 73 - HB2 LYS 44 lone 5 61 - 7 - HD3 LYS 43 - HB2 LYS 96 poor 5 44 - 10 - HG3 LYS 39 - HB3 LYS 123 lone 4 71 - 6 - 7114/3.8=1, 7122/3.8=1 HD2 LYS 73 - HB3 LYS 44 lone 4 61 - 7 - HG3 LYS 123 - HB2 LYS 96 lone 4 81 - 5 - HD3 LYS 73 - HB3 LYS 44 lone 4 57 - 7 - HG12 ILE 71 - HB3 LYS 123 lone 3 63 - 6 - ~10612=2 HD3 LYS 39 - HB2 LYS 43 lone 3 94 - 3 - HD2 LYS 39 - HB2 LYS 43 lone 3 93 - 3 - HD3 LYS 39 - HB3 LYS 43 lone 3 76 - 3 - HD2 LYS 20 - HB2 LYS 44 lone 3 77 - 3 - HD2 LYS 39 - HB3 LYS 43 lone 3 75 - 3 - HG3 LYS 123 - HB2 LYS 43 lone 3 92 - 3 - HD3 LYS 20 - HB2 LYS 44 lone 2 73 - 3 - HD2 LYS 20 - HB3 LYS 44 lone 2 72 - 3 - HD3 LYS 16 - HB3 LYS 123 lone 2 51 - 4 - HD3 LYS 20 - HB3 LYS 44 lone 2 68 - 3 - HG3 LYS 123 - HB3 LYS 43 lone 2 75 - 2 - HG3 LYS 39 - HB2 LYS 43 lone 2 92 - 2 - HD2 LYS 16 - HB3 LYS 123 lone 2 43 - 4 - HG12 ILE 71 - HB2 LYS 96 lone 2 73 - 2 - HD3 LYS 16 - HB2 LYS 96 lone 2 60 - 3 - HG3 LYS 39 - HB3 LYS 43 lone 1 75 - 2 - HD2 LYS 16 - HB2 LYS 96 lone 1 51 - 3 - HD3 LYS 16 - HB2 LYS 44 lone 1 81 - 2 - HD3 LYS 16 - HB3 LYS 44 lone 1 75 - 2 - HD2 LYS 16 - HB2 LYS 44 lone 1 70 - 2 - HG12 ILE 71 - HB2 LYS 44 lone 1 94 - 1 - HG12 ILE 71 - HB3 LYS 44 lone 1 89 - 1 - HD2 LYS 16 - HB3 LYS 44 lone 1 64 - 2 - HG LEU 74 - HB3 LYS 123 lone 1 72 - 1 - HD3 LYS 16 - HB2 LYS 43 lone 1 71 - 1 - HD2 LYS 16 - HB2 LYS 43 lone 1 60 - 1 - HD3 LYS 16 - HB3 LYS 43 lone 1 55 - 1 - HB ILE 56 - HB2 LYS 96 lone 1 60 - 1 - HG LEU 74 - HB2 LYS 44 lone 0 100 - 0 - HG LEU 74 - HB3 LYS 44 lone 0 97 - 0 - HD2 LYS 16 - HB3 LYS 43 lone 1 46 - 1 - HD2 LYS 20 - HB3 LYS 123 lone 0 49 - 1 - HD3 LYS 43 - HB3 LYS 123 lone 0 37 - 1 - HB ILE 56 - HB2 LYS 44 lone 0 81 - 0 - HD3 LYS 20 - HB3 LYS 123 lone 0 46 - 1 - HG12 ILE 71 - HB2 LYS 43 lone 0 85 - 0 - HB ILE 56 - HB3 LYS 44 lone 0 75 - 0 - HB3 LYS 106 - HB2 LYS 44 lone 0 87 - 0 - HB3 LYS 106 - HB3 LYS 44 lone 0 82 - 0 - HB2 LYS 106 - HB2 LYS 44 lone 0 81 - 0 - HD2 LYS 73 - HB3 LYS 123 lone 0 40 - 1 - HB ILE 56 - HB2 LYS 43 lone 0 71 - 0 - HG LEU 74 - HB2 LYS 43 lone 0 94 - 0 - HB2 LYS 106 - HB3 LYS 44 lone 0 75 - 0 - HG12 ILE 71 - HB3 LYS 43 lone 0 67 - 0 - HD3 LYS 73 - HB3 LYS 123 lone 0 37 - 1 - HG LEU 74 - HB2 LYS 96 lone 0 83 - 0 - HB3 LYS 106 - HB2 LYS 96 lone 0 66 - 0 - HB3 LYS 106 - HB3 LYS 123 lone 0 56 - 0 - HB ILE 56 - HB3 LYS 43 lone 0 55 - 0 - HG LEU 74 - HB3 LYS 43 lone 0 76 - 0 - HB2 LYS 106 - HB3 LYS 123 lone 0 51 - 0 - HB2 LYS 106 - HB2 LYS 96 lone 0 60 - 0 - HB3 LYS 106 - HB2 LYS 43 lone 0 77 - 0 - HB2 LYS 106 - HB2 LYS 43 lone 0 71 - 0 - HB ILE 56 - HB3 LYS 123 lone 0 51 - 0 - HB3 LYS 106 - HB3 LYS 43 lone 0 60 - 0 - HB2 LYS 106 - HB3 LYS 43 lone 0 55 - 0 - Peak 3918 from cnoeabs.peaks (2.93, 1.91, 32.07 ppm; 3.67 A): 12 out of 54 assignments used, quality = 1.00: * HE2 LYS 44 + HB2 LYS 44 OK 88 100 - 88 - 5.0=40, 3.7/3915=6...(58) HE3 LYS 44 + HB2 LYS 44 OK 88 100 - 88 - 5.0=40, 3.7/3915=6...(58) HE2 LYS 44 + HB3 LYS 44 OK 85 97 - 88 - 5.0=40, 3.7/3915=6...(58) HE3 LYS 44 + HB3 LYS 44 OK 85 97 - 88 - 5.0=40, 3.7/3915=6...(58) HE3 LYS 96 + HB2 LYS 96 OK 75 83 - 90 - 4.9=42, 6099/1.8=7...(59) HE2 LYS 96 + HB2 LYS 96 OK 75 83 - 90 - 4.9=42, 6099/1.8=7...(59) HE3 LYS 96 + HB2 LYS 44 OK 56 100 - 56 - 3909/3.0=3, 3939/2.9=3...(36) HE2 LYS 96 + HB2 LYS 44 OK 56 100 - 56 - 3909/3.0=3, 3939/2.9=3...(36) HE3 LYS 44 + HB2 LYS 96 OK 56 83 - 67 - 6100/1.8=6, 6079/3.0=4...(48) HE2 LYS 44 + HB2 LYS 96 OK 56 83 - 67 - 6100/1.8=6, 6079/3.0=4...(48) HE2 LYS 96 + HB3 LYS 44 OK 53 97 - 55 - 3909/3.0=3, 3938/2.9=3...(37) HE3 LYS 96 + HB3 LYS 44 OK 53 97 - 55 - 3909/3.0=3, 3938/2.9=3...(37) HE2 LYS 96 - HB2 LYS 43 OK 13 94 - 14 - 1291/4.7=2 HE3 LYS 96 - HB2 LYS 43 OK 13 94 - 14 - 1291/4.7=2 HE3 LYS 44 - HB2 LYS 43 OK 12 94 - 13 - 1291/4.7=3 HE2 LYS 44 - HB2 LYS 43 OK 12 94 - 13 - 1291/4.7=3 HE3 LYS 96 - HB3 LYS 43 OK 10 77 - 13 - 1291/4.7=2 HE2 LYS 96 - HB3 LYS 43 OK 10 77 - 13 - 1291/4.7=2 HE3 LYS 44 - HB3 LYS 43 poor 10 77 - 13 - 1291/4.7=3 HE2 LYS 44 - HB3 LYS 43 poor 10 77 - 13 - 1291/4.7=3 HE2 LYS 65 - HB2 LYS 96 poor 9 60 - 14 - 6099/1.8=1 HE3 LYS 65 - HB2 LYS 96 poor 9 60 - 14 - 6099/1.8=1 HE3 LYS 44 - HB3 LYS 123 poor 8 72 - 11 - HE2 LYS 44 - HB3 LYS 123 poor 8 72 - 11 - HE3 LYS 94 - HB2 LYS 43 lone 5 74 - 6 - ~11106=2, ~8085=2 HE3 LYS 94 - HB3 LYS 43 lone 4 57 - 6 - ~11106=2, ~8085=2 HE2 LYS 96 - HB3 LYS 123 lone 3 72 - 3 - HE3 LYS 96 - HB3 LYS 123 lone 3 72 - 3 - HE2 LYS 65 - HB2 LYS 44 lone 2 81 - 3 - HE3 LYS 65 - HB2 LYS 44 lone 2 81 - 3 - HE2 LYS 65 - HB3 LYS 44 lone 2 75 - 3 - HE3 LYS 65 - HB3 LYS 44 lone 2 75 - 3 - HE3 LYS 94 - HB2 LYS 44 lone 2 84 - 3 - HE3 LYS 94 - HB3 LYS 44 lone 2 78 - 3 - HE3 LYS 94 - HB2 LYS 96 lone 2 63 - 3 - HE2 LYS 65 - HB3 LYS 123 lone 2 51 - 3 - HE3 LYS 65 - HB3 LYS 123 lone 2 51 - 3 - HE3 LYS 94 - HB3 LYS 123 lone 1 54 - 2 - HD3 ARG 30 - HB2 LYS 44 lone 1 100 - 1 - HD3 ARG 30 - HB3 LYS 44 lone 1 97 - 1 - HD3 ARG 30 - HB2 LYS 96 lone 1 82 - 1 - HD3 ARG 30 - HB2 LYS 43 lone 1 93 - 1 - HB2 ASP 86 - HB2 LYS 44 lone 1 100 - 1 - HB2 ASP 86 - HB3 LYS 44 lone 1 97 - 1 - HE2 LYS 65 - HB2 LYS 43 lone 1 71 - 1 - HE3 LYS 65 - HB2 LYS 43 lone 1 71 - 1 - HD3 ARG 30 - HB3 LYS 43 lone 0 75 - 1 - HB2 ASP 86 - HB2 LYS 96 lone 0 82 - 1 - HB2 ASP 86 - HB2 LYS 43 lone 0 93 - 0 - HE3 LYS 65 - HB3 LYS 43 lone 0 55 - 1 - HE2 LYS 65 - HB3 LYS 43 lone 0 55 - 1 - HB2 ASP 86 - HB3 LYS 43 lone 0 75 - 0 - HD3 ARG 30 - HB3 LYS 123 lone 0 71 - 0 - HB2 ASP 86 - HB3 LYS 123 lone 0 71 - 0 - Peak 3919 from cnoeabs.peaks (2.93, 1.91, 32.07 ppm; 3.67 A): 12 out of 54 assignments used, quality = 1.00: HE2 LYS 44 + HB2 LYS 44 OK 88 100 - 88 - 5.0=40, 3.7/3915=6...(58) * HE3 LYS 44 + HB2 LYS 44 OK 88 100 - 88 - 5.0=40, 3.7/3915=6...(58) HE2 LYS 44 + HB3 LYS 44 OK 85 97 - 88 - 5.0=40, 3.7/3915=6...(58) HE3 LYS 44 + HB3 LYS 44 OK 85 97 - 88 - 5.0=40, 3.7/3915=6...(58) HE3 LYS 96 + HB2 LYS 96 OK 75 83 - 90 - 4.9=42, 6099/1.8=7...(59) HE2 LYS 96 + HB2 LYS 96 OK 75 83 - 90 - 4.9=42, 6099/1.8=7...(59) HE3 LYS 96 + HB2 LYS 44 OK 56 100 - 56 - 3909/3.0=3, 3939/2.9=3...(36) HE2 LYS 96 + HB2 LYS 44 OK 56 100 - 56 - 3909/3.0=3, 3939/2.9=3...(36) HE3 LYS 44 + HB2 LYS 96 OK 56 83 - 67 - 6100/1.8=6, 6079/3.0=4...(48) HE2 LYS 44 + HB2 LYS 96 OK 56 83 - 67 - 6100/1.8=6, 6079/3.0=4...(48) HE2 LYS 96 + HB3 LYS 44 OK 53 97 - 55 - 3909/3.0=3, 3938/2.9=3...(37) HE3 LYS 96 + HB3 LYS 44 OK 53 97 - 55 - 3909/3.0=3, 3938/2.9=3...(37) HE2 LYS 96 - HB2 LYS 43 OK 13 94 - 14 - 1291/4.7=2 HE3 LYS 96 - HB2 LYS 43 OK 13 94 - 14 - 1291/4.7=2 HE3 LYS 44 - HB2 LYS 43 OK 12 94 - 13 - 1291/4.7=3 HE2 LYS 44 - HB2 LYS 43 OK 12 94 - 13 - 1291/4.7=3 HE3 LYS 96 - HB3 LYS 43 OK 10 77 - 13 - 1291/4.7=2 HE2 LYS 96 - HB3 LYS 43 OK 10 77 - 13 - 1291/4.7=2 HE3 LYS 44 - HB3 LYS 43 poor 10 77 - 13 - 1291/4.7=3 HE2 LYS 44 - HB3 LYS 43 poor 10 77 - 13 - 1291/4.7=3 HE2 LYS 65 - HB2 LYS 96 poor 9 60 - 14 - 6099/1.8=1 HE3 LYS 65 - HB2 LYS 96 poor 9 60 - 14 - 6099/1.8=1 HE3 LYS 44 - HB3 LYS 123 poor 8 72 - 11 - HE2 LYS 44 - HB3 LYS 123 poor 8 72 - 11 - HE3 LYS 94 - HB2 LYS 43 lone 5 74 - 6 - ~11106=2, ~8085=2 HE3 LYS 94 - HB3 LYS 43 lone 4 57 - 6 - ~11106=2, ~8085=2 HE2 LYS 96 - HB3 LYS 123 lone 3 72 - 3 - HE3 LYS 96 - HB3 LYS 123 lone 3 72 - 3 - HE2 LYS 65 - HB2 LYS 44 lone 2 81 - 3 - HE3 LYS 65 - HB2 LYS 44 lone 2 81 - 3 - HE2 LYS 65 - HB3 LYS 44 lone 2 75 - 3 - HE3 LYS 65 - HB3 LYS 44 lone 2 75 - 3 - HE3 LYS 94 - HB2 LYS 44 lone 2 84 - 3 - HE3 LYS 94 - HB3 LYS 44 lone 2 78 - 3 - HE3 LYS 94 - HB2 LYS 96 lone 2 63 - 3 - HE2 LYS 65 - HB3 LYS 123 lone 2 51 - 3 - HE3 LYS 65 - HB3 LYS 123 lone 2 51 - 3 - HE3 LYS 94 - HB3 LYS 123 lone 1 54 - 2 - HD3 ARG 30 - HB2 LYS 44 lone 1 100 - 1 - HD3 ARG 30 - HB3 LYS 44 lone 1 97 - 1 - HD3 ARG 30 - HB2 LYS 96 lone 1 82 - 1 - HD3 ARG 30 - HB2 LYS 43 lone 1 93 - 1 - HB2 ASP 86 - HB2 LYS 44 lone 1 100 - 1 - HB2 ASP 86 - HB3 LYS 44 lone 1 97 - 1 - HE2 LYS 65 - HB2 LYS 43 lone 1 71 - 1 - HE3 LYS 65 - HB2 LYS 43 lone 1 71 - 1 - HD3 ARG 30 - HB3 LYS 43 lone 0 75 - 1 - HB2 ASP 86 - HB2 LYS 96 lone 0 82 - 1 - HB2 ASP 86 - HB2 LYS 43 lone 0 93 - 0 - HE3 LYS 65 - HB3 LYS 43 lone 0 55 - 1 - HE2 LYS 65 - HB3 LYS 43 lone 0 55 - 1 - HB2 ASP 86 - HB3 LYS 43 lone 0 75 - 0 - HD3 ARG 30 - HB3 LYS 123 lone 0 71 - 0 - HB2 ASP 86 - HB3 LYS 123 lone 0 71 - 0 - Peak 3920 from cnoeabs.peaks (7.45, 1.91, 32.07 ppm; 3.16 A): 4 out of 8 assignments used, quality = 1.00: * H LYS 44 + HB3 LYS 44 OK 82 100 - 82 - 4.0=48, 261/4.7=13...(24) H LYS 44 + HB2 LYS 44 OK 80 97 - 82 - 4.0=48, 261/4.7=13...(24) H LYS 44 + HB2 LYS 43 OK 65 97 - 67 - 4.7=31, 252/3.0=21...(10) H LYS 44 + HB3 LYS 43 OK 62 92 - 68 - 4.7=31, 252/3.0=21...(10) H LYS 44 - HB2 LYS 96 OK 31 97 - 32 - 1287/2.9=6, 1286/2.9=6...(12) H LYS 44 - HB2 LYS 73 lone 6 75 - 7 - 1286/2.9=1 H LYS 44 - HB3 LYS 73 lone 5 70 - 7 - 1286/2.9=1 H LYS 44 - HB3 LYS 123 lone 4 61 - 7 - 1286/2.9=2 Peak 3921 from cnoeabs.peaks (4.06, 1.91, 32.07 ppm; 2.72 A): 3 out of 64 assignments used, quality = 1.00: * HA LYS 44 + HB3 LYS 44 OK 89 100 - 89 - 3.0=76, 3902/1.8=8...(25) HA LYS 44 + HB2 LYS 44 OK 87 97 - 89 - 3.0=76, 3902/1.8=7...(25) HA LYS 96 + HB2 LYS 96 OK 87 96 - 90 - 3.0=79, 6076/2.9=8...(18) HA LYS 96 - HB3 LYS 44 OK 34 99 - 34 - 6073=6, 6075/2.9=4...(14) HA LYS 96 - HB2 LYS 44 OK 32 96 - 34 - 6073=5, 6075/2.9=4...(16) HA LYS 44 - HB2 LYS 43 OK 30 97 - 31 - ~252=4, 3902=4...(15) HA LYS 44 - HB3 LYS 43 OK 29 92 - 32 - ~252=4, 3903=4...(15) HA LYS 44 - HB2 LYS 96 OK 27 97 - 28 - 3905/2.9=4, 3903=3...(12) HA GLU 69 - HB2 LYS 73 poor 7 71 - 11 - 2127/4.0=4, 3903=1 HA GLU 69 - HB3 LYS 73 poor 7 66 - 11 - 2127/4.0=4, 3903=1 HA LYS 44 - HB2 LYS 73 lone 6 75 - 8 - 2127/4.0=2 HA LYS 44 - HB3 LYS 73 lone 6 70 - 8 - 2127/4.0=2 HA LYS 96 - HB2 LYS 43 lone 6 95 - 6 - HA LYS 96 - HB3 LYS 43 lone 5 91 - 6 - HA LYS 44 - HB3 LYS 123 lone 5 61 - 8 - 8046/1.8=1, 3904/2.9=1 HA LYS 96 - HB2 LYS 73 lone 5 73 - 7 - 6073=1 HA LYS 96 - HB3 LYS 73 lone 5 68 - 7 - 6073=1 HA LYS 96 - HB3 LYS 123 lone 4 60 - 7 - 8046/1.8=1, 6073=1 HA GLU 69 - HB3 LYS 123 lone 4 58 - 7 - 8046/1.8=1 HA GLU 69 - HB3 LYS 44 lone 4 98 - 4 - HA GLU 69 - HB2 LYS 44 lone 3 94 - 4 - HA3 GLY 125 - HB2 LYS 96 lone 3 97 - 3 - HA2 GLY 125 - HB2 LYS 96 lone 3 89 - 3 - HA GLU 69 - HB2 LYS 43 lone 2 93 - 3 - HA3 GLY 125 - HB3 LYS 44 lone 2 100 - 2 - HA3 GLY 125 - HB2 LYS 44 lone 2 97 - 2 - HA2 GLY 125 - HB3 LYS 44 lone 2 94 - 2 - HA GLU 69 - HB3 LYS 43 lone 2 88 - 2 - HA3 GLY 125 - HB3 LYS 123 lone 2 61 - 4 - 3.6/10639=2 HA2 GLY 125 - HB2 LYS 44 lone 2 89 - 2 - HA2 GLY 125 - HB3 LYS 123 lone 2 53 - 3 - 3.6/10639=2 HA GLU 91 - HB2 LYS 96 lone 1 82 - 2 - HA GLU 69 - HB2 LYS 96 lone 1 94 - 1 - HA GLU 91 - HB3 LYS 44 lone 1 87 - 2 - HA SER 35 - HB2 LYS 96 lone 1 72 - 2 - HA GLU 91 - HB2 LYS 44 lone 1 82 - 2 - HA GLU 37 - HB2 LYS 96 lone 1 97 - 1 - HA3 GLY 125 - HB2 LYS 43 lone 1 96 - 1 - HA3 GLY 125 - HB2 LYS 73 lone 1 75 - 2 - HA3 GLY 125 - HB3 LYS 43 lone 1 92 - 1 - HA2 GLY 125 - HB2 LYS 43 lone 1 88 - 1 - HA3 GLY 125 - HB3 LYS 73 lone 1 70 - 2 - HA2 GLY 125 - HB2 LYS 73 lone 1 66 - 2 - HA2 GLY 125 - HB3 LYS 43 lone 1 83 - 1 - HA2 GLY 125 - HB3 LYS 73 lone 1 61 - 2 - HA GLU 37 - HB3 LYS 44 lone 1 100 - 1 - HA GLU 37 - HB2 LYS 44 lone 1 97 - 1 - HA GLU 37 - HB2 LYS 73 lone 1 75 - 1 - HA GLU 37 - HB3 LYS 73 lone 1 70 - 1 - HA GLU 91 - HB3 LYS 123 lone 1 47 - 1 - HA SER 35 - HB3 LYS 44 lone 0 77 - 1 - HA SER 35 - HB2 LYS 73 lone 0 51 - 1 - HA GLU 37 - HB2 LYS 43 lone 0 96 - 0 - HA GLU 91 - HB2 LYS 43 lone 0 80 - 0 - HA SER 35 - HB2 LYS 44 lone 0 72 - 1 - HA GLU 37 - HB3 LYS 43 lone 0 92 - 0 - HA SER 35 - HB3 LYS 73 lone 0 47 - 1 - HA GLU 91 - HB3 LYS 43 lone 0 75 - 0 - HA SER 35 - HB2 LYS 43 lone 0 71 - 0 - HA SER 35 - HB3 LYS 43 lone 0 66 - 0 - HA GLU 91 - HB2 LYS 73 lone 0 59 - 0 - HA GLU 37 - HB3 LYS 123 lone 0 61 - 0 - HA GLU 91 - HB3 LYS 73 lone 0 55 - 0 - HA SER 35 - HB3 LYS 123 lone 0 40 - 0 - Peak 3922 from cnoeabs.peaks (1.91, 1.91, 32.07 ppm; diagonal): 7 out of 8 assignments used, quality = 1.00: HB3 LYS 44 + HB3 LYS 44 OK 99 99 - 100 HB2 LYS 44 + HB2 LYS 44 OK 97 97 - 100 HB2 LYS 43 + HB2 LYS 43 OK 95 95 - 100 HB2 LYS 96 + HB2 LYS 96 OK 87 87 - 100 HB3 LYS 43 + HB3 LYS 43 OK 81 81 - 100 HB3 LYS 123 + HB3 LYS 123 OK 60 60 - 100 HB2 LYS 73 + HB2 LYS 73 OK 48 48 - 100 HB3 LYS 73 - HB3 LYS 73 OK 41 41 - 100 Reference assignment not found: HB2 LYS 44 - HB3 LYS 44 Peak 3923 from cnoeabs.peaks (1.91, 1.91, 32.07 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: * HB3 LYS 44 + HB3 LYS 44 OK 100 100 - 100 HB2 LYS 43 + HB2 LYS 43 OK 97 97 - 100 HB2 LYS 44 + HB2 LYS 44 OK 95 95 - 100 HB2 LYS 96 + HB2 LYS 96 OK 95 95 - 100 HB3 LYS 43 + HB3 LYS 43 OK 89 89 - 100 HB2 LYS 73 + HB2 LYS 73 OK 61 61 - 100 HB3 LYS 123 + HB3 LYS 123 OK 55 55 - 100 HB3 LYS 73 + HB3 LYS 73 OK 55 55 - 100 Peak 3924 from cnoeabs.peaks (1.58, 1.91, 32.07 ppm; 2.82 A): 6 out of 96 assignments used, quality = 1.00: * HG2 LYS 44 + HB3 LYS 44 OK 95 100 - 95 - 2.9=88, 1286/4.0=7...(32) HG2 LYS 44 + HB2 LYS 44 OK 93 97 - 95 - 2.9=88, 1286/4.0=7...(32) HG3 LYS 96 + HB2 LYS 96 OK 79 82 - 97 - 2.9=93, 6076/3.0=7...(28) HG2 LYS 123 + HB3 LYS 123 OK 54 56 - 96 - 2.9=88, 7104/3.8=12...(37) HG2 LYS 73 + HB2 LYS 73 OK 50 51 - 98 - 2.9=96, 1480/4.0=7...(23) HG2 LYS 73 + HB3 LYS 73 OK 46 47 - 98 - 2.9=96, 1480/4.0=7...(23) HG2 LYS 44 - HB2 LYS 96 OK 32 97 - 33 - 6076/3.0=3, ~6075=3...(10) HG3 LYS 96 - HB3 LYS 44 OK 30 87 - 35 - 1286/4.0=3, 3904/3.0=3...(13) HG3 LYS 96 - HB2 LYS 44 OK 29 82 - 36 - 1286/4.0=3, 3904/3.0=3...(13) HG2 LYS 123 - HB3 LYS 44 OK 17 97 - 18 - 2.9/7120=2, 2.9/7130=2...(6) HG2 LYS 123 - HB2 LYS 44 OK 16 93 - 18 - 2.9/7120=2, 2.9/7130=2...(5) HG2 LYS 44 - HB2 LYS 43 OK 13 97 - 14 - 3930/4.7=6, 4.2/3902=1 HB3 LEU 70 - HB2 LYS 73 OK 13 59 - 22 - ~11081=5, 3.0/8158=5...(8) HG2 LYS 44 - HB3 LYS 43 OK 13 92 - 14 - 3930/4.7=6, 4.2/3903=1 HB3 LEU 70 - HB3 LYS 73 OK 12 55 - 22 - ~11081=5, 3.0/8158=5...(8) HG3 LYS 96 - HB2 LYS 43 poor 8 80 - 10 - 1286/4.7=3 HG2 LYS 73 - HB2 LYS 43 poor 8 71 - 12 - HG3 LYS 96 - HB3 LYS 43 poor 8 75 - 10 - 1286/4.7=3 HG2 LYS 73 - HB3 LYS 43 poor 7 66 - 11 - HG2 LYS 73 - HB2 LYS 96 lone 7 72 - 9 - HG2 LYS 123 - HB2 LYS 96 lone 6 93 - 6 - HG2 LYS 44 - HB3 LYS 123 lone 5 61 - 9 - 1812/3.7=1 HG2 LYS 73 - HB3 LYS 44 lone 5 77 - 7 - 265/4.7=1 HG2 LYS 73 - HB2 LYS 44 lone 5 72 - 7 - 265/4.7=1 HG3 LYS 96 - HB2 LYS 73 lone 4 59 - 7 - HG3 LYS 96 - HB3 LYS 73 lone 4 55 - 7 - HG2 LYS 44 - HB2 LYS 73 lone 3 75 - 4 - HG2 LYS 123 - HB2 LYS 43 lone 3 92 - 3 - HG2 LYS 44 - HB3 LYS 73 lone 3 70 - 4 - HG2 LYS 123 - HB3 LYS 43 lone 3 87 - 3 - HG LEU 68 - HB2 LYS 73 lone 2 71 - 3 - HG LEU 68 - HB3 LYS 73 lone 2 66 - 3 - HG3 LYS 96 - HB3 LYS 123 lone 2 47 - 4 - HG LEU 68 - HB3 LYS 44 lone 2 98 - 2 - HG LEU 68 - HB2 LYS 43 lone 2 93 - 2 - HG LEU 68 - HB3 LYS 43 lone 2 88 - 2 - HG LEU 68 - HB2 LYS 44 lone 2 94 - 2 - HB3 LEU 70 - HB3 LYS 123 lone 2 47 - 3 - HB3 LEU 70 - HB3 LYS 44 lone 2 87 - 2 - HB3 LEU 70 - HB2 LYS 44 lone 1 82 - 2 - HB3 LEU 70 - HB2 LYS 96 lone 1 82 - 2 - HG LEU 68 - HB3 LYS 123 lone 1 58 - 2 - HG LEU 68 - HB2 LYS 96 lone 1 94 - 1 - HG12 ILE 116 - HB3 LYS 44 lone 1 100 - 1 - HG12 ILE 116 - HB2 LYS 44 lone 1 97 - 1 - HB3 LEU 70 - HB2 LYS 43 lone 1 80 - 1 - HG2 LYS 123 - HB2 LYS 73 lone 1 69 - 1 - HG12 ILE 116 - HB2 LYS 96 lone 1 97 - 1 - HB3 LEU 70 - HB3 LYS 43 lone 1 75 - 1 - HG2 LYS 123 - HB3 LYS 73 lone 1 65 - 1 - HG12 ILE 116 - HB2 LYS 43 lone 0 96 - 0 - HG12 ILE 116 - HB3 LYS 43 lone 0 92 - 0 - HG3 LYS 19 - HB2 LYS 73 lone 0 54 - 1 - HG LEU 55 - HB2 LYS 96 lone 0 68 - 1 - HD3 LYS 19 - HB3 LYS 44 lone 0 87 - 0 - HD2 LYS 19 - HB3 LYS 44 lone 0 87 - 0 - HG3 LYS 19 - HB3 LYS 73 lone 0 50 - 1 - HG3 LYS 19 - HB3 LYS 43 lone 0 69 - 1 - HG12 ILE 116 - HB2 LYS 73 lone 0 75 - 1 - HG LEU 82 - HB3 LYS 44 lone 0 73 - 1 - HG3 LYS 19 - HB2 LYS 43 lone 0 74 - 1 - HD2 LYS 19 - HB2 LYS 44 lone 0 82 - 0 - HD3 LYS 19 - HB2 LYS 44 lone 0 82 - 0 - HG LEU 82 - HB2 LYS 44 lone 0 68 - 1 - HG12 ILE 116 - HB3 LYS 73 lone 0 70 - 0 - HG3 LYS 19 - HB3 LYS 44 lone 0 81 - 0 - HG12 ILE 116 - HB3 LYS 123 lone 0 61 - 1 - HG3 LYS 19 - HB2 LYS 44 lone 0 75 - 0 - HG LEU 82 - HB2 LYS 96 lone 0 68 - 0 - HG LEU 55 - HB3 LYS 44 lone 0 73 - 0 - HG2 LYS 73 - HB3 LYS 123 lone 0 40 - 1 - HG LEU 55 - HB2 LYS 44 lone 0 68 - 0 - HD3 LYS 19 - HB2 LYS 43 lone 0 80 - 0 - HD2 LYS 19 - HB2 LYS 43 lone 0 80 - 0 - HG LEU 82 - HB2 LYS 73 lone 0 48 - 1 - HD3 LYS 19 - HB2 LYS 73 lone 0 59 - 0 - HD2 LYS 19 - HB2 LYS 73 lone 0 59 - 0 - HD3 LYS 19 - HB3 LYS 43 lone 0 75 - 0 - HD2 LYS 19 - HB3 LYS 43 lone 0 75 - 0 - HD3 LYS 19 - HB3 LYS 73 lone 0 55 - 0 - HD2 LYS 19 - HB3 LYS 73 lone 0 55 - 0 - HG LEU 82 - HB3 LYS 73 lone 0 44 - 1 - HG3 LYS 19 - HB2 LYS 96 lone 0 75 - 0 - HD3 LYS 19 - HB2 LYS 96 lone 0 82 - 0 - HD2 LYS 19 - HB2 LYS 96 lone 0 82 - 0 - HD3 LYS 19 - HB3 LYS 123 lone 0 47 - 0 - HD2 LYS 19 - HB3 LYS 123 lone 0 47 - 0 - HG LEU 55 - HB2 LYS 43 lone 0 67 - 0 - HG LEU 82 - HB2 LYS 43 lone 0 67 - 0 - HG LEU 82 - HB3 LYS 123 lone 0 38 - 0 - HG3 LYS 19 - HB3 LYS 123 lone 0 43 - 0 - HG LEU 55 - HB3 LYS 43 lone 0 62 - 0 - HG LEU 82 - HB3 LYS 43 lone 0 62 - 0 - HG LEU 55 - HB3 LYS 123 lone 0 38 - 0 - HG LEU 55 - HB2 LYS 73 lone 0 48 - 0 - HG LEU 55 - HB3 LYS 73 lone 0 44 - 0 - Peak 3925 from cnoeabs.peaks (1.44, 1.91, 32.07 ppm; 2.86 A): 3 out of 104 assignments used, quality = 1.00: * HG3 LYS 44 + HB3 LYS 44 OK 97 100 - 97 - 2.9=93, 3905/3.0=8...(34) HG2 LYS 96 + HB2 LYS 96 OK 96 97 - 99 - 2.9=97, 6075/3.0=8...(28) HG3 LYS 44 + HB2 LYS 44 OK 95 97 - 97 - 2.9=93, 3905/3.0=8...(36) HG2 LYS 96 - HB3 LYS 44 OK 37 100 - 37 - 3905/3.0=5, 1287/4.0=4...(12) HG2 LYS 96 - HB2 LYS 44 OK 36 97 - 37 - 3905/3.0=5, 1287/4.0=4...(11) HG3 LYS 44 - HB2 LYS 96 OK 35 97 - 36 - 6075/3.0=5, 1639/4.1=3...(12) HG3 LYS 44 - HB2 LYS 43 OK 13 97 - 13 - 1287/4.7=5, 4.2/3902=1 HG3 LYS 44 - HB3 LYS 43 OK 12 92 - 13 - 1287/4.7=5, 4.2/3903=1 HG2 LYS 96 - HB2 LYS 43 OK 10 96 - 11 - 3940/4.7=3 HG2 LYS 96 - HB3 LYS 43 poor 10 92 - 11 - 3940/4.7=3 HG2 LYS 39 - HB2 LYS 96 poor 7 57 - 12 - 6075/3.0=2, 7475/4.1=2...(4) HG2 LYS 96 - HB2 LYS 73 lone 5 75 - 7 - HG3 LYS 44 - HB3 LYS 123 lone 5 61 - 8 - HG2 LYS 39 - HB3 LYS 44 lone 5 61 - 8 - HG2 LYS 96 - HB3 LYS 73 lone 5 70 - 7 - HG2 LYS 39 - HB2 LYS 44 lone 5 57 - 8 - HG3 LYS 44 - HB2 LYS 73 lone 3 75 - 4 - HG3 LYS 44 - HB3 LYS 73 lone 3 70 - 4 - HG2 LYS 96 - HB3 LYS 123 lone 3 61 - 4 - HB3 LEU 63 - HB3 LYS 44 lone 2 87 - 2 - HB3 LEU 63 - HB2 LYS 44 lone 1 82 - 2 - HG2 LYS 39 - HB2 LYS 43 lone 1 56 - 3 - HG2 LYS 39 - HB3 LYS 43 lone 1 52 - 3 - HG12 ILE 56 - HB2 LYS 96 lone 1 84 - 1 - HG3 LYS 17 - HB3 LYS 123 lone 1 53 - 2 - HB3 LEU 4 - HB2 LYS 96 lone 1 97 - 1 - HB2 LEU 4 - HB2 LYS 96 lone 1 97 - 1 - HG LEU 80 - HB2 LYS 96 lone 1 97 - 1 - HG3 LYS 17 - HB3 LYS 44 lone 1 94 - 1 - HG3 LYS 17 - HB2 LYS 44 lone 1 89 - 1 - HG3 LYS 17 - HB2 LYS 43 lone 1 88 - 1 - HG2 LYS 39 - HB3 LYS 123 lone 1 31 - 4 - HG3 LYS 17 - HB2 LYS 96 lone 1 89 - 1 - HB3 LEU 63 - HB2 LYS 96 lone 1 82 - 1 - HB2 LEU 4 - HB3 LYS 44 lone 1 100 - 1 - HB3 LEU 4 - HB3 LYS 44 lone 1 100 - 1 - HG3 LYS 17 - HB3 LYS 43 lone 1 83 - 1 - HG LEU 4 - HB2 LYS 96 lone 1 78 - 1 - HB3 LEU 4 - HB2 LYS 44 lone 1 97 - 1 - HB2 LEU 4 - HB2 LYS 44 lone 1 97 - 1 - HG12 ILE 56 - HB3 LYS 44 lone 1 90 - 1 - HG12 ILE 56 - HB2 LYS 44 lone 1 84 - 1 - HG LEU 80 - HB2 LYS 73 lone 1 74 - 1 - HG LEU 80 - HB3 LYS 73 lone 1 69 - 1 - HG2 LYS 39 - HB2 LYS 73 lone 1 39 - 2 - HB3 LEU 4 - HB2 LYS 73 lone 1 75 - 1 - HB2 LEU 4 - HB2 LYS 73 lone 1 75 - 1 - HG LEU 80 - HB3 LYS 44 lone 1 100 - 1 - HG2 LYS 39 - HB3 LYS 73 lone 1 36 - 2 - HG LEU 80 - HB3 LYS 123 lone 1 60 - 1 - HG LEU 80 - HB2 LYS 44 lone 0 97 - 1 - HG3 ARG 30 - HB3 LYS 44 lone 1 81 - 1 - HG12 ILE 56 - HB2 LYS 43 lone 0 83 - 1 - HG3 ARG 30 - HB2 LYS 96 lone 0 75 - 1 - HG3 ARG 30 - HB2 LYS 44 lone 0 75 - 1 - HG LEU 4 - HB2 LYS 73 lone 0 56 - 1 - HB3 LEU 63 - HB2 LYS 43 lone 0 80 - 1 - HG LEU 4 - HB3 LYS 44 lone 0 84 - 1 - HB3 LYS 61 - HB3 LYS 44 lone 0 98 - 0 - HB3 LEU 63 - HB3 LYS 43 lone 0 75 - 1 - HG LEU 80 - HB2 LYS 43 lone 0 96 - 0 - HG12 ILE 56 - HB3 LYS 43 lone 0 78 - 1 - HB3 LYS 61 - HB2 LYS 44 lone 0 94 - 0 - HG LEU 4 - HB2 LYS 44 lone 0 78 - 1 - HG3 LYS 17 - HB2 LYS 73 lone 0 66 - 1 - HB2 LEU 4 - HB2 LYS 43 lone 0 97 - 0 - HB3 LEU 4 - HB2 LYS 43 lone 0 97 - 0 - HB2 LEU 4 - HB3 LYS 43 lone 0 92 - 0 - HB3 LEU 4 - HB3 LYS 43 lone 0 92 - 0 - HB3 LYS 61 - HB2 LYS 96 lone 0 94 - 0 - HG3 LYS 17 - HB3 LYS 73 lone 0 61 - 1 - HB2 LEU 4 - HB3 LYS 73 lone 0 70 - 1 - HB3 LEU 4 - HB3 LYS 73 lone 0 70 - 1 - HB3 LYS 61 - HB2 LYS 43 lone 0 93 - 0 - HG LEU 80 - HB3 LYS 43 lone 0 91 - 0 - HB3 GLN 83 - HB3 LYS 44 lone 0 65 - 0 - HB3 LYS 61 - HB3 LYS 43 lone 0 88 - 0 - HG LEU 4 - HB3 LYS 73 lone 0 52 - 1 - HG LEU 4 - HB2 LYS 43 lone 0 77 - 0 - HG3 ARG 30 - HB2 LYS 43 lone 0 74 - 0 - HB3 LEU 63 - HB3 LYS 123 lone 0 47 - 1 - HB3 GLN 83 - HB2 LYS 44 lone 0 61 - 0 - HG LEU 4 - HB3 LYS 43 lone 0 72 - 0 - HG3 ARG 30 - HB3 LYS 43 lone 0 69 - 0 - HB3 LEU 63 - HB2 LYS 73 lone 0 59 - 0 - HG12 ILE 56 - HB2 LYS 73 lone 0 61 - 0 - HB3 LEU 63 - HB3 LYS 73 lone 0 55 - 0 - HG12 ILE 56 - HB3 LYS 73 lone 0 57 - 0 - HB3 LYS 61 - HB2 LYS 73 lone 0 71 - 0 - HB2 LEU 4 - HB3 LYS 123 lone 0 61 - 0 - HB3 LEU 4 - HB3 LYS 123 lone 0 61 - 0 - HB3 GLN 83 - HB2 LYS 96 lone 0 61 - 0 - HB3 GLN 83 - HB2 LYS 43 lone 0 60 - 0 - HB3 LYS 61 - HB3 LYS 73 lone 0 66 - 0 - HB3 GLN 83 - HB3 LYS 43 lone 0 55 - 0 - HG3 ARG 30 - HB2 LYS 73 lone 0 54 - 0 - HG3 ARG 30 - HB3 LYS 73 lone 0 50 - 0 - HG12 ILE 56 - HB3 LYS 123 lone 0 49 - 0 - HB3 LYS 61 - HB3 LYS 123 lone 0 58 - 0 - HG LEU 4 - HB3 LYS 123 lone 0 45 - 0 - HB3 GLN 83 - HB2 LYS 73 lone 0 42 - 0 - HB3 GLN 83 - HB3 LYS 73 lone 0 39 - 0 - HG3 ARG 30 - HB3 LYS 123 lone 0 43 - 0 - HB3 GLN 83 - HB3 LYS 123 lone 0 33 - 0 - Peak 3926 from cnoeabs.peaks (1.70, 1.91, 32.07 ppm; 2.66 A): 6 out of 168 assignments used, quality = 1.00: HD3 LYS 44 + HB3 LYS 44 OK 79 100 - 79 - 3.7=38, 3954/2.9=6...(38) * HD2 LYS 44 + HB3 LYS 44 OK 78 100 - 78 - 3.7=38, 3954/2.9=6...(38) HD3 LYS 44 + HB2 LYS 44 OK 77 97 - 79 - 3.7=38, 3954/2.9=6...(39) HD2 LYS 44 + HB2 LYS 44 OK 77 97 - 79 - 3.7=38, 3954/2.9=6...(39) HG3 LYS 123 + HB3 LYS 123 OK 55 61 - 90 - 2.9=74, 7114/3.8=11...(29) HD3 LYS 96 + HB2 LYS 96 OK 48 61 - 79 - 3.4=46, ~6097=4, ~6098=4...(36) HD3 LYS 43 - HB2 LYS 43 OK 43 63 - 68 - 3.8=33, 2.9/3824=5...(28) HD3 LYS 44 - HB2 LYS 96 OK 42 97 - 44 - 3953=3, 3964/2.9=2...(16) HD2 LYS 44 - HB2 LYS 96 OK 42 97 - 43 - 3953=3, 3954/2.9=2...(16) HD3 LYS 43 - HB3 LYS 43 OK 40 59 - 67 - 3.8=33, 2.9/3824=5...(27) HD2 LYS 73 - HB2 LYS 73 OK 33 48 - 70 - 3.8=33, 5177/2.9=4...(35) HD3 LYS 73 - HB2 LYS 73 OK 31 45 - 70 - 3.8=33, 5177/2.9=4...(35) HD2 LYS 73 - HB3 LYS 73 OK 31 44 - 70 - 3.8=33, 5177/2.9=4...(35) HD3 LYS 73 - HB3 LYS 73 OK 29 41 - 70 - 3.8=33, 5177/2.9=4...(35) HD3 LYS 96 - HB3 LYS 44 OK 23 65 - 35 - 3906/3.0=1, 3.0/3915=1...(4) HD3 LYS 96 - HB2 LYS 44 OK 22 61 - 36 - 3.0/3915=1, 3906/3.0=1...(4) HD2 LYS 20 - HB2 LYS 43 OK 18 77 - 23 - ~3063=1, ~3814=1...(4) HD3 LYS 20 - HB2 LYS 43 OK 17 74 - 23 - ~3063=1, ~3814=1...(4) HD2 LYS 20 - HB3 LYS 43 OK 16 72 - 22 - ~3063=1, ~3814=1...(4) HD3 LYS 20 - HB3 LYS 43 OK 15 69 - 22 - ~3063=1, ~3814=1...(4) HG3 LYS 123 - HB3 LYS 44 OK 14 100 - 14 - 2.9/7120=2, 2.9/7130=2, ~7120=1 HG3 LYS 123 - HB2 LYS 44 OK 14 97 - 14 - 2.9/7120=2, 2.9/7130=2, ~7120=1 HD2 LYS 20 - HB2 LYS 73 OK 11 56 - 20 - HD2 LYS 44 - HB2 LYS 43 OK 11 97 - 11 - 3950/4.7=3 HD2 LYS 73 - HB2 LYS 43 OK 11 67 - 16 - HD3 LYS 44 - HB2 LYS 43 OK 11 96 - 11 - 3950/4.7=3 HD3 LYS 39 - HB3 LYS 44 OK 11 99 - 11 - HD2 LYS 39 - HB3 LYS 44 OK 11 99 - 11 - HG3 LYS 39 - HB2 LYS 96 OK 10 97 - 11 - 7476/4.1=2, 3598/4.6=2 HD3 LYS 39 - HB2 LYS 44 OK 10 96 - 11 - HD3 LYS 20 - HB2 LYS 73 OK 10 54 - 20 - HD2 LYS 39 - HB2 LYS 44 OK 10 95 - 11 - HD2 LYS 44 - HB3 LYS 43 OK 10 92 - 11 - 3950/4.7=3 HD3 LYS 44 - HB3 LYS 43 OK 10 92 - 11 - 3950/4.7=3 HD2 LYS 20 - HB3 LYS 73 OK 10 52 - 20 - HD3 LYS 73 - HB2 LYS 43 OK 10 63 - 16 - HD2 LYS 20 - HB2 LYS 96 poor 10 78 - 12 - HD3 LYS 20 - HB3 LYS 73 poor 10 50 - 20 - HD2 LYS 73 - HB3 LYS 43 poor 10 62 - 15 - HD3 LYS 39 - HB2 LYS 96 lone 9 96 - 10 - HD2 LYS 39 - HB2 LYS 96 lone 9 95 - 10 - HD3 LYS 20 - HB2 LYS 96 poor 9 75 - 12 - HD3 LYS 73 - HB3 LYS 43 poor 9 59 - 15 - HD3 LYS 43 - HB2 LYS 73 poor 9 45 - 19 - HD2 LYS 73 - HB2 LYS 96 poor 9 68 - 12 - HD3 LYS 73 - HB2 LYS 96 poor 8 64 - 12 - HD3 LYS 43 - HB3 LYS 73 poor 8 41 - 19 - HG3 LYS 39 - HB3 LYS 44 lone 7 100 - 7 - HD3 LYS 43 - HB2 LYS 96 poor 7 64 - 11 - HG3 LYS 39 - HB2 LYS 44 lone 7 97 - 7 - HD2 LYS 44 - HB3 LYS 123 poor 6 61 - 11 - HD3 LYS 44 - HB3 LYS 123 poor 6 61 - 11 - HD3 LYS 43 - HB3 LYS 44 lone 6 70 - 9 - 1289/4.0=1 HD3 LYS 43 - HB2 LYS 44 lone 6 64 - 9 - 1289/4.0=1 HG LEU 74 - HB2 LYS 73 lone 6 74 - 8 - 5234/4.3=6 HD3 LYS 96 - HB2 LYS 43 lone 6 60 - 9 - HD2 LYS 40 - HB2 LYS 43 lone 5 56 - 10 - HG LEU 74 - HB3 LYS 73 lone 5 69 - 8 - 5234/4.3=6 HD2 LYS 73 - HB3 LYS 44 lone 5 73 - 7 - HD2 LYS 73 - HB2 LYS 44 lone 5 68 - 7 - HD3 LYS 96 - HB3 LYS 43 lone 5 55 - 9 - HD2 LYS 40 - HB3 LYS 43 lone 5 52 - 10 - HD3 LYS 73 - HB3 LYS 44 lone 5 70 - 7 - HD3 LYS 73 - HB2 LYS 44 lone 5 64 - 7 - HG3 LYS 123 - HB2 LYS 96 lone 5 97 - 5 - HD2 LYS 40 - HB2 LYS 96 lone 5 57 - 8 - 5.3/8066=1 HD3 LYS 39 - HB3 LYS 123 lone 4 60 - 7 - HD2 LYS 39 - HB3 LYS 123 lone 4 59 - 7 - HG3 LYS 39 - HB3 LYS 123 lone 4 61 - 6 - 7114/3.8=1, 7122/3.8=1 HD3 LYS 96 - HB2 LYS 73 lone 4 42 - 8 - HD3 LYS 39 - HB2 LYS 43 lone 3 95 - 3 - HD2 LYS 39 - HB2 LYS 43 lone 3 94 - 3 - HD3 LYS 96 - HB3 LYS 73 lone 3 39 - 8 - HG12 ILE 71 - HB3 LYS 123 lone 3 56 - 6 - ~10612=2 HD3 LYS 39 - HB3 LYS 43 lone 3 91 - 3 - HD3 LYS 44 - HB2 LYS 73 lone 3 75 - 4 - HD2 LYS 39 - HB3 LYS 43 lone 3 89 - 3 - HD2 LYS 44 - HB2 LYS 73 lone 3 75 - 4 - HD3 LYS 44 - HB3 LYS 73 lone 3 70 - 4 - HD2 LYS 44 - HB3 LYS 73 lone 3 70 - 4 - HG12 ILE 71 - HB2 LYS 73 lone 3 69 - 4 - HD2 LYS 20 - HB3 LYS 44 lone 3 84 - 3 - HD2 LYS 20 - HB2 LYS 44 lone 3 78 - 3 - HG3 LYS 123 - HB2 LYS 43 lone 3 96 - 3 - HG12 ILE 71 - HB3 LYS 73 lone 3 65 - 4 - HD3 LYS 20 - HB3 LYS 44 lone 3 81 - 3 - HD3 LYS 20 - HB2 LYS 44 lone 2 75 - 3 - HG3 LYS 123 - HB3 LYS 43 lone 2 92 - 2 - HD3 LYS 39 - HB2 LYS 73 lone 2 73 - 3 - HD3 LYS 16 - HB2 LYS 96 lone 2 82 - 3 - HD2 LYS 39 - HB2 LYS 73 lone 2 72 - 3 - HG12 ILE 71 - HB2 LYS 96 lone 2 93 - 2 - HD3 LYS 39 - HB3 LYS 73 lone 2 68 - 3 - HD2 LYS 39 - HB3 LYS 73 lone 2 67 - 3 - HG3 LYS 39 - HB2 LYS 43 lone 2 96 - 2 - HD3 LYS 16 - HB2 LYS 73 lone 2 59 - 3 - HD2 LYS 16 - HB2 LYS 96 lone 2 72 - 3 - HG3 LYS 39 - HB3 LYS 43 lone 2 92 - 2 - HD3 LYS 16 - HB3 LYS 123 lone 2 47 - 4 - HD3 LYS 16 - HB3 LYS 73 lone 2 55 - 3 - HD2 LYS 40 - HB2 LYS 73 lone 2 39 - 5 - HD2 LYS 16 - HB2 LYS 73 lone 2 51 - 4 - HD2 LYS 40 - HB3 LYS 73 lone 2 36 - 5 - HD2 LYS 16 - HB3 LYS 73 lone 2 47 - 3 - HD2 LYS 16 - HB3 LYS 123 lone 2 40 - 4 - HD3 LYS 16 - HB3 LYS 44 lone 1 87 - 2 - HD3 LYS 16 - HB2 LYS 44 lone 1 82 - 2 - HD2 LYS 16 - HB3 LYS 44 lone 1 77 - 2 - HG12 ILE 71 - HB3 LYS 44 lone 1 97 - 1 - HD2 LYS 16 - HB2 LYS 44 lone 1 72 - 2 - HG12 ILE 71 - HB2 LYS 44 lone 1 93 - 1 - HD3 LYS 96 - HB3 LYS 123 lone 1 33 - 4 - HD2 LYS 40 - HB3 LYS 44 lone 1 61 - 2 - HD2 LYS 40 - HB2 LYS 44 lone 1 57 - 2 - HD3 LYS 16 - HB2 LYS 43 lone 1 80 - 1 - HG3 LYS 39 - HB2 LYS 73 lone 1 75 - 1 - HG3 LYS 39 - HB3 LYS 73 lone 1 70 - 1 - HD3 LYS 16 - HB3 LYS 43 lone 1 75 - 1 - HG3 LYS 123 - HB2 LYS 73 lone 1 75 - 1 - HD2 LYS 16 - HB2 LYS 43 lone 1 71 - 1 - HG LEU 74 - HB3 LYS 123 lone 1 60 - 1 - HB ILE 56 - HB2 LYS 96 lone 1 82 - 1 - HD2 LYS 16 - HB3 LYS 43 lone 1 66 - 1 - HG3 LYS 123 - HB3 LYS 73 lone 1 70 - 1 - HG LEU 74 - HB3 LYS 44 lone 0 100 - 0 - HG LEU 74 - HB2 LYS 44 lone 0 97 - 0 - HB ILE 56 - HB3 LYS 44 lone 0 87 - 0 - HD2 LYS 40 - HB3 LYS 123 lone 0 31 - 1 - HG12 ILE 71 - HB2 LYS 43 lone 0 92 - 0 - HG12 ILE 71 - HB3 LYS 43 lone 0 87 - 0 - HB ILE 56 - HB2 LYS 44 lone 0 82 - 0 - HB ILE 56 - HB2 LYS 43 lone 0 80 - 0 - HD3 LYS 43 - HB3 LYS 123 lone 0 35 - 1 - HB ILE 56 - HB3 LYS 43 lone 0 75 - 0 - HD2 LYS 20 - HB3 LYS 123 lone 0 45 - 1 - HD3 LYS 20 - HB3 LYS 123 lone 0 43 - 1 - HG LEU 74 - HB2 LYS 96 lone 0 97 - 0 - HB3 LYS 106 - HB3 LYS 44 lone 0 81 - 0 - HB3 LYS 106 - HB2 LYS 96 lone 0 75 - 0 - HG LEU 74 - HB2 LYS 43 lone 0 96 - 0 - HB3 LYS 106 - HB2 LYS 44 lone 0 75 - 0 - HD2 LYS 73 - HB3 LYS 123 lone 0 38 - 1 - HB2 LYS 106 - HB3 LYS 44 lone 0 73 - 0 - HG LEU 74 - HB3 LYS 43 lone 0 91 - 0 - HD3 LYS 73 - HB3 LYS 123 lone 0 35 - 1 - HB2 LYS 106 - HB2 LYS 44 lone 0 68 - 0 - HB2 LYS 106 - HB2 LYS 96 lone 0 68 - 0 - HB ILE 56 - HB2 LYS 73 lone 0 59 - 0 - HB ILE 54 - HB3 LYS 44 lone 0 61 - 0 - HB ILE 54 - HB2 LYS 96 lone 0 57 - 0 - HB ILE 54 - HB2 LYS 44 lone 0 57 - 0 - HB3 LYS 106 - HB2 LYS 43 lone 0 74 - 0 - HB ILE 56 - HB3 LYS 73 lone 0 55 - 0 - HB3 LYS 106 - HB3 LYS 43 lone 0 69 - 0 - HB2 LYS 106 - HB2 LYS 43 lone 0 67 - 0 - HB3 LYS 106 - HB3 LYS 123 lone 0 43 - 0 - HB2 LYS 106 - HB3 LYS 43 lone 0 62 - 0 - HB ILE 56 - HB3 LYS 123 lone 0 47 - 0 - HB ILE 54 - HB2 LYS 43 lone 0 56 - 0 - HB3 LYS 106 - HB2 LYS 73 lone 0 54 - 0 - HB2 LYS 106 - HB3 LYS 123 lone 0 38 - 0 - HB ILE 54 - HB3 LYS 43 lone 0 52 - 0 - HB3 LYS 106 - HB3 LYS 73 lone 0 50 - 0 - HB ILE 54 - HB3 LYS 123 lone 0 31 - 0 - HB2 LYS 106 - HB2 LYS 73 lone 0 48 - 0 - HB ILE 54 - HB2 LYS 73 lone 0 39 - 0 - HB2 LYS 106 - HB3 LYS 73 lone 0 44 - 0 - HB ILE 54 - HB3 LYS 73 lone 0 36 - 0 - Peak 3927 from cnoeabs.peaks (1.70, 1.91, 32.07 ppm; 2.66 A): 5 out of 144 assignments used, quality = 1.00: * HD3 LYS 44 + HB3 LYS 44 OK 79 100 - 79 - 3.7=38, 3954/2.9=6...(38) HD2 LYS 44 + HB3 LYS 44 OK 78 100 - 78 - 3.7=38, 3954/2.9=6...(38) HD3 LYS 44 + HB2 LYS 44 OK 77 97 - 79 - 3.7=38, 3954/2.9=6...(39) HD2 LYS 44 + HB2 LYS 44 OK 76 97 - 79 - 3.7=38, 3954/2.9=6...(39) HG3 LYS 123 + HB3 LYS 123 OK 53 60 - 90 - 2.9=74, 7114/3.8=11...(29) HD3 LYS 44 - HB2 LYS 96 OK 42 97 - 44 - 3953=3, 3964/2.9=2...(16) HD2 LYS 44 - HB2 LYS 96 OK 41 97 - 43 - 3953=3, 3954/2.9=2...(15) HD3 LYS 43 - HB2 LYS 43 OK 38 56 - 68 - 3.8=33, 2.9/3824=5...(26) HD3 LYS 43 - HB3 LYS 43 OK 35 52 - 67 - 3.8=33, 2.9/3824=5...(26) HD2 LYS 73 - HB2 LYS 73 OK 29 42 - 69 - 3.8=33, 5177/2.9=3...(35) HD3 LYS 73 - HB2 LYS 73 OK 27 39 - 69 - 3.8=33, 5177/2.9=3...(35) HD2 LYS 73 - HB3 LYS 73 OK 27 39 - 69 - 3.8=33, 5177/2.9=3...(35) HD3 LYS 73 - HB3 LYS 73 OK 25 36 - 69 - 3.8=33, 5177/2.9=3...(35) HD2 LYS 20 - HB2 LYS 43 OK 16 71 - 23 - ~3063=1, ~3814=1...(4) HD3 LYS 20 - HB2 LYS 43 OK 15 67 - 23 - ~3063=1, ~3814=1...(4) HD2 LYS 20 - HB3 LYS 43 OK 14 66 - 22 - ~3063=1, ~3814=1...(4) HG3 LYS 123 - HB3 LYS 44 OK 14 99 - 14 - 2.9/7120=2, 2.9/7130=2, ~7120=1 HD3 LYS 20 - HB3 LYS 43 OK 14 62 - 22 - ~3063=1, ~3814=1...(4) HG3 LYS 123 - HB2 LYS 44 OK 13 96 - 14 - 2.9/7120=2, 2.9/7130=2, ~7120=1 HD3 LYS 44 - HB2 LYS 43 OK 11 97 - 11 - 3950/4.7=3 HD3 LYS 39 - HB3 LYS 44 OK 11 100 - 11 - HD2 LYS 39 - HB3 LYS 44 OK 11 100 - 11 - HD2 LYS 44 - HB2 LYS 43 OK 11 96 - 11 - 3950/4.7=3 HD3 LYS 39 - HB2 LYS 44 OK 11 97 - 11 - HD2 LYS 39 - HB2 LYS 44 OK 11 97 - 11 - HG3 LYS 39 - HB2 LYS 96 OK 10 96 - 11 - 7476/4.1=2, 3598/4.6=2 HD3 LYS 44 - HB3 LYS 43 OK 10 92 - 11 - 3950/4.7=3 HD2 LYS 44 - HB3 LYS 43 OK 10 92 - 11 - 3950/4.7=3 HD2 LYS 20 - HB2 LYS 73 poor 10 51 - 19 - HD3 LYS 39 - HB2 LYS 96 lone 10 97 - 10 - 7477/4.1=1 HD2 LYS 39 - HB2 LYS 96 lone 10 97 - 10 - 7477/4.1=1 HD2 LYS 73 - HB2 LYS 43 poor 9 60 - 16 - HD3 LYS 20 - HB2 LYS 73 poor 9 48 - 19 - HD2 LYS 20 - HB3 LYS 73 poor 9 47 - 19 - HD3 LYS 73 - HB2 LYS 43 poor 9 56 - 16 - HD2 LYS 20 - HB2 LYS 96 poor 9 72 - 12 - HD3 LYS 20 - HB3 LYS 73 poor 8 44 - 19 - HD2 LYS 73 - HB3 LYS 43 poor 8 55 - 15 - HD3 LYS 20 - HB2 LYS 96 poor 8 68 - 12 - HD3 LYS 73 - HB3 LYS 43 poor 8 52 - 15 - HD2 LYS 73 - HB2 LYS 96 poor 7 61 - 12 - HD3 LYS 43 - HB2 LYS 73 poor 7 39 - 19 - HG3 LYS 39 - HB3 LYS 44 lone 7 99 - 7 - HD3 LYS 73 - HB2 LYS 96 poor 7 57 - 12 - HG3 LYS 39 - HB2 LYS 44 lone 7 96 - 7 - HD3 LYS 43 - HB3 LYS 73 poor 7 36 - 19 - HD3 LYS 44 - HB3 LYS 123 poor 6 61 - 11 - HD2 LYS 44 - HB3 LYS 123 poor 6 61 - 11 - HD3 LYS 43 - HB2 LYS 96 poor 6 57 - 10 - HG LEU 74 - HB2 LYS 73 lone 6 75 - 8 - 5234/4.3=6 HG LEU 74 - HB3 LYS 73 lone 5 70 - 8 - 5234/4.3=6 HD3 LYS 43 - HB3 LYS 44 lone 5 61 - 9 - 1289/4.0=1 HD3 LYS 43 - HB2 LYS 44 lone 5 57 - 9 - 1289/4.0=1 HD2 LYS 73 - HB3 LYS 44 lone 5 65 - 7 - HG3 LYS 123 - HB2 LYS 96 lone 5 96 - 5 - HD2 LYS 73 - HB2 LYS 44 lone 5 61 - 7 - HD3 LYS 73 - HB3 LYS 44 lone 4 61 - 7 - HD3 LYS 39 - HB3 LYS 123 lone 4 61 - 7 - HD3 LYS 73 - HB2 LYS 44 lone 4 57 - 7 - HD2 LYS 39 - HB3 LYS 123 lone 4 60 - 7 - HG3 LYS 39 - HB3 LYS 123 lone 4 60 - 6 - 7114/3.8=1, 7122/3.8=1 HD3 LYS 39 - HB2 LYS 43 lone 3 96 - 3 - HD2 LYS 39 - HB2 LYS 43 lone 3 96 - 3 - HD3 LYS 39 - HB3 LYS 43 lone 3 92 - 3 - HD2 LYS 39 - HB3 LYS 43 lone 3 91 - 3 - HD3 LYS 44 - HB2 LYS 73 lone 3 75 - 4 - HD2 LYS 44 - HB2 LYS 73 lone 3 75 - 4 - HG12 ILE 71 - HB3 LYS 123 lone 3 53 - 6 - ~10612=2 HD3 LYS 44 - HB3 LYS 73 lone 3 70 - 4 - HD2 LYS 44 - HB3 LYS 73 lone 3 70 - 4 - HG3 LYS 123 - HB2 LYS 43 lone 3 95 - 3 - HG12 ILE 71 - HB2 LYS 73 lone 2 66 - 4 - HD2 LYS 20 - HB3 LYS 44 lone 2 77 - 3 - HD2 LYS 20 - HB2 LYS 44 lone 2 72 - 3 - HD3 LYS 39 - HB2 LYS 73 lone 2 75 - 3 - HD2 LYS 39 - HB2 LYS 73 lone 2 74 - 3 - HG12 ILE 71 - HB3 LYS 73 lone 2 61 - 4 - HG3 LYS 123 - HB3 LYS 43 lone 2 91 - 2 - HD3 LYS 20 - HB3 LYS 44 lone 2 73 - 3 - HD3 LYS 20 - HB2 LYS 44 lone 2 68 - 3 - HD3 LYS 39 - HB3 LYS 73 lone 2 70 - 3 - HD2 LYS 39 - HB3 LYS 73 lone 2 69 - 3 - HG12 ILE 71 - HB2 LYS 96 lone 2 89 - 2 - HD3 LYS 16 - HB2 LYS 96 lone 2 75 - 3 - HG3 LYS 39 - HB2 LYS 43 lone 2 95 - 2 - HG3 LYS 39 - HB3 LYS 43 lone 2 91 - 2 - HD3 LYS 16 - HB2 LYS 73 lone 2 54 - 3 - HD2 LYS 16 - HB2 LYS 96 lone 2 64 - 3 - HD3 LYS 16 - HB3 LYS 123 lone 2 43 - 4 - HD3 LYS 16 - HB3 LYS 73 lone 2 50 - 3 - HD2 LYS 16 - HB2 LYS 73 lone 2 45 - 3 - HD2 LYS 16 - HB3 LYS 123 lone 1 35 - 4 - HD2 LYS 16 - HB3 LYS 73 lone 1 41 - 3 - HD3 LYS 16 - HB3 LYS 44 lone 1 81 - 2 - HG12 ILE 71 - HB3 LYS 44 lone 1 94 - 1 - HD3 LYS 16 - HB2 LYS 44 lone 1 75 - 2 - HD2 LYS 16 - HB3 LYS 44 lone 1 70 - 2 - HG12 ILE 71 - HB2 LYS 44 lone 1 89 - 1 - HD2 LYS 16 - HB2 LYS 44 lone 1 64 - 2 - HG3 LYS 39 - HB2 LYS 73 lone 1 73 - 1 - HD3 LYS 16 - HB2 LYS 43 lone 1 74 - 1 - HG3 LYS 39 - HB3 LYS 73 lone 1 68 - 1 - HG3 LYS 123 - HB2 LYS 73 lone 1 73 - 1 - HG LEU 74 - HB3 LYS 123 lone 1 61 - 1 - HD3 LYS 16 - HB3 LYS 43 lone 1 69 - 1 - HD2 LYS 16 - HB2 LYS 43 lone 1 63 - 1 - HB ILE 56 - HB2 LYS 96 lone 1 75 - 1 - HD2 LYS 16 - HB3 LYS 43 lone 1 59 - 1 - HG3 LYS 123 - HB3 LYS 73 lone 1 68 - 1 - HG LEU 74 - HB3 LYS 44 lone 0 100 - 0 - HG LEU 74 - HB2 LYS 44 lone 0 97 - 0 - HB ILE 56 - HB3 LYS 44 lone 0 81 - 0 - HG12 ILE 71 - HB2 LYS 43 lone 0 88 - 0 - HG12 ILE 71 - HB3 LYS 43 lone 0 83 - 0 - HB3 LYS 106 - HB3 LYS 44 lone 0 87 - 0 - HB ILE 56 - HB2 LYS 44 lone 0 75 - 0 - HB ILE 56 - HB2 LYS 43 lone 0 74 - 0 - HB3 LYS 106 - HB2 LYS 96 lone 0 82 - 0 - HD2 LYS 20 - HB3 LYS 123 lone 0 40 - 1 - HG LEU 74 - HB2 LYS 96 lone 0 97 - 0 - HB ILE 56 - HB3 LYS 43 lone 0 69 - 0 - HB3 LYS 106 - HB2 LYS 44 lone 0 82 - 0 - HB2 LYS 106 - HB3 LYS 44 lone 0 81 - 0 - HD3 LYS 43 - HB3 LYS 123 lone 0 31 - 1 - HG LEU 74 - HB2 LYS 43 lone 0 97 - 0 - HD3 LYS 20 - HB3 LYS 123 lone 0 38 - 1 - HB2 LYS 106 - HB2 LYS 44 lone 0 75 - 0 - HB2 LYS 106 - HB2 LYS 96 lone 0 75 - 0 - HG LEU 74 - HB3 LYS 43 lone 0 92 - 0 - HD2 LYS 73 - HB3 LYS 123 lone 0 33 - 1 - HD3 LYS 73 - HB3 LYS 123 lone 0 31 - 1 - HB3 LYS 106 - HB2 LYS 43 lone 0 80 - 0 - HB3 LYS 106 - HB3 LYS 43 lone 0 75 - 0 - HB2 LYS 106 - HB2 LYS 43 lone 0 74 - 0 - HB ILE 56 - HB2 LYS 73 lone 0 54 - 0 - HB3 LYS 106 - HB3 LYS 123 lone 0 47 - 0 - HB2 LYS 106 - HB3 LYS 43 lone 0 69 - 0 - HB3 LYS 106 - HB2 LYS 73 lone 0 59 - 0 - HB2 LYS 106 - HB3 LYS 123 lone 0 43 - 0 - HB ILE 56 - HB3 LYS 73 lone 0 50 - 0 - HB3 LYS 106 - HB3 LYS 73 lone 0 55 - 0 - HB2 LYS 106 - HB2 LYS 73 lone 0 54 - 0 - HB ILE 56 - HB3 LYS 123 lone 0 43 - 0 - HB2 LYS 106 - HB3 LYS 73 lone 0 50 - 0 - Peak 3928 from cnoeabs.peaks (2.93, 1.91, 32.07 ppm; 3.67 A): 12 out of 72 assignments used, quality = 1.00: HE2 LYS 96 + HB2 LYS 96 OK 88 97 - 90 - 4.9=42, 6099/1.8=7...(59) HE3 LYS 96 + HB2 LYS 96 OK 88 97 - 90 - 4.9=42, 6099/1.8=7...(59) HE3 LYS 44 + HB3 LYS 44 OK 88 100 - 88 - 5.0=40, 3.7/3915=5...(58) * HE2 LYS 44 + HB3 LYS 44 OK 88 100 - 88 - 5.0=40, 3.7/3915=5...(58) HE2 LYS 44 + HB2 LYS 44 OK 85 97 - 88 - 5.0=40, 3.7/3915=5...(58) HE3 LYS 44 + HB2 LYS 44 OK 85 97 - 88 - 5.0=40, 3.7/3915=5...(58) HE2 LYS 44 + HB2 LYS 96 OK 65 97 - 68 - 6099/1.8=6, 6079/3.0=4...(48) HE3 LYS 44 + HB2 LYS 96 OK 65 97 - 68 - 6099/1.8=6, 6079/3.0=4...(48) HE3 LYS 96 + HB3 LYS 44 OK 55 100 - 55 - 3909/3.0=3, 3938/2.9=3...(37) HE2 LYS 96 + HB3 LYS 44 OK 55 100 - 55 - 3909/3.0=3, 3938/2.9=3...(37) HE3 LYS 96 + HB2 LYS 44 OK 54 97 - 56 - 3909/3.0=3, 3938/2.9=3...(37) HE2 LYS 96 + HB2 LYS 44 OK 54 97 - 56 - 3909/3.0=3, 3938/2.9=3...(37) HE3 LYS 96 - HB2 LYS 43 OK 13 97 - 14 - 1290/4.7=2 HE2 LYS 96 - HB2 LYS 43 OK 13 97 - 14 - 1290/4.7=2 HE3 LYS 44 - HB2 LYS 43 OK 13 97 - 13 - 1290/4.7=3 HE2 LYS 44 - HB2 LYS 43 OK 13 97 - 13 - 1290/4.7=3 HE2 LYS 96 - HB3 LYS 43 OK 12 92 - 13 - 1290/4.7=2 HE3 LYS 96 - HB3 LYS 43 OK 12 92 - 13 - 1290/4.7=2 HE2 LYS 44 - HB3 LYS 43 OK 12 92 - 13 - 1291/4.7=3 HE3 LYS 44 - HB3 LYS 43 OK 12 92 - 13 - 1291/4.7=3 HE2 LYS 65 - HB2 LYS 96 OK 11 75 - 14 - 6099/1.8=1 HE3 LYS 65 - HB2 LYS 96 OK 11 75 - 14 - 6099/1.8=1 HE2 LYS 96 - HB2 LYS 73 poor 9 75 - 12 - HE3 LYS 96 - HB2 LYS 73 poor 9 75 - 12 - HE3 LYS 96 - HB3 LYS 73 poor 9 70 - 12 - HE2 LYS 96 - HB3 LYS 73 poor 9 70 - 12 - HE2 LYS 44 - HB3 LYS 123 poor 7 61 - 11 - HE3 LYS 44 - HB3 LYS 123 poor 7 61 - 11 - HE3 LYS 94 - HB2 LYS 43 lone 5 77 - 6 - ~11106=2, ~8085=2 HE3 LYS 94 - HB3 LYS 43 lone 5 72 - 6 - ~11106=2, ~8085=2 HE3 LYS 44 - HB2 LYS 73 lone 4 75 - 5 - HE2 LYS 44 - HB2 LYS 73 lone 4 75 - 5 - HE3 LYS 44 - HB3 LYS 73 lone 4 70 - 5 - HE2 LYS 44 - HB3 LYS 73 lone 4 70 - 5 - HE3 LYS 65 - HB3 LYS 44 lone 3 81 - 3 - HE2 LYS 65 - HB3 LYS 44 lone 3 81 - 3 - HE3 LYS 94 - HB2 LYS 96 lone 2 78 - 3 - HE3 LYS 94 - HB3 LYS 44 lone 2 84 - 3 - HE2 LYS 65 - HB2 LYS 44 lone 2 75 - 3 - HE3 LYS 65 - HB2 LYS 44 lone 2 75 - 3 - HE3 LYS 94 - HB2 LYS 44 lone 2 78 - 3 - HE3 LYS 96 - HB3 LYS 123 lone 2 61 - 3 - HE2 LYS 96 - HB3 LYS 123 lone 2 61 - 3 - HE3 LYS 65 - HB3 LYS 123 lone 1 43 - 3 - HE2 LYS 65 - HB3 LYS 123 lone 1 43 - 3 - HE3 LYS 94 - HB3 LYS 123 lone 1 45 - 2 - HD3 ARG 30 - HB3 LYS 44 lone 1 100 - 1 - HD3 ARG 30 - HB2 LYS 44 lone 1 97 - 1 - HD3 ARG 30 - HB2 LYS 96 lone 1 97 - 1 - HD3 ARG 30 - HB2 LYS 43 lone 1 96 - 1 - HB2 ASP 86 - HB3 LYS 44 lone 1 100 - 1 - HD3 ARG 30 - HB3 LYS 43 lone 1 91 - 1 - HB2 ASP 86 - HB2 LYS 44 lone 1 97 - 1 - HB2 ASP 86 - HB2 LYS 96 lone 1 97 - 1 - HE2 LYS 65 - HB2 LYS 43 lone 1 74 - 1 - HE3 LYS 65 - HB2 LYS 43 lone 1 74 - 1 - HE2 LYS 65 - HB3 LYS 43 lone 1 69 - 1 - HE3 LYS 65 - HB3 LYS 43 lone 1 69 - 1 - HB2 ASP 86 - HB2 LYS 43 lone 0 96 - 0 - HB2 ASP 86 - HB3 LYS 43 lone 0 91 - 0 - HD3 ARG 30 - HB2 LYS 73 lone 0 74 - 1 - HD3 ARG 30 - HB3 LYS 73 lone 0 69 - 1 - HE2 LYS 65 - HB2 LYS 73 lone 0 54 - 1 - HE3 LYS 65 - HB2 LYS 73 lone 0 54 - 1 - HB2 ASP 86 - HB2 LYS 73 lone 0 74 - 0 - HE3 LYS 94 - HB2 LYS 73 lone 0 56 - 1 - HE3 LYS 65 - HB3 LYS 73 lone 0 50 - 1 - HE2 LYS 65 - HB3 LYS 73 lone 0 50 - 1 - HE3 LYS 94 - HB3 LYS 73 lone 0 52 - 1 - HB2 ASP 86 - HB3 LYS 73 lone 0 69 - 0 - HD3 ARG 30 - HB3 LYS 123 lone 0 60 - 0 - HB2 ASP 86 - HB3 LYS 123 lone 0 60 - 0 - Peak 3929 from cnoeabs.peaks (2.93, 1.91, 32.07 ppm; 3.67 A): 12 out of 72 assignments used, quality = 1.00: HE2 LYS 96 + HB2 LYS 96 OK 88 97 - 90 - 4.9=42, 6099/1.8=7...(59) HE3 LYS 96 + HB2 LYS 96 OK 88 97 - 90 - 4.9=42, 6099/1.8=7...(59) * HE3 LYS 44 + HB3 LYS 44 OK 88 100 - 88 - 5.0=40, 3.7/3915=5...(58) HE2 LYS 44 + HB3 LYS 44 OK 88 100 - 88 - 5.0=40, 3.7/3915=5...(58) HE2 LYS 44 + HB2 LYS 44 OK 85 97 - 88 - 5.0=40, 3.7/3915=5...(58) HE3 LYS 44 + HB2 LYS 44 OK 85 97 - 88 - 5.0=40, 3.7/3915=5...(58) HE2 LYS 44 + HB2 LYS 96 OK 65 97 - 68 - 6099/1.8=6, 6079/3.0=4...(48) HE3 LYS 44 + HB2 LYS 96 OK 65 97 - 68 - 6099/1.8=6, 6079/3.0=4...(48) HE3 LYS 96 + HB3 LYS 44 OK 55 100 - 55 - 3909/3.0=3, 3938/2.9=3...(37) HE2 LYS 96 + HB3 LYS 44 OK 55 100 - 55 - 3909/3.0=3, 3938/2.9=3...(37) HE3 LYS 96 + HB2 LYS 44 OK 54 97 - 56 - 3909/3.0=3, 3938/2.9=3...(37) HE2 LYS 96 + HB2 LYS 44 OK 54 97 - 56 - 3909/3.0=3, 3938/2.9=3...(37) HE3 LYS 96 - HB2 LYS 43 OK 13 97 - 14 - 1290/4.7=2 HE2 LYS 96 - HB2 LYS 43 OK 13 97 - 14 - 1290/4.7=2 HE3 LYS 44 - HB2 LYS 43 OK 13 97 - 13 - 1290/4.7=3 HE2 LYS 44 - HB2 LYS 43 OK 13 97 - 13 - 1290/4.7=3 HE2 LYS 96 - HB3 LYS 43 OK 12 92 - 13 - 1290/4.7=2 HE3 LYS 96 - HB3 LYS 43 OK 12 92 - 13 - 1290/4.7=2 HE2 LYS 44 - HB3 LYS 43 OK 12 92 - 13 - 1291/4.7=3 HE3 LYS 44 - HB3 LYS 43 OK 12 92 - 13 - 1291/4.7=3 HE2 LYS 65 - HB2 LYS 96 OK 11 75 - 14 - 6099/1.8=1 HE3 LYS 65 - HB2 LYS 96 OK 11 75 - 14 - 6099/1.8=1 HE2 LYS 96 - HB2 LYS 73 poor 9 75 - 12 - HE3 LYS 96 - HB2 LYS 73 poor 9 75 - 12 - HE3 LYS 96 - HB3 LYS 73 poor 9 70 - 12 - HE2 LYS 96 - HB3 LYS 73 poor 9 70 - 12 - HE2 LYS 44 - HB3 LYS 123 poor 7 61 - 11 - HE3 LYS 44 - HB3 LYS 123 poor 7 61 - 11 - HE3 LYS 94 - HB2 LYS 43 lone 5 77 - 6 - ~11106=2, ~8085=2 HE3 LYS 94 - HB3 LYS 43 lone 5 72 - 6 - ~11106=2, ~8085=2 HE3 LYS 44 - HB2 LYS 73 lone 4 75 - 5 - HE2 LYS 44 - HB2 LYS 73 lone 4 75 - 5 - HE3 LYS 44 - HB3 LYS 73 lone 4 70 - 5 - HE2 LYS 44 - HB3 LYS 73 lone 4 70 - 5 - HE3 LYS 65 - HB3 LYS 44 lone 3 81 - 3 - HE2 LYS 65 - HB3 LYS 44 lone 3 81 - 3 - HE3 LYS 94 - HB2 LYS 96 lone 2 78 - 3 - HE3 LYS 94 - HB3 LYS 44 lone 2 84 - 3 - HE2 LYS 65 - HB2 LYS 44 lone 2 75 - 3 - HE3 LYS 65 - HB2 LYS 44 lone 2 75 - 3 - HE3 LYS 94 - HB2 LYS 44 lone 2 78 - 3 - HE3 LYS 96 - HB3 LYS 123 lone 2 61 - 3 - HE2 LYS 96 - HB3 LYS 123 lone 2 61 - 3 - HE3 LYS 65 - HB3 LYS 123 lone 1 43 - 3 - HE2 LYS 65 - HB3 LYS 123 lone 1 43 - 3 - HE3 LYS 94 - HB3 LYS 123 lone 1 45 - 2 - HD3 ARG 30 - HB3 LYS 44 lone 1 100 - 1 - HD3 ARG 30 - HB2 LYS 44 lone 1 97 - 1 - HD3 ARG 30 - HB2 LYS 96 lone 1 97 - 1 - HD3 ARG 30 - HB2 LYS 43 lone 1 96 - 1 - HB2 ASP 86 - HB3 LYS 44 lone 1 100 - 1 - HD3 ARG 30 - HB3 LYS 43 lone 1 91 - 1 - HB2 ASP 86 - HB2 LYS 44 lone 1 97 - 1 - HB2 ASP 86 - HB2 LYS 96 lone 1 97 - 1 - HE2 LYS 65 - HB2 LYS 43 lone 1 74 - 1 - HE3 LYS 65 - HB2 LYS 43 lone 1 74 - 1 - HE2 LYS 65 - HB3 LYS 43 lone 1 69 - 1 - HE3 LYS 65 - HB3 LYS 43 lone 1 69 - 1 - HB2 ASP 86 - HB2 LYS 43 lone 0 96 - 0 - HB2 ASP 86 - HB3 LYS 43 lone 0 91 - 0 - HD3 ARG 30 - HB2 LYS 73 lone 0 74 - 1 - HD3 ARG 30 - HB3 LYS 73 lone 0 69 - 1 - HE2 LYS 65 - HB2 LYS 73 lone 0 54 - 1 - HE3 LYS 65 - HB2 LYS 73 lone 0 54 - 1 - HB2 ASP 86 - HB2 LYS 73 lone 0 74 - 0 - HE3 LYS 94 - HB2 LYS 73 lone 0 56 - 1 - HE3 LYS 65 - HB3 LYS 73 lone 0 50 - 1 - HE2 LYS 65 - HB3 LYS 73 lone 0 50 - 1 - HE3 LYS 94 - HB3 LYS 73 lone 0 52 - 1 - HB2 ASP 86 - HB3 LYS 73 lone 0 69 - 0 - HD3 ARG 30 - HB3 LYS 123 lone 0 60 - 0 - HB2 ASP 86 - HB3 LYS 123 lone 0 60 - 0 - Peak 3930 from cnoeabs.peaks (7.45, 1.58, 24.91 ppm; 3.98 A): 2 out of 3 assignments used, quality = 0.94: * H LYS 44 + HG2 LYS 44 OK 90 100 - 90 - 4.9=53, 1287/1.8=21...(23) H LYS 44 + HG3 LYS 96 OK 41 73 - 56 - 1286=13, 1287/1.8=13...(21) H LYS 44 - HG2 LYS 73 poor 8 57 - 14 - 1286=3, 4.6/265=3, 3.0/3904=2 Peak 3931 from cnoeabs.peaks (4.06, 1.58, 24.91 ppm; 3.73 A): 3 out of 24 assignments used, quality = 0.99: * HA LYS 44 + HG2 LYS 44 OK 95 100 - 95 - 4.2=72, 3905/1.8=18...(33) HA LYS 96 + HG3 LYS 96 OK 69 71 - 97 - 4.0=84, 6075/1.8=19...(29) HA LYS 96 + HG2 LYS 44 OK 58 99 - 59 - 6075/1.8=11, 6076=10...(21) HA LYS 44 - HG3 LYS 96 OK 43 73 - 59 - 3905/1.8=11, 3904=9...(23) HA GLU 69 - HG2 LYS 73 OK 11 54 - 20 - 2127/4.9=7, 2.9/425=3...(6) HA LYS 44 - HG2 LYS 73 OK 10 57 - 18 - 2127/4.9=4, 3.6/265=3...(4) HA LYS 96 - HG2 LYS 73 poor 9 56 - 16 - 6077/3.0=1, 6077/3.0=1 HA GLU 69 - HG2 LYS 44 lone 7 98 - 7 - 2.9/425=1, 3904=1 HA3 GLY 125 - HG3 LYS 96 lone 3 73 - 5 - HA3 GLY 125 - HG2 LYS 44 lone 3 100 - 3 - HA2 GLY 125 - HG2 LYS 44 lone 3 94 - 3 - HA2 GLY 125 - HG3 LYS 96 lone 3 64 - 5 - HA GLU 69 - HG3 LYS 96 lone 3 69 - 4 - HA GLU 91 - HG2 LYS 44 lone 2 87 - 2 - HA SER 35 - HG3 LYS 96 lone 2 49 - 4 - 8033/5.0=2 HA GLU 37 - HG3 LYS 96 lone 2 73 - 2 - HA GLU 91 - HG3 LYS 96 lone 2 57 - 3 - HA GLU 37 - HG2 LYS 44 lone 1 100 - 1 - HA GLU 37 - HG2 LYS 73 lone 1 57 - 2 - HA3 GLY 125 - HG2 LYS 73 lone 1 57 - 2 - HA2 GLY 125 - HG2 LYS 73 lone 1 49 - 2 - HA SER 35 - HG2 LYS 44 lone 1 77 - 1 - HA SER 35 - HG2 LYS 73 lone 1 37 - 2 - HA GLU 91 - HG2 LYS 73 lone 0 44 - 1 - Peak 3932 from cnoeabs.peaks (1.91, 1.58, 24.91 ppm; 2.96 A): 3 out of 5 assignments used, quality = 1.00: * HB2 LYS 44 + HG2 LYS 44 OK 100 100 - 100 - 2.9=100 HB3 LYS 44 + HG2 LYS 44 OK 99 99 - 100 - 2.9=100 HB2 LYS 96 + HG3 LYS 96 OK 62 62 - 100 - 2.9=100 HB2 LYS 73 - HG2 LYS 73 OK 35 35 - 100 - 2.9=100 HB3 LYS 73 - HG2 LYS 73 OK 33 33 - 100 - 2.9=100 Peak 3933 from cnoeabs.peaks (1.91, 1.58, 24.91 ppm; 2.96 A): 4 out of 5 assignments used, quality = 1.00: * HB3 LYS 44 + HG2 LYS 44 OK 100 100 - 100 - 2.9=100 HB2 LYS 44 + HG2 LYS 44 OK 99 99 - 100 - 2.9=100 HB2 LYS 96 + HG3 LYS 96 OK 70 70 - 100 - 2.9=100 HB2 LYS 73 + HG2 LYS 73 OK 46 46 - 100 - 2.9=100 HB3 LYS 73 - HG2 LYS 73 OK 44 44 - 100 - 2.9=100 Peak 3934 from cnoeabs.peaks (1.58, 1.58, 24.91 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HG2 LYS 44 + HG2 LYS 44 OK 100 100 - 100 HG3 LYS 96 + HG3 LYS 96 OK 57 57 - 100 HG2 LYS 73 - HG2 LYS 73 OK 37 37 - 100 Peak 3935 from cnoeabs.peaks (1.44, 1.58, 24.91 ppm; 2.47 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 44 + HG2 LYS 44 OK 100 100 - 100 - 1.8=100 HG2 LYS 96 + HG3 LYS 96 OK 73 73 - 100 - 1.8=100 Peak 3936 from cnoeabs.peaks (1.70, 1.58, 24.91 ppm; 2.65 A): 2 out of 63 assignments used, quality = 0.99: HD3 LYS 44 + HG2 LYS 44 OK 89 100 - 89 - 2.9=73, 1.8/3954=9...(30) * HD2 LYS 44 + HG2 LYS 44 OK 89 100 - 89 - 2.9=73, 1.8/3954=9...(29) HD3 LYS 96 - HG3 LYS 96 OK 36 41 - 88 - 3.0=71, 1.8/6126=6...(32) HD3 LYS 44 - HG3 LYS 96 OK 32 73 - 45 - 3964=5, 1.8/3954=4...(13) HD2 LYS 44 - HG3 LYS 96 OK 32 73 - 44 - 3964=5, 1.8/3954=4...(13) HD2 LYS 73 - HG2 LYS 73 OK 31 35 - 87 - 3.0=72, 1.8/5187=6...(21) HD3 LYS 73 - HG2 LYS 73 OK 29 33 - 87 - 3.0=72, 1.8/5177=6...(21) HD3 LYS 96 - HG2 LYS 44 OK 21 65 - 33 - 1.8/6126=2, 6136=2...(11) HD3 LYS 39 - HG2 LYS 44 lone 10 99 - 10 - 3964=1 HD2 LYS 39 - HG2 LYS 44 lone 10 99 - 10 - 3964=1 HG3 LYS 123 - HG2 LYS 44 lone 9 100 - 9 - HD2 LYS 20 - HG2 LYS 73 poor 9 42 - 21 - 1.8/5177=1, 5177=1...(5) HD3 LYS 20 - HG2 LYS 73 poor 8 39 - 21 - 1.8/5177=1, 5177=1...(5) HG3 LYS 39 - HG2 LYS 44 lone 7 100 - 7 - HD3 LYS 43 - HG2 LYS 73 poor 7 33 - 21 - 1.8/5187=1, 5177=1...(7) HD2 LYS 20 - HG3 LYS 96 poor 7 55 - 12 - HD3 LYS 39 - HG3 LYS 96 lone 7 71 - 9 - HG3 LYS 39 - HG3 LYS 96 lone 7 73 - 9 - 7476/5.1=2, 3598/5.0=2 HD2 LYS 39 - HG3 LYS 96 lone 6 70 - 9 - HD3 LYS 20 - HG3 LYS 96 poor 6 52 - 12 - HD2 LYS 73 - HG3 LYS 96 poor 6 46 - 13 - HD3 LYS 73 - HG3 LYS 96 poor 6 44 - 13 - HD3 LYS 43 - HG2 LYS 44 lone 5 70 - 7 - HD2 LYS 73 - HG2 LYS 44 lone 5 73 - 6 - HD3 LYS 43 - HG3 LYS 96 poor 4 44 - 10 - HD3 LYS 73 - HG2 LYS 44 lone 4 70 - 6 - HD3 LYS 96 - HG2 LYS 73 lone 3 31 - 10 - HD3 LYS 44 - HG2 LYS 73 lone 3 57 - 5 - HD2 LYS 44 - HG2 LYS 73 lone 3 57 - 5 - HG3 LYS 123 - HG3 LYS 96 lone 2 73 - 3 - HD2 LYS 20 - HG2 LYS 44 lone 2 84 - 3 - HD3 LYS 20 - HG2 LYS 44 lone 2 81 - 3 - HD2 LYS 40 - HG3 LYS 96 lone 2 38 - 6 - HD3 LYS 39 - HG2 LYS 73 lone 2 56 - 3 - HD2 LYS 39 - HG2 LYS 73 lone 2 55 - 3 - HD3 LYS 16 - HG2 LYS 73 lone 2 44 - 4 - HG12 ILE 71 - HG3 LYS 96 lone 2 68 - 2 - HD2 LYS 40 - HG2 LYS 73 lone 2 28 - 5 - HD3 LYS 16 - HG2 LYS 44 lone 1 87 - 2 - HD3 LYS 16 - HG3 LYS 96 lone 1 57 - 2 - HG LEU 74 - HG2 LYS 73 lone 1 56 - 3 - 4.9/456=1 HD2 LYS 16 - HG2 LYS 73 lone 1 37 - 4 - HD2 LYS 16 - HG2 LYS 44 lone 1 77 - 2 - HG12 ILE 71 - HG2 LYS 73 lone 1 52 - 2 - HD2 LYS 16 - HG3 LYS 96 lone 1 49 - 2 - HG12 ILE 71 - HG2 LYS 44 lone 1 97 - 1 - HG3 LYS 39 - HG2 LYS 73 lone 1 57 - 1 - HD2 LYS 40 - HG2 LYS 44 lone 1 61 - 1 - HG LEU 74 - HG2 LYS 44 lone 0 100 - 0 - HB ILE 56 - HG3 LYS 96 lone 0 57 - 1 - HB ILE 56 - HG2 LYS 44 lone 0 87 - 0 - HG3 LYS 123 - HG2 LYS 73 lone 0 57 - 1 - HB3 LYS 106 - HG2 LYS 44 lone 0 81 - 0 - HB2 LYS 106 - HG2 LYS 44 lone 0 73 - 0 - HB ILE 54 - HG2 LYS 44 lone 0 61 - 0 - HG LEU 74 - HG3 LYS 96 lone 0 72 - 0 - HB3 LYS 106 - HG3 LYS 96 lone 0 52 - 0 - HB ILE 54 - HG3 LYS 96 lone 0 38 - 0 - HB2 LYS 106 - HG3 LYS 96 lone 0 46 - 0 - HB ILE 56 - HG2 LYS 73 lone 0 44 - 0 - HB ILE 54 - HG2 LYS 73 lone 0 28 - 0 - HB3 LYS 106 - HG2 LYS 73 lone 0 39 - 0 - HB2 LYS 106 - HG2 LYS 73 lone 0 35 - 0 - Peak 3937 from cnoeabs.peaks (1.70, 1.58, 24.91 ppm; 2.65 A): 2 out of 54 assignments used, quality = 0.99: * HD3 LYS 44 + HG2 LYS 44 OK 89 100 - 89 - 2.9=73, 1.8/3954=9...(30) HD2 LYS 44 + HG2 LYS 44 OK 89 100 - 89 - 2.9=73, 1.8/3954=9...(29) HD3 LYS 44 - HG3 LYS 96 OK 32 73 - 45 - 3964=5, 1.8/3954=4...(13) HD2 LYS 44 - HG3 LYS 96 OK 32 73 - 44 - 3964=5, 1.8/3954=4...(13) HD2 LYS 73 - HG2 LYS 73 OK 27 31 - 87 - 3.0=72, 1.8/5187=6...(21) HD3 LYS 73 - HG2 LYS 73 OK 25 28 - 87 - 3.0=72, 1.8/5177=6...(21) HD3 LYS 39 - HG2 LYS 44 lone 10 100 - 10 - 3964=1 HD2 LYS 39 - HG2 LYS 44 lone 10 100 - 10 - 3964=1 HG3 LYS 123 - HG2 LYS 44 lone 9 99 - 9 - HD2 LYS 20 - HG2 LYS 73 poor 8 37 - 21 - 1.8/5177=1, ~5170=1...(4) HD3 LYS 20 - HG2 LYS 73 poor 7 35 - 21 - 1.8/5177=1, ~5170=1...(4) HG3 LYS 39 - HG2 LYS 44 lone 7 99 - 7 - HD3 LYS 39 - HG3 LYS 96 lone 7 73 - 9 - HD2 LYS 39 - HG3 LYS 96 lone 7 72 - 9 - HG3 LYS 39 - HG3 LYS 96 lone 6 71 - 9 - 7476/5.1=2, 3598/5.0=2 HD2 LYS 20 - HG3 LYS 96 poor 6 49 - 12 - HD3 LYS 43 - HG2 LYS 73 poor 6 28 - 20 - 1.8/5187=1, 3.0/5197=1...(6) HD3 LYS 20 - HG3 LYS 96 poor 6 46 - 12 - HD2 LYS 73 - HG3 LYS 96 poor 5 41 - 12 - HD3 LYS 73 - HG3 LYS 96 poor 5 38 - 12 - HD3 LYS 43 - HG2 LYS 44 lone 4 61 - 7 - HD2 LYS 73 - HG2 LYS 44 lone 4 65 - 6 - HD3 LYS 43 - HG3 LYS 96 poor 4 38 - 10 - HD3 LYS 73 - HG2 LYS 44 lone 4 61 - 6 - HD3 LYS 44 - HG2 LYS 73 lone 3 57 - 5 - HD2 LYS 44 - HG2 LYS 73 lone 3 57 - 5 - HG3 LYS 123 - HG3 LYS 96 lone 2 71 - 3 - HD2 LYS 20 - HG2 LYS 44 lone 2 77 - 3 - HD3 LYS 20 - HG2 LYS 44 lone 2 73 - 3 - HD3 LYS 39 - HG2 LYS 73 lone 2 57 - 3 - HD2 LYS 39 - HG2 LYS 73 lone 2 56 - 3 - HD3 LYS 16 - HG2 LYS 73 lone 1 39 - 4 - HG12 ILE 71 - HG3 LYS 96 lone 1 64 - 2 - HG LEU 74 - HG2 LYS 73 lone 1 57 - 3 - 4.9/456=1 HD3 LYS 16 - HG2 LYS 44 lone 1 81 - 2 - HD3 LYS 16 - HG3 LYS 96 lone 1 52 - 2 - HD2 LYS 16 - HG2 LYS 73 lone 1 33 - 4 - HD2 LYS 16 - HG2 LYS 44 lone 1 70 - 2 - HG12 ILE 71 - HG2 LYS 44 lone 1 94 - 1 - HG12 ILE 71 - HG2 LYS 73 lone 1 49 - 2 - HD2 LYS 16 - HG3 LYS 96 lone 1 44 - 2 - HG3 LYS 39 - HG2 LYS 73 lone 1 56 - 1 - HG LEU 74 - HG2 LYS 44 lone 0 100 - 0 - HB ILE 56 - HG3 LYS 96 lone 0 52 - 1 - HB ILE 56 - HG2 LYS 44 lone 0 81 - 0 - HG3 LYS 123 - HG2 LYS 73 lone 0 56 - 1 - HB3 LYS 106 - HG2 LYS 44 lone 0 87 - 0 - HB2 LYS 106 - HG2 LYS 44 lone 0 81 - 0 - HG LEU 74 - HG3 LYS 96 lone 0 73 - 0 - HB3 LYS 106 - HG3 LYS 96 lone 0 57 - 0 - HB2 LYS 106 - HG3 LYS 96 lone 0 52 - 0 - HB ILE 56 - HG2 LYS 73 lone 0 39 - 0 - HB3 LYS 106 - HG2 LYS 73 lone 0 44 - 0 - HB2 LYS 106 - HG2 LYS 73 lone 0 39 - 0 - Peak 3938 from cnoeabs.peaks (2.93, 1.58, 24.91 ppm; 3.54 A): 8 out of 27 assignments used, quality = 1.00: * HE2 LYS 44 + HG2 LYS 44 OK 97 100 - 97 - 3.7=85, 3.0/3954=10...(50) HE3 LYS 44 + HG2 LYS 44 OK 97 100 - 97 - 3.7=85, 3.0/3954=10...(50) HE2 LYS 96 + HG3 LYS 96 OK 71 73 - 96 - 3.8=81, 3.0/6126=7...(52) HE3 LYS 96 + HG3 LYS 96 OK 71 73 - 96 - 3.8=81, 3.0/6126=7...(52) HE2 LYS 96 + HG2 LYS 44 OK 51 100 - 52 - 3974=3, 1.8/3984=3...(29) HE3 LYS 96 + HG2 LYS 44 OK 51 100 - 52 - 3984=3, 1.8/3984=3...(29) HE3 LYS 44 + HG3 LYS 96 OK 48 73 - 66 - 6100/2.9=5, 3984=4...(36) HE2 LYS 44 + HG3 LYS 96 OK 48 73 - 66 - 6100/2.9=5, 3984=4...(36) HE3 LYS 96 - HG2 LYS 73 poor 6 57 - 11 - HE2 LYS 96 - HG2 LYS 73 poor 6 57 - 11 - HE3 LYS 65 - HG3 LYS 96 poor 6 52 - 12 - HE2 LYS 65 - HG3 LYS 96 poor 6 52 - 12 - HE3 LYS 44 - HG2 LYS 73 lone 3 57 - 5 - HE2 LYS 44 - HG2 LYS 73 lone 3 57 - 5 - HE2 LYS 65 - HG2 LYS 44 lone 3 81 - 3 - HE3 LYS 65 - HG2 LYS 44 lone 3 81 - 3 - HE3 LYS 94 - HG2 LYS 44 lone 2 84 - 2 - HE3 LYS 94 - HG3 LYS 96 lone 2 55 - 3 - HD3 ARG 30 - HG2 LYS 44 lone 1 100 - 1 - HB2 ASP 86 - HG2 LYS 44 lone 1 100 - 1 - HD3 ARG 30 - HG3 LYS 96 lone 1 72 - 1 - HB2 ASP 86 - HG3 LYS 96 lone 0 72 - 1 - HE3 LYS 65 - HG2 LYS 73 lone 0 39 - 1 - HE2 LYS 65 - HG2 LYS 73 lone 0 39 - 1 - HD3 ARG 30 - HG2 LYS 73 lone 0 56 - 0 - HB2 ASP 86 - HG2 LYS 73 lone 0 56 - 0 - HE3 LYS 94 - HG2 LYS 73 lone 0 42 - 1 - Peak 3939 from cnoeabs.peaks (2.93, 1.58, 24.91 ppm; 3.54 A): 8 out of 27 assignments used, quality = 1.00: HE2 LYS 44 + HG2 LYS 44 OK 97 100 - 97 - 3.7=85, 3.0/3954=10...(50) * HE3 LYS 44 + HG2 LYS 44 OK 97 100 - 97 - 3.7=85, 3.0/3954=10...(50) HE2 LYS 96 + HG3 LYS 96 OK 71 73 - 96 - 3.8=81, 3.0/6126=7...(52) HE3 LYS 96 + HG3 LYS 96 OK 71 73 - 96 - 3.8=81, 3.0/6126=7...(52) HE2 LYS 96 + HG2 LYS 44 OK 51 100 - 52 - 3974=3, 1.8/3984=3...(29) HE3 LYS 96 + HG2 LYS 44 OK 51 100 - 52 - 3984=3, 1.8/3984=3...(29) HE3 LYS 44 + HG3 LYS 96 OK 48 73 - 66 - 6100/2.9=5, 3984=4...(36) HE2 LYS 44 + HG3 LYS 96 OK 48 73 - 66 - 6100/2.9=5, 3984=4...(36) HE3 LYS 96 - HG2 LYS 73 poor 6 57 - 11 - HE2 LYS 96 - HG2 LYS 73 poor 6 57 - 11 - HE3 LYS 65 - HG3 LYS 96 poor 6 52 - 12 - HE2 LYS 65 - HG3 LYS 96 poor 6 52 - 12 - HE3 LYS 44 - HG2 LYS 73 lone 3 57 - 5 - HE2 LYS 44 - HG2 LYS 73 lone 3 57 - 5 - HE2 LYS 65 - HG2 LYS 44 lone 3 81 - 3 - HE3 LYS 65 - HG2 LYS 44 lone 3 81 - 3 - HE3 LYS 94 - HG2 LYS 44 lone 2 84 - 2 - HE3 LYS 94 - HG3 LYS 96 lone 2 55 - 3 - HD3 ARG 30 - HG2 LYS 44 lone 1 100 - 1 - HB2 ASP 86 - HG2 LYS 44 lone 1 100 - 1 - HD3 ARG 30 - HG3 LYS 96 lone 1 72 - 1 - HB2 ASP 86 - HG3 LYS 96 lone 0 72 - 1 - HE3 LYS 65 - HG2 LYS 73 lone 0 39 - 1 - HE2 LYS 65 - HG2 LYS 73 lone 0 39 - 1 - HD3 ARG 30 - HG2 LYS 73 lone 0 56 - 0 - HB2 ASP 86 - HG2 LYS 73 lone 0 56 - 0 - HE3 LYS 94 - HG2 LYS 73 lone 0 42 - 1 - Peak 3940 from cnoeabs.peaks (7.45, 1.44, 24.91 ppm; 4.63 A): 2 out of 2 assignments used, quality = 0.99: * H LYS 44 + HG3 LYS 44 OK 98 100 - 98 - 4.9=83, 3930/1.8=30...(22) H LYS 44 + HG2 LYS 96 OK 66 100 - 66 - 1287=17, 3930/1.8=13...(25) Peak 3941 from cnoeabs.peaks (4.06, 1.44, 24.91 ppm; 3.43 A): 4 out of 16 assignments used, quality = 1.00: HA LYS 96 + HG2 LYS 96 OK 91 99 - 92 - 4.0=65, 6076/1.8=18...(31) * HA LYS 44 + HG3 LYS 44 OK 90 100 - 90 - 4.2=56, 3904/1.8=13...(34) HA LYS 96 + HG3 LYS 44 OK 56 99 - 56 - 6075=13, 6076/1.8=9...(20) HA LYS 44 + HG2 LYS 96 OK 54 100 - 54 - 3905=12, 3.0/1287=7...(15) HA GLU 69 - HG3 LYS 44 lone 5 98 - 5 - 3905=1 HA3 GLY 125 - HG2 LYS 96 lone 4 100 - 4 - HA2 GLY 125 - HG2 LYS 96 lone 4 93 - 4 - HA2 GLY 125 - HG3 LYS 44 lone 3 94 - 3 - HA3 GLY 125 - HG3 LYS 44 lone 3 100 - 3 - HA GLU 69 - HG2 LYS 96 lone 3 98 - 3 - HA SER 35 - HG2 LYS 96 lone 3 76 - 3 - 8033/5.0=1 HA GLU 91 - HG2 LYS 96 lone 2 86 - 3 - HA GLU 37 - HG2 LYS 96 lone 2 100 - 2 - HA GLU 91 - HG3 LYS 44 lone 2 87 - 2 - HA GLU 37 - HG3 LYS 44 lone 1 100 - 1 - HA SER 35 - HG3 LYS 44 lone 1 77 - 1 - Peak 3942 from cnoeabs.peaks (1.91, 1.44, 24.91 ppm; 3.00 A): 3 out of 3 assignments used, quality = 1.00: * HB2 LYS 44 + HG3 LYS 44 OK 100 100 - 100 - 2.9=100 HB3 LYS 44 + HG3 LYS 44 OK 99 99 - 100 - 2.9=100 HB2 LYS 96 + HG2 LYS 96 OK 91 91 - 100 - 2.9=100 Peak 3943 from cnoeabs.peaks (1.91, 1.44, 24.91 ppm; 3.00 A): 3 out of 3 assignments used, quality = 1.00: * HB3 LYS 44 + HG3 LYS 44 OK 100 100 - 100 - 2.9=100 HB2 LYS 44 + HG3 LYS 44 OK 99 99 - 100 - 2.9=100 HB2 LYS 96 + HG2 LYS 96 OK 98 98 - 100 - 2.9=100 Peak 3944 from cnoeabs.peaks (1.58, 1.44, 24.91 ppm; 2.40 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 44 + HG3 LYS 44 OK 100 100 - 100 - 1.8=100 HG3 LYS 96 + HG2 LYS 96 OK 86 86 - 100 - 1.8=100 Peak 3945 from cnoeabs.peaks (1.44, 1.44, 24.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 44 + HG3 LYS 44 OK 100 100 - 100 HG2 LYS 96 + HG2 LYS 96 OK 100 100 - 100 Peak 3946 from cnoeabs.peaks (1.70, 1.44, 24.91 ppm; 2.80 A): 5 out of 42 assignments used, quality = 1.00: HD3 LYS 44 + HG3 LYS 44 OK 95 100 - 95 - 2.9=86, 3954/1.8=10...(31) * HD2 LYS 44 + HG3 LYS 44 OK 95 100 - 95 - 2.9=86, 3954/1.8=10...(30) HD3 LYS 96 + HG2 LYS 96 OK 61 65 - 94 - 3.0=83, 1.8/6125=7...(32) HD3 LYS 44 + HG2 LYS 96 OK 48 100 - 48 - 3965=5, 3954/1.8=4...(18) HD2 LYS 44 + HG2 LYS 96 OK 47 100 - 48 - 3965=5, 3954/1.8=4...(17) HD3 LYS 96 - HG3 LYS 44 OK 26 65 - 39 - 1.8/6125=3, 6135=2...(13) HD2 LYS 20 - HG2 LYS 96 OK 12 83 - 14 - 1.8/6135=1 HD3 LYS 20 - HG2 LYS 96 OK 11 80 - 14 - 1.8/6135=1 HG3 LYS 39 - HG2 LYS 96 OK 11 100 - 11 - 7476/5.1=2, 3598/5.0=2 HD3 LYS 39 - HG3 LYS 44 OK 11 99 - 11 - 3965=1 HD2 LYS 39 - HG3 LYS 44 OK 11 99 - 11 - 3965=1 HD2 LYS 73 - HG2 LYS 96 OK 11 73 - 15 - 1.8/6125=1 HD3 LYS 39 - HG2 LYS 96 OK 10 99 - 10 - HD3 LYS 73 - HG2 LYS 96 OK 10 69 - 15 - 1.8/6135=1 HD2 LYS 39 - HG2 LYS 96 OK 10 98 - 10 - HG3 LYS 39 - HG3 LYS 44 lone 9 100 - 9 - HD3 LYS 43 - HG2 LYS 96 poor 9 69 - 12 - HG3 LYS 123 - HG3 LYS 44 lone 8 100 - 9 - HD3 LYS 43 - HG3 LYS 44 lone 6 70 - 8 - HD2 LYS 73 - HG3 LYS 44 lone 6 73 - 8 - HD3 LYS 73 - HG3 LYS 44 lone 5 70 - 8 - HD2 LYS 40 - HG2 LYS 96 lone 4 61 - 7 - 6.2/6101=1 HG3 LYS 123 - HG2 LYS 96 lone 3 100 - 3 - HD2 LYS 20 - HG3 LYS 44 lone 3 84 - 3 - HD3 LYS 16 - HG2 LYS 96 lone 3 86 - 3 - HG12 ILE 71 - HG2 LYS 96 lone 3 96 - 3 - HD3 LYS 20 - HG3 LYS 44 lone 3 81 - 3 - HD2 LYS 16 - HG2 LYS 96 lone 3 76 - 3 - HD3 LYS 16 - HG3 LYS 44 lone 2 87 - 2 - HD2 LYS 16 - HG3 LYS 44 lone 2 77 - 2 - HG12 ILE 71 - HG3 LYS 44 lone 1 97 - 1 - HD2 LYS 40 - HG3 LYS 44 lone 1 61 - 2 - HB ILE 56 - HG2 LYS 96 lone 1 86 - 1 - HB ILE 56 - HG3 LYS 44 lone 0 87 - 0 - HG LEU 74 - HG3 LYS 44 lone 0 100 - 0 - HB ILE 54 - HG2 LYS 96 lone 0 61 - 1 - HB3 LYS 106 - HG3 LYS 44 lone 0 81 - 0 - HG LEU 74 - HG2 LYS 96 lone 0 99 - 0 - HB3 LYS 106 - HG2 LYS 96 lone 0 80 - 0 - HB2 LYS 106 - HG3 LYS 44 lone 0 73 - 0 - HB ILE 54 - HG3 LYS 44 lone 0 61 - 0 - HB2 LYS 106 - HG2 LYS 96 lone 0 73 - 0 - Peak 3947 from cnoeabs.peaks (1.70, 1.44, 24.91 ppm; 2.80 A): 4 out of 36 assignments used, quality = 1.00: * HD3 LYS 44 + HG3 LYS 44 OK 95 100 - 95 - 2.9=86, 3954/1.8=10...(31) HD2 LYS 44 + HG3 LYS 44 OK 95 100 - 95 - 2.9=86, 3954/1.8=10...(30) HD3 LYS 44 + HG2 LYS 96 OK 48 100 - 48 - 3965=5, 3964/1.8=4...(18) HD2 LYS 44 + HG2 LYS 96 OK 47 100 - 48 - 3965=5, 3954/1.8=4...(17) HD3 LYS 39 - HG3 LYS 44 OK 11 100 - 11 - 3965=1 HD2 LYS 39 - HG3 LYS 44 OK 11 100 - 11 - 3965=1 HG3 LYS 39 - HG2 LYS 96 OK 11 99 - 11 - 7476/5.1=2, 3598/5.0=2 HD2 LYS 20 - HG2 LYS 96 OK 11 76 - 14 - 1.8/6135=1 HD3 LYS 39 - HG2 LYS 96 OK 10 100 - 10 - HD2 LYS 39 - HG2 LYS 96 OK 10 99 - 10 - HD3 LYS 20 - HG2 LYS 96 OK 10 73 - 14 - 1.8/6135=1 HD2 LYS 73 - HG2 LYS 96 poor 9 65 - 14 - 1.8/6125=1 HD3 LYS 73 - HG2 LYS 96 poor 9 61 - 14 - 1.8/6135=1 HG3 LYS 39 - HG3 LYS 44 lone 9 99 - 9 - HG3 LYS 123 - HG3 LYS 44 lone 8 99 - 9 - HD3 LYS 43 - HG2 LYS 96 poor 7 61 - 12 - HD3 LYS 43 - HG3 LYS 44 lone 5 61 - 8 - HD2 LYS 73 - HG3 LYS 44 lone 5 65 - 8 - HD3 LYS 73 - HG3 LYS 44 lone 5 61 - 8 - HG3 LYS 123 - HG2 LYS 96 lone 3 99 - 3 - HG12 ILE 71 - HG2 LYS 96 lone 3 93 - 3 - HD3 LYS 16 - HG2 LYS 96 lone 3 80 - 3 - HD2 LYS 20 - HG3 LYS 44 lone 3 77 - 3 - HD3 LYS 20 - HG3 LYS 44 lone 2 73 - 3 - HD2 LYS 16 - HG2 LYS 96 lone 2 69 - 3 - HD3 LYS 16 - HG3 LYS 44 lone 2 81 - 2 - HD2 LYS 16 - HG3 LYS 44 lone 1 70 - 2 - HG12 ILE 71 - HG3 LYS 44 lone 1 94 - 1 - HB ILE 56 - HG2 LYS 96 lone 1 80 - 1 - HG LEU 74 - HG3 LYS 44 lone 0 100 - 0 - HB ILE 56 - HG3 LYS 44 lone 0 81 - 0 - HB3 LYS 106 - HG3 LYS 44 lone 0 87 - 0 - HB3 LYS 106 - HG2 LYS 96 lone 0 86 - 0 - HG LEU 74 - HG2 LYS 96 lone 0 100 - 0 - HB2 LYS 106 - HG3 LYS 44 lone 0 81 - 0 - HB2 LYS 106 - HG2 LYS 96 lone 0 80 - 0 - Peak 3948 from cnoeabs.peaks (2.93, 1.44, 24.91 ppm; 3.51 A): 8 out of 18 assignments used, quality = 1.00: * HE2 LYS 44 + HG3 LYS 44 OK 96 100 - 96 - 3.7=82, 3.0/3955=8...(50) HE3 LYS 44 + HG3 LYS 44 OK 96 100 - 96 - 3.7=82, 3.0/3955=8...(50) HE3 LYS 96 + HG2 LYS 96 OK 96 100 - 96 - 3.8=79, 3.0/6107=7...(52) HE2 LYS 96 + HG2 LYS 96 OK 96 100 - 96 - 3.8=79, 3.0/6107=7...(52) HE3 LYS 44 + HG2 LYS 96 OK 64 100 - 65 - 3985=4, 6100/2.9=4...(37) HE2 LYS 44 + HG2 LYS 96 OK 64 100 - 65 - 3985=4, 6100/2.9=4...(37) HE2 LYS 96 + HG3 LYS 44 OK 53 100 - 53 - 3985=4, 3938/1.8=3...(29) HE3 LYS 96 + HG3 LYS 44 OK 53 100 - 53 - 3985=4, 3939/1.8=3...(29) HE3 LYS 65 - HG2 LYS 96 OK 11 80 - 13 - HE2 LYS 65 - HG2 LYS 96 OK 11 80 - 13 - HE3 LYS 94 - HG2 LYS 96 lone 3 83 - 3 - HE3 LYS 65 - HG3 LYS 44 lone 3 81 - 3 - HE2 LYS 65 - HG3 LYS 44 lone 3 81 - 3 - HE3 LYS 94 - HG3 LYS 44 lone 2 84 - 2 - HD3 ARG 30 - HG2 LYS 96 lone 1 99 - 1 - HD3 ARG 30 - HG3 LYS 44 lone 1 100 - 1 - HB2 ASP 86 - HG3 LYS 44 lone 1 100 - 1 - HB2 ASP 86 - HG2 LYS 96 lone 1 99 - 1 - Peak 3949 from cnoeabs.peaks (2.93, 1.44, 24.91 ppm; 3.51 A): 8 out of 18 assignments used, quality = 1.00: HE2 LYS 44 + HG3 LYS 44 OK 96 100 - 96 - 3.7=82, 3.0/3955=8...(50) * HE3 LYS 44 + HG3 LYS 44 OK 96 100 - 96 - 3.7=82, 3.0/3955=8...(50) HE3 LYS 96 + HG2 LYS 96 OK 96 100 - 96 - 3.8=79, 3.0/6107=7...(52) HE2 LYS 96 + HG2 LYS 96 OK 96 100 - 96 - 3.8=79, 3.0/6107=7...(52) HE3 LYS 44 + HG2 LYS 96 OK 64 100 - 65 - 3985=4, 6100/2.9=4...(37) HE2 LYS 44 + HG2 LYS 96 OK 64 100 - 65 - 3985=4, 6100/2.9=4...(37) HE2 LYS 96 + HG3 LYS 44 OK 53 100 - 53 - 3985=4, 3938/1.8=3...(29) HE3 LYS 96 + HG3 LYS 44 OK 53 100 - 53 - 3985=4, 3939/1.8=3...(29) HE3 LYS 65 - HG2 LYS 96 OK 11 80 - 13 - HE2 LYS 65 - HG2 LYS 96 OK 11 80 - 13 - HE3 LYS 94 - HG2 LYS 96 lone 3 83 - 3 - HE3 LYS 65 - HG3 LYS 44 lone 3 81 - 3 - HE2 LYS 65 - HG3 LYS 44 lone 3 81 - 3 - HE3 LYS 94 - HG3 LYS 44 lone 2 84 - 2 - HD3 ARG 30 - HG2 LYS 96 lone 1 99 - 1 - HD3 ARG 30 - HG3 LYS 44 lone 1 100 - 1 - HB2 ASP 86 - HG3 LYS 44 lone 1 100 - 1 - HB2 ASP 86 - HG2 LYS 96 lone 1 99 - 1 - Peak 3950 from cnoeabs.peaks (7.45, 1.70, 29.13 ppm; 4.32 A): 2 out of 6 assignments used, quality = 0.99: * H LYS 44 + HD2 LYS 44 OK 88 100 - 88 - 6.4=31, 3930/2.9=22...(25) H LYS 44 + HD3 LYS 44 OK 88 100 - 88 - 6.4=31, 3930/2.9=22...(25) H LYS 44 - HD3 LYS 39 OK 15 85 - 17 - 1289=3, 1289/1.8=2...(7) H LYS 44 - HD2 LYS 39 OK 14 83 - 17 - 1289=3, 1289/1.8=2...(7) H LYS 44 - HD3 LYS 16 lone 3 68 - 4 - H LYS 44 - HD2 LYS 16 lone 2 52 - 4 - Peak 3951 from cnoeabs.peaks (4.06, 1.70, 29.13 ppm; 3.29 A): 4 out of 48 assignments used, quality = 0.99: * HA LYS 44 + HD2 LYS 44 OK 80 100 - 80 - 5.4=23, 3905/2.9=11...(35) HA LYS 44 + HD3 LYS 44 OK 80 100 - 80 - 5.4=23, 3905/2.9=11...(35) HA LYS 96 + HD3 LYS 44 OK 53 99 - 54 - 6075/2.9=7, 6076/2.9=6...(26) HA LYS 96 + HD2 LYS 44 OK 52 99 - 53 - 6075/2.9=7, 6076/2.9=6...(26) HA LYS 96 - HD3 LYS 39 OK 20 83 - 24 - ~7475=3, ~7476=3...(12) HA LYS 96 - HD2 LYS 39 OK 19 81 - 24 - ~7475=3, ~7476=3...(12) HA LYS 44 - HD3 LYS 39 OK 13 85 - 16 - 3907=2, 3907/1.8=2, 3.0/3960=1 HA LYS 44 - HD2 LYS 39 OK 13 83 - 16 - 3907=2, 3907/1.8=2, 3.0/3960=1 HA SER 35 - HD3 LYS 39 lone 5 59 - 8 - 8033/6.2=3, 8031/3.0=2 HA SER 35 - HD2 LYS 39 lone 5 57 - 8 - 8033/6.2=3, 8031/3.0=2 HA GLU 69 - HD2 LYS 44 lone 4 98 - 4 - HA GLU 69 - HD3 LYS 44 lone 4 98 - 4 - HA LYS 96 - HD3 LYS 16 lone 3 66 - 4 - HA LYS 96 - HD2 LYS 16 lone 2 51 - 4 - HA2 GLY 125 - HD2 LYS 44 lone 2 94 - 2 - HA2 GLY 125 - HD3 LYS 44 lone 2 93 - 2 - HA3 GLY 125 - HD2 LYS 44 lone 2 100 - 2 - HA3 GLY 125 - HD3 LYS 44 lone 2 100 - 2 - HA GLU 37 - HD3 LYS 39 lone 2 84 - 2 - HA GLU 37 - HD2 LYS 39 lone 2 82 - 2 - HA GLU 91 - HD2 LYS 44 lone 2 87 - 2 - HA GLU 91 - HD3 LYS 44 lone 2 86 - 2 - HA LYS 44 - HD3 LYS 16 lone 2 68 - 2 - HA LYS 44 - HD2 LYS 16 lone 1 52 - 3 - HA GLU 37 - HD2 LYS 44 lone 1 100 - 1 - HA GLU 37 - HD3 LYS 44 lone 1 100 - 1 - HA GLU 69 - HD3 LYS 39 lone 1 80 - 1 - HA GLU 69 - HD2 LYS 39 lone 1 78 - 1 - HA SER 35 - HD2 LYS 44 lone 1 77 - 1 - HA SER 35 - HD3 LYS 44 lone 1 76 - 1 - HA GLU 37 - HD3 LYS 16 lone 0 67 - 1 - HA SER 35 - HD3 LYS 16 lone 0 45 - 1 - HA GLU 69 - HD3 LYS 16 lone 0 64 - 1 - HA3 GLY 125 - HD3 LYS 39 lone 0 84 - 0 - HA GLU 91 - HD3 LYS 39 lone 0 68 - 1 - HA3 GLY 125 - HD2 LYS 39 lone 0 82 - 0 - HA GLU 91 - HD2 LYS 39 lone 0 66 - 1 - HA2 GLY 125 - HD3 LYS 39 lone 0 75 - 1 - HA2 GLY 125 - HD2 LYS 39 lone 0 73 - 1 - HA GLU 37 - HD2 LYS 16 lone 0 52 - 1 - HA SER 35 - HD2 LYS 16 lone 0 34 - 1 - HA GLU 69 - HD2 LYS 16 lone 0 49 - 1 - HA GLU 91 - HD3 LYS 16 lone 0 52 - 1 - HA3 GLY 125 - HD3 LYS 16 lone 0 67 - 0 - HA2 GLY 125 - HD3 LYS 16 lone 0 59 - 0 - HA GLU 91 - HD2 LYS 16 lone 0 40 - 1 - HA3 GLY 125 - HD2 LYS 16 lone 0 52 - 0 - HA2 GLY 125 - HD2 LYS 16 lone 0 45 - 0 - Peak 3952 from cnoeabs.peaks (1.91, 1.70, 29.13 ppm; 2.63 A): 4 out of 114 assignments used, quality = 1.00: HB2 LYS 44 + HD3 LYS 44 OK 77 100 - 77 - 3.7=37, 2.9/3954=6...(39) * HB2 LYS 44 + HD2 LYS 44 OK 77 100 - 77 - 3.7=37, 2.9/3954=6...(39) HB3 LYS 44 + HD3 LYS 44 OK 75 98 - 77 - 3.7=37, 2.9/3954=6...(38) HB3 LYS 44 + HD2 LYS 44 OK 75 99 - 76 - 3.7=37, 2.9/3954=6...(38) HB2 LYS 96 - HD3 LYS 44 OK 37 91 - 41 - 2.9/3964=2, 2.9/3955=2...(15) HB2 LYS 96 - HD2 LYS 44 OK 37 92 - 41 - 2.9/3954=2, 2.9/3955=2...(15) HB2 LYS 43 - HD3 LYS 44 OK 10 99 - 10 - 4.7/3950=3 HB2 LYS 43 - HD2 LYS 44 OK 10 99 - 10 - 4.7/3950=3 HB3 LYS 123 - HD3 LYS 44 OK 10 99 - 10 - HB3 LYS 123 - HD2 LYS 44 poor 10 100 - 10 - HB3 LYS 43 - HD2 LYS 44 lone 9 92 - 10 - 4.7/3950=3 HB3 LYS 43 - HD3 LYS 44 poor 9 91 - 10 - 4.7/3950=3 HB2 LYS 44 - HD3 LYS 39 poor 9 85 - 10 - HB2 LYS 44 - HD2 LYS 39 poor 9 83 - 10 - HB3 LYS 44 - HD3 LYS 39 poor 8 82 - 10 - HB3 LYS 44 - HD2 LYS 39 poor 8 80 - 10 - HB2 LYS 96 - HD3 LYS 39 lone 7 73 - 9 - HB2 LYS 96 - HD2 LYS 39 lone 6 71 - 9 - HB3 LYS 123 - HD3 LYS 39 lone 6 84 - 7 - HB3 LYS 123 - HD2 LYS 39 lone 5 82 - 7 - HB2 LEU 45 - HD2 LYS 44 lone 3 97 - 3 - 4.0/268=1 HB2 LEU 45 - HD3 LYS 44 lone 3 96 - 3 - 4.0/268=1 HB3 LYS 123 - HD3 LYS 16 lone 3 67 - 4 - HB3 LYS 17 - HD3 LYS 16 lone 3 55 - 5 - 4.0/89=1 HB2 LYS 43 - HD3 LYS 39 lone 3 83 - 3 - HB2 LYS 43 - HD2 LYS 39 lone 3 81 - 3 - HB2 LYS 73 - HD3 LYS 44 lone 3 73 - 4 - HB2 LYS 73 - HD2 LYS 44 lone 3 73 - 3 - HB ILE 15 - HD3 LYS 16 lone 2 66 - 4 - 7360/6.1=3 HB3 LYS 73 - HD3 LYS 44 lone 2 69 - 3 - HB3 LYS 73 - HD2 LYS 44 lone 2 70 - 3 - HB3 LYS 123 - HD2 LYS 16 lone 2 52 - 4 - HB3 LYS 43 - HD3 LYS 39 lone 2 73 - 3 - HB3 LYS 17 - HD2 LYS 16 lone 2 42 - 5 - 4.0/89=1 HB3 LYS 43 - HD2 LYS 39 lone 2 71 - 3 - HB ILE 15 - HD2 LYS 16 lone 2 51 - 4 - 7360/6.1=3 HB2 ARG 95 - HD3 LYS 44 lone 2 80 - 2 - HB2 LYS 73 - HD3 LYS 39 lone 2 55 - 3 - HB2 ARG 95 - HD2 LYS 44 lone 2 81 - 2 - HB2 LYS 73 - HD2 LYS 39 lone 2 54 - 3 - HB2 LYS 96 - HD3 LYS 16 lone 2 57 - 3 - HB3 LYS 73 - HD3 LYS 39 lone 1 52 - 3 - HB2 LYS 73 - HD3 LYS 16 lone 1 42 - 3 - HB3 LYS 73 - HD2 LYS 39 lone 1 51 - 3 - HB2 LYS 115 - HD3 LYS 16 lone 1 40 - 3 - HB3 LYS 73 - HD3 LYS 16 lone 1 40 - 3 - HB2 LYS 44 - HD3 LYS 16 lone 1 68 - 2 - HB2 LYS 96 - HD2 LYS 16 lone 1 43 - 3 - HB2 LEU 81 - HD3 LYS 39 lone 1 77 - 1 - HB2 LEU 81 - HD2 LYS 39 lone 1 75 - 1 - HB3 LYS 44 - HD3 LYS 16 lone 1 65 - 2 - HB2 LYS 73 - HD2 LYS 16 lone 1 32 - 3 - HB2 LYS 115 - HD2 LYS 16 lone 1 30 - 3 - HB ILE 71 - HD2 LYS 44 lone 1 77 - 1 - HB ILE 71 - HD3 LYS 44 lone 1 76 - 1 - HB2 LYS 44 - HD2 LYS 16 lone 1 52 - 2 - HB3 LYS 73 - HD2 LYS 16 lone 1 30 - 3 - HB2 LYS 43 - HD3 LYS 16 lone 1 66 - 1 - HB3 LYS 44 - HD2 LYS 16 lone 1 50 - 2 - HB2 ARG 95 - HD3 LYS 39 lone 1 62 - 1 - HB3 LYS 43 - HD3 LYS 16 lone 1 57 - 1 - HB2 ARG 95 - HD2 LYS 39 lone 1 60 - 1 - HB ILE 71 - HD3 LYS 39 lone 1 59 - 1 - HB ILE 71 - HD2 LYS 39 lone 1 57 - 1 - HB2 LYS 43 - HD2 LYS 16 lone 1 51 - 1 - HB2 LEU 45 - HD3 LYS 39 lone 1 79 - 1 - HB2 LEU 45 - HD2 LYS 39 lone 1 77 - 1 - HB2 ARG 95 - HD3 LYS 16 lone 1 48 - 1 - HB3 LYS 43 - HD2 LYS 16 lone 0 43 - 1 - HB ILE 15 - HD2 LYS 44 lone 0 99 - 0 - HB ILE 15 - HD3 LYS 44 lone 0 99 - 0 - HB3 LYS 17 - HD2 LYS 44 lone 0 90 - 0 - HB3 LYS 17 - HD3 LYS 44 lone 0 89 - 0 - HB2 GLU 128 - HD2 LYS 44 lone 0 92 - 0 - HB2 GLU 128 - HD3 LYS 44 lone 0 91 - 0 - HB2 ARG 95 - HD2 LYS 16 lone 0 36 - 1 - HB2 LEU 45 - HD3 LYS 16 lone 0 62 - 1 - HB2 LYS 115 - HD3 LYS 39 lone 0 52 - 1 - HB2 LYS 115 - HD2 LYS 44 lone 0 70 - 1 - HB2 LYS 115 - HD3 LYS 44 lone 0 69 - 1 - HB2 LYS 115 - HD2 LYS 39 lone 0 51 - 1 - HB ILE 71 - HD3 LYS 16 lone 0 45 - 1 - HG2 MET 121 - HD2 LYS 44 lone 0 98 - 0 - HG2 MET 121 - HD3 LYS 44 lone 0 98 - 0 - HB2 LEU 81 - HD2 LYS 44 lone 0 96 - 0 - HB2 LEU 81 - HD3 LYS 44 lone 0 95 - 0 - HB ILE 15 - HD3 LYS 39 lone 0 83 - 0 - HB ILE 15 - HD2 LYS 39 lone 0 81 - 0 - HB2 LYS 49 - HD2 LYS 44 lone 0 87 - 0 - HB2 LYS 49 - HD3 LYS 44 lone 0 86 - 0 - HB2 LYS 49 - HD3 LYS 39 lone 0 68 - 0 - HB2 LEU 45 - HD2 LYS 16 lone 0 48 - 1 - HB2 LYS 49 - HD2 LYS 39 lone 0 66 - 0 - HG2 MET 121 - HD3 LYS 39 lone 0 80 - 0 - HG2 MET 121 - HD2 LYS 39 lone 0 78 - 0 - HB ILE 71 - HD2 LYS 16 lone 0 34 - 1 - HB ILE 7 - HD3 LYS 39 lone 0 46 - 1 - HB ILE 7 - HD2 LYS 39 lone 0 44 - 1 - HB3 LYS 17 - HD3 LYS 39 lone 0 70 - 0 - HB2 GLU 128 - HD3 LYS 39 lone 0 73 - 0 - HB2 LEU 81 - HD3 LYS 16 lone 0 61 - 0 - HB3 LYS 17 - HD2 LYS 39 lone 0 68 - 0 - HB2 GLU 128 - HD2 LYS 39 lone 0 71 - 0 - HG2 MET 121 - HD3 LYS 16 lone 0 64 - 0 - HB ILE 7 - HD2 LYS 44 lone 0 61 - 0 - HB ILE 7 - HD3 LYS 44 lone 0 61 - 0 - HB2 GLU 128 - HD3 LYS 16 lone 0 57 - 0 - HB2 LEU 81 - HD2 LYS 16 lone 0 47 - 0 - HG2 MET 121 - HD2 LYS 16 lone 0 49 - 0 - HB2 LYS 49 - HD3 LYS 16 lone 0 52 - 0 - HB2 GLU 128 - HD2 LYS 16 lone 0 43 - 0 - HB2 LYS 49 - HD2 LYS 16 lone 0 40 - 0 - HB ILE 7 - HD3 LYS 16 lone 0 34 - 0 - HB ILE 7 - HD2 LYS 16 lone 0 26 - 0 - Peak 3953 from cnoeabs.peaks (1.91, 1.70, 29.13 ppm; 2.63 A): 4 out of 120 assignments used, quality = 1.00: HB3 LYS 44 + HD3 LYS 44 OK 77 100 - 77 - 3.7=37, 2.9/3954=6...(38) HB2 LYS 44 + HD3 LYS 44 OK 76 98 - 77 - 3.7=37, 2.9/3954=6...(39) * HB3 LYS 44 + HD2 LYS 44 OK 76 100 - 76 - 3.7=37, 2.9/3954=6...(38) HB2 LYS 44 + HD2 LYS 44 OK 76 99 - 77 - 3.7=37, 2.9/3954=6...(39) HB2 LYS 96 - HD3 LYS 44 OK 40 98 - 41 - 2.9/3964=2, 2.9/3955=2...(15) HB2 LYS 96 - HD2 LYS 44 OK 40 99 - 41 - 2.9/3954=2, 2.9/3955=2...(15) HB2 LYS 43 - HD3 LYS 44 OK 10 100 - 10 - 4.7/3950=3 HB2 LYS 43 - HD2 LYS 44 OK 10 100 - 10 - 4.7/3950=3 HB3 LYS 43 - HD3 LYS 44 poor 10 98 - 10 - 4.7/3950=3 HB3 LYS 43 - HD2 LYS 44 lone 10 99 - 10 - 4.7/3950=3 HB3 LYS 123 - HD2 LYS 44 poor 9 96 - 10 - HB3 LYS 123 - HD3 LYS 44 poor 9 95 - 10 - HB3 LYS 44 - HD3 LYS 39 poor 9 85 - 10 - HB2 LYS 44 - HD3 LYS 39 poor 9 82 - 10 - HB3 LYS 44 - HD2 LYS 39 poor 8 83 - 10 - HB2 LYS 44 - HD2 LYS 39 poor 8 80 - 10 - HB2 LYS 96 - HD3 LYS 39 lone 7 82 - 9 - HB2 LYS 96 - HD2 LYS 39 lone 7 80 - 9 - HB3 LYS 123 - HD3 LYS 39 lone 5 77 - 7 - HB3 LYS 123 - HD2 LYS 39 lone 5 75 - 7 - HB2 LEU 45 - HD2 LYS 44 lone 3 100 - 3 - 4.0/268=1 HB2 LEU 45 - HD3 LYS 44 lone 3 100 - 3 - 4.0/268=1 HB2 LYS 73 - HD3 LYS 44 lone 3 89 - 4 - HB2 LYS 73 - HD2 LYS 44 lone 3 90 - 4 - HB3 LYS 73 - HD3 LYS 44 lone 3 86 - 4 - HB3 LYS 73 - HD2 LYS 44 lone 3 87 - 4 - HB2 LYS 43 - HD3 LYS 39 lone 3 85 - 3 - HB3 LYS 123 - HD3 LYS 16 lone 3 61 - 4 - HB2 LYS 43 - HD2 LYS 39 lone 3 83 - 3 - HB3 LYS 43 - HD3 LYS 39 lone 3 82 - 3 - HB3 LYS 43 - HD2 LYS 39 lone 2 80 - 3 - HB3 LYS 17 - HD3 LYS 16 lone 2 42 - 5 - 4.0/89=1 HB ILE 15 - HD3 LYS 16 lone 2 59 - 3 - 7360/6.1=2 HB3 LYS 123 - HD2 LYS 16 lone 2 47 - 4 - HB2 LYS 73 - HD3 LYS 39 lone 2 70 - 3 - HB2 LYS 73 - HD2 LYS 39 lone 2 68 - 3 - HB2 ARG 95 - HD3 LYS 44 lone 2 93 - 2 - HB2 ARG 95 - HD2 LYS 44 lone 2 94 - 2 - HB3 LYS 73 - HD3 LYS 39 lone 2 68 - 3 - HB2 LYS 73 - HD3 LYS 16 lone 2 55 - 3 - HB3 LYS 73 - HD2 LYS 39 lone 2 66 - 3 - HB2 LYS 96 - HD3 LYS 16 lone 2 65 - 3 - HB3 LYS 73 - HD3 LYS 16 lone 2 52 - 3 - HB3 LYS 20 - HD3 LYS 16 lone 2 42 - 4 - HB2 LYS 20 - HD3 LYS 16 lone 2 42 - 4 - HB3 LYS 17 - HD2 LYS 16 lone 2 32 - 5 - 4.0/89=1 HB ILE 15 - HD2 LYS 16 lone 2 45 - 3 - 7360/6.1=2 HB2 LYS 73 - HD2 LYS 16 lone 1 42 - 3 - HB3 LYS 20 - HD2 LYS 44 lone 1 73 - 2 - HB2 LYS 20 - HD2 LYS 44 lone 1 73 - 2 - HB2 LYS 20 - HD3 LYS 44 lone 1 73 - 2 - HB3 LYS 20 - HD3 LYS 44 lone 1 73 - 2 - HB2 LYS 96 - HD2 LYS 16 lone 1 50 - 3 - HB2 LYS 20 - HD3 LYS 39 lone 1 55 - 2 - HB3 LYS 20 - HD3 LYS 39 lone 1 55 - 2 - HB2 LYS 20 - HD2 LYS 39 lone 1 54 - 2 - HB3 LYS 20 - HD2 LYS 39 lone 1 54 - 2 - HB3 LYS 73 - HD2 LYS 16 lone 1 40 - 3 - HB3 LYS 20 - HD2 LYS 16 lone 1 32 - 4 - HB2 LYS 20 - HD2 LYS 16 lone 1 32 - 4 - HB ILE 71 - HD2 LYS 44 lone 1 92 - 1 - HB3 LYS 44 - HD3 LYS 16 lone 1 68 - 2 - HB ILE 71 - HD3 LYS 44 lone 1 91 - 1 - HB2 LYS 44 - HD3 LYS 16 lone 1 65 - 2 - HB2 ARG 95 - HD3 LYS 39 lone 1 75 - 1 - HB2 LEU 81 - HD3 LYS 39 lone 1 65 - 1 - HB2 LYS 43 - HD3 LYS 16 lone 1 68 - 1 - HB2 ARG 95 - HD2 LYS 39 lone 1 73 - 1 - HB2 LEU 81 - HD2 LYS 39 lone 1 63 - 1 - HB3 LYS 44 - HD2 LYS 16 lone 1 52 - 2 - HB ILE 71 - HD3 LYS 39 lone 1 73 - 1 - HB2 LYS 44 - HD2 LYS 16 lone 1 50 - 2 - HB ILE 71 - HD2 LYS 39 lone 1 71 - 1 - HB3 LYS 43 - HD3 LYS 16 lone 1 65 - 1 - HB2 ARG 95 - HD3 LYS 16 lone 1 59 - 1 - HB2 LYS 43 - HD2 LYS 16 lone 1 52 - 1 - HB2 LEU 45 - HD3 LYS 39 lone 1 84 - 1 - HB2 LEU 45 - HD2 LYS 39 lone 1 82 - 1 - HB3 LYS 43 - HD2 LYS 16 lone 1 50 - 1 - HB2 ARG 95 - HD2 LYS 16 lone 1 45 - 1 - HB2 GLU 128 - HD2 LYS 44 lone 0 99 - 0 - HB2 GLU 128 - HD3 LYS 44 lone 0 98 - 0 - HB ILE 71 - HD3 LYS 16 lone 0 57 - 1 - HB ILE 15 - HD2 LYS 44 lone 0 94 - 0 - HB2 LEU 45 - HD3 LYS 16 lone 0 67 - 1 - HB ILE 15 - HD3 LYS 44 lone 0 93 - 0 - HB3 LYS 17 - HD2 LYS 44 lone 0 73 - 0 - HB3 LYS 17 - HD3 LYS 44 lone 0 73 - 0 - HB ILE 7 - HD3 LYS 39 lone 0 62 - 1 - HB2 LYS 49 - HD3 LYS 39 lone 0 79 - 0 - HB2 LYS 49 - HD2 LYS 44 lone 0 97 - 0 - HB ILE 7 - HD2 LYS 39 lone 0 60 - 1 - HB2 LYS 49 - HD3 LYS 44 lone 0 96 - 0 - HB2 LYS 49 - HD2 LYS 39 lone 0 77 - 0 - HB2 LEU 45 - HD2 LYS 16 lone 0 52 - 1 - HB ILE 71 - HD2 LYS 16 lone 0 43 - 1 - HG2 MET 121 - HD2 LYS 44 lone 0 90 - 0 - HG2 MET 121 - HD3 LYS 44 lone 0 89 - 0 - HB ILE 15 - HD3 LYS 39 lone 0 75 - 0 - HB2 LEU 81 - HD2 LYS 44 lone 0 84 - 0 - HB ILE 15 - HD2 LYS 39 lone 0 73 - 0 - HB2 LEU 81 - HD3 LYS 44 lone 0 83 - 0 - HB2 GLU 128 - HD3 LYS 39 lone 0 82 - 0 - HB ILE 7 - HD3 LYS 44 lone 0 80 - 0 - HB2 GLU 128 - HD2 LYS 39 lone 0 80 - 0 - HB ILE 7 - HD2 LYS 44 lone 0 81 - 0 - HG2 MET 121 - HD3 LYS 39 lone 0 70 - 0 - HG2 MET 121 - HD2 LYS 39 lone 0 68 - 0 - HB2 GLU 128 - HD3 LYS 16 lone 0 65 - 0 - HB2 LEU 81 - HD3 LYS 16 lone 0 50 - 0 - HB3 LYS 17 - HD3 LYS 39 lone 0 55 - 0 - HB2 LYS 49 - HD3 LYS 16 lone 0 62 - 0 - HB3 LYS 17 - HD2 LYS 39 lone 0 54 - 0 - HG2 MET 121 - HD3 LYS 16 lone 0 55 - 0 - HB2 GLU 128 - HD2 LYS 16 lone 0 50 - 0 - HB2 LEU 81 - HD2 LYS 16 lone 0 38 - 0 - HB2 LYS 49 - HD2 LYS 16 lone 0 48 - 0 - HG2 MET 121 - HD2 LYS 16 lone 0 42 - 0 - HB ILE 7 - HD3 LYS 16 lone 0 48 - 0 - HB ILE 7 - HD2 LYS 16 lone 0 36 - 0 - Peak 3954 from cnoeabs.peaks (1.58, 1.70, 29.13 ppm; 2.40 A): 2 out of 72 assignments used, quality = 0.94: HG2 LYS 44 + HD3 LYS 44 OK 76 100 - 77 - 2.9=54, 1.8/3955=6...(16) * HG2 LYS 44 + HD2 LYS 44 OK 76 100 - 76 - 2.9=54, 1.8/3955=6...(15) HG3 LYS 96 - HD2 LYS 44 OK 29 87 - 34 - 1.8/3955=3, 3937=3...(11) HG3 LYS 96 - HD3 LYS 44 OK 29 86 - 34 - 1.8/3955=3, 3937=3...(11) HG2 LYS 123 - HD2 LYS 44 lone 9 97 - 9 - 2.9/7122=1, 2.9/7132=1 HG2 LYS 123 - HD3 LYS 44 lone 9 96 - 9 - 2.9/7122=1, 2.9/7132=1 HG2 LYS 44 - HD3 LYS 39 lone 7 85 - 8 - HG2 LYS 44 - HD2 LYS 39 lone 6 83 - 8 - HG2 LYS 123 - HD3 LYS 39 lone 5 79 - 6 - 2.9/7132=1 HG2 LYS 123 - HD2 LYS 39 lone 5 77 - 6 - 2.9/7132=1 HG3 LYS 96 - HD3 LYS 39 lone 5 68 - 7 - HG3 LYS 96 - HD2 LYS 39 lone 4 66 - 7 - HG2 LYS 73 - HD3 LYS 44 lone 2 76 - 3 - HG2 LYS 73 - HD2 LYS 44 lone 2 77 - 3 - HG2 LYS 123 - HD3 LYS 16 lone 1 62 - 2 - HG2 LYS 73 - HD3 LYS 39 lone 1 59 - 2 - HG2 LYS 73 - HD2 LYS 39 lone 1 57 - 2 - HG2 LYS 73 - HD3 LYS 16 lone 1 45 - 3 - HG3 LYS 96 - HD3 LYS 16 lone 1 52 - 2 - HG2 LYS 123 - HD2 LYS 16 lone 1 48 - 2 - HD3 LYS 19 - HD3 LYS 16 lone 1 52 - 2 - 11220/5.2=1 HD2 LYS 19 - HD3 LYS 16 lone 1 52 - 2 - 11220/5.2=1 HG2 LYS 44 - HD3 LYS 16 lone 1 68 - 1 - HG2 LYS 73 - HD2 LYS 16 lone 1 34 - 2 - HG3 LYS 96 - HD2 LYS 16 lone 1 40 - 2 - HD2 LYS 19 - HD2 LYS 16 lone 1 40 - 2 - 11220/5.2=1 HD3 LYS 19 - HD2 LYS 16 lone 1 40 - 2 - 11220/5.2=1 HG2 LYS 44 - HD2 LYS 16 lone 1 52 - 1 - HG3 LYS 19 - HD3 LYS 16 lone 1 48 - 1 - HB3 LEU 70 - HD2 LYS 44 lone 1 87 - 1 - HG LEU 68 - HD2 LYS 44 lone 1 98 - 1 - HG LEU 68 - HD3 LYS 44 lone 1 98 - 1 - HB3 LEU 70 - HD3 LYS 44 lone 1 86 - 1 - HG3 LYS 19 - HD2 LYS 16 lone 0 36 - 1 - HG LEU 68 - HD3 LYS 16 lone 0 64 - 1 - HD2 LYS 19 - HD3 LYS 39 lone 0 68 - 0 - HD3 LYS 19 - HD3 LYS 39 lone 0 68 - 0 - HD3 LYS 19 - HD2 LYS 39 lone 0 66 - 0 - HD2 LYS 19 - HD2 LYS 39 lone 0 66 - 0 - HG12 ILE 116 - HD3 LYS 44 lone 0 100 - 0 - HG12 ILE 116 - HD2 LYS 44 lone 0 100 - 0 - HG LEU 82 - HD3 LYS 39 lone 0 55 - 0 - HG LEU 82 - HD2 LYS 39 lone 0 54 - 0 - HG LEU 68 - HD2 LYS 16 lone 0 49 - 1 - HB3 LEU 70 - HD3 LYS 39 lone 0 68 - 0 - HG LEU 68 - HD3 LYS 39 lone 0 80 - 0 - HB3 LEU 70 - HD2 LYS 39 lone 0 66 - 0 - HG LEU 68 - HD2 LYS 39 lone 0 78 - 0 - HG LEU 82 - HD2 LYS 44 lone 0 73 - 0 - HG LEU 82 - HD3 LYS 44 lone 0 73 - 0 - HG12 ILE 116 - HD3 LYS 16 lone 0 67 - 0 - HD3 LYS 19 - HD2 LYS 44 lone 0 87 - 0 - HD2 LYS 19 - HD2 LYS 44 lone 0 87 - 0 - HD2 LYS 19 - HD3 LYS 44 lone 0 86 - 0 - HD3 LYS 19 - HD3 LYS 44 lone 0 86 - 0 - HG LEU 82 - HD3 LYS 16 lone 0 42 - 0 - HG3 LYS 19 - HD2 LYS 44 lone 0 81 - 0 - HG3 LYS 19 - HD3 LYS 44 lone 0 80 - 0 - HB3 LEU 70 - HD3 LYS 16 lone 0 52 - 0 - HG12 ILE 116 - HD2 LYS 16 lone 0 52 - 0 - HG12 ILE 116 - HD3 LYS 39 lone 0 84 - 0 - HG12 ILE 116 - HD2 LYS 39 lone 0 82 - 0 - HG LEU 55 - HD2 LYS 44 lone 0 73 - 0 - HG LEU 55 - HD3 LYS 44 lone 0 73 - 0 - HG LEU 82 - HD2 LYS 16 lone 0 32 - 0 - HB3 LEU 70 - HD2 LYS 16 lone 0 40 - 0 - HG3 LYS 19 - HD3 LYS 39 lone 0 62 - 0 - HG LEU 55 - HD3 LYS 39 lone 0 55 - 0 - HG3 LYS 19 - HD2 LYS 39 lone 0 60 - 0 - HG LEU 55 - HD2 LYS 39 lone 0 54 - 0 - HG LEU 55 - HD3 LYS 16 lone 0 42 - 0 - HG LEU 55 - HD2 LYS 16 lone 0 32 - 0 - Peak 3955 from cnoeabs.peaks (1.44, 1.70, 29.13 ppm; 2.64 A): 2 out of 78 assignments used, quality = 0.99: HG3 LYS 44 + HD3 LYS 44 OK 88 100 - 88 - 2.9=72, 1.8/3954=9...(26) * HG3 LYS 44 + HD2 LYS 44 OK 88 100 - 88 - 2.9=72, 1.8/3954=9...(24) HG2 LYS 96 - HD3 LYS 44 OK 43 100 - 43 - 3947=5, 1.8/3954=4...(14) HG2 LYS 96 - HD2 LYS 44 OK 43 100 - 43 - 3947=4, 1.8/3954=4...(14) HG2 LYS 39 - HD3 LYS 39 OK 37 46 - 81 - 3.0=71, 2.9/3584=3...(16) HG2 LYS 39 - HD2 LYS 39 OK 36 44 - 81 - 3.0=71, 2.9/3584=3...(16) HG3 LYS 44 - HD3 LYS 39 lone 8 85 - 10 - 3947=1 HG3 LYS 44 - HD2 LYS 39 lone 8 83 - 10 - 3947=1 HG2 LYS 96 - HD3 LYS 39 lone 7 84 - 9 - HG2 LYS 96 - HD2 LYS 39 lone 7 82 - 9 - HG2 LYS 39 - HD2 LYS 44 lone 4 61 - 7 - HG2 LYS 39 - HD3 LYS 44 lone 4 61 - 7 - HG3 LYS 17 - HD3 LYS 16 lone 3 59 - 4 - HG2 LYS 96 - HD3 LYS 16 lone 2 67 - 3 - HG3 LYS 17 - HD2 LYS 16 lone 2 45 - 4 - HG2 LYS 96 - HD2 LYS 16 lone 2 52 - 3 - HG3 LYS 44 - HD3 LYS 16 lone 1 68 - 2 - HB3 LEU 4 - HD3 LYS 16 lone 1 68 - 2 - HB2 LEU 4 - HD3 LYS 16 lone 1 68 - 2 - HG LEU 80 - HD3 LYS 39 lone 1 84 - 1 - HG LEU 80 - HD2 LYS 39 lone 1 82 - 1 - HG3 LYS 44 - HD2 LYS 16 lone 1 52 - 2 - HB2 LEU 4 - HD2 LYS 16 lone 1 52 - 2 - HB3 LEU 4 - HD2 LYS 16 lone 1 52 - 2 - HG LEU 4 - HD3 LYS 16 lone 1 50 - 2 - HG LEU 4 - HD2 LYS 16 lone 1 38 - 2 - HG2 LYS 39 - HD3 LYS 16 lone 1 34 - 2 - HG3 LYS 17 - HD2 LYS 44 lone 1 94 - 1 - HG3 LYS 17 - HD3 LYS 44 lone 1 93 - 1 - HB3 LEU 63 - HD3 LYS 44 lone 1 86 - 1 - HB3 LEU 63 - HD2 LYS 44 lone 1 87 - 1 - HG12 ILE 56 - HD2 LYS 44 lone 0 90 - 0 - HG12 ILE 56 - HD3 LYS 44 lone 0 89 - 0 - HB2 LEU 4 - HD3 LYS 44 lone 0 100 - 0 - HB3 LEU 4 - HD3 LYS 44 lone 0 100 - 0 - HB2 LEU 4 - HD2 LYS 44 lone 0 100 - 0 - HB3 LEU 4 - HD2 LYS 44 lone 0 100 - 0 - HG2 LYS 39 - HD2 LYS 16 lone 0 26 - 2 - HB3 LEU 63 - HD3 LYS 39 lone 0 68 - 1 - HB3 LEU 63 - HD2 LYS 39 lone 0 66 - 1 - HG LEU 80 - HD2 LYS 44 lone 0 100 - 0 - HG LEU 80 - HD3 LYS 44 lone 0 99 - 0 - HG3 ARG 30 - HD2 LYS 44 lone 0 81 - 0 - HG3 ARG 30 - HD3 LYS 44 lone 0 80 - 0 - HB3 LYS 61 - HD2 LYS 44 lone 0 98 - 0 - HG3 LYS 17 - HD3 LYS 39 lone 0 75 - 0 - HB3 LYS 61 - HD3 LYS 44 lone 0 98 - 0 - HG3 LYS 17 - HD2 LYS 39 lone 0 73 - 0 - HG LEU 4 - HD2 LYS 44 lone 0 84 - 0 - HG LEU 4 - HD3 LYS 44 lone 0 83 - 0 - HB3 LEU 63 - HD3 LYS 16 lone 0 52 - 0 - HB2 LEU 4 - HD3 LYS 39 lone 0 85 - 0 - HB3 LEU 4 - HD3 LYS 39 lone 0 85 - 0 - HB2 LEU 4 - HD2 LYS 39 lone 0 83 - 0 - HB3 LEU 4 - HD2 LYS 39 lone 0 83 - 0 - HG LEU 80 - HD3 LYS 16 lone 0 67 - 0 - HG12 ILE 56 - HD3 LYS 16 lone 0 55 - 0 - HG12 ILE 56 - HD3 LYS 39 lone 0 70 - 0 - HB3 LYS 61 - HD3 LYS 39 lone 0 80 - 0 - HG12 ILE 56 - HD2 LYS 39 lone 0 68 - 0 - HB3 LEU 63 - HD2 LYS 16 lone 0 40 - 0 - HB3 LYS 61 - HD2 LYS 39 lone 0 78 - 0 - HG LEU 4 - HD3 LYS 39 lone 0 65 - 0 - HB3 LYS 61 - HD3 LYS 16 lone 0 64 - 0 - HB3 GLN 83 - HD2 LYS 44 lone 0 65 - 0 - HG LEU 4 - HD2 LYS 39 lone 0 63 - 0 - HB3 GLN 83 - HD3 LYS 44 lone 0 65 - 0 - HG LEU 80 - HD2 LYS 16 lone 0 52 - 0 - HG3 ARG 30 - HD3 LYS 39 lone 0 62 - 0 - HG12 ILE 56 - HD2 LYS 16 lone 0 42 - 0 - HG3 ARG 30 - HD2 LYS 39 lone 0 60 - 0 - HB3 LYS 61 - HD2 LYS 16 lone 0 49 - 0 - HB3 GLN 83 - HD3 LYS 39 lone 0 49 - 0 - HB3 GLN 83 - HD2 LYS 39 lone 0 47 - 0 - HG3 ARG 30 - HD3 LYS 16 lone 0 48 - 0 - HB3 GLN 83 - HD3 LYS 16 lone 0 37 - 0 - HG3 ARG 30 - HD2 LYS 16 lone 0 36 - 0 - HB3 GLN 83 - HD2 LYS 16 lone 0 28 - 0 - Peak 3956 from cnoeabs.peaks (1.70, 1.70, 29.13 ppm; diagonal): 5 out of 6 assignments used, quality = 1.00: * HD2 LYS 44 + HD2 LYS 44 OK 100 100 - 100 HD3 LYS 44 + HD3 LYS 44 OK 100 100 - 100 HD3 LYS 39 + HD3 LYS 39 OK 83 83 - 100 HD2 LYS 39 + HD2 LYS 39 OK 80 80 - 100 HD3 LYS 16 + HD3 LYS 16 OK 52 52 - 100 HD2 LYS 16 - HD2 LYS 16 OK 34 34 - 100 Peak 3957 from cnoeabs.peaks (1.70, 1.70, 29.13 ppm; diagonal): 5 out of 6 assignments used, quality = 1.00: HD2 LYS 44 + HD2 LYS 44 OK 100 100 - 100 HD3 LYS 44 + HD3 LYS 44 OK 100 100 - 100 HD3 LYS 39 + HD3 LYS 39 OK 84 84 - 100 HD2 LYS 39 + HD2 LYS 39 OK 82 82 - 100 HD3 LYS 16 + HD3 LYS 16 OK 48 48 - 100 HD2 LYS 16 - HD2 LYS 16 OK 30 30 - 100 Reference assignment not found: HD3 LYS 44 - HD2 LYS 44 Peak 3958 from cnoeabs.peaks (2.93, 1.70, 29.13 ppm; 2.72 A): 4 out of 54 assignments used, quality = 1.00: HE3 LYS 44 + HD3 LYS 44 OK 88 100 - 88 - 3.0=77, 1.8/3987=5...(37) HE2 LYS 44 + HD3 LYS 44 OK 88 100 - 88 - 3.0=77, 1.8/3987=5...(37) * HE2 LYS 44 + HD2 LYS 44 OK 88 100 - 88 - 3.0=77, 1.8/3987=5...(35) HE3 LYS 44 + HD2 LYS 44 OK 88 100 - 88 - 3.0=77, 1.8/3987=5...(35) HE3 LYS 96 - HD2 LYS 44 OK 29 100 - 29 - 3987=2, 3.8/3954=2...(7) HE2 LYS 96 - HD2 LYS 44 OK 29 100 - 29 - 3987=2, 3.8/3954=2...(7) HE3 LYS 96 - HD3 LYS 44 OK 29 100 - 29 - 3977=2, 3.8/3964=2...(7) HE2 LYS 96 - HD3 LYS 44 OK 29 100 - 29 - 3977=2, 3.8/3964=2...(7) HE2 LYS 44 - HD3 LYS 39 lone 4 85 - 4 - HE3 LYS 44 - HD3 LYS 39 lone 4 85 - 4 - HE3 LYS 44 - HD2 LYS 39 lone 4 83 - 4 - HE2 LYS 44 - HD2 LYS 39 lone 4 83 - 4 - HE2 LYS 96 - HD3 LYS 39 lone 2 85 - 3 - HE3 LYS 96 - HD3 LYS 39 lone 2 85 - 3 - HE3 LYS 96 - HD2 LYS 39 lone 2 83 - 3 - HE2 LYS 96 - HD2 LYS 39 lone 2 83 - 3 - HE2 LYS 65 - HD3 LYS 44 lone 1 80 - 1 - HE3 LYS 65 - HD3 LYS 44 lone 1 80 - 1 - HE3 LYS 65 - HD2 LYS 44 lone 1 81 - 1 - HE2 LYS 65 - HD2 LYS 44 lone 1 81 - 1 - HE3 LYS 94 - HD2 LYS 44 lone 1 84 - 1 - HE3 LYS 94 - HD3 LYS 44 lone 1 83 - 1 - HE3 LYS 65 - HD3 LYS 16 lone 1 48 - 2 - HE2 LYS 65 - HD3 LYS 16 lone 1 48 - 2 - HE2 LYS 96 - HD3 LYS 16 lone 1 68 - 1 - HE3 LYS 96 - HD3 LYS 16 lone 1 68 - 1 - HE2 LYS 65 - HD2 LYS 16 lone 1 36 - 2 - HE3 LYS 65 - HD2 LYS 16 lone 1 36 - 2 - HE2 LYS 44 - HD3 LYS 16 lone 1 68 - 1 - HE3 LYS 44 - HD3 LYS 16 lone 1 68 - 1 - HE3 LYS 96 - HD2 LYS 16 lone 0 52 - 1 - HE2 LYS 96 - HD2 LYS 16 lone 0 52 - 1 - HE2 LYS 44 - HD2 LYS 16 lone 0 52 - 1 - HE3 LYS 44 - HD2 LYS 16 lone 0 52 - 1 - HD3 ARG 30 - HD2 LYS 44 lone 0 100 - 0 - HD3 ARG 30 - HD3 LYS 44 lone 0 99 - 0 - HE3 LYS 94 - HD3 LYS 39 lone 0 65 - 1 - HE3 LYS 94 - HD2 LYS 39 lone 0 63 - 1 - HB2 ASP 86 - HD2 LYS 44 lone 0 100 - 0 - HB2 ASP 86 - HD3 LYS 44 lone 0 99 - 0 - HE2 LYS 65 - HD3 LYS 39 lone 0 62 - 0 - HE3 LYS 65 - HD3 LYS 39 lone 0 62 - 0 - HE3 LYS 65 - HD2 LYS 39 lone 0 60 - 0 - HE2 LYS 65 - HD2 LYS 39 lone 0 60 - 0 - HD3 ARG 30 - HD3 LYS 39 lone 0 84 - 0 - HD3 ARG 30 - HD2 LYS 39 lone 0 82 - 0 - HB2 ASP 86 - HD3 LYS 39 lone 0 84 - 0 - HB2 ASP 86 - HD2 LYS 39 lone 0 82 - 0 - HE3 LYS 94 - HD3 LYS 16 lone 0 50 - 0 - HD3 ARG 30 - HD3 LYS 16 lone 0 67 - 0 - HB2 ASP 86 - HD3 LYS 16 lone 0 67 - 0 - HE3 LYS 94 - HD2 LYS 16 lone 0 38 - 0 - HD3 ARG 30 - HD2 LYS 16 lone 0 52 - 0 - HB2 ASP 86 - HD2 LYS 16 lone 0 52 - 0 - Peak 3959 from cnoeabs.peaks (2.93, 1.70, 29.13 ppm; 2.72 A): 4 out of 54 assignments used, quality = 1.00: HE3 LYS 44 + HD3 LYS 44 OK 88 100 - 88 - 3.0=77, 1.8/3987=5...(37) HE2 LYS 44 + HD3 LYS 44 OK 88 100 - 88 - 3.0=77, 1.8/3987=5...(37) HE2 LYS 44 + HD2 LYS 44 OK 88 100 - 88 - 3.0=77, 1.8/3987=5...(35) * HE3 LYS 44 + HD2 LYS 44 OK 88 100 - 88 - 3.0=77, 1.8/3987=5...(35) HE3 LYS 96 - HD2 LYS 44 OK 29 100 - 29 - 3987=2, 3.8/3954=2...(7) HE2 LYS 96 - HD2 LYS 44 OK 29 100 - 29 - 3987=2, 3.8/3954=2...(7) HE3 LYS 96 - HD3 LYS 44 OK 29 100 - 29 - 3977=2, 3.8/3964=2...(7) HE2 LYS 96 - HD3 LYS 44 OK 29 100 - 29 - 3977=2, 3.8/3964=2...(7) HE2 LYS 44 - HD3 LYS 39 lone 4 85 - 4 - HE3 LYS 44 - HD3 LYS 39 lone 4 85 - 4 - HE3 LYS 44 - HD2 LYS 39 lone 4 83 - 4 - HE2 LYS 44 - HD2 LYS 39 lone 4 83 - 4 - HE2 LYS 96 - HD3 LYS 39 lone 2 85 - 3 - HE3 LYS 96 - HD3 LYS 39 lone 2 85 - 3 - HE3 LYS 96 - HD2 LYS 39 lone 2 83 - 3 - HE2 LYS 96 - HD2 LYS 39 lone 2 83 - 3 - HE2 LYS 65 - HD3 LYS 44 lone 1 80 - 1 - HE3 LYS 65 - HD3 LYS 44 lone 1 80 - 1 - HE3 LYS 65 - HD2 LYS 44 lone 1 81 - 1 - HE2 LYS 65 - HD2 LYS 44 lone 1 81 - 1 - HE3 LYS 94 - HD2 LYS 44 lone 1 84 - 1 - HE3 LYS 94 - HD3 LYS 44 lone 1 83 - 1 - HE3 LYS 65 - HD3 LYS 16 lone 1 48 - 2 - HE2 LYS 65 - HD3 LYS 16 lone 1 48 - 2 - HE2 LYS 96 - HD3 LYS 16 lone 1 68 - 1 - HE3 LYS 96 - HD3 LYS 16 lone 1 68 - 1 - HE2 LYS 65 - HD2 LYS 16 lone 1 36 - 2 - HE3 LYS 65 - HD2 LYS 16 lone 1 36 - 2 - HE2 LYS 44 - HD3 LYS 16 lone 1 68 - 1 - HE3 LYS 44 - HD3 LYS 16 lone 1 68 - 1 - HE3 LYS 96 - HD2 LYS 16 lone 0 52 - 1 - HE2 LYS 96 - HD2 LYS 16 lone 0 52 - 1 - HE2 LYS 44 - HD2 LYS 16 lone 0 52 - 1 - HE3 LYS 44 - HD2 LYS 16 lone 0 52 - 1 - HD3 ARG 30 - HD2 LYS 44 lone 0 100 - 0 - HD3 ARG 30 - HD3 LYS 44 lone 0 99 - 0 - HE3 LYS 94 - HD3 LYS 39 lone 0 65 - 1 - HE3 LYS 94 - HD2 LYS 39 lone 0 63 - 1 - HB2 ASP 86 - HD2 LYS 44 lone 0 100 - 0 - HB2 ASP 86 - HD3 LYS 44 lone 0 99 - 0 - HE2 LYS 65 - HD3 LYS 39 lone 0 62 - 0 - HE3 LYS 65 - HD3 LYS 39 lone 0 62 - 0 - HE3 LYS 65 - HD2 LYS 39 lone 0 60 - 0 - HE2 LYS 65 - HD2 LYS 39 lone 0 60 - 0 - HD3 ARG 30 - HD3 LYS 39 lone 0 84 - 0 - HD3 ARG 30 - HD2 LYS 39 lone 0 82 - 0 - HB2 ASP 86 - HD3 LYS 39 lone 0 84 - 0 - HB2 ASP 86 - HD2 LYS 39 lone 0 82 - 0 - HE3 LYS 94 - HD3 LYS 16 lone 0 50 - 0 - HD3 ARG 30 - HD3 LYS 16 lone 0 67 - 0 - HB2 ASP 86 - HD3 LYS 16 lone 0 67 - 0 - HE3 LYS 94 - HD2 LYS 16 lone 0 38 - 0 - HD3 ARG 30 - HD2 LYS 16 lone 0 52 - 0 - HB2 ASP 86 - HD2 LYS 16 lone 0 52 - 0 - Peak 3960 from cnoeabs.peaks (7.45, 1.70, 29.13 ppm; 4.37 A): 2 out of 5 assignments used, quality = 0.99: * H LYS 44 + HD3 LYS 44 OK 89 100 - 89 - 6.4=32, 3930/2.9=23...(25) H LYS 44 + HD2 LYS 44 OK 89 100 - 89 - 6.4=32, 3930/2.9=23...(25) H LYS 44 - HD3 LYS 39 OK 15 87 - 18 - 1289=3, 1289/1.8=2...(7) H LYS 44 - HD2 LYS 39 OK 15 86 - 18 - 1289=3, 1289/1.8=2...(7) H LYS 44 - HD3 LYS 16 lone 2 58 - 4 - Peak 3961 from cnoeabs.peaks (4.06, 1.70, 29.13 ppm; 3.32 A): 4 out of 40 assignments used, quality = 0.99: * HA LYS 44 + HD3 LYS 44 OK 81 100 - 81 - 5.4=24, 3905/2.9=11...(35) HA LYS 44 + HD2 LYS 44 OK 81 100 - 81 - 5.4=24, 3905/2.9=11...(35) HA LYS 96 + HD3 LYS 44 OK 54 99 - 54 - 6075/2.9=7, 6076/2.9=6...(26) HA LYS 96 + HD2 LYS 44 OK 53 99 - 53 - 6075/2.9=7, 6076/2.9=6...(26) HA LYS 96 - HD3 LYS 39 OK 21 85 - 25 - ~7475=3, ~7476=3...(12) HA LYS 96 - HD2 LYS 39 OK 21 84 - 25 - ~7475=3, ~7476=3...(12) HA LYS 44 - HD3 LYS 39 OK 14 87 - 16 - 3907=2, 3907/1.8=2, 3.0/3960=1 HA LYS 44 - HD2 LYS 39 OK 14 86 - 16 - 3907=2, 3907/1.8=2, 3.0/3960=1 HA SER 35 - HD3 LYS 39 lone 5 61 - 8 - 8033/6.2=3, 8031/3.0=2 HA SER 35 - HD2 LYS 39 lone 5 60 - 8 - 8033/6.2=3, 8031/3.0=2 HA GLU 69 - HD3 LYS 44 lone 4 98 - 4 - HA GLU 69 - HD2 LYS 44 lone 4 98 - 4 - HA LYS 96 - HD3 LYS 16 lone 2 56 - 4 - HA2 GLY 125 - HD3 LYS 44 lone 2 94 - 2 - HA2 GLY 125 - HD2 LYS 44 lone 2 93 - 2 - HA GLU 37 - HD3 LYS 39 lone 2 87 - 2 - HA GLU 37 - HD2 LYS 39 lone 2 86 - 2 - HA3 GLY 125 - HD3 LYS 44 lone 2 100 - 2 - HA3 GLY 125 - HD2 LYS 44 lone 2 100 - 2 - HA GLU 91 - HD3 LYS 44 lone 2 87 - 2 - HA GLU 91 - HD2 LYS 44 lone 2 86 - 2 - HA LYS 44 - HD3 LYS 16 lone 1 58 - 2 - HA GLU 37 - HD3 LYS 44 lone 1 100 - 1 - HA GLU 37 - HD2 LYS 44 lone 1 100 - 1 - HA GLU 69 - HD3 LYS 39 lone 1 83 - 1 - HA GLU 69 - HD2 LYS 39 lone 1 82 - 1 - HA SER 35 - HD3 LYS 44 lone 1 77 - 1 - HA SER 35 - HD2 LYS 44 lone 1 76 - 1 - HA GLU 91 - HD3 LYS 39 lone 0 70 - 1 - HA3 GLY 125 - HD3 LYS 39 lone 0 87 - 0 - HA GLU 91 - HD2 LYS 39 lone 0 69 - 1 - HA3 GLY 125 - HD2 LYS 39 lone 0 86 - 0 - HA2 GLY 125 - HD3 LYS 39 lone 0 78 - 1 - HA2 GLY 125 - HD2 LYS 39 lone 0 76 - 1 - HA GLU 37 - HD3 LYS 16 lone 0 57 - 1 - HA SER 35 - HD3 LYS 16 lone 0 38 - 1 - HA GLU 69 - HD3 LYS 16 lone 0 54 - 1 - HA GLU 91 - HD3 LYS 16 lone 0 44 - 1 - HA3 GLY 125 - HD3 LYS 16 lone 0 57 - 0 - HA2 GLY 125 - HD3 LYS 16 lone 0 50 - 0 - Peak 3962 from cnoeabs.peaks (1.91, 1.70, 29.13 ppm; 2.71 A): 4 out of 95 assignments used, quality = 1.00: * HB2 LYS 44 + HD3 LYS 44 OK 80 100 - 80 - 3.7=40, 2.9/3954=6...(44) HB2 LYS 44 + HD2 LYS 44 OK 80 100 - 80 - 3.7=40, 2.9/3954=6...(44) HB3 LYS 44 + HD3 LYS 44 OK 79 99 - 80 - 3.7=40, 2.9/3954=6...(41) HB3 LYS 44 + HD2 LYS 44 OK 78 98 - 79 - 3.7=40, 2.9/3954=6...(41) HB2 LYS 96 - HD3 LYS 44 OK 40 92 - 44 - 2.9/3964=2, 3.0/3961=2...(19) HB2 LYS 96 - HD2 LYS 44 OK 39 91 - 43 - 2.9/3954=2, 2.9/3955=2...(20) HB2 LYS 43 - HD3 LYS 44 OK 11 99 - 11 - 4.7/3950=3 HB2 LYS 43 - HD2 LYS 44 OK 11 99 - 11 - 4.7/3950=3 HB3 LYS 123 - HD3 LYS 44 OK 11 100 - 11 - HB3 LYS 123 - HD2 LYS 44 OK 11 99 - 11 - HB3 LYS 43 - HD3 LYS 44 poor 10 92 - 11 - 4.7/3950=3 HB2 LYS 44 - HD3 LYS 39 poor 10 87 - 11 - HB2 LYS 44 - HD2 LYS 39 poor 10 86 - 11 - HB3 LYS 43 - HD2 LYS 44 poor 10 91 - 11 - 4.7/3950=3 HB3 LYS 44 - HD3 LYS 39 poor 9 84 - 11 - HB3 LYS 44 - HD2 LYS 39 poor 9 83 - 11 - HB2 LYS 96 - HD3 LYS 39 lone 7 75 - 10 - HB2 LYS 96 - HD2 LYS 39 lone 7 74 - 10 - HB3 LYS 123 - HD3 LYS 39 lone 6 86 - 7 - HB3 LYS 123 - HD2 LYS 39 lone 6 85 - 7 - HB2 LEU 45 - HD3 LYS 44 lone 3 97 - 4 - 4.0/268=2 HB2 LEU 45 - HD2 LYS 44 lone 3 96 - 4 - 4.0/268=2 HB2 LYS 43 - HD3 LYS 39 lone 3 85 - 3 - HB2 LYS 43 - HD2 LYS 39 lone 3 84 - 3 - HB2 LYS 73 - HD3 LYS 44 lone 3 73 - 4 - HB3 LYS 123 - HD3 LYS 16 lone 3 57 - 5 - HB2 LYS 73 - HD2 LYS 44 lone 3 73 - 4 - HB3 LYS 73 - HD3 LYS 44 lone 3 70 - 4 - HB3 LYS 73 - HD2 LYS 44 lone 3 69 - 4 - HB3 LYS 17 - HD3 LYS 16 lone 3 46 - 6 - 4.0/89=1, ~2816=1 HB3 LYS 43 - HD3 LYS 39 lone 3 75 - 3 - HB3 LYS 43 - HD2 LYS 39 lone 2 74 - 3 - HB ILE 15 - HD3 LYS 16 lone 2 56 - 4 - 7360/6.1=3 HB2 ARG 95 - HD3 LYS 44 lone 2 81 - 2 - HB2 LYS 73 - HD3 LYS 39 lone 2 58 - 3 - HB2 LYS 73 - HD2 LYS 39 lone 2 57 - 3 - HB2 ARG 95 - HD2 LYS 44 lone 2 80 - 2 - HB3 LYS 73 - HD3 LYS 39 lone 2 54 - 3 - HB3 LYS 73 - HD2 LYS 39 lone 2 53 - 3 - HB2 LYS 96 - HD3 LYS 16 lone 1 48 - 3 - HB2 LEU 81 - HD3 LYS 39 lone 1 80 - 2 - HB2 LEU 81 - HD2 LYS 39 lone 1 79 - 2 - HB2 LYS 73 - HD3 LYS 16 lone 1 35 - 4 - HB2 LYS 115 - HD3 LYS 16 lone 1 33 - 3 - HB3 LYS 73 - HD3 LYS 16 lone 1 33 - 3 - HB2 LYS 44 - HD3 LYS 16 lone 1 58 - 2 - HB ILE 71 - HD2 LYS 44 lone 1 76 - 1 - HB ILE 71 - HD3 LYS 44 lone 1 77 - 1 - HB3 LYS 44 - HD3 LYS 16 lone 1 55 - 2 - HB2 ARG 95 - HD3 LYS 39 lone 1 64 - 1 - HB2 ARG 95 - HD2 LYS 39 lone 1 63 - 1 - HB2 LYS 43 - HD3 LYS 16 lone 1 56 - 1 - HB ILE 71 - HD3 LYS 39 lone 1 61 - 1 - HB ILE 71 - HD2 LYS 39 lone 1 60 - 1 - HB2 LEU 45 - HD3 LYS 39 lone 1 81 - 1 - HB2 LEU 45 - HD2 LYS 39 lone 1 80 - 1 - HB3 LYS 43 - HD3 LYS 16 lone 1 48 - 1 - HB ILE 15 - HD3 LYS 44 lone 0 99 - 0 - HB ILE 15 - HD2 LYS 44 lone 0 99 - 0 - HB3 LYS 17 - HD3 LYS 44 lone 0 90 - 0 - HB3 LYS 17 - HD2 LYS 44 lone 0 89 - 0 - HB2 ARG 95 - HD3 LYS 16 lone 0 40 - 1 - HB2 GLU 128 - HD3 LYS 44 lone 0 92 - 0 - HB2 LYS 115 - HD3 LYS 39 lone 0 54 - 1 - HB2 GLU 128 - HD2 LYS 44 lone 0 91 - 0 - HB2 LYS 115 - HD2 LYS 39 lone 0 53 - 1 - HB2 LYS 115 - HD3 LYS 44 lone 0 70 - 1 - HB2 LYS 115 - HD2 LYS 44 lone 0 69 - 1 - HB ILE 15 - HD3 LYS 39 lone 0 85 - 0 - HB ILE 15 - HD2 LYS 39 lone 0 84 - 0 - HB2 LEU 45 - HD3 LYS 16 lone 0 53 - 1 - HG2 MET 121 - HD3 LYS 44 lone 0 98 - 0 - HG2 MET 121 - HD2 LYS 44 lone 0 98 - 0 - HB2 LEU 81 - HD2 LYS 44 lone 0 95 - 0 - HB2 LEU 81 - HD3 LYS 44 lone 0 96 - 0 - HB2 LYS 49 - HD3 LYS 39 lone 0 70 - 0 - HB2 LYS 49 - HD3 LYS 44 lone 0 87 - 0 - HB2 LYS 49 - HD2 LYS 39 lone 0 69 - 0 - HB2 LYS 49 - HD2 LYS 44 lone 0 86 - 0 - HG2 MET 121 - HD3 LYS 39 lone 0 83 - 0 - HG2 MET 121 - HD2 LYS 39 lone 0 82 - 0 - HB ILE 71 - HD3 LYS 16 lone 0 38 - 1 - HB ILE 7 - HD3 LYS 39 lone 0 47 - 1 - HB ILE 7 - HD2 LYS 39 lone 0 47 - 1 - HB3 LYS 17 - HD3 LYS 39 lone 0 73 - 0 - HB3 LYS 17 - HD2 LYS 39 lone 0 72 - 0 - HB2 GLU 128 - HD3 LYS 39 lone 0 75 - 0 - HB2 GLU 128 - HD2 LYS 39 lone 0 74 - 0 - HB2 LEU 81 - HD3 LYS 16 lone 0 51 - 0 - HB ILE 7 - HD3 LYS 44 lone 0 61 - 0 - HB ILE 7 - HD2 LYS 44 lone 0 61 - 0 - HG2 MET 121 - HD3 LYS 16 lone 0 54 - 0 - HB2 GLU 128 - HD3 LYS 16 lone 0 48 - 0 - HB2 LYS 49 - HD3 LYS 16 lone 0 44 - 0 - HB ILE 7 - HD3 LYS 16 lone 0 29 - 0 - Peak 3963 from cnoeabs.peaks (1.91, 1.70, 29.13 ppm; 2.71 A): 4 out of 100 assignments used, quality = 1.00: * HB3 LYS 44 + HD3 LYS 44 OK 80 100 - 80 - 3.7=40, 2.9/3954=6...(41) HB2 LYS 44 + HD3 LYS 44 OK 79 99 - 80 - 3.7=40, 2.9/3954=6...(44) HB3 LYS 44 + HD2 LYS 44 OK 79 100 - 79 - 3.7=40, 2.9/3954=6...(41) HB2 LYS 44 + HD2 LYS 44 OK 78 98 - 80 - 3.7=40, 2.9/3954=6...(44) HB2 LYS 96 - HD3 LYS 44 OK 43 99 - 44 - 2.9/3964=2, 3.0/3961=2...(19) HB2 LYS 96 - HD2 LYS 44 OK 42 98 - 43 - 2.9/3954=2, 2.9/3955=2...(20) HB2 LYS 43 - HD3 LYS 44 OK 11 100 - 11 - 4.7/3950=3 HB2 LYS 43 - HD2 LYS 44 OK 11 100 - 11 - 4.7/3950=3 HB3 LYS 43 - HD3 LYS 44 OK 10 99 - 11 - 4.7/3950=3 HB3 LYS 43 - HD2 LYS 44 OK 10 98 - 11 - 4.7/3950=3 HB3 LYS 123 - HD3 LYS 44 OK 10 96 - 11 - HB3 LYS 123 - HD2 LYS 44 poor 10 95 - 11 - HB3 LYS 44 - HD3 LYS 39 poor 10 87 - 11 - HB3 LYS 44 - HD2 LYS 39 poor 9 86 - 11 - HB2 LYS 44 - HD3 LYS 39 poor 9 84 - 11 - HB2 LYS 44 - HD2 LYS 39 poor 9 83 - 11 - HB2 LYS 96 - HD3 LYS 39 lone 8 84 - 10 - HB2 LYS 96 - HD2 LYS 39 lone 8 83 - 10 - HB3 LYS 123 - HD3 LYS 39 lone 6 80 - 7 - HB3 LYS 123 - HD2 LYS 39 lone 6 79 - 7 - HB2 LEU 45 - HD3 LYS 44 lone 4 100 - 4 - 4.0/268=2 HB2 LEU 45 - HD2 LYS 44 lone 4 100 - 4 - 4.0/268=2 HB2 LYS 73 - HD3 LYS 44 lone 3 90 - 4 - HB2 LYS 73 - HD2 LYS 44 lone 3 89 - 4 - HB3 LYS 73 - HD3 LYS 44 lone 3 87 - 4 - HB3 LYS 73 - HD2 LYS 44 lone 3 86 - 4 - HB2 LYS 43 - HD3 LYS 39 lone 3 87 - 3 - HB2 LYS 43 - HD2 LYS 39 lone 3 86 - 3 - HB3 LYS 43 - HD3 LYS 39 lone 3 84 - 3 - HB3 LYS 43 - HD2 LYS 39 lone 3 83 - 3 - HB3 LYS 123 - HD3 LYS 16 lone 2 51 - 5 - HB2 LYS 73 - HD3 LYS 39 lone 2 73 - 3 - HB2 LYS 73 - HD2 LYS 39 lone 2 72 - 3 - HB2 ARG 95 - HD3 LYS 44 lone 2 94 - 2 - HB3 LYS 73 - HD3 LYS 39 lone 2 70 - 3 - HB2 ARG 95 - HD2 LYS 44 lone 2 93 - 2 - HB3 LYS 73 - HD2 LYS 39 lone 2 69 - 3 - HB3 LYS 17 - HD3 LYS 16 lone 2 35 - 5 - 4.0/89=1, ~2816=1 HB ILE 15 - HD3 LYS 16 lone 2 50 - 4 - 7360/6.1=3 HB2 LYS 73 - HD3 LYS 16 lone 2 46 - 4 - HB2 LYS 96 - HD3 LYS 16 lone 2 55 - 3 - HB3 LYS 20 - HD3 LYS 44 lone 1 73 - 2 - HB2 LYS 20 - HD3 LYS 44 lone 1 73 - 2 - HB3 LYS 73 - HD3 LYS 16 lone 1 44 - 3 - HB2 LYS 20 - HD3 LYS 39 lone 1 58 - 2 - HB3 LYS 20 - HD3 LYS 39 lone 1 58 - 2 - HB2 LYS 20 - HD2 LYS 44 lone 1 73 - 2 - HB3 LYS 20 - HD2 LYS 44 lone 1 73 - 2 - HB3 LYS 20 - HD3 LYS 16 lone 1 35 - 4 - HB2 LYS 20 - HD3 LYS 16 lone 1 35 - 4 - HB3 LYS 20 - HD2 LYS 39 lone 1 57 - 2 - HB2 LYS 20 - HD2 LYS 39 lone 1 57 - 2 - HB ILE 71 - HD2 LYS 44 lone 1 91 - 1 - HB ILE 71 - HD3 LYS 44 lone 1 92 - 1 - HB2 ARG 95 - HD3 LYS 39 lone 1 78 - 1 - HB2 ARG 95 - HD2 LYS 39 lone 1 76 - 1 - HB2 LEU 81 - HD3 LYS 39 lone 1 67 - 1 - HB3 LYS 44 - HD3 LYS 16 lone 1 58 - 2 - HB2 LEU 81 - HD2 LYS 39 lone 1 66 - 1 - HB2 LYS 44 - HD3 LYS 16 lone 1 55 - 2 - HB ILE 71 - HD3 LYS 39 lone 1 75 - 1 - HB ILE 71 - HD2 LYS 39 lone 1 74 - 1 - HB2 LYS 43 - HD3 LYS 16 lone 1 58 - 1 - HB2 LEU 45 - HD3 LYS 39 lone 1 87 - 1 - HB2 LEU 45 - HD2 LYS 39 lone 1 86 - 1 - HB3 LYS 43 - HD3 LYS 16 lone 1 55 - 1 - HB2 ARG 95 - HD3 LYS 16 lone 1 50 - 1 - HB2 GLU 128 - HD3 LYS 44 lone 0 99 - 0 - HB2 GLU 128 - HD2 LYS 44 lone 0 98 - 0 - HB ILE 15 - HD3 LYS 44 lone 0 94 - 0 - HB ILE 15 - HD2 LYS 44 lone 0 93 - 0 - HB ILE 7 - HD3 LYS 39 lone 0 64 - 1 - HB ILE 7 - HD2 LYS 39 lone 0 63 - 1 - HB ILE 71 - HD3 LYS 16 lone 0 48 - 1 - HB2 LEU 45 - HD3 LYS 16 lone 0 57 - 1 - HB2 LYS 49 - HD3 LYS 39 lone 0 81 - 0 - HB3 LYS 17 - HD2 LYS 44 lone 0 73 - 0 - HB3 LYS 17 - HD3 LYS 44 lone 0 73 - 0 - HB2 LYS 49 - HD2 LYS 39 lone 0 80 - 0 - HB2 LYS 49 - HD3 LYS 44 lone 0 97 - 0 - HB2 LYS 49 - HD2 LYS 44 lone 0 96 - 0 - HB ILE 15 - HD3 LYS 39 lone 0 78 - 0 - HG2 MET 121 - HD3 LYS 44 lone 0 90 - 0 - HB ILE 15 - HD2 LYS 39 lone 0 76 - 0 - HG2 MET 121 - HD2 LYS 44 lone 0 89 - 0 - HB2 LEU 81 - HD3 LYS 44 lone 0 84 - 0 - HB2 LEU 81 - HD2 LYS 44 lone 0 83 - 0 - HB2 GLU 128 - HD3 LYS 39 lone 0 84 - 0 - HB ILE 7 - HD3 LYS 44 lone 0 81 - 0 - HB2 GLU 128 - HD2 LYS 39 lone 0 83 - 0 - HB ILE 7 - HD2 LYS 44 lone 0 80 - 0 - HG2 MET 121 - HD3 LYS 39 lone 0 73 - 0 - HG2 MET 121 - HD2 LYS 39 lone 0 72 - 0 - HB3 LYS 17 - HD3 LYS 39 lone 0 58 - 0 - HB2 GLU 128 - HD3 LYS 16 lone 0 55 - 0 - HB3 LYS 17 - HD2 LYS 39 lone 0 57 - 0 - HB2 LEU 81 - HD3 LYS 16 lone 0 42 - 0 - HB2 LYS 49 - HD3 LYS 16 lone 0 53 - 0 - HG2 MET 121 - HD3 LYS 16 lone 0 46 - 0 - HB ILE 7 - HD3 LYS 16 lone 0 40 - 0 - Peak 3964 from cnoeabs.peaks (1.58, 1.70, 29.13 ppm; 2.51 A): 2 out of 60 assignments used, quality = 0.97: * HG2 LYS 44 + HD3 LYS 44 OK 82 100 - 82 - 2.9=62, 1.8/3955=6...(23) HG2 LYS 44 + HD2 LYS 44 OK 82 100 - 82 - 2.9=62, 1.8/3955=6...(23) HG3 LYS 96 - HD3 LYS 44 OK 33 87 - 38 - 3937=3, 1.8/3955=3...(11) HG3 LYS 96 - HD2 LYS 44 OK 33 86 - 38 - 3937=3, 1.8/3955=3...(11) HG2 LYS 123 - HD3 LYS 44 OK 10 97 - 11 - 2.9/7122=1, 2.9/7132=1 HG2 LYS 123 - HD2 LYS 44 OK 10 96 - 11 - 2.9/7122=1, 2.9/7132=1 HG2 LYS 44 - HD3 LYS 39 lone 8 87 - 9 - HG2 LYS 44 - HD2 LYS 39 lone 7 86 - 9 - HG3 LYS 96 - HD3 LYS 39 lone 6 70 - 8 - HG2 LYS 123 - HD3 LYS 39 lone 6 81 - 7 - 2.9/7132=1, 2.9/7122=1 HG3 LYS 96 - HD2 LYS 39 lone 6 69 - 8 - HG2 LYS 123 - HD2 LYS 39 lone 6 80 - 7 - 2.9/7132=1, 2.9/7122=1 HG2 LYS 73 - HD3 LYS 44 lone 3 77 - 4 - HG2 LYS 73 - HD2 LYS 44 lone 3 76 - 4 - HG2 LYS 73 - HD3 LYS 39 lone 2 61 - 2 - HG2 LYS 73 - HD2 LYS 39 lone 2 60 - 2 - HG2 LYS 123 - HD3 LYS 16 lone 1 53 - 2 - HG2 LYS 73 - HD3 LYS 16 lone 1 38 - 3 - HG3 LYS 96 - HD3 LYS 16 lone 1 44 - 2 - HD2 LYS 19 - HD3 LYS 16 lone 1 44 - 2 - 11220/5.2=1 HD3 LYS 19 - HD3 LYS 16 lone 1 44 - 2 - 11220/5.2=1 HG2 LYS 44 - HD3 LYS 16 lone 1 58 - 1 - HG3 LYS 19 - HD3 LYS 16 lone 1 40 - 2 - HB3 LEU 70 - HD3 LYS 44 lone 1 87 - 1 - HB3 LEU 70 - HD2 LYS 44 lone 1 86 - 1 - HG LEU 68 - HD3 LYS 44 lone 1 98 - 1 - HG LEU 68 - HD2 LYS 44 lone 1 98 - 1 - HD3 LYS 19 - HD3 LYS 39 lone 0 70 - 1 - HD2 LYS 19 - HD3 LYS 39 lone 0 70 - 1 - HD3 LYS 19 - HD2 LYS 39 lone 0 69 - 1 - HD2 LYS 19 - HD2 LYS 39 lone 0 69 - 1 - HG LEU 68 - HD3 LYS 16 lone 0 54 - 1 - HG LEU 82 - HD3 LYS 39 lone 0 58 - 1 - HG LEU 82 - HD2 LYS 39 lone 0 57 - 1 - HG12 ILE 116 - HD3 LYS 44 lone 0 100 - 0 - HG12 ILE 116 - HD2 LYS 44 lone 0 100 - 0 - HB3 LEU 70 - HD3 LYS 39 lone 0 70 - 0 - HB3 LEU 70 - HD2 LYS 39 lone 0 69 - 0 - HG LEU 68 - HD3 LYS 39 lone 0 83 - 0 - HG LEU 82 - HD3 LYS 16 lone 0 35 - 1 - HG LEU 68 - HD2 LYS 39 lone 0 82 - 0 - HG LEU 82 - HD3 LYS 44 lone 0 73 - 0 - HG LEU 82 - HD2 LYS 44 lone 0 73 - 0 - HD2 LYS 19 - HD3 LYS 44 lone 0 87 - 0 - HD3 LYS 19 - HD3 LYS 44 lone 0 87 - 0 - HD2 LYS 19 - HD2 LYS 44 lone 0 86 - 0 - HD3 LYS 19 - HD2 LYS 44 lone 0 86 - 0 - HG3 LYS 19 - HD3 LYS 44 lone 0 81 - 0 - HG3 LYS 19 - HD2 LYS 44 lone 0 80 - 0 - HG12 ILE 116 - HD3 LYS 16 lone 0 57 - 0 - HG12 ILE 116 - HD3 LYS 39 lone 0 87 - 0 - HG12 ILE 116 - HD2 LYS 39 lone 0 86 - 0 - HG LEU 55 - HD3 LYS 44 lone 0 73 - 0 - HG LEU 55 - HD2 LYS 44 lone 0 73 - 0 - HB3 LEU 70 - HD3 LYS 16 lone 0 44 - 0 - HG3 LYS 19 - HD3 LYS 39 lone 0 64 - 0 - HG3 LYS 19 - HD2 LYS 39 lone 0 63 - 0 - HG LEU 55 - HD3 LYS 39 lone 0 58 - 0 - HG LEU 55 - HD2 LYS 39 lone 0 57 - 0 - HG LEU 55 - HD3 LYS 16 lone 0 35 - 0 - Peak 3965 from cnoeabs.peaks (1.44, 1.70, 29.13 ppm; 2.70 A): 3 out of 65 assignments used, quality = 1.00: * HG3 LYS 44 + HD3 LYS 44 OK 91 100 - 91 - 2.9=78, 1.8/3954=10...(27) HG3 LYS 44 + HD2 LYS 44 OK 91 100 - 91 - 2.9=78, 1.8/3954=10...(25) HG2 LYS 96 + HD3 LYS 44 OK 45 100 - 45 - 3947=5, 1.8/3964=4...(15) HG2 LYS 96 - HD2 LYS 44 OK 44 100 - 45 - 3947=5, 1.8/3954=4...(15) HG2 LYS 39 - HD3 LYS 39 OK 40 47 - 85 - 3.0=76, 2.9/3620=3...(16) HG2 LYS 39 - HD2 LYS 39 OK 40 47 - 85 - 3.0=76, 2.9/3620=3...(16) HG3 LYS 44 - HD3 LYS 39 poor 9 87 - 10 - 3947=1 HG3 LYS 44 - HD2 LYS 39 poor 9 86 - 10 - 3947=1 HG2 LYS 96 - HD3 LYS 39 lone 8 87 - 10 - 3947=1 HG2 LYS 96 - HD2 LYS 39 lone 8 86 - 10 - 3947=1 HG2 LYS 39 - HD3 LYS 44 lone 5 61 - 8 - HG2 LYS 39 - HD2 LYS 44 lone 5 61 - 8 - HG3 LYS 17 - HD3 LYS 16 lone 2 50 - 5 - HG2 LYS 96 - HD3 LYS 16 lone 2 57 - 3 - HG LEU 80 - HD3 LYS 39 lone 1 86 - 1 - HG LEU 80 - HD2 LYS 39 lone 1 85 - 1 - HG3 LYS 44 - HD3 LYS 16 lone 1 58 - 2 - HB2 LEU 4 - HD3 LYS 16 lone 1 58 - 2 - HB3 LEU 4 - HD3 LYS 16 lone 1 58 - 2 - HG LEU 4 - HD3 LYS 16 lone 1 42 - 2 - HG3 LYS 17 - HD3 LYS 44 lone 1 94 - 1 - HG3 LYS 17 - HD2 LYS 44 lone 1 93 - 1 - HB3 LEU 63 - HD3 LYS 44 lone 1 87 - 1 - HB3 LEU 63 - HD2 LYS 44 lone 1 86 - 1 - HG12 ILE 56 - HD3 LYS 44 lone 0 90 - 1 - HG12 ILE 56 - HD2 LYS 44 lone 0 89 - 1 - HG2 LYS 39 - HD3 LYS 16 lone 1 29 - 2 - HB2 LEU 4 - HD3 LYS 44 lone 0 100 - 0 - HB3 LEU 4 - HD3 LYS 44 lone 0 100 - 0 - HB2 LEU 4 - HD2 LYS 44 lone 0 100 - 0 - HB3 LEU 4 - HD2 LYS 44 lone 0 100 - 0 - HB3 LEU 63 - HD3 LYS 39 lone 0 70 - 1 - HB3 LEU 63 - HD2 LYS 39 lone 0 69 - 1 - HG LEU 80 - HD3 LYS 44 lone 0 100 - 0 - HG LEU 80 - HD2 LYS 44 lone 0 99 - 0 - HG3 ARG 30 - HD3 LYS 44 lone 0 81 - 0 - HG3 ARG 30 - HD2 LYS 44 lone 0 80 - 0 - HG3 LYS 17 - HD3 LYS 39 lone 0 78 - 0 - HG3 LYS 17 - HD2 LYS 39 lone 0 76 - 0 - HB3 LYS 61 - HD3 LYS 44 lone 0 98 - 0 - HB3 LYS 61 - HD2 LYS 44 lone 0 98 - 0 - HG LEU 4 - HD3 LYS 44 lone 0 84 - 0 - HG LEU 4 - HD2 LYS 44 lone 0 83 - 0 - HB2 LEU 4 - HD3 LYS 39 lone 0 87 - 0 - HB3 LEU 4 - HD3 LYS 39 lone 0 87 - 0 - HB3 LEU 4 - HD2 LYS 39 lone 0 86 - 0 - HB2 LEU 4 - HD2 LYS 39 lone 0 86 - 0 - HB3 LEU 63 - HD3 LYS 16 lone 0 44 - 0 - HG12 ILE 56 - HD3 LYS 39 lone 0 73 - 0 - HG12 ILE 56 - HD2 LYS 39 lone 0 72 - 0 - HB3 GLN 83 - HD3 LYS 44 lone 0 65 - 0 - HB3 LYS 61 - HD3 LYS 39 lone 0 83 - 0 - HB3 LYS 61 - HD2 LYS 39 lone 0 82 - 0 - HB3 GLN 83 - HD2 LYS 44 lone 0 65 - 0 - HG LEU 4 - HD3 LYS 39 lone 0 67 - 0 - HG LEU 4 - HD2 LYS 39 lone 0 66 - 0 - HG LEU 80 - HD3 LYS 16 lone 0 57 - 0 - HG12 ILE 56 - HD3 LYS 16 lone 0 46 - 0 - HG3 ARG 30 - HD3 LYS 39 lone 0 64 - 0 - HG3 ARG 30 - HD2 LYS 39 lone 0 63 - 0 - HB3 LYS 61 - HD3 LYS 16 lone 0 54 - 0 - HB3 GLN 83 - HD3 LYS 39 lone 0 51 - 0 - HB3 GLN 83 - HD2 LYS 39 lone 0 50 - 0 - HG3 ARG 30 - HD3 LYS 16 lone 0 40 - 0 - HB3 GLN 83 - HD3 LYS 16 lone 0 31 - 0 - Peak 3966 from cnoeabs.peaks (1.70, 1.70, 29.13 ppm; diagonal): 4 out of 5 assignments used, quality = 1.00: HD3 LYS 44 + HD3 LYS 44 OK 100 100 - 100 HD2 LYS 44 + HD2 LYS 44 OK 100 100 - 100 HD3 LYS 39 + HD3 LYS 39 OK 85 85 - 100 HD2 LYS 39 + HD2 LYS 39 OK 83 83 - 100 HD3 LYS 16 - HD3 LYS 16 OK 44 44 - 100 Reference assignment not found: HD2 LYS 44 - HD3 LYS 44 Peak 3967 from cnoeabs.peaks (1.70, 1.70, 29.13 ppm; diagonal): 4 out of 5 assignments used, quality = 1.00: * HD3 LYS 44 + HD3 LYS 44 OK 100 100 - 100 HD2 LYS 44 + HD2 LYS 44 OK 100 100 - 100 HD3 LYS 39 + HD3 LYS 39 OK 87 87 - 100 HD2 LYS 39 + HD2 LYS 39 OK 85 85 - 100 HD3 LYS 16 - HD3 LYS 16 OK 40 40 - 100 Peak 3968 from cnoeabs.peaks (2.93, 1.70, 29.13 ppm; 2.80 A): 4 out of 45 assignments used, quality = 1.00: HE3 LYS 44 + HD3 LYS 44 OK 92 100 - 92 - 3.0=84, 1.8/3987=5...(37) * HE2 LYS 44 + HD3 LYS 44 OK 92 100 - 92 - 3.0=84, 1.8/3987=5...(37) HE2 LYS 44 + HD2 LYS 44 OK 92 100 - 92 - 3.0=84, 1.8/3987=5...(35) HE3 LYS 44 + HD2 LYS 44 OK 92 100 - 92 - 3.0=84, 1.8/3987=5...(35) HE2 LYS 96 - HD3 LYS 44 OK 30 100 - 31 - 3977=2, 3.8/3964=2...(7) HE3 LYS 96 - HD3 LYS 44 OK 30 100 - 31 - 3977=2, 3.8/3964=2...(7) HE3 LYS 96 - HD2 LYS 44 OK 30 100 - 31 - 3987=2, 3.8/3964=2...(7) HE2 LYS 96 - HD2 LYS 44 OK 30 100 - 31 - 3987=2, 3.8/3964=2...(7) HE3 LYS 44 - HD3 LYS 39 lone 4 87 - 5 - HE2 LYS 44 - HD3 LYS 39 lone 4 87 - 5 - HE3 LYS 44 - HD2 LYS 39 lone 4 86 - 5 - HE2 LYS 44 - HD2 LYS 39 lone 4 86 - 5 - HE3 LYS 96 - HD3 LYS 39 lone 2 87 - 3 - HE2 LYS 96 - HD3 LYS 39 lone 2 87 - 3 - HE3 LYS 96 - HD2 LYS 39 lone 2 86 - 3 - HE2 LYS 96 - HD2 LYS 39 lone 2 86 - 3 - HE2 LYS 65 - HD3 LYS 44 lone 1 81 - 2 - HE3 LYS 65 - HD3 LYS 44 lone 1 81 - 2 - HE3 LYS 65 - HD2 LYS 44 lone 1 80 - 1 - HE2 LYS 65 - HD2 LYS 44 lone 1 80 - 1 - HE3 LYS 94 - HD3 LYS 44 lone 1 84 - 1 - HE3 LYS 94 - HD2 LYS 44 lone 1 83 - 1 - HE3 LYS 65 - HD3 LYS 16 lone 1 40 - 2 - HE2 LYS 65 - HD3 LYS 16 lone 1 40 - 2 - HE3 LYS 96 - HD3 LYS 16 lone 1 58 - 1 - HE2 LYS 96 - HD3 LYS 16 lone 1 58 - 1 - HE3 LYS 44 - HD3 LYS 16 lone 0 58 - 1 - HE2 LYS 44 - HD3 LYS 16 lone 0 58 - 1 - HD3 ARG 30 - HD3 LYS 44 lone 0 100 - 0 - HD3 ARG 30 - HD2 LYS 44 lone 0 99 - 0 - HE3 LYS 94 - HD3 LYS 39 lone 0 67 - 1 - HE3 LYS 94 - HD2 LYS 39 lone 0 66 - 1 - HB2 ASP 86 - HD3 LYS 44 lone 0 100 - 0 - HB2 ASP 86 - HD2 LYS 44 lone 0 99 - 0 - HE3 LYS 65 - HD3 LYS 39 lone 0 64 - 0 - HE2 LYS 65 - HD3 LYS 39 lone 0 64 - 0 - HE2 LYS 65 - HD2 LYS 39 lone 0 63 - 0 - HE3 LYS 65 - HD2 LYS 39 lone 0 63 - 0 - HD3 ARG 30 - HD3 LYS 39 lone 0 86 - 0 - HD3 ARG 30 - HD2 LYS 39 lone 0 85 - 0 - HB2 ASP 86 - HD3 LYS 39 lone 0 86 - 0 - HB2 ASP 86 - HD2 LYS 39 lone 0 85 - 0 - HE3 LYS 94 - HD3 LYS 16 lone 0 42 - 0 - HD3 ARG 30 - HD3 LYS 16 lone 0 57 - 0 - HB2 ASP 86 - HD3 LYS 16 lone 0 57 - 0 - Peak 3969 from cnoeabs.peaks (2.93, 1.70, 29.13 ppm; 2.80 A): 4 out of 45 assignments used, quality = 1.00: * HE3 LYS 44 + HD3 LYS 44 OK 92 100 - 92 - 3.0=84, 1.8/3987=5...(37) HE2 LYS 44 + HD3 LYS 44 OK 92 100 - 92 - 3.0=84, 1.8/3987=5...(37) HE2 LYS 44 + HD2 LYS 44 OK 92 100 - 92 - 3.0=84, 1.8/3987=5...(35) HE3 LYS 44 + HD2 LYS 44 OK 92 100 - 92 - 3.0=84, 1.8/3987=5...(35) HE2 LYS 96 - HD3 LYS 44 OK 30 100 - 31 - 3977=2, 3.8/3964=2...(7) HE3 LYS 96 - HD3 LYS 44 OK 30 100 - 31 - 3977=2, 3.8/3964=2...(7) HE3 LYS 96 - HD2 LYS 44 OK 30 100 - 31 - 3987=2, 3.8/3964=2...(7) HE2 LYS 96 - HD2 LYS 44 OK 30 100 - 31 - 3987=2, 3.8/3964=2...(7) HE3 LYS 44 - HD3 LYS 39 lone 4 87 - 5 - HE2 LYS 44 - HD3 LYS 39 lone 4 87 - 5 - HE3 LYS 44 - HD2 LYS 39 lone 4 86 - 5 - HE2 LYS 44 - HD2 LYS 39 lone 4 86 - 5 - HE3 LYS 96 - HD3 LYS 39 lone 2 87 - 3 - HE2 LYS 96 - HD3 LYS 39 lone 2 87 - 3 - HE3 LYS 96 - HD2 LYS 39 lone 2 86 - 3 - HE2 LYS 96 - HD2 LYS 39 lone 2 86 - 3 - HE2 LYS 65 - HD3 LYS 44 lone 1 81 - 2 - HE3 LYS 65 - HD3 LYS 44 lone 1 81 - 2 - HE3 LYS 65 - HD2 LYS 44 lone 1 80 - 1 - HE2 LYS 65 - HD2 LYS 44 lone 1 80 - 1 - HE3 LYS 94 - HD3 LYS 44 lone 1 84 - 1 - HE3 LYS 94 - HD2 LYS 44 lone 1 83 - 1 - HE3 LYS 65 - HD3 LYS 16 lone 1 40 - 2 - HE2 LYS 65 - HD3 LYS 16 lone 1 40 - 2 - HE3 LYS 96 - HD3 LYS 16 lone 1 58 - 1 - HE2 LYS 96 - HD3 LYS 16 lone 1 58 - 1 - HE3 LYS 44 - HD3 LYS 16 lone 0 58 - 1 - HE2 LYS 44 - HD3 LYS 16 lone 0 58 - 1 - HD3 ARG 30 - HD3 LYS 44 lone 0 100 - 0 - HD3 ARG 30 - HD2 LYS 44 lone 0 99 - 0 - HE3 LYS 94 - HD3 LYS 39 lone 0 67 - 1 - HE3 LYS 94 - HD2 LYS 39 lone 0 66 - 1 - HB2 ASP 86 - HD3 LYS 44 lone 0 100 - 0 - HB2 ASP 86 - HD2 LYS 44 lone 0 99 - 0 - HE3 LYS 65 - HD3 LYS 39 lone 0 64 - 0 - HE2 LYS 65 - HD3 LYS 39 lone 0 64 - 0 - HE2 LYS 65 - HD2 LYS 39 lone 0 63 - 0 - HE3 LYS 65 - HD2 LYS 39 lone 0 63 - 0 - HD3 ARG 30 - HD3 LYS 39 lone 0 86 - 0 - HD3 ARG 30 - HD2 LYS 39 lone 0 85 - 0 - HB2 ASP 86 - HD3 LYS 39 lone 0 86 - 0 - HB2 ASP 86 - HD2 LYS 39 lone 0 85 - 0 - HE3 LYS 94 - HD3 LYS 16 lone 0 42 - 0 - HD3 ARG 30 - HD3 LYS 16 lone 0 57 - 0 - HB2 ASP 86 - HD3 LYS 16 lone 0 57 - 0 - Peak 3971 from cnoeabs.peaks (4.06, 2.93, 41.78 ppm; 6.20 A): 8 out of 56 assignments used, quality = 1.00: HA LYS 44 + HE3 LYS 44 OK 99 100 - 99 - 6.5=88, 3905/3.7=23...(37) * HA LYS 44 + HE2 LYS 44 OK 99 100 - 99 - 6.5=88, 3905/3.7=23...(37) HA LYS 96 + HE2 LYS 96 OK 99 99 - 100 - 6.3=96, 6076/3.8=24...(65) HA LYS 96 + HE3 LYS 96 OK 99 99 - 100 - 6.3=96, 6076/3.8=24...(65) HA LYS 96 + HE2 LYS 44 OK 86 99 - 86 - 6075/3.7=13, 6076/3.7=12...(43) HA LYS 96 + HE3 LYS 44 OK 86 99 - 86 - 6075/3.7=13, 6076/3.7=12...(43) HA LYS 44 + HE2 LYS 96 OK 75 100 - 75 - 3905/3.8=14, 3904/3.8=9...(30) HA LYS 44 + HE3 LYS 96 OK 75 100 - 75 - 3905/3.8=14, 3904/3.8=9...(30) HA GLU 91 - HE3 LYS 94 OK 20 53 - 39 - 8194/4.8=11, 8195/4.8=11...(6) HA LYS 96 - HE3 LYS 94 OK 18 66 - 27 - 2154/6.9=6, 8194/4.8=6...(5) HA GLU 91 - HE2 LYS 96 OK 14 87 - 16 - 3.0/11469=3, 2.9/10077=3...(5) HA GLU 91 - HE3 LYS 96 OK 14 87 - 16 - 3.0/11469=3, 2.9/10077=3...(5) HA LYS 96 - HE3 LYS 65 OK 12 61 - 18 - 3.0/6100=2, ~6100=2...(7) HA LYS 96 - HE2 LYS 65 OK 12 61 - 18 - 3.0/6100=2, ~6100=2...(7) HA GLU 91 - HE2 LYS 44 OK 11 87 - 12 - 2.9/10077=2, 3.0/11469=2...(4) HA GLU 91 - HE3 LYS 44 OK 11 87 - 12 - 2.9/10077=2, 3.0/11469=2...(4) HA LYS 44 - HE3 LYS 94 OK 10 68 - 15 - 8194/4.8=3, 8196/4.8=2...(5) HA GLU 69 - HE2 LYS 44 lone 8 98 - 8 - 3905/3.7=1, 3904/3.7=1 HA GLU 69 - HE3 LYS 44 lone 8 98 - 8 - 3905/3.7=1, 3904/3.7=1 HA2 GLY 125 - HE2 LYS 96 lone 6 94 - 7 - 8326/4.9=1, 8328/4.9=1 HA2 GLY 125 - HE3 LYS 96 lone 6 94 - 7 - 8326/4.9=1, 8328/4.9=1 HA3 GLY 125 - HE2 LYS 96 lone 6 100 - 6 - HA3 GLY 125 - HE3 LYS 96 lone 6 100 - 6 - HA GLU 69 - HE3 LYS 65 poor 6 59 - 11 - 8150/7.4=2, 8046/4.8=2 HA GLU 69 - HE2 LYS 65 poor 6 59 - 11 - 8150/7.4=2, 8046/4.8=2 HA GLU 69 - HE3 LYS 96 lone 6 98 - 6 - HA GLU 69 - HE2 LYS 96 lone 6 98 - 6 - HA2 GLY 125 - HE2 LYS 44 lone 5 94 - 6 - HA2 GLY 125 - HE3 LYS 44 lone 5 94 - 6 - HA3 GLY 125 - HE2 LYS 44 lone 5 100 - 5 - HA3 GLY 125 - HE3 LYS 44 lone 5 100 - 5 - HA LYS 44 - HE3 LYS 65 lone 4 63 - 7 - HA LYS 44 - HE2 LYS 65 lone 4 63 - 7 - HA GLU 69 - HE3 LYS 94 lone 4 64 - 6 - 2154/6.9=1 HA GLU 37 - HE3 LYS 96 lone 4 100 - 4 - HA GLU 37 - HE2 LYS 96 lone 4 100 - 4 - HA SER 35 - HE3 LYS 96 lone 3 77 - 4 - HA SER 35 - HE2 LYS 96 lone 3 77 - 4 - HA GLU 37 - HE3 LYS 94 lone 3 68 - 5 - HA GLU 37 - HE2 LYS 44 lone 3 100 - 3 - HA GLU 37 - HE3 LYS 44 lone 3 100 - 3 - HA3 GLY 125 - HE3 LYS 94 lone 3 68 - 5 - HA SER 35 - HE3 LYS 44 lone 2 77 - 3 - HA SER 35 - HE2 LYS 44 lone 2 77 - 3 - HA GLU 37 - HE2 LYS 65 lone 2 62 - 3 - HA GLU 37 - HE3 LYS 65 lone 2 62 - 3 - HA GLU 91 - HE2 LYS 65 lone 2 48 - 4 - HA GLU 91 - HE3 LYS 65 lone 2 48 - 4 - HA3 GLY 125 - HE3 LYS 65 lone 1 62 - 2 - HA3 GLY 125 - HE2 LYS 65 lone 1 62 - 2 - HA2 GLY 125 - HE3 LYS 94 lone 1 59 - 2 - HA2 GLY 125 - HE3 LYS 65 lone 1 54 - 2 - HA2 GLY 125 - HE2 LYS 65 lone 1 54 - 2 - HA SER 35 - HE3 LYS 65 lone 1 41 - 2 - HA SER 35 - HE2 LYS 65 lone 1 41 - 2 - HA SER 35 - HE3 LYS 94 lone 1 45 - 2 - Peak 3972 from cnoeabs.peaks (1.91, 2.93, 41.78 ppm; 3.41 A): 12 out of 133 assignments used, quality = 1.00: HB2 LYS 44 + HE3 LYS 44 OK 82 100 - 82 - 5.0=32, 3915/3.7=5...(58) * HB2 LYS 44 + HE2 LYS 44 OK 82 100 - 82 - 5.0=32, 3915/3.7=5...(58) HB3 LYS 44 + HE2 LYS 44 OK 81 99 - 82 - 5.0=32, 3915/3.7=5...(57) HB3 LYS 44 + HE3 LYS 44 OK 81 99 - 82 - 5.0=32, 3915/3.7=5...(57) HB2 LYS 96 + HE2 LYS 96 OK 78 92 - 85 - 4.9=34, 1.8/6099=6...(57) HB2 LYS 96 + HE3 LYS 96 OK 78 92 - 85 - 4.9=34, 1.8/6099=6...(57) HB2 LYS 96 + HE2 LYS 44 OK 56 92 - 61 - 1.8/6100=5, 3.0/6079=4...(42) HB2 LYS 96 + HE3 LYS 44 OK 56 92 - 61 - 1.8/6100=5, 3.0/6079=4...(42) HB2 LYS 44 + HE3 LYS 96 OK 50 100 - 51 - 3.0/3909=3, 2.9/3938=2...(29) HB2 LYS 44 + HE2 LYS 96 OK 50 100 - 51 - 3.0/3909=3, 2.9/3938=2...(29) HB3 LYS 44 + HE2 LYS 96 OK 49 99 - 50 - 3.0/3909=3, 2.9/3939=2...(29) HB3 LYS 44 + HE3 LYS 96 OK 49 99 - 50 - 3.0/3909=3, 2.9/3939=2...(29) HB2 LYS 115 - HE2 LYS 65 OK 13 36 - 35 - ~6784=2, ~6774=2...(7) HB2 LYS 115 - HE3 LYS 65 OK 13 36 - 35 - ~6784=2, ~6774=2...(7) HB2 LYS 43 - HE2 LYS 96 OK 12 99 - 12 - 4.7/1290=1 HB2 LYS 43 - HE3 LYS 96 OK 12 99 - 12 - 4.7/1290=1 HB2 LYS 43 - HE2 LYS 44 OK 11 99 - 11 - 4.7/1291=2 HB2 LYS 43 - HE3 LYS 44 OK 11 99 - 11 - 4.7/1291=2 HB3 LYS 43 - HE3 LYS 96 OK 10 92 - 11 - 4.7/1291=1 HB3 LYS 43 - HE2 LYS 96 OK 10 92 - 11 - 4.7/1291=1 HB3 LYS 43 - HE3 LYS 44 poor 10 92 - 11 - 4.7/1291=2 HB3 LYS 43 - HE2 LYS 44 poor 10 92 - 11 - 4.7/1291=2 HB3 LYS 123 - HE3 LYS 44 lone 9 100 - 10 - HB3 LYS 123 - HE2 LYS 44 lone 9 100 - 10 - HB2 ARG 95 - HE2 LYS 96 lone 8 81 - 10 - 7789/7.5=2, 8327/6.3=2, ~6020=1 HB2 ARG 95 - HE3 LYS 96 lone 8 81 - 10 - 7789/7.5=2, 8327/6.3=2, ~6020=1 HB2 LYS 73 - HE3 LYS 96 poor 7 73 - 10 - HB2 LYS 73 - HE2 LYS 96 poor 7 73 - 10 - HB3 LYS 73 - HE3 LYS 96 lone 7 70 - 10 - HB3 LYS 73 - HE2 LYS 96 lone 7 70 - 10 - HB2 LYS 96 - HE3 LYS 65 poor 6 52 - 12 - HB2 LYS 96 - HE2 LYS 65 poor 6 52 - 12 - HB2 LYS 43 - HE3 LYS 94 lone 3 66 - 5 - ~11106=2, ~8085=1 HB2 LYS 73 - HE3 LYS 44 lone 3 73 - 4 - HB2 LYS 73 - HE2 LYS 44 lone 3 73 - 4 - HB3 LYS 123 - HE3 LYS 96 lone 3 100 - 3 - HB3 LYS 123 - HE2 LYS 96 lone 3 100 - 3 - HB3 LYS 73 - HE2 LYS 44 lone 3 70 - 4 - HB3 LYS 73 - HE3 LYS 44 lone 3 70 - 4 - HB3 LYS 43 - HE3 LYS 94 lone 3 57 - 5 - ~11106=2, ~8085=1 HB2 LEU 81 - HE3 LYS 65 lone 3 56 - 5 - HB2 LEU 81 - HE2 LYS 65 lone 3 56 - 5 - HB2 LEU 45 - HE2 LYS 44 lone 2 97 - 2 - HB2 LEU 45 - HE3 LYS 44 lone 2 97 - 2 - HB2 LEU 45 - HE3 LYS 96 lone 2 97 - 2 - HB2 LEU 45 - HE2 LYS 96 lone 2 97 - 2 - HB3 LYS 123 - HE3 LYS 65 lone 2 62 - 3 - HB3 LYS 123 - HE2 LYS 65 lone 2 62 - 3 - HB2 LYS 44 - HE3 LYS 65 lone 2 63 - 3 - HB2 LYS 44 - HE2 LYS 65 lone 2 63 - 3 - HB3 LYS 44 - HE2 LYS 65 lone 2 60 - 3 - HB3 LYS 44 - HE3 LYS 65 lone 2 60 - 3 - HB2 LYS 44 - HE3 LYS 94 lone 2 68 - 2 - HB2 LYS 49 - HE2 LYS 65 lone 2 48 - 3 - HB2 LYS 49 - HE3 LYS 65 lone 2 48 - 3 - HB3 LYS 44 - HE3 LYS 94 lone 2 65 - 2 - HB2 ARG 95 - HE2 LYS 44 lone 2 81 - 2 - HB2 ARG 95 - HE3 LYS 44 lone 2 81 - 2 - HB2 LYS 96 - HE3 LYS 94 lone 2 57 - 3 - HB3 LYS 123 - HE3 LYS 94 lone 1 67 - 2 - HB2 GLU 128 - HE2 LYS 96 lone 1 92 - 1 - HB2 GLU 128 - HE3 LYS 96 lone 1 92 - 1 - HB3 LYS 17 - HE2 LYS 96 lone 1 90 - 1 - HB3 LYS 17 - HE3 LYS 96 lone 1 90 - 1 - HB2 LEU 81 - HE3 LYS 94 lone 1 61 - 1 - HB2 LYS 115 - HE2 LYS 96 lone 1 70 - 1 - HB2 LYS 115 - HE3 LYS 96 lone 1 70 - 1 - HB2 GLU 128 - HE2 LYS 44 lone 1 92 - 1 - HB2 GLU 128 - HE3 LYS 44 lone 1 92 - 1 - HB2 LYS 115 - HE3 LYS 94 lone 1 40 - 1 - HB ILE 71 - HE2 LYS 96 lone 1 77 - 1 - HB ILE 71 - HE3 LYS 96 lone 1 77 - 1 - HB ILE 71 - HE3 LYS 44 lone 1 77 - 1 - HB ILE 71 - HE2 LYS 44 lone 1 77 - 1 - HB2 LYS 115 - HE3 LYS 44 lone 1 70 - 1 - HB2 LYS 115 - HE2 LYS 44 lone 1 70 - 1 - HB3 LYS 17 - HE2 LYS 44 lone 0 90 - 1 - HB3 LYS 17 - HE3 LYS 44 lone 0 90 - 1 - HB2 LEU 81 - HE2 LYS 44 lone 0 96 - 0 - HB2 LEU 81 - HE3 LYS 44 lone 0 96 - 0 - HB2 LEU 81 - HE3 LYS 96 lone 0 96 - 0 - HB2 LEU 81 - HE2 LYS 96 lone 0 96 - 0 - HB ILE 71 - HE3 LYS 65 lone 0 41 - 1 - HB ILE 71 - HE2 LYS 65 lone 0 41 - 1 - HB2 LYS 49 - HE2 LYS 96 lone 0 87 - 0 - HB2 LYS 49 - HE3 LYS 96 lone 0 87 - 0 - HB ILE 15 - HE3 LYS 44 lone 0 99 - 0 - HB ILE 15 - HE2 LYS 44 lone 0 99 - 0 - HG2 MET 121 - HE2 LYS 44 lone 0 98 - 0 - HG2 MET 121 - HE3 LYS 44 lone 0 98 - 0 - HG2 MET 121 - HE3 LYS 96 lone 0 98 - 0 - HG2 MET 121 - HE2 LYS 96 lone 0 98 - 0 - HB2 LYS 43 - HE2 LYS 65 lone 0 61 - 1 - HB2 LYS 43 - HE3 LYS 65 lone 0 61 - 1 - HB2 LYS 49 - HE3 LYS 44 lone 0 87 - 0 - HB2 LYS 49 - HE2 LYS 44 lone 0 87 - 0 - HB ILE 15 - HE2 LYS 96 lone 0 99 - 0 - HB ILE 15 - HE3 LYS 96 lone 0 99 - 0 - HB2 LYS 49 - HE3 LYS 94 lone 0 53 - 1 - HB3 LYS 43 - HE3 LYS 65 lone 0 52 - 1 - HB3 LYS 43 - HE2 LYS 65 lone 0 52 - 1 - HB ILE 71 - HE3 LYS 94 lone 0 45 - 1 - HG2 MET 121 - HE3 LYS 65 lone 0 59 - 1 - HG2 MET 121 - HE2 LYS 65 lone 0 59 - 1 - HB3 LYS 17 - HE3 LYS 94 lone 0 55 - 1 - HB ILE 15 - HE3 LYS 94 lone 0 66 - 0 - HB2 LEU 45 - HE3 LYS 94 lone 0 63 - 0 - HB ILE 7 - HE3 LYS 96 lone 0 61 - 0 - HB ILE 7 - HE2 LYS 96 lone 0 61 - 0 - HG2 MET 121 - HE3 LYS 94 lone 0 64 - 0 - HB ILE 7 - HE3 LYS 44 lone 0 61 - 0 - HB ILE 7 - HE2 LYS 44 lone 0 61 - 0 - HB ILE 15 - HE2 LYS 65 lone 0 61 - 0 - HB ILE 15 - HE3 LYS 65 lone 0 61 - 0 - HB3 LYS 17 - HE3 LYS 65 lone 0 50 - 0 - HB3 LYS 17 - HE2 LYS 65 lone 0 50 - 0 - HB2 GLU 128 - HE3 LYS 94 lone 0 57 - 0 - HB2 ARG 95 - HE3 LYS 94 lone 0 48 - 0 - HB2 ARG 95 - HE2 LYS 65 lone 0 44 - 0 - HB2 ARG 95 - HE3 LYS 65 lone 0 44 - 0 - HB2 LYS 73 - HE3 LYS 65 lone 0 39 - 1 - HB2 LYS 73 - HE2 LYS 65 lone 0 39 - 1 - HB2 LEU 45 - HE2 LYS 65 lone 0 58 - 0 - HB2 LEU 45 - HE3 LYS 65 lone 0 58 - 0 - HB2 LYS 73 - HE3 LYS 94 lone 0 43 - 0 - HB2 GLU 128 - HE2 LYS 65 lone 0 52 - 0 - HB2 GLU 128 - HE3 LYS 65 lone 0 52 - 0 - HB3 LYS 73 - HE3 LYS 94 lone 0 40 - 0 - HB3 LYS 73 - HE2 LYS 65 lone 0 36 - 0 - HB3 LYS 73 - HE3 LYS 65 lone 0 36 - 0 - HB ILE 7 - HE3 LYS 94 lone 0 35 - 0 - HB ILE 7 - HE2 LYS 65 lone 0 31 - 0 - HB ILE 7 - HE3 LYS 65 lone 0 31 - 0 - Peak 3973 from cnoeabs.peaks (1.91, 2.93, 41.78 ppm; 3.41 A): 12 out of 140 assignments used, quality = 1.00: HB2 LYS 96 + HE3 LYS 96 OK 84 99 - 85 - 4.9=34, 1.8/6100=6...(57) HB2 LYS 96 + HE2 LYS 96 OK 84 99 - 85 - 4.9=34, 1.8/6100=6...(57) * HB3 LYS 44 + HE2 LYS 44 OK 82 100 - 82 - 5.0=32, 3915/3.7=5...(57) HB3 LYS 44 + HE3 LYS 44 OK 82 100 - 82 - 5.0=32, 3915/3.7=5...(57) HB2 LYS 44 + HE2 LYS 44 OK 81 99 - 82 - 5.0=32, 3915/3.7=5...(58) HB2 LYS 44 + HE3 LYS 44 OK 81 99 - 82 - 5.0=32, 3915/3.7=5...(58) HB2 LYS 96 + HE3 LYS 44 OK 60 99 - 61 - 1.8/6100=5, 3.0/6079=4...(42) HB2 LYS 96 + HE2 LYS 44 OK 60 99 - 61 - 1.8/6100=5, 3.0/6079=4...(42) HB2 LYS 44 + HE2 LYS 96 OK 50 99 - 51 - 3.0/3909=3, 2.9/3938=2...(29) HB2 LYS 44 + HE3 LYS 96 OK 50 99 - 51 - 3.0/3909=3, 2.9/3938=2...(29) HB3 LYS 44 + HE2 LYS 96 OK 49 100 - 50 - 3.0/3909=3, 2.9/3938=2...(29) HB3 LYS 44 + HE3 LYS 96 OK 49 100 - 50 - 3.0/3909=3, 2.9/3938=2...(29) HB2 LYS 43 - HE3 LYS 96 OK 12 100 - 12 - 4.7/1290=1 HB2 LYS 43 - HE2 LYS 96 OK 12 100 - 12 - 4.7/1290=1 HB3 LYS 43 - HE2 LYS 96 OK 11 99 - 11 - 4.7/1291=1 HB3 LYS 43 - HE3 LYS 96 OK 11 99 - 11 - 4.7/1291=1 HB2 LYS 43 - HE3 LYS 44 OK 11 100 - 11 - 4.7/1291=2 HB2 LYS 43 - HE2 LYS 44 OK 11 100 - 11 - 4.7/1291=2 HB3 LYS 43 - HE3 LYS 44 OK 11 99 - 11 - 4.7/1291=2 HB3 LYS 43 - HE2 LYS 44 OK 11 99 - 11 - 4.7/1291=2 HB2 ARG 95 - HE3 LYS 96 poor 10 94 - 10 - 7789/7.5=2, 8327/6.3=2, ~6020=1 HB2 ARG 95 - HE2 LYS 96 poor 10 94 - 10 - 7789/7.5=2, 8327/6.3=2, ~6020=1 HB2 LYS 73 - HE3 LYS 96 poor 9 90 - 10 - HB2 LYS 73 - HE2 LYS 96 poor 9 90 - 10 - HB3 LYS 123 - HE3 LYS 44 lone 9 96 - 9 - HB3 LYS 123 - HE2 LYS 44 lone 9 96 - 9 - HB3 LYS 73 - HE3 LYS 96 poor 9 87 - 10 - HB3 LYS 73 - HE2 LYS 96 poor 9 87 - 10 - HB2 LYS 96 - HE3 LYS 65 poor 7 60 - 12 - HB2 LYS 96 - HE2 LYS 65 poor 7 60 - 12 - HB3 LYS 20 - HE2 LYS 96 lone 7 73 - 9 - HB3 LYS 20 - HE3 LYS 96 lone 7 73 - 9 - HB2 LYS 20 - HE2 LYS 96 lone 7 73 - 9 - HB2 LYS 20 - HE3 LYS 96 lone 7 73 - 9 - HB2 LYS 73 - HE3 LYS 44 lone 4 90 - 4 - HB2 LYS 73 - HE2 LYS 44 lone 4 90 - 4 - HB3 LYS 73 - HE3 LYS 44 lone 4 87 - 4 - HB3 LYS 73 - HE2 LYS 44 lone 4 87 - 4 - HB2 LYS 43 - HE3 LYS 94 lone 4 68 - 5 - ~11106=2, ~8085=1 HB3 LYS 43 - HE3 LYS 94 lone 3 65 - 5 - ~11106=2, ~8085=1 HB3 LYS 123 - HE3 LYS 96 lone 3 96 - 3 - HB3 LYS 123 - HE2 LYS 96 lone 3 96 - 3 - HB2 LEU 45 - HE3 LYS 44 lone 2 100 - 2 - HB2 LEU 45 - HE2 LYS 44 lone 2 100 - 2 - HB2 LEU 45 - HE3 LYS 96 lone 2 100 - 2 - HB2 LEU 45 - HE2 LYS 96 lone 2 100 - 2 - HB2 LEU 81 - HE3 LYS 65 lone 2 46 - 4 - HB2 LEU 81 - HE2 LYS 65 lone 2 46 - 4 - HB2 LYS 49 - HE2 LYS 65 lone 2 58 - 3 - HB2 LYS 49 - HE3 LYS 65 lone 2 58 - 3 - HB2 ARG 95 - HE2 LYS 44 lone 2 94 - 2 - HB2 ARG 95 - HE3 LYS 44 lone 2 94 - 2 - HB2 LYS 96 - HE3 LYS 94 lone 2 65 - 3 - HB3 LYS 123 - HE2 LYS 65 lone 2 56 - 3 - HB3 LYS 123 - HE3 LYS 65 lone 2 56 - 3 - HB3 LYS 44 - HE2 LYS 65 lone 2 63 - 3 - HB3 LYS 44 - HE3 LYS 65 lone 2 63 - 3 - HB2 LYS 44 - HE3 LYS 65 lone 2 60 - 3 - HB2 LYS 44 - HE2 LYS 65 lone 2 60 - 3 - HB3 LYS 44 - HE3 LYS 94 lone 2 68 - 2 - HB2 LYS 20 - HE2 LYS 44 lone 2 73 - 2 - HB2 LYS 20 - HE3 LYS 44 lone 2 73 - 2 - HB3 LYS 20 - HE3 LYS 44 lone 2 73 - 2 - HB3 LYS 20 - HE2 LYS 44 lone 2 73 - 2 - HB2 LYS 44 - HE3 LYS 94 lone 2 65 - 2 - HB3 LYS 123 - HE3 LYS 94 lone 1 61 - 2 - HB2 GLU 128 - HE2 LYS 96 lone 1 99 - 1 - HB2 GLU 128 - HE3 LYS 96 lone 1 99 - 1 - HB2 GLU 128 - HE2 LYS 44 lone 1 99 - 1 - HB2 GLU 128 - HE3 LYS 44 lone 1 99 - 1 - HB ILE 71 - HE3 LYS 96 lone 1 92 - 1 - HB ILE 71 - HE2 LYS 96 lone 1 92 - 1 - HB ILE 71 - HE3 LYS 65 lone 1 52 - 1 - HB ILE 71 - HE2 LYS 65 lone 1 52 - 1 - HB ILE 71 - HE2 LYS 44 lone 1 92 - 1 - HB ILE 71 - HE3 LYS 44 lone 1 92 - 1 - HB3 LYS 17 - HE2 LYS 96 lone 1 73 - 1 - HB3 LYS 17 - HE3 LYS 96 lone 1 73 - 1 - HB2 LEU 81 - HE3 LYS 94 lone 1 50 - 1 - HB2 LYS 49 - HE2 LYS 96 lone 0 97 - 0 - HB2 LYS 49 - HE3 LYS 96 lone 0 97 - 0 - HB ILE 71 - HE3 LYS 94 lone 0 57 - 1 - HB2 LYS 49 - HE3 LYS 94 lone 0 63 - 1 - HB2 LYS 49 - HE3 LYS 44 lone 0 97 - 0 - HB2 LYS 49 - HE2 LYS 44 lone 0 97 - 0 - HB2 LEU 81 - HE2 LYS 44 lone 0 84 - 0 - HB2 LEU 81 - HE3 LYS 44 lone 0 84 - 0 - HB2 LEU 81 - HE3 LYS 96 lone 0 84 - 0 - HB2 LEU 81 - HE2 LYS 96 lone 0 84 - 0 - HB2 LYS 43 - HE3 LYS 65 lone 0 63 - 1 - HB2 LYS 43 - HE2 LYS 65 lone 0 63 - 1 - HB3 LYS 17 - HE2 LYS 44 lone 0 73 - 1 - HB3 LYS 17 - HE3 LYS 44 lone 0 73 - 1 - HB3 LYS 20 - HE3 LYS 94 lone 0 43 - 1 - HB2 LYS 20 - HE3 LYS 94 lone 0 43 - 1 - HB ILE 15 - HE2 LYS 44 lone 0 94 - 0 - HB ILE 15 - HE3 LYS 44 lone 0 94 - 0 - HB3 LYS 43 - HE3 LYS 65 lone 0 60 - 1 - HB3 LYS 43 - HE2 LYS 65 lone 0 60 - 1 - HG2 MET 121 - HE3 LYS 44 lone 0 90 - 0 - HG2 MET 121 - HE2 LYS 44 lone 0 90 - 0 - HG2 MET 121 - HE3 LYS 96 lone 0 90 - 0 - HG2 MET 121 - HE2 LYS 96 lone 0 90 - 0 - HB ILE 15 - HE2 LYS 96 lone 0 94 - 0 - HB ILE 15 - HE3 LYS 96 lone 0 94 - 0 - HB ILE 7 - HE2 LYS 96 lone 0 81 - 0 - HB ILE 7 - HE3 LYS 96 lone 0 81 - 0 - HB ILE 7 - HE3 LYS 44 lone 0 81 - 0 - HB ILE 7 - HE2 LYS 44 lone 0 81 - 0 - HB2 ARG 95 - HE3 LYS 94 lone 0 59 - 0 - HB2 LEU 45 - HE3 LYS 94 lone 0 68 - 0 - HB2 LYS 73 - HE2 LYS 65 lone 0 50 - 1 - HB2 LYS 73 - HE3 LYS 65 lone 0 50 - 1 - HB2 ARG 95 - HE2 LYS 65 lone 0 54 - 0 - HB2 ARG 95 - HE3 LYS 65 lone 0 54 - 0 - HB3 LYS 73 - HE3 LYS 94 lone 0 53 - 0 - HB2 LYS 73 - HE3 LYS 94 lone 0 55 - 0 - HB2 GLU 128 - HE3 LYS 94 lone 0 65 - 0 - HG2 MET 121 - HE2 LYS 65 lone 0 50 - 0 - HG2 MET 121 - HE3 LYS 65 lone 0 50 - 0 - HB3 LYS 73 - HE2 LYS 65 lone 0 48 - 0 - HB3 LYS 73 - HE3 LYS 65 lone 0 48 - 0 - HB ILE 15 - HE3 LYS 94 lone 0 59 - 0 - HB2 GLU 128 - HE2 LYS 65 lone 0 60 - 0 - HB2 GLU 128 - HE3 LYS 65 lone 0 60 - 0 - HB2 LEU 45 - HE3 LYS 65 lone 0 62 - 0 - HB2 LEU 45 - HE2 LYS 65 lone 0 62 - 0 - HB2 LYS 20 - HE2 LYS 65 lone 0 39 - 1 - HB3 LYS 20 - HE2 LYS 65 lone 0 39 - 1 - HB3 LYS 20 - HE3 LYS 65 lone 0 39 - 1 - HB2 LYS 20 - HE3 LYS 65 lone 0 39 - 1 - HG2 MET 121 - HE3 LYS 94 lone 0 55 - 0 - HB3 LYS 17 - HE3 LYS 94 lone 0 43 - 0 - HB ILE 7 - HE3 LYS 94 lone 0 48 - 0 - HB ILE 15 - HE3 LYS 65 lone 0 54 - 0 - HB ILE 15 - HE2 LYS 65 lone 0 54 - 0 - HB3 LYS 17 - HE3 LYS 65 lone 0 39 - 0 - HB3 LYS 17 - HE2 LYS 65 lone 0 39 - 0 - HB ILE 7 - HE2 LYS 65 lone 0 44 - 0 - HB ILE 7 - HE3 LYS 65 lone 0 44 - 0 - Peak 3974 from cnoeabs.peaks (1.58, 2.93, 41.78 ppm; 2.98 A): 4 out of 84 assignments used, quality = 1.00: HG2 LYS 44 + HE3 LYS 44 OK 82 100 - 82 - 3.7=50, 3954/3.0=7...(32) * HG2 LYS 44 + HE2 LYS 44 OK 82 100 - 82 - 3.7=50, 3954/3.0=7...(32) HG3 LYS 96 + HE2 LYS 96 OK 71 87 - 82 - 3.8=49, 6117/3.0=5...(38) HG3 LYS 96 + HE3 LYS 96 OK 71 87 - 82 - 3.8=49, 6117/3.0=5...(38) HG3 LYS 96 - HE3 LYS 44 OK 44 87 - 51 - 2.9/6099=3, 3964/3.0=3...(27) HG3 LYS 96 - HE2 LYS 44 OK 44 87 - 51 - 2.9/6099=3, 3964/3.0=3...(27) HG2 LYS 44 - HE2 LYS 96 OK 38 100 - 38 - 3939=3, 3938/1.8=2...(17) HG2 LYS 44 - HE3 LYS 96 OK 38 100 - 38 - 3938=3, 3938/1.8=2...(17) HG2 LYS 123 - HE3 LYS 44 lone 8 97 - 8 - HG2 LYS 123 - HE2 LYS 44 lone 8 97 - 8 - HG2 LYS 73 - HE3 LYS 96 lone 6 77 - 7 - HG2 LYS 73 - HE2 LYS 96 lone 6 77 - 7 - HG3 LYS 96 - HE2 LYS 65 lone 4 48 - 8 - HG3 LYS 96 - HE3 LYS 65 lone 4 48 - 8 - HG2 LYS 73 - HE2 LYS 44 lone 3 77 - 4 - HG2 LYS 73 - HE3 LYS 44 lone 3 77 - 4 - HG2 LYS 123 - HE2 LYS 96 lone 3 97 - 3 - HG2 LYS 123 - HE3 LYS 96 lone 3 97 - 3 - HB3 LEU 70 - HE3 LYS 94 lone 2 53 - 3 - HG2 LYS 44 - HE2 LYS 65 lone 1 63 - 2 - HG2 LYS 44 - HE3 LYS 65 lone 1 63 - 2 - HG2 LYS 123 - HE3 LYS 65 lone 1 58 - 2 - HG2 LYS 123 - HE2 LYS 65 lone 1 58 - 2 - HG2 LYS 123 - HE3 LYS 94 lone 1 63 - 2 - HG3 LYS 96 - HE3 LYS 94 lone 1 53 - 2 - HG2 LYS 44 - HE3 LYS 94 lone 1 68 - 2 - HB3 LEU 70 - HE2 LYS 96 lone 1 87 - 1 - HB3 LEU 70 - HE3 LYS 96 lone 1 87 - 1 - HG LEU 68 - HE2 LYS 44 lone 1 98 - 1 - HG LEU 68 - HE3 LYS 44 lone 1 98 - 1 - HB3 LEU 70 - HE2 LYS 44 lone 1 87 - 1 - HB3 LEU 70 - HE3 LYS 44 lone 1 87 - 1 - HG12 ILE 116 - HE2 LYS 65 lone 1 62 - 1 - HG12 ILE 116 - HE3 LYS 65 lone 1 62 - 1 - HG LEU 68 - HE2 LYS 65 lone 1 59 - 1 - HG LEU 68 - HE3 LYS 65 lone 1 59 - 1 - HG LEU 68 - HE3 LYS 96 lone 0 98 - 0 - HG LEU 68 - HE2 LYS 96 lone 0 98 - 0 - HB3 LEU 70 - HE2 LYS 65 lone 0 48 - 1 - HB3 LEU 70 - HE3 LYS 65 lone 0 48 - 1 - HG LEU 55 - HE3 LYS 94 lone 0 43 - 1 - HG12 ILE 116 - HE3 LYS 44 lone 0 100 - 0 - HG12 ILE 116 - HE2 LYS 44 lone 0 100 - 0 - HG LEU 55 - HE3 LYS 96 lone 0 73 - 0 - HG LEU 55 - HE2 LYS 96 lone 0 73 - 0 - HG12 ILE 116 - HE2 LYS 96 lone 0 100 - 0 - HG12 ILE 116 - HE3 LYS 96 lone 0 100 - 0 - HD2 LYS 19 - HE3 LYS 44 lone 0 87 - 0 - HD2 LYS 19 - HE2 LYS 44 lone 0 87 - 0 - HD3 LYS 19 - HE3 LYS 44 lone 0 87 - 0 - HD3 LYS 19 - HE2 LYS 44 lone 0 87 - 0 - HG LEU 55 - HE3 LYS 44 lone 0 73 - 0 - HG LEU 55 - HE2 LYS 44 lone 0 73 - 0 - HG LEU 82 - HE3 LYS 94 lone 0 43 - 1 - HG LEU 68 - HE3 LYS 94 lone 0 64 - 0 - HG3 LYS 19 - HE2 LYS 44 lone 0 81 - 0 - HG3 LYS 19 - HE3 LYS 44 lone 0 81 - 0 - HD3 LYS 19 - HE3 LYS 96 lone 0 87 - 0 - HD2 LYS 19 - HE2 LYS 96 lone 0 87 - 0 - HD3 LYS 19 - HE2 LYS 96 lone 0 87 - 0 - HD2 LYS 19 - HE3 LYS 96 lone 0 87 - 0 - HG12 ILE 116 - HE3 LYS 94 lone 0 68 - 0 - HG LEU 82 - HE2 LYS 44 lone 0 73 - 0 - HG LEU 82 - HE3 LYS 44 lone 0 73 - 0 - HG3 LYS 19 - HE2 LYS 96 lone 0 81 - 0 - HG3 LYS 19 - HE3 LYS 96 lone 0 81 - 0 - HG LEU 82 - HE2 LYS 96 lone 0 73 - 0 - HG LEU 82 - HE3 LYS 96 lone 0 73 - 0 - HG LEU 55 - HE3 LYS 65 lone 0 39 - 1 - HG LEU 55 - HE2 LYS 65 lone 0 39 - 1 - HG2 LYS 73 - HE2 LYS 65 lone 0 41 - 0 - HG2 LYS 73 - HE3 LYS 65 lone 0 41 - 0 - HG2 LYS 73 - HE3 LYS 94 lone 0 45 - 0 - HD3 LYS 19 - HE3 LYS 94 lone 0 53 - 0 - HD2 LYS 19 - HE3 LYS 94 lone 0 53 - 0 - HG3 LYS 19 - HE3 LYS 94 lone 0 48 - 0 - HD3 LYS 19 - HE3 LYS 65 lone 0 48 - 0 - HD3 LYS 19 - HE2 LYS 65 lone 0 48 - 0 - HD2 LYS 19 - HE2 LYS 65 lone 0 48 - 0 - HD2 LYS 19 - HE3 LYS 65 lone 0 48 - 0 - HG LEU 82 - HE2 LYS 65 lone 0 39 - 0 - HG LEU 82 - HE3 LYS 65 lone 0 39 - 0 - HG3 LYS 19 - HE3 LYS 65 lone 0 44 - 0 - HG3 LYS 19 - HE2 LYS 65 lone 0 44 - 0 - Peak 3975 from cnoeabs.peaks (1.44, 2.93, 41.78 ppm; 3.18 A): 8 out of 91 assignments used, quality = 1.00: HG2 LYS 96 + HE2 LYS 96 OK 88 100 - 89 - 3.8=59, 6107/3.0=6...(43) HG2 LYS 96 + HE3 LYS 96 OK 88 100 - 89 - 3.8=59, 6107/3.0=6...(43) HG3 LYS 44 + HE3 LYS 44 OK 88 100 - 88 - 3.7=61, 3955/3.0=6...(34) * HG3 LYS 44 + HE2 LYS 44 OK 88 100 - 88 - 3.7=61, 3955/3.0=6...(34) HG2 LYS 96 + HE2 LYS 44 OK 56 100 - 56 - 6110=4, 2.9/6100=4...(27) HG2 LYS 96 + HE3 LYS 44 OK 56 100 - 56 - 6110=4, 2.9/6100=4...(27) HG3 LYS 44 + HE3 LYS 96 OK 45 100 - 46 - 3948=3, 1.8/3938=3...(21) HG3 LYS 44 + HE2 LYS 96 OK 45 100 - 46 - 3949=3, 1.8/3938=3...(21) HG2 LYS 96 - HE3 LYS 65 poor 7 62 - 11 - HG2 LYS 96 - HE2 LYS 65 poor 7 62 - 11 - HG12 ILE 56 - HE3 LYS 94 poor 6 55 - 12 - ~9551=5, 2.1/9543=2...(4) HG2 LYS 39 - HE2 LYS 44 lone 4 61 - 6 - HG2 LYS 39 - HE3 LYS 44 lone 4 61 - 6 - HG2 LYS 39 - HE3 LYS 96 lone 2 61 - 4 - HG2 LYS 39 - HE2 LYS 96 lone 2 61 - 4 - HG2 LYS 96 - HE3 LYS 94 lone 2 68 - 2 - HG3 LYS 44 - HE3 LYS 65 lone 2 63 - 2 - HG3 LYS 44 - HE2 LYS 65 lone 2 63 - 2 - HG3 LYS 44 - HE3 LYS 94 lone 1 68 - 2 - HG12 ILE 56 - HE2 LYS 96 lone 1 90 - 1 - HG12 ILE 56 - HE3 LYS 96 lone 1 90 - 1 - HB2 LEU 4 - HE3 LYS 96 lone 1 100 - 1 - HB2 LEU 4 - HE2 LYS 96 lone 1 100 - 1 - HB3 LEU 4 - HE3 LYS 96 lone 1 100 - 1 - HB3 LEU 4 - HE2 LYS 96 lone 1 100 - 1 - HG LEU 80 - HE3 LYS 94 lone 1 67 - 1 - HG12 ILE 56 - HE3 LYS 44 lone 1 90 - 1 - HG12 ILE 56 - HE2 LYS 44 lone 1 90 - 1 - HG LEU 4 - HE3 LYS 96 lone 1 84 - 1 - HG LEU 4 - HE2 LYS 96 lone 1 84 - 1 - HG3 LYS 17 - HE3 LYS 96 lone 1 94 - 1 - HG3 LYS 17 - HE2 LYS 96 lone 1 94 - 1 - HG3 LYS 17 - HE3 LYS 44 lone 1 94 - 1 - HG3 LYS 17 - HE2 LYS 44 lone 1 94 - 1 - HG LEU 80 - HE3 LYS 96 lone 1 100 - 1 - HG LEU 80 - HE2 LYS 96 lone 1 100 - 1 - HB3 LEU 63 - HE2 LYS 44 lone 1 87 - 1 - HB3 LEU 63 - HE3 LYS 44 lone 1 87 - 1 - HB3 LEU 4 - HE3 LYS 44 lone 1 100 - 1 - HB3 LEU 4 - HE2 LYS 44 lone 1 100 - 1 - HB2 LEU 4 - HE3 LYS 44 lone 1 100 - 1 - HB2 LEU 4 - HE2 LYS 44 lone 1 100 - 1 - HB3 LEU 63 - HE2 LYS 96 lone 0 87 - 1 - HB3 LEU 63 - HE3 LYS 96 lone 0 87 - 1 - HG3 ARG 30 - HE2 LYS 96 lone 0 81 - 1 - HG3 ARG 30 - HE3 LYS 96 lone 0 81 - 1 - HG LEU 80 - HE3 LYS 44 lone 0 100 - 0 - HG LEU 80 - HE2 LYS 44 lone 0 100 - 0 - HG3 ARG 30 - HE3 LYS 44 lone 0 81 - 1 - HG3 ARG 30 - HE2 LYS 44 lone 0 81 - 1 - HB3 LYS 61 - HE3 LYS 44 lone 0 98 - 0 - HB3 LYS 61 - HE2 LYS 44 lone 0 98 - 0 - HB3 LYS 61 - HE3 LYS 96 lone 0 98 - 0 - HB3 LYS 61 - HE2 LYS 96 lone 0 98 - 0 - HG LEU 4 - HE3 LYS 44 lone 0 84 - 0 - HG LEU 4 - HE2 LYS 44 lone 0 84 - 0 - HG12 ILE 56 - HE2 LYS 65 lone 0 50 - 1 - HG12 ILE 56 - HE3 LYS 65 lone 0 50 - 1 - HG LEU 80 - HE2 LYS 65 lone 0 62 - 1 - HG LEU 80 - HE3 LYS 65 lone 0 62 - 1 - HG3 LYS 17 - HE3 LYS 94 lone 0 59 - 1 - HB3 LEU 63 - HE2 LYS 65 lone 0 48 - 1 - HB3 LEU 63 - HE3 LYS 65 lone 0 48 - 1 - HG2 LYS 39 - HE3 LYS 94 lone 0 35 - 1 - HB2 LEU 4 - HE3 LYS 94 lone 0 68 - 0 - HB3 LEU 4 - HE3 LYS 94 lone 0 68 - 0 - HG3 LYS 17 - HE3 LYS 65 lone 0 54 - 0 - HG3 LYS 17 - HE2 LYS 65 lone 0 54 - 0 - HB3 GLN 83 - HE3 LYS 44 lone 0 65 - 0 - HB3 GLN 83 - HE2 LYS 44 lone 0 65 - 0 - HG2 LYS 39 - HE2 LYS 65 lone 0 31 - 1 - HG2 LYS 39 - HE3 LYS 65 lone 0 31 - 1 - HB3 LEU 4 - HE2 LYS 65 lone 0 63 - 0 - HB3 LEU 4 - HE3 LYS 65 lone 0 63 - 0 - HB2 LEU 4 - HE2 LYS 65 lone 0 63 - 0 - HB2 LEU 4 - HE3 LYS 65 lone 0 63 - 0 - HG3 ARG 30 - HE3 LYS 65 lone 0 44 - 0 - HG3 ARG 30 - HE2 LYS 65 lone 0 44 - 0 - HB3 GLN 83 - HE2 LYS 96 lone 0 65 - 0 - HB3 GLN 83 - HE3 LYS 96 lone 0 65 - 0 - HG3 ARG 30 - HE3 LYS 94 lone 0 48 - 0 - HB3 LYS 61 - HE3 LYS 94 lone 0 64 - 0 - HB3 LEU 63 - HE3 LYS 94 lone 0 53 - 0 - HB3 LYS 61 - HE3 LYS 65 lone 0 59 - 0 - HB3 LYS 61 - HE2 LYS 65 lone 0 59 - 0 - HG LEU 4 - HE3 LYS 94 lone 0 50 - 0 - HG LEU 4 - HE2 LYS 65 lone 0 46 - 0 - HG LEU 4 - HE3 LYS 65 lone 0 46 - 0 - HB3 GLN 83 - HE3 LYS 94 lone 0 37 - 0 - HB3 GLN 83 - HE3 LYS 65 lone 0 34 - 0 - HB3 GLN 83 - HE2 LYS 65 lone 0 34 - 0 - Peak 3976 from cnoeabs.peaks (1.70, 2.93, 41.78 ppm; 2.76 A): 6 out of 147 assignments used, quality = 1.00: HD2 LYS 44 + HE3 LYS 44 OK 90 100 - 90 - 3.0=81, 3959/1.8=6...(35) * HD2 LYS 44 + HE2 LYS 44 OK 90 100 - 90 - 3.0=81, 3959/1.8=6...(35) HD3 LYS 44 + HE2 LYS 44 OK 90 100 - 90 - 3.0=81, 3959/1.8=6...(35) HD3 LYS 44 + HE3 LYS 44 OK 90 100 - 90 - 3.0=81, 3959/1.8=6...(35) HD3 LYS 96 + HE2 LYS 96 OK 59 65 - 91 - 3.0=79, 1.8/6130=5...(40) HD3 LYS 96 + HE3 LYS 96 OK 59 65 - 91 - 3.0=79, 1.8/6130=5...(40) HD2 LYS 44 - HE3 LYS 96 OK 31 100 - 31 - 3958=3, 3959/1.8=2...(7) HD2 LYS 44 - HE2 LYS 96 OK 31 100 - 31 - 3959=3, 3959/1.8=2...(7) HD3 LYS 44 - HE2 LYS 96 OK 31 100 - 31 - 3959=3, 1.8/3959=2...(7) HD3 LYS 44 - HE3 LYS 96 OK 31 100 - 31 - 3959=3, 1.8/3959=2...(7) HD3 LYS 96 - HE3 LYS 44 OK 26 65 - 40 - 3.4/6099=2, 1.8/6130=2...(15) HD3 LYS 96 - HE2 LYS 44 OK 26 65 - 40 - 3.4/6099=2, 1.8/6130=2...(15) HG3 LYS 123 - HE3 LYS 44 lone 6 100 - 6 - HG3 LYS 123 - HE2 LYS 44 lone 6 100 - 6 - HB ILE 56 - HE3 LYS 94 lone 5 53 - 10 - ~9551=2, 10948/3.0=2...(5) HG3 LYS 39 - HE2 LYS 44 lone 5 100 - 5 - HG3 LYS 39 - HE3 LYS 44 lone 5 100 - 5 - HD3 LYS 39 - HE2 LYS 44 lone 4 99 - 4 - HD3 LYS 39 - HE3 LYS 44 lone 4 99 - 4 - HD2 LYS 39 - HE3 LYS 44 lone 4 99 - 4 - HD2 LYS 39 - HE2 LYS 44 lone 4 99 - 4 - HD2 LYS 20 - HE2 LYS 96 lone 4 84 - 5 - HD2 LYS 20 - HE3 LYS 96 lone 4 84 - 5 - HD3 LYS 20 - HE2 LYS 96 lone 4 81 - 5 - HD3 LYS 20 - HE3 LYS 96 lone 4 81 - 5 - HD2 LYS 73 - HE3 LYS 96 lone 4 73 - 5 - HD2 LYS 73 - HE2 LYS 96 lone 4 73 - 5 - HD3 LYS 73 - HE3 LYS 96 lone 4 70 - 5 - HD3 LYS 73 - HE2 LYS 96 lone 4 70 - 5 - HD3 LYS 43 - HE2 LYS 96 lone 3 70 - 4 - HD3 LYS 43 - HE3 LYS 96 lone 3 70 - 4 - HD3 LYS 39 - HE3 LYS 96 lone 3 99 - 3 - HD3 LYS 39 - HE2 LYS 96 lone 3 99 - 3 - HD2 LYS 39 - HE2 LYS 96 lone 3 99 - 3 - HD2 LYS 39 - HE3 LYS 96 lone 3 99 - 3 - HD3 LYS 96 - HE3 LYS 65 lone 2 34 - 7 - HD3 LYS 96 - HE2 LYS 65 lone 2 34 - 7 - HG3 LYS 39 - HE3 LYS 96 lone 2 100 - 2 - HG3 LYS 39 - HE2 LYS 96 lone 2 100 - 2 - HG3 LYS 123 - HE2 LYS 96 lone 2 100 - 2 - HG3 LYS 123 - HE3 LYS 96 lone 2 100 - 2 - HD3 LYS 43 - HE3 LYS 44 lone 2 70 - 3 - HD3 LYS 43 - HE2 LYS 44 lone 2 70 - 3 - HD2 LYS 73 - HE3 LYS 44 lone 2 73 - 3 - HD2 LYS 73 - HE2 LYS 44 lone 2 73 - 3 - HD3 LYS 73 - HE3 LYS 44 lone 2 70 - 3 - HD3 LYS 73 - HE2 LYS 44 lone 2 70 - 3 - HD2 LYS 40 - HE2 LYS 96 lone 1 61 - 2 - HD2 LYS 40 - HE3 LYS 96 lone 1 61 - 2 - HD2 LYS 20 - HE2 LYS 44 lone 1 84 - 1 - HD2 LYS 20 - HE3 LYS 44 lone 1 84 - 1 - HD3 LYS 44 - HE3 LYS 65 lone 1 62 - 2 - HD3 LYS 44 - HE2 LYS 65 lone 1 62 - 2 - HG3 LYS 123 - HE3 LYS 65 lone 1 62 - 2 - HG3 LYS 123 - HE2 LYS 65 lone 1 62 - 2 - HD2 LYS 44 - HE3 LYS 65 lone 1 63 - 2 - HD2 LYS 44 - HE2 LYS 65 lone 1 63 - 2 - HD3 LYS 20 - HE3 LYS 44 lone 1 81 - 1 - HD3 LYS 20 - HE2 LYS 44 lone 1 81 - 1 - HG3 LYS 123 - HE3 LYS 94 lone 1 68 - 1 - HD2 LYS 44 - HE3 LYS 94 lone 1 68 - 1 - HD3 LYS 44 - HE3 LYS 94 lone 1 68 - 1 - HB ILE 56 - HE2 LYS 96 lone 1 87 - 1 - HB ILE 56 - HE3 LYS 96 lone 1 87 - 1 - HD3 LYS 16 - HE2 LYS 44 lone 1 87 - 1 - HD3 LYS 16 - HE3 LYS 44 lone 1 87 - 1 - HD3 LYS 16 - HE2 LYS 96 lone 1 87 - 1 - HD3 LYS 16 - HE3 LYS 96 lone 1 87 - 1 - HD3 LYS 16 - HE3 LYS 65 lone 1 48 - 1 - HD3 LYS 16 - HE2 LYS 65 lone 1 48 - 1 - HD3 LYS 96 - HE3 LYS 94 lone 1 37 - 2 - HD2 LYS 16 - HE3 LYS 44 lone 1 77 - 1 - HD2 LYS 16 - HE2 LYS 44 lone 1 77 - 1 - HD2 LYS 16 - HE3 LYS 65 lone 1 41 - 1 - HD2 LYS 16 - HE2 LYS 65 lone 1 41 - 1 - HD2 LYS 16 - HE2 LYS 96 lone 1 77 - 1 - HD2 LYS 16 - HE3 LYS 96 lone 1 77 - 1 - HG12 ILE 71 - HE2 LYS 96 lone 0 97 - 1 - HG12 ILE 71 - HE3 LYS 96 lone 0 97 - 1 - HG12 ILE 71 - HE2 LYS 65 lone 0 58 - 1 - HG12 ILE 71 - HE3 LYS 65 lone 0 58 - 1 - HB ILE 56 - HE2 LYS 44 lone 0 87 - 0 - HB ILE 56 - HE3 LYS 44 lone 0 87 - 0 - HG3 LYS 39 - HE3 LYS 94 lone 0 68 - 1 - HG12 ILE 71 - HE2 LYS 44 lone 0 97 - 0 - HG12 ILE 71 - HE3 LYS 44 lone 0 97 - 0 - HB ILE 54 - HE3 LYS 96 lone 0 61 - 1 - HB ILE 54 - HE2 LYS 96 lone 0 61 - 1 - HD3 LYS 39 - HE3 LYS 94 lone 0 66 - 1 - HD2 LYS 40 - HE3 LYS 44 lone 0 61 - 1 - HD2 LYS 40 - HE2 LYS 44 lone 0 61 - 1 - HD2 LYS 39 - HE3 LYS 94 lone 0 65 - 1 - HB ILE 54 - HE2 LYS 44 lone 0 61 - 1 - HB ILE 54 - HE3 LYS 44 lone 0 61 - 1 - HG3 LYS 39 - HE2 LYS 65 lone 0 62 - 0 - HG3 LYS 39 - HE3 LYS 65 lone 0 62 - 0 - HG LEU 74 - HE3 LYS 44 lone 0 100 - 0 - HG LEU 74 - HE2 LYS 44 lone 0 100 - 0 - HD3 LYS 43 - HE3 LYS 94 lone 0 40 - 1 - HG LEU 74 - HE2 LYS 96 lone 0 100 - 0 - HG LEU 74 - HE3 LYS 96 lone 0 100 - 0 - HB3 LYS 106 - HE2 LYS 44 lone 0 81 - 0 - HB3 LYS 106 - HE3 LYS 44 lone 0 81 - 0 - HD3 LYS 39 - HE2 LYS 65 lone 0 61 - 0 - HD3 LYS 39 - HE3 LYS 65 lone 0 61 - 0 - HD2 LYS 39 - HE3 LYS 65 lone 0 60 - 0 - HD2 LYS 39 - HE2 LYS 65 lone 0 60 - 0 - HB3 LYS 106 - HE2 LYS 96 lone 0 81 - 0 - HB3 LYS 106 - HE3 LYS 96 lone 0 81 - 0 - HB ILE 54 - HE2 LYS 65 lone 0 31 - 1 - HB ILE 54 - HE3 LYS 65 lone 0 31 - 1 - HG12 ILE 71 - HE3 LYS 94 lone 0 63 - 0 - HB2 LYS 106 - HE2 LYS 44 lone 0 73 - 0 - HB2 LYS 106 - HE3 LYS 44 lone 0 73 - 0 - HB ILE 54 - HE3 LYS 94 lone 0 35 - 1 - HB ILE 56 - HE3 LYS 65 lone 0 48 - 0 - HB ILE 56 - HE2 LYS 65 lone 0 48 - 0 - HB2 LYS 106 - HE3 LYS 96 lone 0 73 - 0 - HB2 LYS 106 - HE2 LYS 96 lone 0 73 - 0 - HD2 LYS 20 - HE3 LYS 94 lone 0 50 - 0 - HD3 LYS 20 - HE3 LYS 94 lone 0 48 - 0 - HD2 LYS 20 - HE2 LYS 65 lone 0 46 - 0 - HD2 LYS 20 - HE3 LYS 65 lone 0 46 - 0 - HD3 LYS 16 - HE3 LYS 94 lone 0 53 - 0 - HD3 LYS 20 - HE3 LYS 65 lone 0 44 - 0 - HD3 LYS 20 - HE2 LYS 65 lone 0 44 - 0 - HG LEU 74 - HE3 LYS 94 lone 0 67 - 0 - HD2 LYS 40 - HE3 LYS 65 lone 0 31 - 1 - HD2 LYS 40 - HE2 LYS 65 lone 0 31 - 1 - HB3 LYS 106 - HE3 LYS 94 lone 0 48 - 0 - HD2 LYS 16 - HE3 LYS 94 lone 0 45 - 0 - HG LEU 74 - HE3 LYS 65 lone 0 62 - 0 - HG LEU 74 - HE2 LYS 65 lone 0 62 - 0 - HB2 LYS 106 - HE3 LYS 94 lone 0 43 - 0 - HD2 LYS 73 - HE3 LYS 94 lone 0 43 - 0 - HD3 LYS 43 - HE3 LYS 65 lone 0 36 - 0 - HD3 LYS 43 - HE2 LYS 65 lone 0 36 - 0 - HD2 LYS 40 - HE3 LYS 94 lone 0 35 - 0 - HD2 LYS 73 - HE2 LYS 65 lone 0 39 - 0 - HD2 LYS 73 - HE3 LYS 65 lone 0 39 - 0 - HD3 LYS 73 - HE3 LYS 94 lone 0 40 - 0 - HD3 LYS 73 - HE3 LYS 65 lone 0 36 - 0 - HD3 LYS 73 - HE2 LYS 65 lone 0 36 - 0 - HB3 LYS 106 - HE3 LYS 65 lone 0 44 - 0 - HB3 LYS 106 - HE2 LYS 65 lone 0 44 - 0 - HB2 LYS 106 - HE3 LYS 65 lone 0 39 - 0 - HB2 LYS 106 - HE2 LYS 65 lone 0 39 - 0 - Peak 3977 from cnoeabs.peaks (1.70, 2.93, 41.78 ppm; 2.76 A): 4 out of 126 assignments used, quality = 1.00: HD3 LYS 44 + HE3 LYS 44 OK 90 100 - 90 - 3.0=81, 3958/1.8=6...(35) * HD3 LYS 44 + HE2 LYS 44 OK 90 100 - 90 - 3.0=81, 3958/1.8=6...(35) HD2 LYS 44 + HE2 LYS 44 OK 90 100 - 90 - 3.0=81, 3958/1.8=6...(35) HD2 LYS 44 + HE3 LYS 44 OK 90 100 - 90 - 3.0=81, 3958/1.8=6...(35) HD3 LYS 44 - HE2 LYS 96 OK 31 100 - 31 - 3959=3, 1.8/3958=2...(7) HD3 LYS 44 - HE3 LYS 96 OK 31 100 - 31 - 3959=3, 1.8/3958=2...(7) HD2 LYS 44 - HE3 LYS 96 OK 31 100 - 31 - 3958=3, 3958/1.8=2...(7) HD2 LYS 44 - HE2 LYS 96 OK 31 100 - 31 - 3958=3, 3958/1.8=2...(7) HG3 LYS 123 - HE3 LYS 44 lone 6 99 - 6 - HG3 LYS 123 - HE2 LYS 44 lone 6 99 - 6 - HG3 LYS 39 - HE2 LYS 44 lone 5 99 - 5 - HG3 LYS 39 - HE3 LYS 44 lone 5 99 - 5 - HB ILE 56 - HE3 LYS 94 lone 4 48 - 9 - ~9551=2, 10948/3.0=2...(5) HD3 LYS 39 - HE3 LYS 44 lone 4 100 - 4 - HD3 LYS 39 - HE2 LYS 44 lone 4 100 - 4 - HD2 LYS 39 - HE2 LYS 44 lone 4 100 - 4 - HD2 LYS 39 - HE3 LYS 44 lone 4 100 - 4 - HD2 LYS 20 - HE2 LYS 96 lone 4 77 - 5 - HD2 LYS 20 - HE3 LYS 96 lone 4 77 - 5 - HD3 LYS 20 - HE2 LYS 96 lone 4 73 - 5 - HD3 LYS 20 - HE3 LYS 96 lone 4 73 - 5 - HD2 LYS 73 - HE3 LYS 96 lone 3 65 - 5 - HD2 LYS 73 - HE2 LYS 96 lone 3 65 - 5 - HD3 LYS 73 - HE3 LYS 96 lone 3 61 - 5 - HD3 LYS 73 - HE2 LYS 96 lone 3 61 - 5 - HD3 LYS 39 - HE2 LYS 96 lone 3 100 - 3 - HD3 LYS 39 - HE3 LYS 96 lone 3 100 - 3 - HD2 LYS 39 - HE3 LYS 96 lone 3 100 - 3 - HD2 LYS 39 - HE2 LYS 96 lone 3 100 - 3 - HD3 LYS 43 - HE2 LYS 96 lone 3 61 - 4 - HD3 LYS 43 - HE3 LYS 96 lone 3 61 - 4 - HG3 LYS 39 - HE2 LYS 96 lone 2 99 - 2 - HG3 LYS 39 - HE3 LYS 96 lone 2 99 - 2 - HG3 LYS 123 - HE2 LYS 96 lone 2 99 - 2 - HG3 LYS 123 - HE3 LYS 96 lone 2 99 - 2 - HD2 LYS 73 - HE2 LYS 44 lone 2 65 - 3 - HD2 LYS 73 - HE3 LYS 44 lone 2 65 - 3 - HD3 LYS 43 - HE2 LYS 44 lone 2 61 - 3 - HD3 LYS 43 - HE3 LYS 44 lone 2 61 - 3 - HD3 LYS 73 - HE3 LYS 44 lone 2 61 - 3 - HD3 LYS 73 - HE2 LYS 44 lone 2 61 - 3 - HD3 LYS 44 - HE2 LYS 65 lone 1 63 - 2 - HD3 LYS 44 - HE3 LYS 65 lone 1 63 - 2 - HD2 LYS 44 - HE3 LYS 65 lone 1 62 - 2 - HD2 LYS 44 - HE2 LYS 65 lone 1 62 - 2 - HG3 LYS 123 - HE2 LYS 65 lone 1 61 - 2 - HG3 LYS 123 - HE3 LYS 65 lone 1 61 - 2 - HD2 LYS 20 - HE3 LYS 44 lone 1 77 - 1 - HD2 LYS 20 - HE2 LYS 44 lone 1 77 - 1 - HG3 LYS 123 - HE3 LYS 94 lone 1 66 - 1 - HD3 LYS 20 - HE2 LYS 44 lone 1 73 - 1 - HD3 LYS 20 - HE3 LYS 44 lone 1 73 - 1 - HD3 LYS 44 - HE3 LYS 94 lone 1 68 - 1 - HD2 LYS 44 - HE3 LYS 94 lone 1 68 - 1 - HB ILE 56 - HE3 LYS 96 lone 1 81 - 1 - HB ILE 56 - HE2 LYS 96 lone 1 81 - 1 - HD3 LYS 16 - HE3 LYS 44 lone 1 81 - 1 - HD3 LYS 16 - HE2 LYS 44 lone 1 81 - 1 - HD3 LYS 16 - HE2 LYS 96 lone 1 81 - 1 - HD3 LYS 16 - HE3 LYS 96 lone 1 81 - 1 - HD3 LYS 16 - HE3 LYS 65 lone 1 44 - 1 - HD3 LYS 16 - HE2 LYS 65 lone 1 44 - 1 - HD2 LYS 16 - HE2 LYS 44 lone 1 70 - 1 - HD2 LYS 16 - HE3 LYS 44 lone 1 70 - 1 - HD2 LYS 16 - HE2 LYS 96 lone 0 70 - 1 - HD2 LYS 16 - HE3 LYS 96 lone 0 70 - 1 - HG12 ILE 71 - HE3 LYS 96 lone 0 94 - 0 - HG12 ILE 71 - HE2 LYS 96 lone 0 94 - 0 - HD2 LYS 16 - HE3 LYS 65 lone 1 36 - 1 - HD2 LYS 16 - HE2 LYS 65 lone 1 36 - 1 - HG12 ILE 71 - HE3 LYS 65 lone 0 54 - 1 - HG12 ILE 71 - HE2 LYS 65 lone 0 54 - 1 - HG3 LYS 39 - HE3 LYS 94 lone 0 66 - 1 - HG12 ILE 71 - HE2 LYS 44 lone 0 94 - 0 - HG12 ILE 71 - HE3 LYS 44 lone 0 94 - 0 - HB ILE 56 - HE2 LYS 44 lone 0 81 - 0 - HB ILE 56 - HE3 LYS 44 lone 0 81 - 0 - HD3 LYS 39 - HE3 LYS 94 lone 0 68 - 1 - HD2 LYS 39 - HE3 LYS 94 lone 0 67 - 1 - HG LEU 74 - HE2 LYS 44 lone 0 100 - 0 - HG LEU 74 - HE3 LYS 44 lone 0 100 - 0 - HG3 LYS 39 - HE2 LYS 65 lone 0 61 - 0 - HG3 LYS 39 - HE3 LYS 65 lone 0 61 - 0 - HB3 LYS 106 - HE2 LYS 44 lone 0 87 - 0 - HB3 LYS 106 - HE3 LYS 44 lone 0 87 - 0 - HB3 LYS 106 - HE2 LYS 96 lone 0 87 - 0 - HB3 LYS 106 - HE3 LYS 96 lone 0 87 - 0 - HG LEU 74 - HE2 LYS 96 lone 0 100 - 0 - HG LEU 74 - HE3 LYS 96 lone 0 100 - 0 - HD3 LYS 39 - HE2 LYS 65 lone 0 62 - 0 - HD3 LYS 39 - HE3 LYS 65 lone 0 62 - 0 - HB2 LYS 106 - HE3 LYS 44 lone 0 81 - 0 - HB2 LYS 106 - HE2 LYS 44 lone 0 81 - 0 - HD2 LYS 39 - HE3 LYS 65 lone 0 62 - 0 - HD2 LYS 39 - HE2 LYS 65 lone 0 62 - 0 - HB2 LYS 106 - HE2 LYS 96 lone 0 81 - 0 - HB2 LYS 106 - HE3 LYS 96 lone 0 81 - 0 - HD3 LYS 43 - HE3 LYS 94 lone 0 35 - 1 - HG12 ILE 71 - HE3 LYS 94 lone 0 59 - 0 - HB ILE 56 - HE2 LYS 65 lone 0 44 - 0 - HB ILE 56 - HE3 LYS 65 lone 0 44 - 0 - HD2 LYS 20 - HE3 LYS 94 lone 0 45 - 0 - HB3 LYS 106 - HE3 LYS 94 lone 0 53 - 0 - HD3 LYS 20 - HE3 LYS 94 lone 0 43 - 0 - HG LEU 74 - HE3 LYS 94 lone 0 68 - 0 - HD2 LYS 20 - HE3 LYS 65 lone 0 41 - 0 - HD2 LYS 20 - HE2 LYS 65 lone 0 41 - 0 - HD3 LYS 16 - HE3 LYS 94 lone 0 48 - 0 - HD3 LYS 20 - HE2 LYS 65 lone 0 39 - 0 - HD3 LYS 20 - HE3 LYS 65 lone 0 39 - 0 - HB2 LYS 106 - HE3 LYS 94 lone 0 48 - 0 - HG LEU 74 - HE2 LYS 65 lone 0 63 - 0 - HG LEU 74 - HE3 LYS 65 lone 0 63 - 0 - HD2 LYS 16 - HE3 LYS 94 lone 0 40 - 0 - HB3 LYS 106 - HE3 LYS 65 lone 0 48 - 0 - HB3 LYS 106 - HE2 LYS 65 lone 0 48 - 0 - HD2 LYS 73 - HE3 LYS 94 lone 0 37 - 0 - HB2 LYS 106 - HE2 LYS 65 lone 0 44 - 0 - HB2 LYS 106 - HE3 LYS 65 lone 0 44 - 0 - HD3 LYS 43 - HE2 LYS 65 lone 0 31 - 0 - HD3 LYS 43 - HE3 LYS 65 lone 0 31 - 0 - HD2 LYS 73 - HE3 LYS 65 lone 0 34 - 0 - HD2 LYS 73 - HE2 LYS 65 lone 0 34 - 0 - HD3 LYS 73 - HE3 LYS 94 lone 0 35 - 0 - HD3 LYS 73 - HE3 LYS 65 lone 0 31 - 0 - HD3 LYS 73 - HE2 LYS 65 lone 0 31 - 0 - Peak 3978 from cnoeabs.peaks (2.93, 2.93, 41.78 ppm; diagonal): 5 out of 7 assignments used, quality = 1.00: HE3 LYS 96 + HE3 LYS 96 OK 100 100 - 100 HE2 LYS 96 + HE2 LYS 96 OK 100 100 - 100 * HE2 LYS 44 + HE2 LYS 44 OK 100 100 - 100 HE3 LYS 44 + HE3 LYS 44 OK 100 100 - 100 HE3 LYS 94 + HE3 LYS 94 OK 50 50 - 100 HE2 LYS 65 - HE2 LYS 65 OK 44 44 - 100 HE3 LYS 65 - HE3 LYS 65 OK 44 44 - 100 Peak 3979 from cnoeabs.peaks (2.93, 2.93, 41.78 ppm; diagonal): 5 out of 7 assignments used, quality = 1.00: HE3 LYS 96 + HE3 LYS 96 OK 100 100 - 100 HE2 LYS 96 + HE2 LYS 96 OK 100 100 - 100 HE2 LYS 44 + HE2 LYS 44 OK 100 100 - 100 HE3 LYS 44 + HE3 LYS 44 OK 100 100 - 100 HE3 LYS 94 + HE3 LYS 94 OK 50 50 - 100 HE2 LYS 65 - HE2 LYS 65 OK 44 44 - 100 HE3 LYS 65 - HE3 LYS 65 OK 44 44 - 100 Reference assignment not found: HE3 LYS 44 - HE2 LYS 44 Peak 3981 from cnoeabs.peaks (4.06, 2.93, 41.78 ppm; 4.07 A): 8 out of 56 assignments used, quality = 1.00: HA LYS 96 + HE3 LYS 96 OK 84 99 - 84 - 6.3=27, 6076/3.8=15...(33) HA LYS 96 + HE2 LYS 96 OK 84 99 - 84 - 6.3=27, 6076/3.8=15...(33) HA LYS 44 + HE2 LYS 44 OK 80 100 - 80 - 6.5=25, 3905/3.7=13...(35) * HA LYS 44 + HE3 LYS 44 OK 80 100 - 80 - 6.5=25, 3905/3.7=13...(35) HA LYS 96 + HE2 LYS 44 OK 66 99 - 66 - 6079=9, 6075/3.7=8...(37) HA LYS 96 + HE3 LYS 44 OK 66 99 - 66 - 6079=9, 6075/3.7=8...(37) HA LYS 44 + HE2 LYS 96 OK 50 100 - 51 - 3905/3.8=8, 3904/3.8=5...(25) HA LYS 44 + HE3 LYS 96 OK 50 100 - 51 - 3905/3.8=8, 3904/3.8=5...(25) HA GLU 91 - HE3 LYS 94 poor 10 53 - 19 - 8195/4.8=5, 8194/4.8=5...(5) HA LYS 96 - HE3 LYS 94 poor 9 66 - 13 - 8194/4.8=3, 8196/4.8=3...(5) HA GLU 91 - HE2 LYS 96 lone 7 87 - 8 - 2.9/10077=1, ~10077=1 HA GLU 91 - HE3 LYS 96 lone 7 87 - 8 - 2.9/10077=1, ~10077=1 HA LYS 96 - HE3 LYS 65 poor 6 61 - 10 - 3.0/6099=1, 6079=1 HA LYS 96 - HE2 LYS 65 poor 6 61 - 10 - 3.0/6099=1, 6079=1 HA GLU 91 - HE3 LYS 44 lone 5 87 - 6 - HA GLU 91 - HE2 LYS 44 lone 5 87 - 6 - HA GLU 69 - HE3 LYS 44 lone 4 98 - 4 - HA GLU 69 - HE2 LYS 44 lone 4 98 - 4 - HA LYS 44 - HE3 LYS 94 lone 4 68 - 6 - 8194/4.8=1, 8196/4.8=1 HA2 GLY 125 - HE3 LYS 96 lone 3 94 - 3 - HA2 GLY 125 - HE2 LYS 96 lone 3 94 - 3 - HA3 GLY 125 - HE2 LYS 96 lone 3 100 - 3 - HA3 GLY 125 - HE3 LYS 96 lone 3 100 - 3 - HA GLU 69 - HE3 LYS 65 lone 3 59 - 5 - HA GLU 69 - HE2 LYS 65 lone 3 59 - 5 - HA GLU 69 - HE3 LYS 96 lone 3 98 - 3 - HA GLU 69 - HE2 LYS 96 lone 3 98 - 3 - HA2 GLY 125 - HE3 LYS 44 lone 2 94 - 3 - HA2 GLY 125 - HE2 LYS 44 lone 2 94 - 3 - HA3 GLY 125 - HE3 LYS 44 lone 2 100 - 2 - HA3 GLY 125 - HE2 LYS 44 lone 2 100 - 2 - HA LYS 44 - HE3 LYS 65 lone 2 63 - 3 - HA LYS 44 - HE2 LYS 65 lone 2 63 - 3 - HA GLU 37 - HE2 LYS 96 lone 2 100 - 2 - HA GLU 37 - HE3 LYS 96 lone 2 100 - 2 - HA GLU 69 - HE3 LYS 94 lone 2 64 - 2 - HA GLU 37 - HE3 LYS 44 lone 1 100 - 1 - HA GLU 37 - HE2 LYS 44 lone 1 100 - 1 - HA SER 35 - HE2 LYS 96 lone 1 77 - 2 - HA SER 35 - HE3 LYS 96 lone 1 77 - 2 - HA GLU 37 - HE3 LYS 94 lone 1 68 - 2 - HA3 GLY 125 - HE3 LYS 94 lone 1 68 - 2 - HA SER 35 - HE3 LYS 44 lone 1 77 - 1 - HA SER 35 - HE2 LYS 44 lone 1 77 - 1 - HA GLU 91 - HE2 LYS 65 lone 1 48 - 1 - HA GLU 91 - HE3 LYS 65 lone 1 48 - 1 - HA GLU 37 - HE3 LYS 65 lone 1 62 - 1 - HA GLU 37 - HE2 LYS 65 lone 1 62 - 1 - HA3 GLY 125 - HE2 LYS 65 lone 0 62 - 1 - HA3 GLY 125 - HE3 LYS 65 lone 0 62 - 1 - HA2 GLY 125 - HE2 LYS 65 lone 0 54 - 1 - HA2 GLY 125 - HE3 LYS 65 lone 0 54 - 1 - HA2 GLY 125 - HE3 LYS 94 lone 0 59 - 1 - HA SER 35 - HE3 LYS 65 lone 0 41 - 1 - HA SER 35 - HE2 LYS 65 lone 0 41 - 1 - HA SER 35 - HE3 LYS 94 lone 0 45 - 1 - Peak 3982 from cnoeabs.peaks (1.91, 2.93, 41.78 ppm; 3.41 A): 12 out of 133 assignments used, quality = 1.00: * HB2 LYS 44 + HE3 LYS 44 OK 82 100 - 82 - 5.0=32, 3915/3.7=5...(58) HB2 LYS 44 + HE2 LYS 44 OK 82 100 - 82 - 5.0=32, 3915/3.7=5...(58) HB3 LYS 44 + HE2 LYS 44 OK 81 99 - 82 - 5.0=32, 3915/3.7=5...(57) HB3 LYS 44 + HE3 LYS 44 OK 81 99 - 82 - 5.0=32, 3915/3.7=5...(57) HB2 LYS 96 + HE2 LYS 96 OK 78 92 - 85 - 4.9=34, 1.8/6099=6...(57) HB2 LYS 96 + HE3 LYS 96 OK 78 92 - 85 - 4.9=34, 1.8/6099=6...(57) HB2 LYS 96 + HE2 LYS 44 OK 56 92 - 61 - 1.8/6100=5, 3.0/6079=4...(42) HB2 LYS 96 + HE3 LYS 44 OK 56 92 - 61 - 1.8/6100=5, 3.0/6079=4...(42) HB2 LYS 44 + HE3 LYS 96 OK 50 100 - 51 - 3.0/3909=3, 2.9/3938=2...(29) HB2 LYS 44 + HE2 LYS 96 OK 50 100 - 51 - 3.0/3909=3, 2.9/3938=2...(29) HB3 LYS 44 + HE2 LYS 96 OK 49 99 - 50 - 3.0/3909=3, 2.9/3939=2...(29) HB3 LYS 44 + HE3 LYS 96 OK 49 99 - 50 - 3.0/3909=3, 2.9/3939=2...(29) HB2 LYS 115 - HE2 LYS 65 OK 13 36 - 35 - ~6784=2, ~6774=2...(7) HB2 LYS 115 - HE3 LYS 65 OK 13 36 - 35 - ~6784=2, ~6774=2...(7) HB2 LYS 43 - HE2 LYS 96 OK 12 99 - 12 - 4.7/1290=1 HB2 LYS 43 - HE3 LYS 96 OK 12 99 - 12 - 4.7/1290=1 HB2 LYS 43 - HE2 LYS 44 OK 11 99 - 11 - 4.7/1291=2 HB2 LYS 43 - HE3 LYS 44 OK 11 99 - 11 - 4.7/1291=2 HB3 LYS 43 - HE3 LYS 96 OK 10 92 - 11 - 4.7/1291=1 HB3 LYS 43 - HE2 LYS 96 OK 10 92 - 11 - 4.7/1291=1 HB3 LYS 43 - HE3 LYS 44 poor 10 92 - 11 - 4.7/1291=2 HB3 LYS 43 - HE2 LYS 44 poor 10 92 - 11 - 4.7/1291=2 HB3 LYS 123 - HE3 LYS 44 lone 9 100 - 10 - HB3 LYS 123 - HE2 LYS 44 lone 9 100 - 10 - HB2 ARG 95 - HE2 LYS 96 lone 8 81 - 10 - 7789/7.5=2, 8327/6.3=2, ~6020=1 HB2 ARG 95 - HE3 LYS 96 lone 8 81 - 10 - 7789/7.5=2, 8327/6.3=2, ~6020=1 HB2 LYS 73 - HE3 LYS 96 poor 7 73 - 10 - HB2 LYS 73 - HE2 LYS 96 poor 7 73 - 10 - HB3 LYS 73 - HE3 LYS 96 lone 7 70 - 10 - HB3 LYS 73 - HE2 LYS 96 lone 7 70 - 10 - HB2 LYS 96 - HE3 LYS 65 poor 6 52 - 12 - HB2 LYS 96 - HE2 LYS 65 poor 6 52 - 12 - HB2 LYS 43 - HE3 LYS 94 lone 3 66 - 5 - ~11106=2, ~8085=1 HB2 LYS 73 - HE3 LYS 44 lone 3 73 - 4 - HB2 LYS 73 - HE2 LYS 44 lone 3 73 - 4 - HB3 LYS 123 - HE3 LYS 96 lone 3 100 - 3 - HB3 LYS 123 - HE2 LYS 96 lone 3 100 - 3 - HB3 LYS 73 - HE2 LYS 44 lone 3 70 - 4 - HB3 LYS 73 - HE3 LYS 44 lone 3 70 - 4 - HB3 LYS 43 - HE3 LYS 94 lone 3 57 - 5 - ~11106=2, ~8085=1 HB2 LEU 81 - HE3 LYS 65 lone 3 56 - 5 - HB2 LEU 81 - HE2 LYS 65 lone 3 56 - 5 - HB2 LEU 45 - HE2 LYS 44 lone 2 97 - 2 - HB2 LEU 45 - HE3 LYS 44 lone 2 97 - 2 - HB2 LEU 45 - HE3 LYS 96 lone 2 97 - 2 - HB2 LEU 45 - HE2 LYS 96 lone 2 97 - 2 - HB3 LYS 123 - HE3 LYS 65 lone 2 62 - 3 - HB3 LYS 123 - HE2 LYS 65 lone 2 62 - 3 - HB2 LYS 44 - HE3 LYS 65 lone 2 63 - 3 - HB2 LYS 44 - HE2 LYS 65 lone 2 63 - 3 - HB3 LYS 44 - HE2 LYS 65 lone 2 60 - 3 - HB3 LYS 44 - HE3 LYS 65 lone 2 60 - 3 - HB2 LYS 44 - HE3 LYS 94 lone 2 68 - 2 - HB2 LYS 49 - HE2 LYS 65 lone 2 48 - 3 - HB2 LYS 49 - HE3 LYS 65 lone 2 48 - 3 - HB3 LYS 44 - HE3 LYS 94 lone 2 65 - 2 - HB2 ARG 95 - HE2 LYS 44 lone 2 81 - 2 - HB2 ARG 95 - HE3 LYS 44 lone 2 81 - 2 - HB2 LYS 96 - HE3 LYS 94 lone 2 57 - 3 - HB3 LYS 123 - HE3 LYS 94 lone 1 67 - 2 - HB2 GLU 128 - HE2 LYS 96 lone 1 92 - 1 - HB2 GLU 128 - HE3 LYS 96 lone 1 92 - 1 - HB3 LYS 17 - HE2 LYS 96 lone 1 90 - 1 - HB3 LYS 17 - HE3 LYS 96 lone 1 90 - 1 - HB2 LEU 81 - HE3 LYS 94 lone 1 61 - 1 - HB2 LYS 115 - HE2 LYS 96 lone 1 70 - 1 - HB2 LYS 115 - HE3 LYS 96 lone 1 70 - 1 - HB2 GLU 128 - HE2 LYS 44 lone 1 92 - 1 - HB2 GLU 128 - HE3 LYS 44 lone 1 92 - 1 - HB2 LYS 115 - HE3 LYS 94 lone 1 40 - 1 - HB ILE 71 - HE2 LYS 96 lone 1 77 - 1 - HB ILE 71 - HE3 LYS 96 lone 1 77 - 1 - HB ILE 71 - HE3 LYS 44 lone 1 77 - 1 - HB ILE 71 - HE2 LYS 44 lone 1 77 - 1 - HB2 LYS 115 - HE3 LYS 44 lone 1 70 - 1 - HB2 LYS 115 - HE2 LYS 44 lone 1 70 - 1 - HB3 LYS 17 - HE2 LYS 44 lone 0 90 - 1 - HB3 LYS 17 - HE3 LYS 44 lone 0 90 - 1 - HB2 LEU 81 - HE2 LYS 44 lone 0 96 - 0 - HB2 LEU 81 - HE3 LYS 44 lone 0 96 - 0 - HB2 LEU 81 - HE3 LYS 96 lone 0 96 - 0 - HB2 LEU 81 - HE2 LYS 96 lone 0 96 - 0 - HB ILE 71 - HE3 LYS 65 lone 0 41 - 1 - HB ILE 71 - HE2 LYS 65 lone 0 41 - 1 - HB2 LYS 49 - HE2 LYS 96 lone 0 87 - 0 - HB2 LYS 49 - HE3 LYS 96 lone 0 87 - 0 - HB ILE 15 - HE3 LYS 44 lone 0 99 - 0 - HB ILE 15 - HE2 LYS 44 lone 0 99 - 0 - HG2 MET 121 - HE2 LYS 44 lone 0 98 - 0 - HG2 MET 121 - HE3 LYS 44 lone 0 98 - 0 - HG2 MET 121 - HE3 LYS 96 lone 0 98 - 0 - HG2 MET 121 - HE2 LYS 96 lone 0 98 - 0 - HB2 LYS 43 - HE2 LYS 65 lone 0 61 - 1 - HB2 LYS 43 - HE3 LYS 65 lone 0 61 - 1 - HB2 LYS 49 - HE3 LYS 44 lone 0 87 - 0 - HB2 LYS 49 - HE2 LYS 44 lone 0 87 - 0 - HB ILE 15 - HE2 LYS 96 lone 0 99 - 0 - HB ILE 15 - HE3 LYS 96 lone 0 99 - 0 - HB2 LYS 49 - HE3 LYS 94 lone 0 53 - 1 - HB3 LYS 43 - HE3 LYS 65 lone 0 52 - 1 - HB3 LYS 43 - HE2 LYS 65 lone 0 52 - 1 - HB ILE 71 - HE3 LYS 94 lone 0 45 - 1 - HG2 MET 121 - HE3 LYS 65 lone 0 59 - 1 - HG2 MET 121 - HE2 LYS 65 lone 0 59 - 1 - HB3 LYS 17 - HE3 LYS 94 lone 0 55 - 1 - HB ILE 15 - HE3 LYS 94 lone 0 66 - 0 - HB2 LEU 45 - HE3 LYS 94 lone 0 63 - 0 - HB ILE 7 - HE3 LYS 96 lone 0 61 - 0 - HB ILE 7 - HE2 LYS 96 lone 0 61 - 0 - HG2 MET 121 - HE3 LYS 94 lone 0 64 - 0 - HB ILE 7 - HE3 LYS 44 lone 0 61 - 0 - HB ILE 7 - HE2 LYS 44 lone 0 61 - 0 - HB ILE 15 - HE2 LYS 65 lone 0 61 - 0 - HB ILE 15 - HE3 LYS 65 lone 0 61 - 0 - HB3 LYS 17 - HE3 LYS 65 lone 0 50 - 0 - HB3 LYS 17 - HE2 LYS 65 lone 0 50 - 0 - HB2 GLU 128 - HE3 LYS 94 lone 0 57 - 0 - HB2 ARG 95 - HE3 LYS 94 lone 0 48 - 0 - HB2 ARG 95 - HE2 LYS 65 lone 0 44 - 0 - HB2 ARG 95 - HE3 LYS 65 lone 0 44 - 0 - HB2 LYS 73 - HE3 LYS 65 lone 0 39 - 1 - HB2 LYS 73 - HE2 LYS 65 lone 0 39 - 1 - HB2 LEU 45 - HE2 LYS 65 lone 0 58 - 0 - HB2 LEU 45 - HE3 LYS 65 lone 0 58 - 0 - HB2 LYS 73 - HE3 LYS 94 lone 0 43 - 0 - HB2 GLU 128 - HE2 LYS 65 lone 0 52 - 0 - HB2 GLU 128 - HE3 LYS 65 lone 0 52 - 0 - HB3 LYS 73 - HE3 LYS 94 lone 0 40 - 0 - HB3 LYS 73 - HE2 LYS 65 lone 0 36 - 0 - HB3 LYS 73 - HE3 LYS 65 lone 0 36 - 0 - HB ILE 7 - HE3 LYS 94 lone 0 35 - 0 - HB ILE 7 - HE2 LYS 65 lone 0 31 - 0 - HB ILE 7 - HE3 LYS 65 lone 0 31 - 0 - Peak 3983 from cnoeabs.peaks (1.91, 2.93, 41.78 ppm; 3.41 A): 12 out of 140 assignments used, quality = 1.00: HB2 LYS 96 + HE3 LYS 96 OK 84 99 - 85 - 4.9=34, 1.8/6100=6...(57) HB2 LYS 96 + HE2 LYS 96 OK 84 99 - 85 - 4.9=34, 1.8/6100=6...(57) HB3 LYS 44 + HE2 LYS 44 OK 82 100 - 82 - 5.0=32, 3915/3.7=5...(57) * HB3 LYS 44 + HE3 LYS 44 OK 82 100 - 82 - 5.0=32, 3915/3.7=5...(57) HB2 LYS 44 + HE2 LYS 44 OK 81 99 - 82 - 5.0=32, 3915/3.7=5...(58) HB2 LYS 44 + HE3 LYS 44 OK 81 99 - 82 - 5.0=32, 3915/3.7=5...(58) HB2 LYS 96 + HE3 LYS 44 OK 60 99 - 61 - 1.8/6100=5, 3.0/6079=4...(42) HB2 LYS 96 + HE2 LYS 44 OK 60 99 - 61 - 1.8/6100=5, 3.0/6079=4...(42) HB2 LYS 44 + HE2 LYS 96 OK 50 99 - 51 - 3.0/3909=3, 2.9/3938=2...(29) HB2 LYS 44 + HE3 LYS 96 OK 50 99 - 51 - 3.0/3909=3, 2.9/3938=2...(29) HB3 LYS 44 + HE2 LYS 96 OK 49 100 - 50 - 3.0/3909=3, 2.9/3938=2...(29) HB3 LYS 44 + HE3 LYS 96 OK 49 100 - 50 - 3.0/3909=3, 2.9/3938=2...(29) HB2 LYS 43 - HE3 LYS 96 OK 12 100 - 12 - 4.7/1290=1 HB2 LYS 43 - HE2 LYS 96 OK 12 100 - 12 - 4.7/1290=1 HB3 LYS 43 - HE2 LYS 96 OK 11 99 - 11 - 4.7/1291=1 HB3 LYS 43 - HE3 LYS 96 OK 11 99 - 11 - 4.7/1291=1 HB2 LYS 43 - HE3 LYS 44 OK 11 100 - 11 - 4.7/1291=2 HB2 LYS 43 - HE2 LYS 44 OK 11 100 - 11 - 4.7/1291=2 HB3 LYS 43 - HE3 LYS 44 OK 11 99 - 11 - 4.7/1291=2 HB3 LYS 43 - HE2 LYS 44 OK 11 99 - 11 - 4.7/1291=2 HB2 ARG 95 - HE3 LYS 96 poor 10 94 - 10 - 7789/7.5=2, 8327/6.3=2, ~6020=1 HB2 ARG 95 - HE2 LYS 96 poor 10 94 - 10 - 7789/7.5=2, 8327/6.3=2, ~6020=1 HB2 LYS 73 - HE3 LYS 96 poor 9 90 - 10 - HB2 LYS 73 - HE2 LYS 96 poor 9 90 - 10 - HB3 LYS 123 - HE3 LYS 44 lone 9 96 - 9 - HB3 LYS 123 - HE2 LYS 44 lone 9 96 - 9 - HB3 LYS 73 - HE3 LYS 96 poor 9 87 - 10 - HB3 LYS 73 - HE2 LYS 96 poor 9 87 - 10 - HB2 LYS 96 - HE3 LYS 65 poor 7 60 - 12 - HB2 LYS 96 - HE2 LYS 65 poor 7 60 - 12 - HB3 LYS 20 - HE2 LYS 96 lone 7 73 - 9 - HB3 LYS 20 - HE3 LYS 96 lone 7 73 - 9 - HB2 LYS 20 - HE2 LYS 96 lone 7 73 - 9 - HB2 LYS 20 - HE3 LYS 96 lone 7 73 - 9 - HB2 LYS 73 - HE3 LYS 44 lone 4 90 - 4 - HB2 LYS 73 - HE2 LYS 44 lone 4 90 - 4 - HB3 LYS 73 - HE3 LYS 44 lone 4 87 - 4 - HB3 LYS 73 - HE2 LYS 44 lone 4 87 - 4 - HB2 LYS 43 - HE3 LYS 94 lone 4 68 - 5 - ~11106=2, ~8085=1 HB3 LYS 43 - HE3 LYS 94 lone 3 65 - 5 - ~11106=2, ~8085=1 HB3 LYS 123 - HE3 LYS 96 lone 3 96 - 3 - HB3 LYS 123 - HE2 LYS 96 lone 3 96 - 3 - HB2 LEU 45 - HE3 LYS 44 lone 2 100 - 2 - HB2 LEU 45 - HE2 LYS 44 lone 2 100 - 2 - HB2 LEU 45 - HE3 LYS 96 lone 2 100 - 2 - HB2 LEU 45 - HE2 LYS 96 lone 2 100 - 2 - HB2 LEU 81 - HE3 LYS 65 lone 2 46 - 4 - HB2 LEU 81 - HE2 LYS 65 lone 2 46 - 4 - HB2 LYS 49 - HE2 LYS 65 lone 2 58 - 3 - HB2 LYS 49 - HE3 LYS 65 lone 2 58 - 3 - HB2 ARG 95 - HE2 LYS 44 lone 2 94 - 2 - HB2 ARG 95 - HE3 LYS 44 lone 2 94 - 2 - HB2 LYS 96 - HE3 LYS 94 lone 2 65 - 3 - HB3 LYS 123 - HE2 LYS 65 lone 2 56 - 3 - HB3 LYS 123 - HE3 LYS 65 lone 2 56 - 3 - HB3 LYS 44 - HE2 LYS 65 lone 2 63 - 3 - HB3 LYS 44 - HE3 LYS 65 lone 2 63 - 3 - HB2 LYS 44 - HE3 LYS 65 lone 2 60 - 3 - HB2 LYS 44 - HE2 LYS 65 lone 2 60 - 3 - HB3 LYS 44 - HE3 LYS 94 lone 2 68 - 2 - HB2 LYS 20 - HE2 LYS 44 lone 2 73 - 2 - HB2 LYS 20 - HE3 LYS 44 lone 2 73 - 2 - HB3 LYS 20 - HE3 LYS 44 lone 2 73 - 2 - HB3 LYS 20 - HE2 LYS 44 lone 2 73 - 2 - HB2 LYS 44 - HE3 LYS 94 lone 2 65 - 2 - HB3 LYS 123 - HE3 LYS 94 lone 1 61 - 2 - HB2 GLU 128 - HE2 LYS 96 lone 1 99 - 1 - HB2 GLU 128 - HE3 LYS 96 lone 1 99 - 1 - HB2 GLU 128 - HE2 LYS 44 lone 1 99 - 1 - HB2 GLU 128 - HE3 LYS 44 lone 1 99 - 1 - HB ILE 71 - HE3 LYS 96 lone 1 92 - 1 - HB ILE 71 - HE2 LYS 96 lone 1 92 - 1 - HB ILE 71 - HE3 LYS 65 lone 1 52 - 1 - HB ILE 71 - HE2 LYS 65 lone 1 52 - 1 - HB ILE 71 - HE2 LYS 44 lone 1 92 - 1 - HB ILE 71 - HE3 LYS 44 lone 1 92 - 1 - HB3 LYS 17 - HE2 LYS 96 lone 1 73 - 1 - HB3 LYS 17 - HE3 LYS 96 lone 1 73 - 1 - HB2 LEU 81 - HE3 LYS 94 lone 1 50 - 1 - HB2 LYS 49 - HE2 LYS 96 lone 0 97 - 0 - HB2 LYS 49 - HE3 LYS 96 lone 0 97 - 0 - HB ILE 71 - HE3 LYS 94 lone 0 57 - 1 - HB2 LYS 49 - HE3 LYS 94 lone 0 63 - 1 - HB2 LYS 49 - HE3 LYS 44 lone 0 97 - 0 - HB2 LYS 49 - HE2 LYS 44 lone 0 97 - 0 - HB2 LEU 81 - HE2 LYS 44 lone 0 84 - 0 - HB2 LEU 81 - HE3 LYS 44 lone 0 84 - 0 - HB2 LEU 81 - HE3 LYS 96 lone 0 84 - 0 - HB2 LEU 81 - HE2 LYS 96 lone 0 84 - 0 - HB2 LYS 43 - HE3 LYS 65 lone 0 63 - 1 - HB2 LYS 43 - HE2 LYS 65 lone 0 63 - 1 - HB3 LYS 17 - HE2 LYS 44 lone 0 73 - 1 - HB3 LYS 17 - HE3 LYS 44 lone 0 73 - 1 - HB3 LYS 20 - HE3 LYS 94 lone 0 43 - 1 - HB2 LYS 20 - HE3 LYS 94 lone 0 43 - 1 - HB ILE 15 - HE2 LYS 44 lone 0 94 - 0 - HB ILE 15 - HE3 LYS 44 lone 0 94 - 0 - HB3 LYS 43 - HE3 LYS 65 lone 0 60 - 1 - HB3 LYS 43 - HE2 LYS 65 lone 0 60 - 1 - HG2 MET 121 - HE3 LYS 44 lone 0 90 - 0 - HG2 MET 121 - HE2 LYS 44 lone 0 90 - 0 - HG2 MET 121 - HE3 LYS 96 lone 0 90 - 0 - HG2 MET 121 - HE2 LYS 96 lone 0 90 - 0 - HB ILE 15 - HE2 LYS 96 lone 0 94 - 0 - HB ILE 15 - HE3 LYS 96 lone 0 94 - 0 - HB ILE 7 - HE2 LYS 96 lone 0 81 - 0 - HB ILE 7 - HE3 LYS 96 lone 0 81 - 0 - HB ILE 7 - HE3 LYS 44 lone 0 81 - 0 - HB ILE 7 - HE2 LYS 44 lone 0 81 - 0 - HB2 ARG 95 - HE3 LYS 94 lone 0 59 - 0 - HB2 LEU 45 - HE3 LYS 94 lone 0 68 - 0 - HB2 LYS 73 - HE2 LYS 65 lone 0 50 - 1 - HB2 LYS 73 - HE3 LYS 65 lone 0 50 - 1 - HB2 ARG 95 - HE2 LYS 65 lone 0 54 - 0 - HB2 ARG 95 - HE3 LYS 65 lone 0 54 - 0 - HB3 LYS 73 - HE3 LYS 94 lone 0 53 - 0 - HB2 LYS 73 - HE3 LYS 94 lone 0 55 - 0 - HB2 GLU 128 - HE3 LYS 94 lone 0 65 - 0 - HG2 MET 121 - HE2 LYS 65 lone 0 50 - 0 - HG2 MET 121 - HE3 LYS 65 lone 0 50 - 0 - HB3 LYS 73 - HE2 LYS 65 lone 0 48 - 0 - HB3 LYS 73 - HE3 LYS 65 lone 0 48 - 0 - HB ILE 15 - HE3 LYS 94 lone 0 59 - 0 - HB2 GLU 128 - HE2 LYS 65 lone 0 60 - 0 - HB2 GLU 128 - HE3 LYS 65 lone 0 60 - 0 - HB2 LEU 45 - HE3 LYS 65 lone 0 62 - 0 - HB2 LEU 45 - HE2 LYS 65 lone 0 62 - 0 - HB2 LYS 20 - HE2 LYS 65 lone 0 39 - 1 - HB3 LYS 20 - HE2 LYS 65 lone 0 39 - 1 - HB3 LYS 20 - HE3 LYS 65 lone 0 39 - 1 - HB2 LYS 20 - HE3 LYS 65 lone 0 39 - 1 - HG2 MET 121 - HE3 LYS 94 lone 0 55 - 0 - HB3 LYS 17 - HE3 LYS 94 lone 0 43 - 0 - HB ILE 7 - HE3 LYS 94 lone 0 48 - 0 - HB ILE 15 - HE3 LYS 65 lone 0 54 - 0 - HB ILE 15 - HE2 LYS 65 lone 0 54 - 0 - HB3 LYS 17 - HE3 LYS 65 lone 0 39 - 0 - HB3 LYS 17 - HE2 LYS 65 lone 0 39 - 0 - HB ILE 7 - HE2 LYS 65 lone 0 44 - 0 - HB ILE 7 - HE3 LYS 65 lone 0 44 - 0 - Peak 3984 from cnoeabs.peaks (1.58, 2.93, 41.78 ppm; 2.98 A): 4 out of 84 assignments used, quality = 1.00: * HG2 LYS 44 + HE3 LYS 44 OK 82 100 - 82 - 3.7=50, 3954/3.0=7...(32) HG2 LYS 44 + HE2 LYS 44 OK 82 100 - 82 - 3.7=50, 3954/3.0=7...(32) HG3 LYS 96 + HE2 LYS 96 OK 71 87 - 82 - 3.8=49, 6117/3.0=5...(38) HG3 LYS 96 + HE3 LYS 96 OK 71 87 - 82 - 3.8=49, 6117/3.0=5...(38) HG3 LYS 96 - HE3 LYS 44 OK 44 87 - 51 - 2.9/6099=3, 3964/3.0=3...(27) HG3 LYS 96 - HE2 LYS 44 OK 44 87 - 51 - 2.9/6099=3, 3964/3.0=3...(27) HG2 LYS 44 - HE2 LYS 96 OK 38 100 - 38 - 3939=3, 3938/1.8=2...(17) HG2 LYS 44 - HE3 LYS 96 OK 38 100 - 38 - 3938=3, 3938/1.8=2...(17) HG2 LYS 123 - HE3 LYS 44 lone 8 97 - 8 - HG2 LYS 123 - HE2 LYS 44 lone 8 97 - 8 - HG2 LYS 73 - HE3 LYS 96 lone 6 77 - 7 - HG2 LYS 73 - HE2 LYS 96 lone 6 77 - 7 - HG3 LYS 96 - HE2 LYS 65 lone 4 48 - 8 - HG3 LYS 96 - HE3 LYS 65 lone 4 48 - 8 - HG2 LYS 73 - HE2 LYS 44 lone 3 77 - 4 - HG2 LYS 73 - HE3 LYS 44 lone 3 77 - 4 - HG2 LYS 123 - HE2 LYS 96 lone 3 97 - 3 - HG2 LYS 123 - HE3 LYS 96 lone 3 97 - 3 - HB3 LEU 70 - HE3 LYS 94 lone 2 53 - 3 - HG2 LYS 44 - HE2 LYS 65 lone 1 63 - 2 - HG2 LYS 44 - HE3 LYS 65 lone 1 63 - 2 - HG2 LYS 123 - HE3 LYS 65 lone 1 58 - 2 - HG2 LYS 123 - HE2 LYS 65 lone 1 58 - 2 - HG2 LYS 123 - HE3 LYS 94 lone 1 63 - 2 - HG3 LYS 96 - HE3 LYS 94 lone 1 53 - 2 - HG2 LYS 44 - HE3 LYS 94 lone 1 68 - 2 - HB3 LEU 70 - HE2 LYS 96 lone 1 87 - 1 - HB3 LEU 70 - HE3 LYS 96 lone 1 87 - 1 - HG LEU 68 - HE2 LYS 44 lone 1 98 - 1 - HG LEU 68 - HE3 LYS 44 lone 1 98 - 1 - HB3 LEU 70 - HE2 LYS 44 lone 1 87 - 1 - HB3 LEU 70 - HE3 LYS 44 lone 1 87 - 1 - HG12 ILE 116 - HE2 LYS 65 lone 1 62 - 1 - HG12 ILE 116 - HE3 LYS 65 lone 1 62 - 1 - HG LEU 68 - HE2 LYS 65 lone 1 59 - 1 - HG LEU 68 - HE3 LYS 65 lone 1 59 - 1 - HG LEU 68 - HE3 LYS 96 lone 0 98 - 0 - HG LEU 68 - HE2 LYS 96 lone 0 98 - 0 - HB3 LEU 70 - HE2 LYS 65 lone 0 48 - 1 - HB3 LEU 70 - HE3 LYS 65 lone 0 48 - 1 - HG LEU 55 - HE3 LYS 94 lone 0 43 - 1 - HG12 ILE 116 - HE3 LYS 44 lone 0 100 - 0 - HG12 ILE 116 - HE2 LYS 44 lone 0 100 - 0 - HG LEU 55 - HE3 LYS 96 lone 0 73 - 0 - HG LEU 55 - HE2 LYS 96 lone 0 73 - 0 - HG12 ILE 116 - HE2 LYS 96 lone 0 100 - 0 - HG12 ILE 116 - HE3 LYS 96 lone 0 100 - 0 - HD2 LYS 19 - HE3 LYS 44 lone 0 87 - 0 - HD2 LYS 19 - HE2 LYS 44 lone 0 87 - 0 - HD3 LYS 19 - HE3 LYS 44 lone 0 87 - 0 - HD3 LYS 19 - HE2 LYS 44 lone 0 87 - 0 - HG LEU 55 - HE3 LYS 44 lone 0 73 - 0 - HG LEU 55 - HE2 LYS 44 lone 0 73 - 0 - HG LEU 82 - HE3 LYS 94 lone 0 43 - 1 - HG LEU 68 - HE3 LYS 94 lone 0 64 - 0 - HG3 LYS 19 - HE2 LYS 44 lone 0 81 - 0 - HG3 LYS 19 - HE3 LYS 44 lone 0 81 - 0 - HD3 LYS 19 - HE3 LYS 96 lone 0 87 - 0 - HD2 LYS 19 - HE2 LYS 96 lone 0 87 - 0 - HD3 LYS 19 - HE2 LYS 96 lone 0 87 - 0 - HD2 LYS 19 - HE3 LYS 96 lone 0 87 - 0 - HG12 ILE 116 - HE3 LYS 94 lone 0 68 - 0 - HG LEU 82 - HE2 LYS 44 lone 0 73 - 0 - HG LEU 82 - HE3 LYS 44 lone 0 73 - 0 - HG3 LYS 19 - HE2 LYS 96 lone 0 81 - 0 - HG3 LYS 19 - HE3 LYS 96 lone 0 81 - 0 - HG LEU 82 - HE2 LYS 96 lone 0 73 - 0 - HG LEU 82 - HE3 LYS 96 lone 0 73 - 0 - HG LEU 55 - HE3 LYS 65 lone 0 39 - 1 - HG LEU 55 - HE2 LYS 65 lone 0 39 - 1 - HG2 LYS 73 - HE2 LYS 65 lone 0 41 - 0 - HG2 LYS 73 - HE3 LYS 65 lone 0 41 - 0 - HG2 LYS 73 - HE3 LYS 94 lone 0 45 - 0 - HD3 LYS 19 - HE3 LYS 94 lone 0 53 - 0 - HD2 LYS 19 - HE3 LYS 94 lone 0 53 - 0 - HG3 LYS 19 - HE3 LYS 94 lone 0 48 - 0 - HD3 LYS 19 - HE3 LYS 65 lone 0 48 - 0 - HD3 LYS 19 - HE2 LYS 65 lone 0 48 - 0 - HD2 LYS 19 - HE2 LYS 65 lone 0 48 - 0 - HD2 LYS 19 - HE3 LYS 65 lone 0 48 - 0 - HG LEU 82 - HE2 LYS 65 lone 0 39 - 0 - HG LEU 82 - HE3 LYS 65 lone 0 39 - 0 - HG3 LYS 19 - HE3 LYS 65 lone 0 44 - 0 - HG3 LYS 19 - HE2 LYS 65 lone 0 44 - 0 - Peak 3985 from cnoeabs.peaks (1.44, 2.93, 41.78 ppm; 3.18 A): 8 out of 91 assignments used, quality = 1.00: HG2 LYS 96 + HE2 LYS 96 OK 88 100 - 89 - 3.8=59, 6107/3.0=6...(43) HG2 LYS 96 + HE3 LYS 96 OK 88 100 - 89 - 3.8=59, 6107/3.0=6...(43) * HG3 LYS 44 + HE3 LYS 44 OK 88 100 - 88 - 3.7=61, 3955/3.0=6...(34) HG3 LYS 44 + HE2 LYS 44 OK 88 100 - 88 - 3.7=61, 3955/3.0=6...(34) HG2 LYS 96 + HE2 LYS 44 OK 56 100 - 56 - 6110=4, 2.9/6100=4...(27) HG2 LYS 96 + HE3 LYS 44 OK 56 100 - 56 - 6110=4, 2.9/6100=4...(27) HG3 LYS 44 + HE3 LYS 96 OK 45 100 - 46 - 3948=3, 1.8/3938=3...(21) HG3 LYS 44 + HE2 LYS 96 OK 45 100 - 46 - 3949=3, 1.8/3938=3...(21) HG2 LYS 96 - HE3 LYS 65 poor 7 62 - 11 - HG2 LYS 96 - HE2 LYS 65 poor 7 62 - 11 - HG12 ILE 56 - HE3 LYS 94 poor 6 55 - 12 - ~9551=5, 2.1/9543=2...(4) HG2 LYS 39 - HE2 LYS 44 lone 4 61 - 6 - HG2 LYS 39 - HE3 LYS 44 lone 4 61 - 6 - HG2 LYS 39 - HE3 LYS 96 lone 2 61 - 4 - HG2 LYS 39 - HE2 LYS 96 lone 2 61 - 4 - HG2 LYS 96 - HE3 LYS 94 lone 2 68 - 2 - HG3 LYS 44 - HE3 LYS 65 lone 2 63 - 2 - HG3 LYS 44 - HE2 LYS 65 lone 2 63 - 2 - HG3 LYS 44 - HE3 LYS 94 lone 1 68 - 2 - HG12 ILE 56 - HE2 LYS 96 lone 1 90 - 1 - HG12 ILE 56 - HE3 LYS 96 lone 1 90 - 1 - HB2 LEU 4 - HE3 LYS 96 lone 1 100 - 1 - HB2 LEU 4 - HE2 LYS 96 lone 1 100 - 1 - HB3 LEU 4 - HE3 LYS 96 lone 1 100 - 1 - HB3 LEU 4 - HE2 LYS 96 lone 1 100 - 1 - HG LEU 80 - HE3 LYS 94 lone 1 67 - 1 - HG12 ILE 56 - HE3 LYS 44 lone 1 90 - 1 - HG12 ILE 56 - HE2 LYS 44 lone 1 90 - 1 - HG LEU 4 - HE3 LYS 96 lone 1 84 - 1 - HG LEU 4 - HE2 LYS 96 lone 1 84 - 1 - HG3 LYS 17 - HE3 LYS 96 lone 1 94 - 1 - HG3 LYS 17 - HE2 LYS 96 lone 1 94 - 1 - HG3 LYS 17 - HE3 LYS 44 lone 1 94 - 1 - HG3 LYS 17 - HE2 LYS 44 lone 1 94 - 1 - HG LEU 80 - HE3 LYS 96 lone 1 100 - 1 - HG LEU 80 - HE2 LYS 96 lone 1 100 - 1 - HB3 LEU 63 - HE2 LYS 44 lone 1 87 - 1 - HB3 LEU 63 - HE3 LYS 44 lone 1 87 - 1 - HB3 LEU 4 - HE3 LYS 44 lone 1 100 - 1 - HB3 LEU 4 - HE2 LYS 44 lone 1 100 - 1 - HB2 LEU 4 - HE3 LYS 44 lone 1 100 - 1 - HB2 LEU 4 - HE2 LYS 44 lone 1 100 - 1 - HB3 LEU 63 - HE2 LYS 96 lone 0 87 - 1 - HB3 LEU 63 - HE3 LYS 96 lone 0 87 - 1 - HG3 ARG 30 - HE2 LYS 96 lone 0 81 - 1 - HG3 ARG 30 - HE3 LYS 96 lone 0 81 - 1 - HG LEU 80 - HE3 LYS 44 lone 0 100 - 0 - HG LEU 80 - HE2 LYS 44 lone 0 100 - 0 - HG3 ARG 30 - HE3 LYS 44 lone 0 81 - 1 - HG3 ARG 30 - HE2 LYS 44 lone 0 81 - 1 - HB3 LYS 61 - HE3 LYS 44 lone 0 98 - 0 - HB3 LYS 61 - HE2 LYS 44 lone 0 98 - 0 - HB3 LYS 61 - HE3 LYS 96 lone 0 98 - 0 - HB3 LYS 61 - HE2 LYS 96 lone 0 98 - 0 - HG LEU 4 - HE3 LYS 44 lone 0 84 - 0 - HG LEU 4 - HE2 LYS 44 lone 0 84 - 0 - HG12 ILE 56 - HE2 LYS 65 lone 0 50 - 1 - HG12 ILE 56 - HE3 LYS 65 lone 0 50 - 1 - HG LEU 80 - HE2 LYS 65 lone 0 62 - 1 - HG LEU 80 - HE3 LYS 65 lone 0 62 - 1 - HG3 LYS 17 - HE3 LYS 94 lone 0 59 - 1 - HB3 LEU 63 - HE2 LYS 65 lone 0 48 - 1 - HB3 LEU 63 - HE3 LYS 65 lone 0 48 - 1 - HG2 LYS 39 - HE3 LYS 94 lone 0 35 - 1 - HB2 LEU 4 - HE3 LYS 94 lone 0 68 - 0 - HB3 LEU 4 - HE3 LYS 94 lone 0 68 - 0 - HG3 LYS 17 - HE3 LYS 65 lone 0 54 - 0 - HG3 LYS 17 - HE2 LYS 65 lone 0 54 - 0 - HB3 GLN 83 - HE3 LYS 44 lone 0 65 - 0 - HB3 GLN 83 - HE2 LYS 44 lone 0 65 - 0 - HG2 LYS 39 - HE2 LYS 65 lone 0 31 - 1 - HG2 LYS 39 - HE3 LYS 65 lone 0 31 - 1 - HB3 LEU 4 - HE2 LYS 65 lone 0 63 - 0 - HB3 LEU 4 - HE3 LYS 65 lone 0 63 - 0 - HB2 LEU 4 - HE2 LYS 65 lone 0 63 - 0 - HB2 LEU 4 - HE3 LYS 65 lone 0 63 - 0 - HG3 ARG 30 - HE3 LYS 65 lone 0 44 - 0 - HG3 ARG 30 - HE2 LYS 65 lone 0 44 - 0 - HB3 GLN 83 - HE2 LYS 96 lone 0 65 - 0 - HB3 GLN 83 - HE3 LYS 96 lone 0 65 - 0 - HG3 ARG 30 - HE3 LYS 94 lone 0 48 - 0 - HB3 LYS 61 - HE3 LYS 94 lone 0 64 - 0 - HB3 LEU 63 - HE3 LYS 94 lone 0 53 - 0 - HB3 LYS 61 - HE3 LYS 65 lone 0 59 - 0 - HB3 LYS 61 - HE2 LYS 65 lone 0 59 - 0 - HG LEU 4 - HE3 LYS 94 lone 0 50 - 0 - HG LEU 4 - HE2 LYS 65 lone 0 46 - 0 - HG LEU 4 - HE3 LYS 65 lone 0 46 - 0 - HB3 GLN 83 - HE3 LYS 94 lone 0 37 - 0 - HB3 GLN 83 - HE3 LYS 65 lone 0 34 - 0 - HB3 GLN 83 - HE2 LYS 65 lone 0 34 - 0 - Peak 3986 from cnoeabs.peaks (1.70, 2.93, 41.78 ppm; 2.76 A): 6 out of 147 assignments used, quality = 1.00: * HD2 LYS 44 + HE3 LYS 44 OK 90 100 - 90 - 3.0=81, 3959/1.8=6...(35) HD2 LYS 44 + HE2 LYS 44 OK 90 100 - 90 - 3.0=81, 3959/1.8=6...(35) HD3 LYS 44 + HE2 LYS 44 OK 90 100 - 90 - 3.0=81, 3959/1.8=6...(35) HD3 LYS 44 + HE3 LYS 44 OK 90 100 - 90 - 3.0=81, 3959/1.8=6...(35) HD3 LYS 96 + HE2 LYS 96 OK 59 65 - 91 - 3.0=79, 1.8/6130=5...(40) HD3 LYS 96 + HE3 LYS 96 OK 59 65 - 91 - 3.0=79, 1.8/6130=5...(40) HD2 LYS 44 - HE3 LYS 96 OK 31 100 - 31 - 3958=3, 3959/1.8=2...(7) HD2 LYS 44 - HE2 LYS 96 OK 31 100 - 31 - 3959=3, 3959/1.8=2...(7) HD3 LYS 44 - HE2 LYS 96 OK 31 100 - 31 - 3959=3, 1.8/3959=2...(7) HD3 LYS 44 - HE3 LYS 96 OK 31 100 - 31 - 3959=3, 1.8/3959=2...(7) HD3 LYS 96 - HE3 LYS 44 OK 26 65 - 40 - 3.4/6099=2, 1.8/6130=2...(15) HD3 LYS 96 - HE2 LYS 44 OK 26 65 - 40 - 3.4/6099=2, 1.8/6130=2...(15) HG3 LYS 123 - HE3 LYS 44 lone 6 100 - 6 - HG3 LYS 123 - HE2 LYS 44 lone 6 100 - 6 - HB ILE 56 - HE3 LYS 94 lone 5 53 - 10 - ~9551=2, 10948/3.0=2...(5) HG3 LYS 39 - HE2 LYS 44 lone 5 100 - 5 - HG3 LYS 39 - HE3 LYS 44 lone 5 100 - 5 - HD3 LYS 39 - HE2 LYS 44 lone 4 99 - 4 - HD3 LYS 39 - HE3 LYS 44 lone 4 99 - 4 - HD2 LYS 39 - HE3 LYS 44 lone 4 99 - 4 - HD2 LYS 39 - HE2 LYS 44 lone 4 99 - 4 - HD2 LYS 20 - HE2 LYS 96 lone 4 84 - 5 - HD2 LYS 20 - HE3 LYS 96 lone 4 84 - 5 - HD3 LYS 20 - HE2 LYS 96 lone 4 81 - 5 - HD3 LYS 20 - HE3 LYS 96 lone 4 81 - 5 - HD2 LYS 73 - HE3 LYS 96 lone 4 73 - 5 - HD2 LYS 73 - HE2 LYS 96 lone 4 73 - 5 - HD3 LYS 73 - HE3 LYS 96 lone 4 70 - 5 - HD3 LYS 73 - HE2 LYS 96 lone 4 70 - 5 - HD3 LYS 43 - HE2 LYS 96 lone 3 70 - 4 - HD3 LYS 43 - HE3 LYS 96 lone 3 70 - 4 - HD3 LYS 39 - HE3 LYS 96 lone 3 99 - 3 - HD3 LYS 39 - HE2 LYS 96 lone 3 99 - 3 - HD2 LYS 39 - HE2 LYS 96 lone 3 99 - 3 - HD2 LYS 39 - HE3 LYS 96 lone 3 99 - 3 - HD3 LYS 96 - HE3 LYS 65 lone 2 34 - 7 - HD3 LYS 96 - HE2 LYS 65 lone 2 34 - 7 - HG3 LYS 39 - HE3 LYS 96 lone 2 100 - 2 - HG3 LYS 39 - HE2 LYS 96 lone 2 100 - 2 - HG3 LYS 123 - HE2 LYS 96 lone 2 100 - 2 - HG3 LYS 123 - HE3 LYS 96 lone 2 100 - 2 - HD3 LYS 43 - HE3 LYS 44 lone 2 70 - 3 - HD3 LYS 43 - HE2 LYS 44 lone 2 70 - 3 - HD2 LYS 73 - HE3 LYS 44 lone 2 73 - 3 - HD2 LYS 73 - HE2 LYS 44 lone 2 73 - 3 - HD3 LYS 73 - HE3 LYS 44 lone 2 70 - 3 - HD3 LYS 73 - HE2 LYS 44 lone 2 70 - 3 - HD2 LYS 40 - HE2 LYS 96 lone 1 61 - 2 - HD2 LYS 40 - HE3 LYS 96 lone 1 61 - 2 - HD2 LYS 20 - HE2 LYS 44 lone 1 84 - 1 - HD2 LYS 20 - HE3 LYS 44 lone 1 84 - 1 - HD3 LYS 44 - HE3 LYS 65 lone 1 62 - 2 - HD3 LYS 44 - HE2 LYS 65 lone 1 62 - 2 - HG3 LYS 123 - HE3 LYS 65 lone 1 62 - 2 - HG3 LYS 123 - HE2 LYS 65 lone 1 62 - 2 - HD2 LYS 44 - HE3 LYS 65 lone 1 63 - 2 - HD2 LYS 44 - HE2 LYS 65 lone 1 63 - 2 - HD3 LYS 20 - HE3 LYS 44 lone 1 81 - 1 - HD3 LYS 20 - HE2 LYS 44 lone 1 81 - 1 - HG3 LYS 123 - HE3 LYS 94 lone 1 68 - 1 - HD2 LYS 44 - HE3 LYS 94 lone 1 68 - 1 - HD3 LYS 44 - HE3 LYS 94 lone 1 68 - 1 - HB ILE 56 - HE2 LYS 96 lone 1 87 - 1 - HB ILE 56 - HE3 LYS 96 lone 1 87 - 1 - HD3 LYS 16 - HE2 LYS 44 lone 1 87 - 1 - HD3 LYS 16 - HE3 LYS 44 lone 1 87 - 1 - HD3 LYS 16 - HE2 LYS 96 lone 1 87 - 1 - HD3 LYS 16 - HE3 LYS 96 lone 1 87 - 1 - HD3 LYS 16 - HE3 LYS 65 lone 1 48 - 1 - HD3 LYS 16 - HE2 LYS 65 lone 1 48 - 1 - HD3 LYS 96 - HE3 LYS 94 lone 1 37 - 2 - HD2 LYS 16 - HE3 LYS 44 lone 1 77 - 1 - HD2 LYS 16 - HE2 LYS 44 lone 1 77 - 1 - HD2 LYS 16 - HE3 LYS 65 lone 1 41 - 1 - HD2 LYS 16 - HE2 LYS 65 lone 1 41 - 1 - HD2 LYS 16 - HE2 LYS 96 lone 1 77 - 1 - HD2 LYS 16 - HE3 LYS 96 lone 1 77 - 1 - HG12 ILE 71 - HE2 LYS 96 lone 0 97 - 1 - HG12 ILE 71 - HE3 LYS 96 lone 0 97 - 1 - HG12 ILE 71 - HE2 LYS 65 lone 0 58 - 1 - HG12 ILE 71 - HE3 LYS 65 lone 0 58 - 1 - HB ILE 56 - HE2 LYS 44 lone 0 87 - 0 - HB ILE 56 - HE3 LYS 44 lone 0 87 - 0 - HG3 LYS 39 - HE3 LYS 94 lone 0 68 - 1 - HG12 ILE 71 - HE2 LYS 44 lone 0 97 - 0 - HG12 ILE 71 - HE3 LYS 44 lone 0 97 - 0 - HB ILE 54 - HE3 LYS 96 lone 0 61 - 1 - HB ILE 54 - HE2 LYS 96 lone 0 61 - 1 - HD3 LYS 39 - HE3 LYS 94 lone 0 66 - 1 - HD2 LYS 40 - HE3 LYS 44 lone 0 61 - 1 - HD2 LYS 40 - HE2 LYS 44 lone 0 61 - 1 - HD2 LYS 39 - HE3 LYS 94 lone 0 65 - 1 - HB ILE 54 - HE2 LYS 44 lone 0 61 - 1 - HB ILE 54 - HE3 LYS 44 lone 0 61 - 1 - HG3 LYS 39 - HE2 LYS 65 lone 0 62 - 0 - HG3 LYS 39 - HE3 LYS 65 lone 0 62 - 0 - HG LEU 74 - HE3 LYS 44 lone 0 100 - 0 - HG LEU 74 - HE2 LYS 44 lone 0 100 - 0 - HD3 LYS 43 - HE3 LYS 94 lone 0 40 - 1 - HG LEU 74 - HE2 LYS 96 lone 0 100 - 0 - HG LEU 74 - HE3 LYS 96 lone 0 100 - 0 - HB3 LYS 106 - HE2 LYS 44 lone 0 81 - 0 - HB3 LYS 106 - HE3 LYS 44 lone 0 81 - 0 - HD3 LYS 39 - HE2 LYS 65 lone 0 61 - 0 - HD3 LYS 39 - HE3 LYS 65 lone 0 61 - 0 - HD2 LYS 39 - HE3 LYS 65 lone 0 60 - 0 - HD2 LYS 39 - HE2 LYS 65 lone 0 60 - 0 - HB3 LYS 106 - HE2 LYS 96 lone 0 81 - 0 - HB3 LYS 106 - HE3 LYS 96 lone 0 81 - 0 - HB ILE 54 - HE2 LYS 65 lone 0 31 - 1 - HB ILE 54 - HE3 LYS 65 lone 0 31 - 1 - HG12 ILE 71 - HE3 LYS 94 lone 0 63 - 0 - HB2 LYS 106 - HE2 LYS 44 lone 0 73 - 0 - HB2 LYS 106 - HE3 LYS 44 lone 0 73 - 0 - HB ILE 54 - HE3 LYS 94 lone 0 35 - 1 - HB ILE 56 - HE3 LYS 65 lone 0 48 - 0 - HB ILE 56 - HE2 LYS 65 lone 0 48 - 0 - HB2 LYS 106 - HE3 LYS 96 lone 0 73 - 0 - HB2 LYS 106 - HE2 LYS 96 lone 0 73 - 0 - HD2 LYS 20 - HE3 LYS 94 lone 0 50 - 0 - HD3 LYS 20 - HE3 LYS 94 lone 0 48 - 0 - HD2 LYS 20 - HE2 LYS 65 lone 0 46 - 0 - HD2 LYS 20 - HE3 LYS 65 lone 0 46 - 0 - HD3 LYS 16 - HE3 LYS 94 lone 0 53 - 0 - HD3 LYS 20 - HE3 LYS 65 lone 0 44 - 0 - HD3 LYS 20 - HE2 LYS 65 lone 0 44 - 0 - HG LEU 74 - HE3 LYS 94 lone 0 67 - 0 - HD2 LYS 40 - HE3 LYS 65 lone 0 31 - 1 - HD2 LYS 40 - HE2 LYS 65 lone 0 31 - 1 - HB3 LYS 106 - HE3 LYS 94 lone 0 48 - 0 - HD2 LYS 16 - HE3 LYS 94 lone 0 45 - 0 - HG LEU 74 - HE3 LYS 65 lone 0 62 - 0 - HG LEU 74 - HE2 LYS 65 lone 0 62 - 0 - HB2 LYS 106 - HE3 LYS 94 lone 0 43 - 0 - HD2 LYS 73 - HE3 LYS 94 lone 0 43 - 0 - HD3 LYS 43 - HE3 LYS 65 lone 0 36 - 0 - HD3 LYS 43 - HE2 LYS 65 lone 0 36 - 0 - HD2 LYS 40 - HE3 LYS 94 lone 0 35 - 0 - HD2 LYS 73 - HE2 LYS 65 lone 0 39 - 0 - HD2 LYS 73 - HE3 LYS 65 lone 0 39 - 0 - HD3 LYS 73 - HE3 LYS 94 lone 0 40 - 0 - HD3 LYS 73 - HE3 LYS 65 lone 0 36 - 0 - HD3 LYS 73 - HE2 LYS 65 lone 0 36 - 0 - HB3 LYS 106 - HE3 LYS 65 lone 0 44 - 0 - HB3 LYS 106 - HE2 LYS 65 lone 0 44 - 0 - HB2 LYS 106 - HE3 LYS 65 lone 0 39 - 0 - HB2 LYS 106 - HE2 LYS 65 lone 0 39 - 0 - Peak 3987 from cnoeabs.peaks (1.70, 2.93, 41.78 ppm; 2.76 A): 4 out of 126 assignments used, quality = 1.00: * HD3 LYS 44 + HE3 LYS 44 OK 90 100 - 90 - 3.0=81, 3958/1.8=6...(35) HD3 LYS 44 + HE2 LYS 44 OK 90 100 - 90 - 3.0=81, 3958/1.8=6...(35) HD2 LYS 44 + HE2 LYS 44 OK 90 100 - 90 - 3.0=81, 3958/1.8=6...(35) HD2 LYS 44 + HE3 LYS 44 OK 90 100 - 90 - 3.0=81, 3958/1.8=6...(35) HD3 LYS 44 - HE2 LYS 96 OK 31 100 - 31 - 3959=3, 1.8/3958=2...(7) HD3 LYS 44 - HE3 LYS 96 OK 31 100 - 31 - 3959=3, 1.8/3958=2...(7) HD2 LYS 44 - HE3 LYS 96 OK 31 100 - 31 - 3958=3, 3958/1.8=2...(7) HD2 LYS 44 - HE2 LYS 96 OK 31 100 - 31 - 3958=3, 3958/1.8=2...(7) HG3 LYS 123 - HE3 LYS 44 lone 6 99 - 6 - HG3 LYS 123 - HE2 LYS 44 lone 6 99 - 6 - HG3 LYS 39 - HE2 LYS 44 lone 5 99 - 5 - HG3 LYS 39 - HE3 LYS 44 lone 5 99 - 5 - HB ILE 56 - HE3 LYS 94 lone 4 48 - 9 - ~9551=2, 10948/3.0=2...(5) HD3 LYS 39 - HE3 LYS 44 lone 4 100 - 4 - HD3 LYS 39 - HE2 LYS 44 lone 4 100 - 4 - HD2 LYS 39 - HE2 LYS 44 lone 4 100 - 4 - HD2 LYS 39 - HE3 LYS 44 lone 4 100 - 4 - HD2 LYS 20 - HE2 LYS 96 lone 4 77 - 5 - HD2 LYS 20 - HE3 LYS 96 lone 4 77 - 5 - HD3 LYS 20 - HE2 LYS 96 lone 4 73 - 5 - HD3 LYS 20 - HE3 LYS 96 lone 4 73 - 5 - HD2 LYS 73 - HE3 LYS 96 lone 3 65 - 5 - HD2 LYS 73 - HE2 LYS 96 lone 3 65 - 5 - HD3 LYS 73 - HE3 LYS 96 lone 3 61 - 5 - HD3 LYS 73 - HE2 LYS 96 lone 3 61 - 5 - HD3 LYS 39 - HE2 LYS 96 lone 3 100 - 3 - HD3 LYS 39 - HE3 LYS 96 lone 3 100 - 3 - HD2 LYS 39 - HE3 LYS 96 lone 3 100 - 3 - HD2 LYS 39 - HE2 LYS 96 lone 3 100 - 3 - HD3 LYS 43 - HE2 LYS 96 lone 3 61 - 4 - HD3 LYS 43 - HE3 LYS 96 lone 3 61 - 4 - HG3 LYS 39 - HE2 LYS 96 lone 2 99 - 2 - HG3 LYS 39 - HE3 LYS 96 lone 2 99 - 2 - HG3 LYS 123 - HE2 LYS 96 lone 2 99 - 2 - HG3 LYS 123 - HE3 LYS 96 lone 2 99 - 2 - HD2 LYS 73 - HE2 LYS 44 lone 2 65 - 3 - HD2 LYS 73 - HE3 LYS 44 lone 2 65 - 3 - HD3 LYS 43 - HE2 LYS 44 lone 2 61 - 3 - HD3 LYS 43 - HE3 LYS 44 lone 2 61 - 3 - HD3 LYS 73 - HE3 LYS 44 lone 2 61 - 3 - HD3 LYS 73 - HE2 LYS 44 lone 2 61 - 3 - HD3 LYS 44 - HE2 LYS 65 lone 1 63 - 2 - HD3 LYS 44 - HE3 LYS 65 lone 1 63 - 2 - HD2 LYS 44 - HE3 LYS 65 lone 1 62 - 2 - HD2 LYS 44 - HE2 LYS 65 lone 1 62 - 2 - HG3 LYS 123 - HE2 LYS 65 lone 1 61 - 2 - HG3 LYS 123 - HE3 LYS 65 lone 1 61 - 2 - HD2 LYS 20 - HE3 LYS 44 lone 1 77 - 1 - HD2 LYS 20 - HE2 LYS 44 lone 1 77 - 1 - HG3 LYS 123 - HE3 LYS 94 lone 1 66 - 1 - HD3 LYS 20 - HE2 LYS 44 lone 1 73 - 1 - HD3 LYS 20 - HE3 LYS 44 lone 1 73 - 1 - HD3 LYS 44 - HE3 LYS 94 lone 1 68 - 1 - HD2 LYS 44 - HE3 LYS 94 lone 1 68 - 1 - HB ILE 56 - HE3 LYS 96 lone 1 81 - 1 - HB ILE 56 - HE2 LYS 96 lone 1 81 - 1 - HD3 LYS 16 - HE3 LYS 44 lone 1 81 - 1 - HD3 LYS 16 - HE2 LYS 44 lone 1 81 - 1 - HD3 LYS 16 - HE2 LYS 96 lone 1 81 - 1 - HD3 LYS 16 - HE3 LYS 96 lone 1 81 - 1 - HD3 LYS 16 - HE3 LYS 65 lone 1 44 - 1 - HD3 LYS 16 - HE2 LYS 65 lone 1 44 - 1 - HD2 LYS 16 - HE2 LYS 44 lone 1 70 - 1 - HD2 LYS 16 - HE3 LYS 44 lone 1 70 - 1 - HD2 LYS 16 - HE2 LYS 96 lone 0 70 - 1 - HD2 LYS 16 - HE3 LYS 96 lone 0 70 - 1 - HG12 ILE 71 - HE3 LYS 96 lone 0 94 - 0 - HG12 ILE 71 - HE2 LYS 96 lone 0 94 - 0 - HD2 LYS 16 - HE3 LYS 65 lone 1 36 - 1 - HD2 LYS 16 - HE2 LYS 65 lone 1 36 - 1 - HG12 ILE 71 - HE3 LYS 65 lone 0 54 - 1 - HG12 ILE 71 - HE2 LYS 65 lone 0 54 - 1 - HG3 LYS 39 - HE3 LYS 94 lone 0 66 - 1 - HG12 ILE 71 - HE2 LYS 44 lone 0 94 - 0 - HG12 ILE 71 - HE3 LYS 44 lone 0 94 - 0 - HB ILE 56 - HE2 LYS 44 lone 0 81 - 0 - HB ILE 56 - HE3 LYS 44 lone 0 81 - 0 - HD3 LYS 39 - HE3 LYS 94 lone 0 68 - 1 - HD2 LYS 39 - HE3 LYS 94 lone 0 67 - 1 - HG LEU 74 - HE2 LYS 44 lone 0 100 - 0 - HG LEU 74 - HE3 LYS 44 lone 0 100 - 0 - HG3 LYS 39 - HE2 LYS 65 lone 0 61 - 0 - HG3 LYS 39 - HE3 LYS 65 lone 0 61 - 0 - HB3 LYS 106 - HE2 LYS 44 lone 0 87 - 0 - HB3 LYS 106 - HE3 LYS 44 lone 0 87 - 0 - HB3 LYS 106 - HE2 LYS 96 lone 0 87 - 0 - HB3 LYS 106 - HE3 LYS 96 lone 0 87 - 0 - HG LEU 74 - HE2 LYS 96 lone 0 100 - 0 - HG LEU 74 - HE3 LYS 96 lone 0 100 - 0 - HD3 LYS 39 - HE2 LYS 65 lone 0 62 - 0 - HD3 LYS 39 - HE3 LYS 65 lone 0 62 - 0 - HB2 LYS 106 - HE3 LYS 44 lone 0 81 - 0 - HB2 LYS 106 - HE2 LYS 44 lone 0 81 - 0 - HD2 LYS 39 - HE3 LYS 65 lone 0 62 - 0 - HD2 LYS 39 - HE2 LYS 65 lone 0 62 - 0 - HB2 LYS 106 - HE2 LYS 96 lone 0 81 - 0 - HB2 LYS 106 - HE3 LYS 96 lone 0 81 - 0 - HD3 LYS 43 - HE3 LYS 94 lone 0 35 - 1 - HG12 ILE 71 - HE3 LYS 94 lone 0 59 - 0 - HB ILE 56 - HE2 LYS 65 lone 0 44 - 0 - HB ILE 56 - HE3 LYS 65 lone 0 44 - 0 - HD2 LYS 20 - HE3 LYS 94 lone 0 45 - 0 - HB3 LYS 106 - HE3 LYS 94 lone 0 53 - 0 - HD3 LYS 20 - HE3 LYS 94 lone 0 43 - 0 - HG LEU 74 - HE3 LYS 94 lone 0 68 - 0 - HD2 LYS 20 - HE3 LYS 65 lone 0 41 - 0 - HD2 LYS 20 - HE2 LYS 65 lone 0 41 - 0 - HD3 LYS 16 - HE3 LYS 94 lone 0 48 - 0 - HD3 LYS 20 - HE2 LYS 65 lone 0 39 - 0 - HD3 LYS 20 - HE3 LYS 65 lone 0 39 - 0 - HB2 LYS 106 - HE3 LYS 94 lone 0 48 - 0 - HG LEU 74 - HE2 LYS 65 lone 0 63 - 0 - HG LEU 74 - HE3 LYS 65 lone 0 63 - 0 - HD2 LYS 16 - HE3 LYS 94 lone 0 40 - 0 - HB3 LYS 106 - HE3 LYS 65 lone 0 48 - 0 - HB3 LYS 106 - HE2 LYS 65 lone 0 48 - 0 - HD2 LYS 73 - HE3 LYS 94 lone 0 37 - 0 - HB2 LYS 106 - HE2 LYS 65 lone 0 44 - 0 - HB2 LYS 106 - HE3 LYS 65 lone 0 44 - 0 - HD3 LYS 43 - HE2 LYS 65 lone 0 31 - 0 - HD3 LYS 43 - HE3 LYS 65 lone 0 31 - 0 - HD2 LYS 73 - HE3 LYS 65 lone 0 34 - 0 - HD2 LYS 73 - HE2 LYS 65 lone 0 34 - 0 - HD3 LYS 73 - HE3 LYS 94 lone 0 35 - 0 - HD3 LYS 73 - HE3 LYS 65 lone 0 31 - 0 - HD3 LYS 73 - HE2 LYS 65 lone 0 31 - 0 - Peak 3988 from cnoeabs.peaks (2.93, 2.93, 41.78 ppm; diagonal): 5 out of 7 assignments used, quality = 1.00: HE3 LYS 96 + HE3 LYS 96 OK 100 100 - 100 HE2 LYS 96 + HE2 LYS 96 OK 100 100 - 100 HE2 LYS 44 + HE2 LYS 44 OK 100 100 - 100 HE3 LYS 44 + HE3 LYS 44 OK 100 100 - 100 HE3 LYS 94 + HE3 LYS 94 OK 50 50 - 100 HE2 LYS 65 - HE2 LYS 65 OK 44 44 - 100 HE3 LYS 65 - HE3 LYS 65 OK 44 44 - 100 Reference assignment not found: HE2 LYS 44 - HE3 LYS 44 Peak 3989 from cnoeabs.peaks (2.93, 2.93, 41.78 ppm; diagonal): 5 out of 7 assignments used, quality = 1.00: HE3 LYS 96 + HE3 LYS 96 OK 100 100 - 100 HE2 LYS 96 + HE2 LYS 96 OK 100 100 - 100 HE2 LYS 44 + HE2 LYS 44 OK 100 100 - 100 * HE3 LYS 44 + HE3 LYS 44 OK 100 100 - 100 HE3 LYS 94 + HE3 LYS 94 OK 50 50 - 100 HE2 LYS 65 - HE2 LYS 65 OK 44 44 - 100 HE3 LYS 65 - HE3 LYS 65 OK 44 44 - 100 Peak 3990 from cnoeabs.peaks (8.16, 4.15, 57.19 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 45 + HA LEU 45 OK 100 100 - 100 - 3.0=100 Peak 3991 from cnoeabs.peaks (4.15, 4.15, 57.19 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 45 + HA LEU 45 OK 100 100 - 100 Peak 3992 from cnoeabs.peaks (1.90, 4.15, 57.19 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 45 + HA LEU 45 OK 100 100 - 100 - 3.0=100 Peak 3993 from cnoeabs.peaks (1.49, 4.15, 57.19 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 45 + HA LEU 45 OK 100 100 - 100 - 3.0=100 Peak 3994 from cnoeabs.peaks (1.88, 4.15, 57.19 ppm; 3.39 A): 2 out of 19 assignments used, quality = 0.96: * HG LEU 45 + HA LEU 45 OK 92 100 - 92 - 4.3=50, 2.1/3996=29...(18) HG2 ARG 95 + HA LEU 45 OK 48 98 - 49 - 6040=11, 1.8/6048=9...(17) HB2 ARG 95 - HA LEU 45 OK 32 77 - 41 - 3.0/6040=8, 3.0/6048=7...(14) HB3 LYS 73 - HA LEU 45 OK 17 87 - 20 - 4.0/2126=2, 1296/3.0=2...(8) HB2 LYS 73 - HA LEU 45 OK 16 84 - 20 - 4.0/2126=2, 1296/3.0=2...(8) HB3 LYS 43 - HA LEU 45 poor 10 61 - 16 - 1296/3.0=2, 275/3.6=2...(8) HB2 LYS 96 - HA LEU 45 poor 9 61 - 14 - ~266=3, ~265=2, ~7514=2...(6) HB2 LYS 20 - HA LEU 45 lone 8 96 - 9 - HB3 LYS 20 - HA LEU 45 lone 8 96 - 9 - HB2 LEU 63 - HA LEU 45 lone 7 90 - 8 - 3.1/3995=2, 3.1/3996=2, ~266=1 QE MET 42 - HA LEU 45 lone 6 73 - 8 - 9431/4.0=5, 4001/3.0=1 QE MET 67 - HA LEU 45 lone 4 100 - 4 - 9736/3.6=1 HB ILE 71 - HA LEU 45 lone 3 81 - 4 - ~9773=1, 275/3.6=1 HB ILE 7 - HA LEU 45 lone 2 92 - 2 - HB2 GLU 128 - HA LEU 45 lone 1 61 - 2 - HB2 LYS 16 - HA LEU 45 lone 1 100 - 1 - HB3 LYS 16 - HA LEU 45 lone 1 100 - 1 - HB3 ARG 118 - HA LEU 45 lone 1 90 - 1 - HB2 LYS 49 - HA LEU 45 lone 0 70 - 1 - Peak 3995 from cnoeabs.peaks (0.75, 4.15, 57.19 ppm; 3.25 A): 1 out of 11 assignments used, quality = 0.93: * QD1 LEU 45 + HA LEU 45 OK 93 100 - 93 - 4.0=55, 2.1/3996=28...(20) QD1 LEU 63 - HA LEU 45 lone 7 84 - 9 - 1297/3.0=2, 2.1/3996=2 QG2 VAL 32 - HA LEU 45 lone 3 94 - 3 - QD1 ILE 7 - HA LEU 45 lone 2 84 - 2 - QG2 ILE 7 - HA LEU 45 lone 2 92 - 2 - QG2 ILE 54 - HA LEU 45 lone 1 96 - 1 - QD2 LEU 14 - HA LEU 45 lone 1 94 - 1 - QD1 ILE 15 - HA LEU 45 lone 1 92 - 1 - QG1 VAL 107 - HA LEU 45 lone 1 94 - 1 - QD2 LEU 6 - HA LEU 45 lone 1 61 - 1 - QD2 LEU 55 - HA LEU 45 lone 0 65 - 1 - Peak 3996 from cnoeabs.peaks (0.72, 4.15, 57.19 ppm; 3.10 A): 1 out of 13 assignments used, quality = 0.87: * QD2 LEU 45 + HA LEU 45 OK 87 100 - 87 - 4.0=48, 2.1/3995=25...(19) QD2 LEU 63 - HA LEU 45 lone 7 73 - 9 - 2.1/3995=2, 1298/3.0=2, 4738=2 QD1 LEU 63 - HA LEU 45 lone 4 73 - 6 - 2.1/4738=2, 1298/3.0=1 QG2 VAL 78 - HA LEU 45 lone 3 100 - 3 - 11291/3.0=1 QD1 LEU 6 - HA LEU 45 lone 1 92 - 1 - QG2 ILE 7 - HA LEU 45 lone 1 61 - 2 - QD2 LEU 6 - HA LEU 45 lone 1 92 - 1 - QD2 LEU 55 - HA LEU 45 lone 1 90 - 1 - QG2 ILE 18 - HA LEU 45 lone 1 97 - 1 - HG13 ILE 18 - HA LEU 45 lone 1 99 - 1 - QG1 VAL 117 - HA LEU 45 lone 0 99 - 0 - QD1 ILE 57 - HA LEU 45 lone 0 65 - 1 - QD2 LEU 81 - HA LEU 45 lone 0 61 - 0 - Peak 3997 from cnoeabs.peaks (8.16, 1.90, 41.77 ppm; 3.92 A): 2 out of 2 assignments used, quality = 0.99: * H LEU 45 + HB2 LEU 45 OK 99 100 - 99 - 4.0=91, 1295/1.8=31...(15) H ARG 95 + HB2 LEU 45 OK 51 100 - 51 - 4011/3.0=12, 4004/1.8=11...(12) Peak 3998 from cnoeabs.peaks (4.15, 1.90, 41.77 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 45 + HB2 LEU 45 OK 100 100 - 100 - 3.0=100 Peak 3999 from cnoeabs.peaks (1.90, 1.90, 41.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 45 + HB2 LEU 45 OK 100 100 - 100 Peak 4000 from cnoeabs.peaks (1.49, 1.90, 41.77 ppm; 3.09 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 45 + HB2 LEU 45 OK 100 100 - 100 - 1.8=100 Peak 4001 from cnoeabs.peaks (1.88, 1.90, 41.77 ppm; 2.96 A): 1 out of 19 assignments used, quality = 0.99: * HG LEU 45 + HB2 LEU 45 OK 99 100 - 99 - 3.0=98, ~4021=13...(14) HG2 ARG 95 - HB2 LEU 45 OK 36 98 - 37 - 6041=6, 6040/3.0=5...(14) HB2 ARG 95 - HB2 LEU 45 OK 26 77 - 34 - 3.9/3997=4, 6027/3.0=4...(15) HB3 LYS 73 - HB2 LEU 45 poor 9 87 - 11 - 3994/3.0=1 HB2 LYS 73 - HB2 LEU 45 poor 9 84 - 11 - 3994/3.0=1 QE MET 42 - HB2 LEU 45 poor 8 73 - 11 - 5.4/8079=5, 9431/3.1=5 HB2 LYS 20 - HB2 LEU 45 lone 7 96 - 7 - HB3 LYS 20 - HB2 LEU 45 lone 7 96 - 7 - HB3 LYS 43 - HB2 LEU 45 lone 5 61 - 8 - 275/4.3=1, 1296/4.0=1 HB2 LEU 63 - HB2 LEU 45 lone 4 90 - 4 - HB ILE 71 - HB2 LEU 45 lone 3 81 - 4 - ~9773=1 QE MET 67 - HB2 LEU 45 lone 3 100 - 3 - HB2 LYS 96 - HB2 LEU 45 lone 3 61 - 4 - HB ILE 7 - HB2 LEU 45 lone 1 92 - 1 - HB2 LYS 16 - HB2 LEU 45 lone 1 100 - 1 - HB3 LYS 16 - HB2 LEU 45 lone 1 100 - 1 - HB3 ARG 118 - HB2 LEU 45 lone 1 90 - 1 - HB2 GLU 128 - HB2 LEU 45 lone 1 61 - 1 - HB2 LYS 49 - HB2 LEU 45 lone 0 70 - 1 - Peak 4002 from cnoeabs.peaks (0.75, 1.90, 41.77 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 45 + HB2 LEU 45 OK 100 100 - 100 - 3.1=100 Peak 4003 from cnoeabs.peaks (0.72, 1.90, 41.77 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 45 + HB2 LEU 45 OK 100 100 - 100 - 3.1=100 Peak 4004 from cnoeabs.peaks (8.16, 1.49, 41.77 ppm; 4.00 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 45 + HB3 LEU 45 OK 100 100 - 100 - 4.0=97, 1297/3.1=26...(12) H ARG 95 - HB3 LEU 45 OK 43 100 - 43 - 3997/1.8=13, 4011/3.0=12...(8) Peak 4005 from cnoeabs.peaks (4.15, 1.49, 41.77 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 45 + HB3 LEU 45 OK 100 100 - 100 - 3.0=100 Peak 4006 from cnoeabs.peaks (1.90, 1.49, 41.77 ppm; 2.95 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 45 + HB3 LEU 45 OK 100 100 - 100 - 1.8=100 Peak 4007 from cnoeabs.peaks (1.49, 1.49, 41.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 45 + HB3 LEU 45 OK 100 100 - 100 Peak 4008 from cnoeabs.peaks (1.88, 1.49, 41.77 ppm; 3.09 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 45 + HB3 LEU 45 OK 100 100 - 100 - 3.0=100 Peak 4009 from cnoeabs.peaks (0.75, 1.49, 41.77 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 45 + HB3 LEU 45 OK 100 100 - 100 - 3.1=100 Peak 4010 from cnoeabs.peaks (0.72, 1.49, 41.77 ppm; 3.41 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 45 + HB3 LEU 45 OK 100 100 - 100 - 3.1=100 Peak 4011 from cnoeabs.peaks (8.16, 1.88, 26.77 ppm; 3.76 A): 2 out of 2 assignments used, quality = 0.97: * H LEU 45 + HG LEU 45 OK 92 100 - 92 - 5.0=44, 1297/2.1=29...(14) H ARG 95 + HG LEU 45 OK 56 100 - 56 - 1631=13, 4025/2.1=10...(13) Peak 4012 from cnoeabs.peaks (4.15, 1.88, 26.77 ppm; 4.01 A): 2 out of 8 assignments used, quality = 1.00: * HA LEU 45 + HG LEU 45 OK 99 100 - 99 - 4.3=83, 3996/2.1=36...(18) HA ARG 95 + HG LEU 45 OK 60 100 - 60 - 3.0/4011=12, 4026/2.1=12...(16) HA ALA 124 - HG LEU 45 lone 9 99 - 9 - 10630=2, 10630/3.0=1, 4026/2.1=1 HA LEU 63 - HG LEU 45 lone 8 81 - 10 - 4026/2.1=2, 4715/2.1=2...(5) HA LEU 70 - HG LEU 45 lone 2 84 - 2 - HA VAL 22 - HG LEU 45 lone 1 73 - 2 - HA GLN 122 - HG LEU 45 lone 1 84 - 1 - HA GLU 89 - HG LEU 45 lone 1 100 - 1 - Peak 4013 from cnoeabs.peaks (1.90, 1.88, 26.77 ppm; 2.44 A): 3 out of 20 assignments used, quality = 0.84: * HB2 LEU 45 + HG LEU 45 OK 75 100 - 75 - 3.0=55, 4020/2.1=9...(14) HB2 ARG 95 + HG LEU 45 OK 31 97 - 32 - 6027=10, 1.8/6035=5...(12) HB3 LYS 44 + HG LEU 45 OK 10 100 - 10 - 4.7/4011=4, 4020/2.1=2 HB2 LYS 44 - HG LEU 45 lone 9 97 - 10 - 4.7/4011=4, 4020/2.1=1 HB2 LYS 73 - HG LEU 45 lone 5 94 - 5 - HB3 LYS 73 - HG LEU 45 lone 5 92 - 5 - HB2 LYS 43 - HG LEU 45 lone 5 100 - 5 - HB3 LYS 43 - HG LEU 45 lone 4 100 - 4 - HB2 LYS 96 - HG LEU 45 lone 4 100 - 4 - 4.1/607=1 HB3 LYS 20 - HG LEU 45 lone 3 81 - 4 - HB2 LYS 20 - HG LEU 45 lone 3 81 - 4 - HB ILE 71 - HG LEU 45 lone 2 96 - 2 - HB2 GLU 128 - HG LEU 45 lone 1 100 - 1 - HB ILE 15 - HG LEU 45 lone 1 90 - 1 - HB ILE 7 - HG LEU 45 lone 1 87 - 1 - HB3 LYS 123 - HG LEU 45 lone 1 92 - 1 - HG2 MET 121 - HG LEU 45 lone 1 84 - 1 - HB2 LYS 49 - HG LEU 45 lone 0 99 - 0 - HB2 LEU 81 - HG LEU 45 lone 0 77 - 0 - HB3 LYS 17 - HG LEU 45 lone 0 65 - 0 - Peak 4014 from cnoeabs.peaks (1.49, 1.88, 26.77 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 45 + HG LEU 45 OK 100 100 - 100 - 3.0=100 Peak 4015 from cnoeabs.peaks (1.88, 1.88, 26.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 45 + HG LEU 45 OK 100 100 - 100 Peak 4016 from cnoeabs.peaks (0.75, 1.88, 26.77 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 45 + HG LEU 45 OK 100 100 - 100 - 2.1=100 Peak 4017 from cnoeabs.peaks (0.72, 1.88, 26.77 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 45 + HG LEU 45 OK 100 100 - 100 - 2.1=100 Peak 4018 from cnoeabs.peaks (8.16, 0.75, 25.49 ppm; 4.99 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 45 + QD1 LEU 45 OK 100 100 - 100 - 4.7=100 Peak 4019 from cnoeabs.peaks (4.15, 0.75, 25.49 ppm; 4.20 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 45 + QD1 LEU 45 OK 100 100 - 100 - 4.0=100 HA LEU 63 - QD1 LEU 63 OK 24 24 - 100 - 4.0=100 Peak 4020 from cnoeabs.peaks (1.90, 0.75, 25.49 ppm; 2.94 A): 1 out of 40 assignments used, quality = 0.95: * HB2 LEU 45 + QD1 LEU 45 OK 95 100 - 95 - 3.1=82, 1.8/4021=27...(16) HB2 ARG 95 - QD1 LEU 45 OK 28 97 - 29 - 6027/2.1=7, 4027/2.1=4...(9) HB3 LYS 44 - QD1 LEU 45 OK 17 100 - 17 - 4.7/1297=8, 4027/2.1=2...(5) HB2 LYS 44 - QD1 LEU 45 OK 16 97 - 16 - 4.7/1297=8, 4027/2.1=2...(5) HB2 LYS 73 - QD1 LEU 45 lone 8 94 - 9 - 2.9/4021=1, 4027/2.1=1 HB3 LYS 73 - QD1 LEU 45 lone 8 92 - 9 - 2.9/4021=1, 4027/2.1=1 HB2 LYS 43 - QD1 LEU 45 lone 6 100 - 6 - 7511/4.7=1, 4013/2.1=1 HB3 LYS 43 - QD1 LEU 45 lone 6 100 - 6 - HB3 LYS 20 - QD1 LEU 45 lone 5 81 - 6 - HB2 LYS 20 - QD1 LEU 45 lone 5 81 - 6 - HB ILE 71 - QD1 LEU 45 lone 4 96 - 5 - 9794/9446=1 HB2 LYS 96 - QD1 LEU 45 lone 4 100 - 4 - HB ILE 15 - QD1 LEU 45 lone 2 90 - 3 - HB2 LEU 45 - QD1 LEU 63 lone 2 36 - 6 - 3.0/3995=1, 4.0/1297=1 HB ILE 7 - QD1 LEU 45 lone 2 87 - 2 - HG2 MET 121 - QD1 LEU 45 lone 1 84 - 1 - HB3 LYS 123 - QD1 LEU 45 lone 1 92 - 1 - HB2 GLU 128 - QD1 LEU 45 lone 1 100 - 1 - HB2 LEU 81 - QD1 LEU 45 lone 1 77 - 1 - HB3 LYS 17 - QD1 LEU 45 lone 1 65 - 1 - HB3 LYS 44 - QD1 LEU 63 lone 1 35 - 2 - 4.7/1297=1 HB2 LYS 44 - QD1 LEU 63 lone 1 32 - 2 - 4.7/1297=1 HB2 LYS 49 - QD1 LEU 45 lone 0 99 - 0 - HB ILE 7 - QD1 LEU 63 lone 0 27 - 2 - HB2 ARG 95 - QD1 LEU 63 lone 0 32 - 1 - HB2 LEU 81 - QD1 LEU 63 lone 0 23 - 2 - HG2 MET 121 - QD1 LEU 63 lone 0 25 - 1 - HB2 GLU 128 - QD1 LEU 63 lone 0 35 - 1 - HB3 LYS 20 - QD1 LEU 63 lone 0 24 - 1 - HB2 LYS 20 - QD1 LEU 63 lone 0 24 - 1 - HB ILE 71 - QD1 LEU 63 lone 0 31 - 1 - HB3 LYS 43 - QD1 LEU 63 lone 0 35 - 1 - HB2 LYS 96 - QD1 LEU 63 lone 0 35 - 1 - HB2 LYS 43 - QD1 LEU 63 lone 0 35 - 1 - HB3 LYS 123 - QD1 LEU 63 lone 0 29 - 1 - HB2 LYS 73 - QD1 LEU 63 lone 0 30 - 1 - HB3 LYS 73 - QD1 LEU 63 lone 0 29 - 0 - HB ILE 15 - QD1 LEU 63 lone 0 28 - 0 - HB3 LYS 17 - QD1 LEU 63 lone 0 18 - 1 - HB2 LYS 49 - QD1 LEU 63 lone 0 34 - 0 - Peak 4021 from cnoeabs.peaks (1.49, 0.75, 25.49 ppm; 2.94 A): 1 out of 16 assignments used, quality = 0.94: * HB3 LEU 45 + QD1 LEU 45 OK 94 100 - 94 - 3.1=82, 3.0/3995=17...(16) HG3 LYS 73 - QD1 LEU 45 lone 6 96 - 6 - 1295/4.7=2 HG3 LYS 20 - QD1 LEU 45 lone 4 92 - 4 - QB ALA 124 - QD1 LEU 45 lone 2 65 - 3 - HB3 LEU 14 - QD1 LEU 45 lone 2 87 - 2 - HB3 LEU 45 - QD1 LEU 63 lone 2 36 - 6 - 3.0/3995=1, 4.0/1297=1 HG2 ARG 30 - QD1 LEU 45 lone 2 90 - 2 - HD2 LYS 53 - QD1 LEU 45 lone 1 98 - 1 - HD2 LYS 53 - QD1 LEU 63 lone 1 33 - 3 - HG3 ARG 118 - QD1 LEU 45 lone 1 100 - 1 - HG2 ARG 30 - QD1 LEU 63 lone 1 28 - 2 - HG3 LYS 20 - QD1 LEU 63 lone 0 29 - 1 - HG3 LYS 73 - QD1 LEU 63 lone 0 31 - 1 - HB3 LEU 14 - QD1 LEU 63 lone 0 27 - 1 - QB ALA 124 - QD1 LEU 63 lone 0 18 - 1 - HG3 ARG 118 - QD1 LEU 63 lone 0 35 - 0 - Peak 4022 from cnoeabs.peaks (1.88, 0.75, 25.49 ppm; 2.91 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 45 + QD1 LEU 45 OK 100 100 - 100 - 2.1=100 Peak 4023 from cnoeabs.peaks (0.75, 0.75, 25.49 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * QD1 LEU 45 + QD1 LEU 45 OK 100 100 - 100 QD1 LEU 63 - QD1 LEU 63 OK 25 25 - 100 Peak 4024 from cnoeabs.peaks (0.72, 0.75, 25.49 ppm; 2.40 A): 1 out of 2 assignments used, quality = 1.00: * QD2 LEU 45 + QD1 LEU 45 OK 100 100 - 100 - 2.1=100 QD2 LEU 63 - QD1 LEU 63 OK 21 21 - 100 - 2.1=100 Peak 4025 from cnoeabs.peaks (8.16, 0.72, 23.70 ppm; 4.34 A): 2 out of 2 assignments used, quality = 0.99: * H LEU 45 + QD2 LEU 45 OK 98 100 - 98 - 4.7=80, 1297/2.1=35...(13) H ARG 95 + QD2 LEU 45 OK 56 100 - 56 - 4011/2.1=16, 3997/3.1=12...(10) Peak 4026 from cnoeabs.peaks (4.15, 0.72, 23.70 ppm; 3.25 A): 2 out of 8 assignments used, quality = 0.94: * HA LEU 45 + QD2 LEU 45 OK 90 100 - 90 - 4.0=55, 3995/2.1=27...(19) HA ARG 95 + QD2 LEU 45 OK 39 100 - 39 - 6019/2.1=8, 3.0/4025=6...(14) HA LEU 63 - QD2 LEU 45 lone 6 81 - 7 - 4715/2.1=1, 3.6/7524=1 HA ALA 124 - QD2 LEU 45 lone 4 99 - 4 - 10630/2.1=1 HA VAL 22 - QD2 LEU 45 lone 1 73 - 2 - HA LEU 70 - QD2 LEU 45 lone 1 84 - 1 - HA GLN 122 - QD2 LEU 45 lone 1 84 - 1 - HA GLU 89 - QD2 LEU 45 lone 0 100 - 0 - Peak 4027 from cnoeabs.peaks (1.90, 0.72, 23.70 ppm; 3.09 A): 1 out of 20 assignments used, quality = 0.99: * HB2 LEU 45 + QD2 LEU 45 OK 99 100 - 99 - 3.1=96, 3.0/3996=20...(14) HB2 ARG 95 - QD2 LEU 45 OK 37 97 - 39 - 6027/2.1=8, 3.0/4026=6...(13) HB3 LYS 44 - QD2 LEU 45 OK 20 100 - 20 - 4.7/1298=9, 4020/2.1=3...(7) HB2 LYS 44 - QD2 LEU 45 OK 18 97 - 19 - 4.7/1298=9, 4020/2.1=2...(7) HB2 LYS 73 - QD2 LEU 45 poor 9 94 - 10 - 4020/2.1=1, 4013/2.1=1 HB3 LYS 73 - QD2 LEU 45 lone 9 92 - 10 - 4020/2.1=1, 4013/2.1=1 HB2 LYS 43 - QD2 LEU 45 lone 7 100 - 8 - 7511/4.7=1, 4013/2.1=1 HB3 LYS 43 - QD2 LEU 45 lone 7 100 - 7 - 1294/4.7=1, 4013/2.1=1 HB2 LYS 20 - QD2 LEU 45 lone 6 81 - 8 - HB3 LYS 20 - QD2 LEU 45 lone 6 81 - 8 - HB2 LYS 96 - QD2 LEU 45 lone 6 100 - 6 - HB ILE 71 - QD2 LEU 45 lone 5 96 - 5 - 9794/9449=1 HB ILE 7 - QD2 LEU 45 lone 2 87 - 2 - HB ILE 15 - QD2 LEU 45 lone 2 90 - 2 - HG2 MET 121 - QD2 LEU 45 lone 2 84 - 2 - HB3 LYS 123 - QD2 LEU 45 lone 1 92 - 1 - HB2 GLU 128 - QD2 LEU 45 lone 1 100 - 1 - HB3 LYS 17 - QD2 LEU 45 lone 1 65 - 2 - HB2 LEU 81 - QD2 LEU 45 lone 1 77 - 1 - HB2 LYS 49 - QD2 LEU 45 lone 0 99 - 0 - Peak 4028 from cnoeabs.peaks (1.49, 0.72, 23.70 ppm; 3.44 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 45 + QD2 LEU 45 OK 100 100 - 100 - 3.1=100 Peak 4029 from cnoeabs.peaks (1.88, 0.72, 23.70 ppm; 3.14 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 45 + QD2 LEU 45 OK 100 100 - 100 - 2.1=100 Peak 4030 from cnoeabs.peaks (0.75, 0.72, 23.70 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 45 + QD2 LEU 45 OK 100 100 - 100 - 2.1=100 Peak 4031 from cnoeabs.peaks (0.72, 0.72, 23.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 45 + QD2 LEU 45 OK 100 100 - 100 Peak 4032 from cnoeabs.peaks (7.64, 4.25, 53.67 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 46 + HA ALA 46 OK 100 100 - 100 - 3.0=100 Peak 4033 from cnoeabs.peaks (4.25, 4.25, 53.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 46 + HA ALA 46 OK 100 100 - 100 Peak 4034 from cnoeabs.peaks (1.55, 4.25, 53.67 ppm; 2.98 A): 1 out of 1 assignment used, quality = 1.00: * QB ALA 46 + HA ALA 46 OK 100 100 - 100 - 2.1=100 Peak 4035 from cnoeabs.peaks (7.64, 1.55, 18.88 ppm; 2.94 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 46 + QB ALA 46 OK 100 100 - 100 - 2.9=100 Peak 4036 from cnoeabs.peaks (4.25, 1.55, 18.88 ppm; 2.79 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 46 + QB ALA 46 OK 100 100 - 100 - 2.1=100 Peak 4037 from cnoeabs.peaks (1.55, 1.55, 18.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 46 + QB ALA 46 OK 100 100 - 100 Peak 4038 from cnoeabs.peaks (7.71, 4.25, 56.93 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 47 + HA GLU 47 OK 100 100 - 100 - 3.0=100 Peak 4039 from cnoeabs.peaks (4.25, 4.25, 56.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 47 + HA GLU 47 OK 100 100 - 100 Peak 4040 from cnoeabs.peaks (2.06, 4.25, 56.93 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 47 + HA GLU 47 OK 100 100 - 100 - 3.0=100 Peak 4041 from cnoeabs.peaks (2.11, 4.25, 56.93 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 47 + HA GLU 47 OK 100 100 - 100 - 3.0=100 Peak 4042 from cnoeabs.peaks (2.29, 4.25, 56.93 ppm; 3.57 A): 1 out of 8 assignments used, quality = 0.93: * HG2 GLU 47 + HA GLU 47 OK 93 100 - 93 - 3.9=76, 1.8/4063=20...(11) HG3 GLU 87 - HA GLU 47 OK 19 100 - 19 - 1306/3.0=5, 4057=4...(6) HG2 GLU 87 - HA GLU 47 OK 19 100 - 19 - 1306/3.0=5, 4057=4...(6) HG2 GLU 111 - HA GLU 47 lone 2 96 - 3 - HG3 GLU 91 - HA GLU 47 lone 2 96 - 2 - HG3 GLU 89 - HA GLU 47 lone 1 73 - 2 - HG3 GLU 13 - HA GLU 47 lone 1 77 - 1 - HB2 MET 121 - HA GLU 47 lone 1 99 - 1 - Peak 4043 from cnoeabs.peaks (2.50, 4.25, 56.93 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 47 + HA GLU 47 OK 100 100 - 100 - 3.9=100 Peak 4044 from cnoeabs.peaks (7.71, 2.06, 30.42 ppm; 3.83 A): 1 out of 6 assignments used, quality = 0.97: * H GLU 47 + HB2 GLU 47 OK 97 100 - 97 - 4.0=87, 4050/1.8=32...(8) H LEU 70 - HB2 GLU 47 OK 16 99 - 16 - 4050/1.8=5, 3.6/8091=4...(4) H LYS 73 - HB2 GLU 47 lone 7 92 - 7 - 4050/1.8=2, 4062/3.0=2 H GLU 47 - HB2 GLN 28 lone 1 95 - 1 - H LEU 70 - HB2 GLN 28 lone 1 93 - 1 - H LYS 73 - HB2 GLN 28 lone 0 84 - 1 - Peak 4045 from cnoeabs.peaks (4.25, 2.06, 30.42 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 47 + HB2 GLU 47 OK 100 100 - 100 - 3.0=100 Peak 4046 from cnoeabs.peaks (2.06, 2.06, 30.42 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 47 + HB2 GLU 47 OK 100 100 - 100 HB2 GLN 28 + HB2 GLN 28 OK 91 91 - 100 Peak 4047 from cnoeabs.peaks (2.11, 2.06, 30.42 ppm; 2.69 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 47 + HB2 GLU 47 OK 100 100 - 100 - 1.8=100 Peak 4048 from cnoeabs.peaks (2.29, 2.06, 30.42 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 47 + HB2 GLU 47 OK 100 100 - 100 - 3.0=100 Peak 4049 from cnoeabs.peaks (2.50, 2.06, 30.42 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 47 + HB2 GLU 47 OK 100 100 - 100 - 3.0=100 Peak 4050 from cnoeabs.peaks (7.71, 2.11, 30.42 ppm; 3.70 A): 2 out of 3 assignments used, quality = 0.95: * H GLU 47 + HB3 GLU 47 OK 94 100 - 94 - 4.0=79, 1307/3.0=29...(8) H LEU 70 + HB3 GLU 47 OK 15 99 - 15 - 4044/1.8=5, 3.6/8093=4...(4) H LYS 73 - HB3 GLU 47 lone 6 92 - 7 - 4044/1.8=2, 4062/3.0=2 Peak 4051 from cnoeabs.peaks (4.25, 2.11, 30.42 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 47 + HB3 GLU 47 OK 100 100 - 100 - 3.0=100 Peak 4052 from cnoeabs.peaks (2.06, 2.11, 30.42 ppm; 2.55 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 47 + HB3 GLU 47 OK 100 100 - 100 - 1.8=100 Peak 4053 from cnoeabs.peaks (2.11, 2.11, 30.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 47 + HB3 GLU 47 OK 100 100 - 100 Peak 4054 from cnoeabs.peaks (2.29, 2.11, 30.42 ppm; 3.35 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 47 + HB3 GLU 47 OK 100 100 - 100 - 3.0=100 Peak 4055 from cnoeabs.peaks (2.50, 2.11, 30.42 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 47 + HB3 GLU 47 OK 100 100 - 100 - 3.0=100 Peak 4056 from cnoeabs.peaks (7.71, 2.29, 36.27 ppm; 3.89 A): 4 out of 12 assignments used, quality = 0.94: * H GLU 47 + HG2 GLU 47 OK 89 100 - 89 - 5.2=42, 1307/1.8=41...(8) H GLU 47 + HG3 GLU 87 OK 22 68 - 33 - 1306=9, 1306/1.8=7...(9) H GLU 47 + HG2 GLU 87 OK 22 68 - 33 - 1306=9, 1306/1.8=7...(9) H LEU 70 + HG2 GLU 47 OK 13 99 - 13 - 4062/1.8=5, 4050/3.0=4 H LYS 73 - HG2 GLU 47 lone 7 92 - 7 - 4062/1.8=2, 4050/3.0=2 H LEU 70 - HG2 GLU 111 lone 3 54 - 6 - 7651/1.8=2, 431/3.0=1 H GLU 47 - HG2 GLU 111 lone 3 56 - 5 - 1306=2, 7651/1.8=1 H LEU 70 - HG2 GLU 87 lone 1 66 - 1 - H LEU 70 - HG3 GLU 87 lone 1 66 - 1 - H LYS 73 - HG3 GLU 87 lone 1 57 - 1 - H LYS 73 - HG2 GLU 87 lone 1 57 - 1 - H LYS 73 - HG2 GLU 111 lone 1 46 - 1 - Peak 4057 from cnoeabs.peaks (4.25, 2.29, 36.27 ppm; 3.52 A): 2 out of 20 assignments used, quality = 0.96: * HA GLU 47 + HG2 GLU 47 OK 92 100 - 92 - 3.9=73, 4063/1.8=20...(11) HA ALA 46 + HG2 GLU 47 OK 49 100 - 50 - ~9457=16, ~11239=15...(5) HA GLU 47 - HG3 GLU 87 OK 16 68 - 23 - 4042=7, 4042/1.8=5...(6) HA GLU 47 - HG2 GLU 87 OK 16 68 - 23 - 4042=7, 4042/1.8=5...(6) HA ALA 46 - HG2 GLU 87 OK 15 67 - 23 - 2.1/9458=5, ~11299=4...(7) HA ALA 46 - HG3 GLU 87 OK 15 67 - 23 - 2.1/9458=5, ~11299=4...(7) HA GLU 47 - HG2 GLU 111 lone 2 56 - 3 - HA VAL 32 - HG2 GLU 111 lone 1 55 - 3 - HA GLU 52 - HG2 GLU 47 lone 1 96 - 1 - HA VAL 32 - HG3 GLU 87 lone 1 67 - 2 - HA VAL 32 - HG2 GLU 87 lone 1 67 - 2 - HA GLU 41 - HG2 GLU 47 lone 1 84 - 1 - HA ALA 46 - HG2 GLU 111 lone 1 55 - 2 - HA VAL 32 - HG2 GLU 47 lone 1 100 - 1 - HA GLU 52 - HG2 GLU 87 lone 1 61 - 1 - HA GLU 52 - HG3 GLU 87 lone 1 61 - 1 - HA GLU 52 - HG2 GLU 111 lone 0 49 - 0 - HA GLU 41 - HG2 GLU 87 lone 0 50 - 0 - HA GLU 41 - HG3 GLU 87 lone 0 50 - 0 - HA GLU 41 - HG2 GLU 111 lone 0 40 - 0 - Peak 4058 from cnoeabs.peaks (2.06, 2.29, 36.27 ppm; 2.63 A): 3 out of 76 assignments used, quality = 0.89: * HB2 GLU 47 + HG2 GLU 47 OK 73 100 - 73 - 3.0=67, 3.0/4042=10...(4) HB3 GLU 87 + HG3 GLU 87 OK 36 42 - 84 - 3.0=67, 1.8/5707=14...(15) HB3 GLU 87 + HG2 GLU 87 OK 36 42 - 84 - 3.0=67, 1.8/5707=14...(15) HB3 GLU 91 - HG2 GLU 47 lone 5 84 - 6 - 5834=1, 1.8/5828=1 HB2 GLU 47 - HG3 GLU 87 lone 4 68 - 6 - 3.0/4042=2, 4.0/1306=2, ~4042=1 HB2 GLU 47 - HG2 GLU 87 lone 4 68 - 6 - 3.0/4042=2, 4.0/1306=2, ~4042=1 HB2 GLU 89 - HG2 GLU 87 lone 3 42 - 7 - HB2 GLU 89 - HG3 GLU 87 lone 3 42 - 7 - HB3 GLU 89 - HG2 GLU 87 lone 3 42 - 7 - HB3 GLU 89 - HG3 GLU 87 lone 3 42 - 7 - HB3 GLU 87 - HG2 GLU 47 lone 2 73 - 2 - HB3 GLU 87 - HG2 GLU 111 lone 2 34 - 5 - HB2 GLU 89 - HG2 GLU 111 lone 2 34 - 5 - HB3 GLU 89 - HG2 GLU 111 lone 2 34 - 5 - HB2 GLU 66 - HG3 GLU 87 lone 1 42 - 3 - HB2 GLU 66 - HG2 GLU 87 lone 1 42 - 3 - HB3 GLU 91 - HG2 GLU 87 lone 1 50 - 3 - HB3 GLU 91 - HG3 GLU 87 lone 1 50 - 3 - HB2 GLU 92 - HG2 GLU 111 lone 1 55 - 2 - HB2 GLU 92 - HG2 GLU 87 lone 1 67 - 2 - HB2 GLU 92 - HG3 GLU 87 lone 1 67 - 2 - HB3 GLU 48 - HG2 GLU 47 lone 1 73 - 1 - HB2 GLU 48 - HG2 GLU 47 lone 1 73 - 1 - HB3 GLN 85 - HG3 GLU 87 lone 1 42 - 2 - HB3 GLN 85 - HG2 GLU 87 lone 1 42 - 2 - HB2 GLU 13 - HG2 GLU 87 lone 1 61 - 1 - HB2 GLU 13 - HG3 GLU 87 lone 1 61 - 1 - HB2 LYS 94 - HG2 GLU 47 lone 1 81 - 1 - HB2 GLU 92 - HG2 GLU 47 lone 0 100 - 0 - HB2 GLU 89 - HG2 GLU 47 lone 0 73 - 1 - HB3 GLU 89 - HG2 GLU 47 lone 0 73 - 1 - HB3 GLU 91 - HG2 GLU 111 lone 0 40 - 1 - HB2 GLU 13 - HG2 GLU 47 lone 0 96 - 0 - HB2 LYS 94 - HG2 GLU 87 lone 0 48 - 1 - HB2 LYS 94 - HG3 GLU 87 lone 0 48 - 1 - HB2 GLU 47 - HG2 GLU 111 lone 0 56 - 1 - HB2 GLU 66 - HG2 GLU 111 lone 0 34 - 1 - HB3 MET 67 - HG2 GLU 47 lone 0 97 - 0 - HB3 PHE 79 - HG2 GLU 47 lone 0 61 - 1 - HB VAL 117 - HG3 GLU 87 lone 0 59 - 1 - HB VAL 117 - HG2 GLU 87 lone 0 59 - 1 - HB3 GLU 98 - HG2 GLU 87 lone 0 67 - 0 - HB3 GLU 98 - HG3 GLU 87 lone 0 67 - 0 - HB3 GLU 98 - HG2 GLU 47 lone 0 100 - 0 - HB3 PHE 79 - HG3 GLU 87 lone 0 35 - 1 - HB3 PHE 79 - HG2 GLU 87 lone 0 35 - 1 - HB2 GLU 66 - HG2 GLU 47 lone 0 73 - 0 - HB3 GLN 100 - HG2 GLU 47 lone 0 96 - 0 - HB3 PHE 79 - HG2 GLU 111 lone 0 27 - 1 - HB2 GLN 28 - HG2 GLU 47 lone 0 98 - 0 - HG3 GLU 52 - HG2 GLU 47 lone 0 87 - 0 - HB3 GLN 100 - HG2 GLU 111 lone 0 49 - 0 - HB3 GLN 85 - HG2 GLU 47 lone 0 73 - 0 - HB VAL 117 - HG2 GLU 47 lone 0 94 - 0 - HB3 GLN 100 - HG2 GLU 87 lone 0 61 - 0 - HB3 GLN 100 - HG3 GLU 87 lone 0 61 - 0 - HB3 MET 67 - HG3 GLU 87 lone 0 62 - 0 - HB3 MET 67 - HG2 GLU 87 lone 0 62 - 0 - HB2 GLU 13 - HG2 GLU 111 lone 0 49 - 0 - HB3 GLN 85 - HG2 GLU 111 lone 0 34 - 1 - HB3 GLU 98 - HG2 GLU 111 lone 0 55 - 0 - HB2 GLU 48 - HG3 GLU 87 lone 0 42 - 0 - HB3 GLU 48 - HG2 GLU 87 lone 0 42 - 0 - HB3 GLU 48 - HG3 GLU 87 lone 0 42 - 0 - HB2 GLU 48 - HG2 GLU 87 lone 0 42 - 0 - HG3 GLU 52 - HG2 GLU 87 lone 0 53 - 0 - HG3 GLU 52 - HG3 GLU 87 lone 0 53 - 0 - HB2 GLN 28 - HG3 GLU 87 lone 0 64 - 0 - HB2 GLN 28 - HG2 GLU 87 lone 0 64 - 0 - HB3 MET 67 - HG2 GLU 111 lone 0 51 - 0 - HB VAL 117 - HG2 GLU 111 lone 0 48 - 0 - HB2 GLN 28 - HG2 GLU 111 lone 0 52 - 0 - HB2 LYS 94 - HG2 GLU 111 lone 0 38 - 0 - HG3 GLU 52 - HG2 GLU 111 lone 0 42 - 0 - HB3 GLU 48 - HG2 GLU 111 lone 0 34 - 0 - HB2 GLU 48 - HG2 GLU 111 lone 0 34 - 0 - Peak 4059 from cnoeabs.peaks (2.11, 2.29, 36.27 ppm; 2.63 A): 4 out of 60 assignments used, quality = 0.92: * HB3 GLU 47 + HG2 GLU 47 OK 73 100 - 73 - 3.0=67, 3.0/4042=10...(4) HB2 GLU 87 + HG3 GLU 87 OK 36 42 - 84 - 3.0=67, 1.8/5714=14...(15) HB2 GLU 87 + HG2 GLU 87 OK 36 42 - 84 - 3.0=67, 1.8/5714=14...(15) HB2 GLU 111 + HG2 GLU 111 OK 32 44 - 73 - 3.0=67, 3.0/6595=6...(6) HB2 GLU 91 - HG2 GLU 47 lone 4 77 - 6 - 1.8/5834=1, 5828=1 HB3 GLU 47 - HG2 GLU 87 lone 4 68 - 6 - 3.0/4042=2, 4.0/1306=2, ~4042=1 HB3 GLU 47 - HG3 GLU 87 lone 4 68 - 6 - 3.0/4042=2, 4.0/1306=2, ~4042=1 HB2 GLU 111 - HG2 GLU 87 lone 2 55 - 4 - HB2 GLU 111 - HG3 GLU 87 lone 2 55 - 4 - HB2 GLU 87 - HG2 GLU 47 lone 2 73 - 3 - HB2 GLU 87 - HG2 GLU 111 lone 2 34 - 5 - HB2 LEU 38 - HG2 GLU 87 lone 2 66 - 2 - HB2 LEU 38 - HG3 GLU 87 lone 2 66 - 2 - HB3 GLU 66 - HG2 GLU 87 lone 2 40 - 4 - HB3 GLU 66 - HG3 GLU 87 lone 2 40 - 4 - HB2 GLU 91 - HG3 GLU 87 lone 1 45 - 3 - HB2 GLU 91 - HG2 GLU 87 lone 1 45 - 3 - HB3 GLU 92 - HG2 GLU 111 lone 1 55 - 2 - HB3 GLU 92 - HG2 GLU 87 lone 1 67 - 1 - HB3 GLU 92 - HG3 GLU 87 lone 1 67 - 1 - HB VAL 107 - HG2 GLU 87 lone 1 64 - 1 - HB VAL 107 - HG3 GLU 87 lone 1 64 - 1 - HB3 GLU 119 - HG2 GLU 87 lone 1 66 - 1 - HB3 GLU 119 - HG3 GLU 87 lone 1 66 - 1 - HB2 GLU 119 - HG2 GLU 87 lone 1 62 - 1 - HB2 GLU 119 - HG3 GLU 87 lone 1 62 - 1 - HB2 GLU 111 - HG2 GLU 47 lone 1 90 - 1 - HB3 GLU 92 - HG2 GLU 47 lone 0 100 - 0 - HB3 GLU 119 - HG2 GLU 47 lone 0 99 - 0 - HB3 GLU 119 - HG2 GLU 111 lone 0 54 - 1 - HB2 GLU 119 - HG2 GLU 47 lone 0 97 - 0 - HB3 GLU 47 - HG2 GLU 111 lone 0 56 - 1 - HB2 GLU 119 - HG2 GLU 111 lone 0 51 - 1 - HB3 GLU 66 - HG2 GLU 111 lone 0 32 - 1 - HB2 GLU 91 - HG2 GLU 111 lone 0 36 - 1 - HB VAL 107 - HG2 GLU 111 lone 0 52 - 1 - HG3 GLN 83 - HG2 GLU 111 lone 0 51 - 1 - HB2 LEU 38 - HG2 GLU 47 lone 0 99 - 0 - HB3 GLU 66 - HG2 GLU 47 lone 0 70 - 0 - HG2 GLU 52 - HG2 GLU 47 lone 0 92 - 0 - HB VAL 107 - HG2 GLU 47 lone 0 98 - 0 - HG2 GLU 21 - HG2 GLU 47 lone 0 99 - 0 - HB2 GLU 21 - HG2 GLU 47 lone 0 98 - 0 - HG3 GLU 21 - HG2 GLU 47 lone 0 98 - 0 - HG3 GLN 83 - HG2 GLU 47 lone 0 97 - 0 - HB2 LEU 38 - HG2 GLU 111 lone 0 54 - 0 - HG2 GLU 21 - HG3 GLU 87 lone 0 66 - 0 - HG2 GLU 21 - HG2 GLU 87 lone 0 66 - 0 - HG3 GLU 21 - HG3 GLU 87 lone 0 64 - 0 - HG3 GLU 21 - HG2 GLU 87 lone 0 64 - 0 - HG2 GLU 52 - HG2 GLU 87 lone 0 57 - 0 - HG2 GLU 52 - HG3 GLU 87 lone 0 57 - 0 - HG3 GLN 83 - HG2 GLU 87 lone 0 62 - 0 - HG3 GLN 83 - HG3 GLU 87 lone 0 62 - 0 - HB2 GLU 21 - HG3 GLU 87 lone 0 64 - 0 - HB2 GLU 21 - HG2 GLU 87 lone 0 64 - 0 - HG2 GLU 21 - HG2 GLU 111 lone 0 54 - 0 - HG3 GLU 21 - HG2 GLU 111 lone 0 52 - 0 - HB2 GLU 21 - HG2 GLU 111 lone 0 52 - 0 - HG2 GLU 52 - HG2 GLU 111 lone 0 46 - 0 - Peak 4060 from cnoeabs.peaks (2.29, 2.29, 36.27 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG2 GLU 47 + HG2 GLU 47 OK 100 100 - 100 HG3 GLU 87 + HG3 GLU 87 OK 68 68 - 100 HG2 GLU 87 + HG2 GLU 87 OK 68 68 - 100 HG2 GLU 111 + HG2 GLU 111 OK 49 49 - 100 Peak 4061 from cnoeabs.peaks (2.50, 2.29, 36.27 ppm; 2.56 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 47 + HG2 GLU 47 OK 100 100 - 100 - 1.8=100 Peak 4062 from cnoeabs.peaks (7.71, 2.50, 36.27 ppm; 3.76 A): 2 out of 3 assignments used, quality = 0.90: * H GLU 47 + HG3 GLU 47 OK 88 100 - 88 - 1307=50, 4050/3.0=24...(10) H LEU 70 + HG3 GLU 47 OK 14 99 - 14 - 3.6/11350=4, 4050/3.0=4...(4) H LYS 73 - HG3 GLU 47 lone 7 92 - 7 - 4050/3.0=2, 4044/3.0=2 Peak 4063 from cnoeabs.peaks (4.25, 2.50, 36.27 ppm; 3.82 A): 2 out of 5 assignments used, quality = 0.99: * HA GLU 47 + HG3 GLU 47 OK 99 100 - 99 - 3.9=93, 3.0/1307=31...(16) HA ALA 46 + HG3 GLU 47 OK 58 100 - 58 - 3.6/1307=27...(5) HA GLU 41 - HG3 GLU 47 lone 1 84 - 2 - HA GLU 52 - HG3 GLU 47 lone 1 96 - 1 - HA VAL 32 - HG3 GLU 47 lone 1 100 - 1 - Peak 4064 from cnoeabs.peaks (2.06, 2.50, 36.27 ppm; 3.21 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 47 + HG3 GLU 47 OK 100 100 - 100 - 3.0=100 Peak 4065 from cnoeabs.peaks (2.11, 2.50, 36.27 ppm; 3.25 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 47 + HG3 GLU 47 OK 100 100 - 100 - 3.0=100 Peak 4066 from cnoeabs.peaks (2.29, 2.50, 36.27 ppm; 2.54 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 47 + HG3 GLU 47 OK 100 100 - 100 - 1.8=100 Peak 4067 from cnoeabs.peaks (2.50, 2.50, 36.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 47 + HG3 GLU 47 OK 100 100 - 100 Peak 4068 from cnoeabs.peaks (7.75, 4.37, 56.02 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 48 + HA GLU 48 OK 100 100 - 100 - 3.0=100 Peak 4069 from cnoeabs.peaks (4.37, 4.37, 56.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 48 + HA GLU 48 OK 100 100 - 100 Peak 4070 from cnoeabs.peaks (2.04, 4.37, 56.02 ppm; 3.75 A): 2 out of 2 assignments used, quality = 1.00: HB3 GLU 48 + HA GLU 48 OK 100 100 - 100 - 3.0=100 * HB2 GLU 48 + HA GLU 48 OK 100 100 - 100 - 3.0=100 Peak 4071 from cnoeabs.peaks (2.04, 4.37, 56.02 ppm; 3.75 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 48 + HA GLU 48 OK 100 100 - 100 - 3.0=100 HB2 GLU 48 + HA GLU 48 OK 100 100 - 100 - 3.0=100 Peak 4072 from cnoeabs.peaks (2.20, 4.37, 56.02 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 48 + HA GLU 48 OK 100 100 - 100 - 4.0=100 Peak 4073 from cnoeabs.peaks (2.32, 4.37, 56.02 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 48 + HA GLU 48 OK 100 100 - 100 - 4.0=100 Peak 4074 from cnoeabs.peaks (7.75, 2.04, 29.91 ppm; 4.12 A): 2 out of 2 assignments used, quality = 1.00: H GLU 48 + HB3 GLU 48 OK 100 100 - 100 - 4.1=100 * H GLU 48 + HB2 GLU 48 OK 100 100 - 100 - 4.1=100 Peak 4075 from cnoeabs.peaks (4.37, 2.04, 29.91 ppm; 4.01 A): 2 out of 2 assignments used, quality = 1.00: HA GLU 48 + HB3 GLU 48 OK 100 100 - 100 - 3.0=100 * HA GLU 48 + HB2 GLU 48 OK 100 100 - 100 - 3.0=100 Peak 4076 from cnoeabs.peaks (2.04, 2.04, 29.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 GLU 48 + HB3 GLU 48 OK 100 100 - 100 * HB2 GLU 48 + HB2 GLU 48 OK 100 100 - 100 Peak 4077 from cnoeabs.peaks (2.04, 2.04, 29.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 GLU 48 + HB3 GLU 48 OK 100 100 - 100 HB2 GLU 48 + HB2 GLU 48 OK 100 100 - 100 Reference assignment not found: HB3 GLU 48 - HB2 GLU 48 Peak 4078 from cnoeabs.peaks (2.20, 2.04, 29.91 ppm; 3.01 A): 2 out of 2 assignments used, quality = 1.00: HG2 GLU 48 + HB3 GLU 48 OK 100 100 - 100 - 3.0=100 * HG2 GLU 48 + HB2 GLU 48 OK 100 100 - 100 - 3.0=100 Peak 4079 from cnoeabs.peaks (2.32, 2.04, 29.91 ppm; 3.14 A): 2 out of 2 assignments used, quality = 1.00: HG3 GLU 48 + HB3 GLU 48 OK 100 100 - 100 - 3.0=100 * HG3 GLU 48 + HB2 GLU 48 OK 100 100 - 100 - 3.0=100 Peak 4080 from cnoeabs.peaks (7.75, 2.04, 29.91 ppm; 4.12 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 48 + HB3 GLU 48 OK 100 100 - 100 - 4.1=100 H GLU 48 + HB2 GLU 48 OK 100 100 - 100 - 4.1=100 Peak 4081 from cnoeabs.peaks (4.37, 2.04, 29.91 ppm; 4.01 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 48 + HB3 GLU 48 OK 100 100 - 100 - 3.0=100 HA GLU 48 + HB2 GLU 48 OK 100 100 - 100 - 3.0=100 Peak 4082 from cnoeabs.peaks (2.04, 2.04, 29.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 GLU 48 + HB3 GLU 48 OK 100 100 - 100 HB2 GLU 48 + HB2 GLU 48 OK 100 100 - 100 Reference assignment not found: HB2 GLU 48 - HB3 GLU 48 Peak 4083 from cnoeabs.peaks (2.04, 2.04, 29.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 48 + HB3 GLU 48 OK 100 100 - 100 HB2 GLU 48 + HB2 GLU 48 OK 100 100 - 100 Peak 4084 from cnoeabs.peaks (2.20, 2.04, 29.91 ppm; 3.01 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 48 + HB3 GLU 48 OK 100 100 - 100 - 3.0=100 HG2 GLU 48 + HB2 GLU 48 OK 100 100 - 100 - 3.0=100 Peak 4085 from cnoeabs.peaks (2.32, 2.04, 29.91 ppm; 3.14 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 48 + HB3 GLU 48 OK 100 100 - 100 - 3.0=100 HG3 GLU 48 + HB2 GLU 48 OK 100 100 - 100 - 3.0=100 Peak 4086 from cnoeabs.peaks (7.75, 2.20, 36.01 ppm; 4.82 A): 1 out of 2 assignments used, quality = 0.92: * H GLU 48 + HG2 GLU 48 OK 92 100 - 92 - 5.1=83, 1313/1.8=32...(5) H LEU 114 - HG2 GLU 48 lone 2 99 - 2 - 4092/1.8=1 Peak 4087 from cnoeabs.peaks (4.37, 2.20, 36.01 ppm; 5.24 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 48 + HG2 GLU 48 OK 100 100 - 100 - 4.0=100 Peak 4088 from cnoeabs.peaks (2.04, 2.20, 36.01 ppm; 2.82 A): 2 out of 17 assignments used, quality = 0.98: * HB2 GLU 48 + HG2 GLU 48 OK 87 100 - 87 - 3.0=83, 4.1/4086=8...(8) HB3 GLU 48 + HG2 GLU 48 OK 87 100 - 87 - 3.0=83, 4.1/4086=8...(8) HB2 GLU 47 - HG2 GLU 48 lone 6 73 - 8 - 4.6/4086=7 HB2 GLU 92 - HG2 GLU 48 lone 2 84 - 2 - HB2 GLU 89 - HG2 GLU 48 lone 1 100 - 1 - HB3 GLU 89 - HG2 GLU 48 lone 1 100 - 1 - HB2 GLU 66 - HG2 GLU 48 lone 1 100 - 1 - HB3 MET 67 - HG2 GLU 48 lone 1 94 - 1 - HB3 GLU 111 - HG2 GLU 48 lone 0 70 - 1 - HB3 GLU 87 - HG2 GLU 48 lone 0 100 - 0 - HB3 GLN 85 - HG2 GLU 48 lone 0 100 - 0 - HB VAL 117 - HG2 GLU 48 lone 0 97 - 0 - HG3 GLU 52 - HG2 GLU 48 lone 0 99 - 0 - HB3 GLN 100 - HG2 GLU 48 lone 0 96 - 0 - HB3 GLU 98 - HG2 GLU 48 lone 0 84 - 0 - HB2 MET 1 - HG2 GLU 48 lone 0 92 - 0 - HB2 GLN 25 - HG2 GLU 48 lone 0 61 - 0 - Peak 4089 from cnoeabs.peaks (2.04, 2.20, 36.01 ppm; 2.82 A): 2 out of 17 assignments used, quality = 0.98: HB2 GLU 48 + HG2 GLU 48 OK 87 100 - 87 - 3.0=83, 4.1/4086=8...(8) * HB3 GLU 48 + HG2 GLU 48 OK 87 100 - 87 - 3.0=83, 4.1/4086=8...(8) HB2 GLU 47 - HG2 GLU 48 lone 6 73 - 8 - 4.6/4086=7 HB2 GLU 92 - HG2 GLU 48 lone 2 84 - 2 - HB2 GLU 89 - HG2 GLU 48 lone 1 100 - 1 - HB3 GLU 89 - HG2 GLU 48 lone 1 100 - 1 - HB2 GLU 66 - HG2 GLU 48 lone 1 100 - 1 - HB3 MET 67 - HG2 GLU 48 lone 1 94 - 1 - HB3 GLU 111 - HG2 GLU 48 lone 0 70 - 1 - HB3 GLU 87 - HG2 GLU 48 lone 0 100 - 0 - HB3 GLN 85 - HG2 GLU 48 lone 0 100 - 0 - HB VAL 117 - HG2 GLU 48 lone 0 97 - 0 - HG3 GLU 52 - HG2 GLU 48 lone 0 99 - 0 - HB3 GLN 100 - HG2 GLU 48 lone 0 96 - 0 - HB3 GLU 98 - HG2 GLU 48 lone 0 84 - 0 - HB2 MET 1 - HG2 GLU 48 lone 0 92 - 0 - HB2 GLN 25 - HG2 GLU 48 lone 0 61 - 0 - Peak 4090 from cnoeabs.peaks (2.20, 2.20, 36.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 48 + HG2 GLU 48 OK 100 100 - 100 Peak 4091 from cnoeabs.peaks (2.32, 2.20, 36.01 ppm; 2.94 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 48 + HG2 GLU 48 OK 100 100 - 100 - 1.8=100 Peak 4092 from cnoeabs.peaks (7.75, 2.32, 36.01 ppm; 4.96 A): 1 out of 10 assignments used, quality = 0.96: * H GLU 48 + HG3 GLU 48 OK 96 100 - 96 - 5.1=90, 4086/1.8=41...(5) H GLU 48 - HG2 GLU 92 lone 6 99 - 6 - 1313=3, 284/3.0=1 H GLU 48 - HG3 GLU 89 lone 3 90 - 4 - 1313=2 H LEU 114 - HG2 GLU 92 lone 3 98 - 3 - H LEU 114 - HG3 GLU 48 lone 3 99 - 3 - H LEU 114 - HG3 GLU 89 lone 3 87 - 3 - H GLU 48 - HG3 GLU 13 lone 2 87 - 3 - 1313=1 H LEU 114 - HG3 GLU 13 lone 2 84 - 2 - H GLU 48 - HG3 GLU 103 lone 1 70 - 2 - H LEU 114 - HG3 GLU 103 lone 1 67 - 2 - Peak 4093 from cnoeabs.peaks (4.37, 2.32, 36.01 ppm; 4.96 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 48 + HG3 GLU 48 OK 100 100 - 100 - 4.0=100 Peak 4094 from cnoeabs.peaks (2.04, 2.32, 36.01 ppm; 2.40 A): 5 out of 85 assignments used, quality = 0.99: HB3 GLU 48 + HG3 GLU 48 OK 63 100 - 63 - 3.0=51, 4089/1.8=11...(5) * HB2 GLU 48 + HG3 GLU 48 OK 63 100 - 63 - 3.0=51, 4089/1.8=11...(5) HB3 GLU 89 + HG3 GLU 89 OK 62 90 - 68 - 3.0=51, 5761/1.8=7...(12) HB2 GLU 89 + HG3 GLU 89 OK 62 90 - 68 - 3.0=51, 5761/1.8=7...(12) HB2 GLU 92 + HG2 GLU 92 OK 59 82 - 72 - 3.0=51, 5858/1.8=12...(13) HB3 GLU 89 - HG2 GLU 92 OK 26 99 - 26 - 5762=3, 3.0/5750=3...(12) HB2 GLU 89 - HG2 GLU 92 OK 26 99 - 26 - 5756=3, 3.0/5750=3...(12) HB2 GLU 92 - HG3 GLU 89 OK 18 70 - 26 - 1.8/5863=5, 5858/1.8=4...(9) HB2 GLU 92 - HG3 GLU 13 poor 8 67 - 12 - 1.8/5863=2, 5857=2...(6) HB2 GLU 66 - HG2 GLU 92 lone 4 99 - 4 - HB2 GLU 47 - HG3 GLU 48 lone 3 73 - 5 - 4.6/1313=4 HB2 GLU 66 - HG3 GLU 89 lone 3 90 - 4 - HB2 GLU 92 - HG3 GLU 103 lone 3 52 - 5 - 1.8/5863=1 HB3 GLU 87 - HG3 GLU 89 lone 3 90 - 3 - HB2 GLU 92 - HG3 GLU 48 lone 2 84 - 2 - HB2 GLU 89 - HG3 GLU 13 lone 2 87 - 2 - HB3 GLU 89 - HG3 GLU 13 lone 2 87 - 2 - HB3 GLU 98 - HG3 GLU 13 lone 2 67 - 2 - HB3 GLU 89 - HG3 GLU 48 lone 1 100 - 1 - HB2 GLU 89 - HG3 GLU 48 lone 1 100 - 1 - HB2 GLU 89 - HG3 GLU 103 lone 1 70 - 2 - HB3 GLU 89 - HG3 GLU 103 lone 1 70 - 2 - HB3 GLU 111 - HG3 GLU 89 lone 1 57 - 2 - HB2 GLU 66 - HG3 GLU 13 lone 1 87 - 1 - HB3 GLU 87 - HG2 GLU 92 lone 1 99 - 1 - HB3 GLN 85 - HG3 GLU 89 lone 1 90 - 1 - HB3 GLU 98 - HG3 GLU 89 lone 1 70 - 1 - HB3 GLU 48 - HG2 GLU 92 lone 1 99 - 1 - HB2 GLU 48 - HG2 GLU 92 lone 1 99 - 1 - HB3 GLN 100 - HG2 GLU 92 lone 1 94 - 1 - HB3 GLU 98 - HG2 GLU 92 lone 1 82 - 1 - HB3 GLN 85 - HG3 GLU 13 lone 1 87 - 1 - HB3 GLN 100 - HG3 GLU 13 lone 1 79 - 1 - HB2 GLU 66 - HG3 GLU 48 lone 0 100 - 0 - HB3 GLU 111 - HG2 GLU 92 lone 1 68 - 1 - HB3 GLN 100 - HG3 GLU 89 lone 0 83 - 1 - HB3 GLU 48 - HG3 GLU 89 lone 0 90 - 0 - HB2 GLU 48 - HG3 GLU 89 lone 0 90 - 0 - HB3 GLN 85 - HG2 GLU 92 lone 0 99 - 0 - HB3 GLU 87 - HG3 GLU 13 lone 0 87 - 0 - HB3 GLU 87 - HG3 GLU 103 lone 0 70 - 1 - HB2 GLU 66 - HG3 GLU 103 lone 0 70 - 0 - HB2 GLU 47 - HG2 GLU 92 lone 0 71 - 0 - HB3 GLU 111 - HG3 GLU 48 lone 0 70 - 0 - HB3 GLU 48 - HG3 GLU 13 lone 0 87 - 0 - HB2 GLU 48 - HG3 GLU 13 lone 0 87 - 0 - HB3 GLU 87 - HG3 GLU 48 lone 0 100 - 0 - HB3 GLN 85 - HG3 GLU 48 lone 0 100 - 0 - HB3 MET 67 - HG3 GLU 89 lone 0 81 - 0 - HB VAL 117 - HG3 GLU 13 lone 0 81 - 0 - HB2 GLU 47 - HG3 GLU 89 lone 0 60 - 0 - HB VAL 117 - HG3 GLU 48 lone 0 97 - 0 - HB3 MET 67 - HG2 GLU 92 lone 0 92 - 0 - HB3 MET 67 - HG3 GLU 48 lone 0 94 - 0 - HB3 GLU 98 - HG3 GLU 48 lone 0 84 - 0 - HB3 GLN 100 - HG3 GLU 48 lone 0 96 - 0 - HB VAL 117 - HG2 GLU 92 lone 0 96 - 0 - HB VAL 117 - HG3 GLU 89 lone 0 85 - 0 - HG3 GLU 52 - HG3 GLU 48 lone 0 99 - 0 - HG3 GLU 52 - HG2 GLU 92 lone 0 98 - 0 - HB3 GLN 85 - HG3 GLU 103 lone 0 70 - 0 - HB2 MET 1 - HG3 GLU 48 lone 0 92 - 0 - HG3 GLU 52 - HG3 GLU 89 lone 0 89 - 0 - HB2 GLU 47 - HG3 GLU 13 lone 0 57 - 0 - HB2 MET 1 - HG2 GLU 92 lone 0 90 - 0 - HB2 GLU 48 - HG3 GLU 103 lone 0 70 - 0 - HB3 GLU 48 - HG3 GLU 103 lone 0 70 - 0 - HB2 GLN 25 - HG3 GLU 89 lone 0 50 - 0 - HB3 MET 67 - HG3 GLU 13 lone 0 77 - 0 - HB2 MET 1 - HG3 GLU 89 lone 0 78 - 0 - HB3 GLU 98 - HG3 GLU 103 lone 0 52 - 0 - HG3 GLU 52 - HG3 GLU 13 lone 0 85 - 0 - HB3 GLN 100 - HG3 GLU 103 lone 0 63 - 0 - HB3 GLU 111 - HG3 GLU 13 lone 0 54 - 0 - HB2 MET 1 - HG3 GLU 13 lone 0 75 - 0 - HB2 GLN 25 - HG3 GLU 13 lone 0 47 - 0 - HB VAL 117 - HG3 GLU 103 lone 0 65 - 0 - HB2 GLN 25 - HG2 GLU 92 lone 0 60 - 0 - HG3 GLU 52 - HG3 GLU 103 lone 0 68 - 0 - HB2 GLN 25 - HG3 GLU 48 lone 0 61 - 0 - HB3 GLU 111 - HG3 GLU 103 lone 0 41 - 0 - HB3 MET 67 - HG3 GLU 103 lone 0 61 - 0 - HB2 MET 1 - HG3 GLU 103 lone 0 59 - 0 - HB2 GLU 47 - HG3 GLU 103 lone 0 44 - 0 - HB2 GLN 25 - HG3 GLU 103 lone 0 36 - 0 - Peak 4095 from cnoeabs.peaks (2.04, 2.32, 36.01 ppm; 2.40 A): 5 out of 85 assignments used, quality = 0.99: * HB3 GLU 48 + HG3 GLU 48 OK 63 100 - 63 - 3.0=51, 4089/1.8=11...(5) HB2 GLU 48 + HG3 GLU 48 OK 63 100 - 63 - 3.0=51, 4089/1.8=11...(5) HB3 GLU 89 + HG3 GLU 89 OK 62 90 - 68 - 3.0=51, 5761/1.8=7...(12) HB2 GLU 89 + HG3 GLU 89 OK 62 90 - 68 - 3.0=51, 5761/1.8=7...(12) HB2 GLU 92 + HG2 GLU 92 OK 59 82 - 72 - 3.0=51, 5858/1.8=12...(13) HB3 GLU 89 - HG2 GLU 92 OK 26 99 - 26 - 5762=3, 3.0/5750=3...(12) HB2 GLU 89 - HG2 GLU 92 OK 26 99 - 26 - 5756=3, 3.0/5750=3...(12) HB2 GLU 92 - HG3 GLU 89 OK 18 70 - 26 - 1.8/5863=5, 5858/1.8=4...(9) HB2 GLU 92 - HG3 GLU 13 poor 8 67 - 12 - 1.8/5863=2, 5857=2...(6) HB2 GLU 66 - HG2 GLU 92 lone 4 99 - 4 - HB2 GLU 47 - HG3 GLU 48 lone 3 73 - 5 - 4.6/1313=4 HB2 GLU 66 - HG3 GLU 89 lone 3 90 - 4 - HB2 GLU 92 - HG3 GLU 103 lone 3 52 - 5 - 1.8/5863=1 HB3 GLU 87 - HG3 GLU 89 lone 3 90 - 3 - HB2 GLU 92 - HG3 GLU 48 lone 2 84 - 2 - HB2 GLU 89 - HG3 GLU 13 lone 2 87 - 2 - HB3 GLU 89 - HG3 GLU 13 lone 2 87 - 2 - HB3 GLU 98 - HG3 GLU 13 lone 2 67 - 2 - HB3 GLU 89 - HG3 GLU 48 lone 1 100 - 1 - HB2 GLU 89 - HG3 GLU 48 lone 1 100 - 1 - HB2 GLU 89 - HG3 GLU 103 lone 1 70 - 2 - HB3 GLU 89 - HG3 GLU 103 lone 1 70 - 2 - HB3 GLU 111 - HG3 GLU 89 lone 1 57 - 2 - HB2 GLU 66 - HG3 GLU 13 lone 1 87 - 1 - HB3 GLU 87 - HG2 GLU 92 lone 1 99 - 1 - HB3 GLN 85 - HG3 GLU 89 lone 1 90 - 1 - HB3 GLU 98 - HG3 GLU 89 lone 1 70 - 1 - HB3 GLU 48 - HG2 GLU 92 lone 1 99 - 1 - HB2 GLU 48 - HG2 GLU 92 lone 1 99 - 1 - HB3 GLN 100 - HG2 GLU 92 lone 1 94 - 1 - HB3 GLU 98 - HG2 GLU 92 lone 1 82 - 1 - HB3 GLN 85 - HG3 GLU 13 lone 1 87 - 1 - HB3 GLN 100 - HG3 GLU 13 lone 1 79 - 1 - HB2 GLU 66 - HG3 GLU 48 lone 0 100 - 0 - HB3 GLU 111 - HG2 GLU 92 lone 1 68 - 1 - HB3 GLN 100 - HG3 GLU 89 lone 0 83 - 1 - HB3 GLU 48 - HG3 GLU 89 lone 0 90 - 0 - HB2 GLU 48 - HG3 GLU 89 lone 0 90 - 0 - HB3 GLN 85 - HG2 GLU 92 lone 0 99 - 0 - HB3 GLU 87 - HG3 GLU 13 lone 0 87 - 0 - HB3 GLU 87 - HG3 GLU 103 lone 0 70 - 1 - HB2 GLU 66 - HG3 GLU 103 lone 0 70 - 0 - HB2 GLU 47 - HG2 GLU 92 lone 0 71 - 0 - HB3 GLU 111 - HG3 GLU 48 lone 0 70 - 0 - HB3 GLU 48 - HG3 GLU 13 lone 0 87 - 0 - HB2 GLU 48 - HG3 GLU 13 lone 0 87 - 0 - HB3 GLU 87 - HG3 GLU 48 lone 0 100 - 0 - HB3 GLN 85 - HG3 GLU 48 lone 0 100 - 0 - HB3 MET 67 - HG3 GLU 89 lone 0 81 - 0 - HB VAL 117 - HG3 GLU 13 lone 0 81 - 0 - HB2 GLU 47 - HG3 GLU 89 lone 0 60 - 0 - HB VAL 117 - HG3 GLU 48 lone 0 97 - 0 - HB3 MET 67 - HG2 GLU 92 lone 0 92 - 0 - HB3 MET 67 - HG3 GLU 48 lone 0 94 - 0 - HB3 GLU 98 - HG3 GLU 48 lone 0 84 - 0 - HB3 GLN 100 - HG3 GLU 48 lone 0 96 - 0 - HB VAL 117 - HG2 GLU 92 lone 0 96 - 0 - HB VAL 117 - HG3 GLU 89 lone 0 85 - 0 - HG3 GLU 52 - HG3 GLU 48 lone 0 99 - 0 - HG3 GLU 52 - HG2 GLU 92 lone 0 98 - 0 - HB3 GLN 85 - HG3 GLU 103 lone 0 70 - 0 - HB2 MET 1 - HG3 GLU 48 lone 0 92 - 0 - HG3 GLU 52 - HG3 GLU 89 lone 0 89 - 0 - HB2 GLU 47 - HG3 GLU 13 lone 0 57 - 0 - HB2 MET 1 - HG2 GLU 92 lone 0 90 - 0 - HB2 GLU 48 - HG3 GLU 103 lone 0 70 - 0 - HB3 GLU 48 - HG3 GLU 103 lone 0 70 - 0 - HB2 GLN 25 - HG3 GLU 89 lone 0 50 - 0 - HB3 MET 67 - HG3 GLU 13 lone 0 77 - 0 - HB2 MET 1 - HG3 GLU 89 lone 0 78 - 0 - HB3 GLU 98 - HG3 GLU 103 lone 0 52 - 0 - HG3 GLU 52 - HG3 GLU 13 lone 0 85 - 0 - HB3 GLN 100 - HG3 GLU 103 lone 0 63 - 0 - HB3 GLU 111 - HG3 GLU 13 lone 0 54 - 0 - HB2 MET 1 - HG3 GLU 13 lone 0 75 - 0 - HB2 GLN 25 - HG3 GLU 13 lone 0 47 - 0 - HB VAL 117 - HG3 GLU 103 lone 0 65 - 0 - HB2 GLN 25 - HG2 GLU 92 lone 0 60 - 0 - HG3 GLU 52 - HG3 GLU 103 lone 0 68 - 0 - HB2 GLN 25 - HG3 GLU 48 lone 0 61 - 0 - HB3 GLU 111 - HG3 GLU 103 lone 0 41 - 0 - HB3 MET 67 - HG3 GLU 103 lone 0 61 - 0 - HB2 MET 1 - HG3 GLU 103 lone 0 59 - 0 - HB2 GLU 47 - HG3 GLU 103 lone 0 44 - 0 - HB2 GLN 25 - HG3 GLU 103 lone 0 36 - 0 - Peak 4096 from cnoeabs.peaks (2.20, 2.32, 36.01 ppm; 2.45 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 48 + HG3 GLU 48 OK 100 100 - 100 - 1.8=100 Peak 4097 from cnoeabs.peaks (2.32, 2.32, 36.01 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG3 GLU 48 + HG3 GLU 48 OK 100 100 - 100 HG2 GLU 92 + HG2 GLU 92 OK 99 99 - 100 HG3 GLU 89 + HG3 GLU 89 OK 83 83 - 100 HG3 GLU 13 + HG3 GLU 13 OK 77 77 - 100 HG3 GLU 103 + HG3 GLU 103 OK 68 68 - 100 Peak 4098 from cnoeabs.peaks (8.61, 4.32, 56.52 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + HA LYS 49 OK 100 100 - 100 - 2.9=100 Peak 4099 from cnoeabs.peaks (4.32, 4.32, 56.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 49 + HA LYS 49 OK 100 100 - 100 Peak 4100 from cnoeabs.peaks (1.90, 4.32, 56.52 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 49 + HA LYS 49 OK 100 100 - 100 - 3.0=100 Peak 4101 from cnoeabs.peaks (1.75, 4.32, 56.52 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 49 + HA LYS 49 OK 100 100 - 100 - 3.0=100 Peak 4102 from cnoeabs.peaks (1.46, 4.32, 56.52 ppm; 3.75 A): 2 out of 14 assignments used, quality = 1.00: HG3 LYS 49 + HA LYS 49 OK 99 100 - 99 - 3.9=91, 1.8/4139=19...(24) * HG2 LYS 49 + HA LYS 49 OK 99 100 - 99 - 3.9=91, 1.8/4139=19...(24) HB3 LEU 6 - HA LYS 49 lone 2 100 - 2 - HG12 ILE 7 - HA LYS 49 lone 1 100 - 1 - HB3 LEU 38 - HA LYS 49 lone 1 100 - 1 - HB2 LEU 74 - HA LYS 49 lone 1 96 - 1 - HG2 LYS 39 - HA LYS 49 lone 1 100 - 1 - HG3 ARG 30 - HA LYS 49 lone 1 98 - 1 - HG12 ILE 57 - HA LYS 49 lone 1 100 - 1 - HG2 LYS 106 - HA LYS 49 lone 1 100 - 1 - HG LEU 80 - HA LYS 49 lone 1 70 - 1 - HG LEU 4 - HA LYS 49 lone 1 97 - 1 - HG3 LYS 20 - HA LYS 49 lone 1 65 - 1 - HG2 LYS 96 - HA LYS 49 lone 0 65 - 1 - Peak 4103 from cnoeabs.peaks (1.46, 4.32, 56.52 ppm; 3.75 A): 2 out of 14 assignments used, quality = 1.00: * HG3 LYS 49 + HA LYS 49 OK 99 100 - 99 - 3.9=91, 1.8/4139=19...(24) HG2 LYS 49 + HA LYS 49 OK 99 100 - 99 - 3.9=91, 1.8/4139=19...(24) HB3 LEU 6 - HA LYS 49 lone 2 100 - 2 - HG12 ILE 7 - HA LYS 49 lone 1 100 - 1 - HB3 LEU 38 - HA LYS 49 lone 1 100 - 1 - HB2 LEU 74 - HA LYS 49 lone 1 96 - 1 - HG2 LYS 39 - HA LYS 49 lone 1 100 - 1 - HG3 ARG 30 - HA LYS 49 lone 1 98 - 1 - HG12 ILE 57 - HA LYS 49 lone 1 100 - 1 - HG2 LYS 106 - HA LYS 49 lone 1 100 - 1 - HG LEU 80 - HA LYS 49 lone 1 70 - 1 - HG LEU 4 - HA LYS 49 lone 1 97 - 1 - HG3 LYS 20 - HA LYS 49 lone 1 65 - 1 - HG2 LYS 96 - HA LYS 49 lone 0 65 - 1 - Peak 4104 from cnoeabs.peaks (1.65, 4.32, 56.52 ppm; 4.05 A): 2 out of 12 assignments used, quality = 1.00: * HD2 LYS 49 + HA LYS 49 OK 95 100 - 95 - 5.1=49, 1.8/4149=19...(28) HD3 LYS 49 + HA LYS 49 OK 95 100 - 95 - 5.1=49, 1.8/4149=19...(28) HD2 LYS 115 - HA LYS 49 lone 9 100 - 9 - 11596/3.6=2, 4124/3.0=1 HD3 LYS 115 - HA LYS 49 lone 8 98 - 8 - 11596/3.6=2, 4125/3.0=1 HD2 LYS 65 - HA LYS 49 lone 7 100 - 7 - 11596/3.6=1, 4124/3.0=1 HD3 LYS 65 - HA LYS 49 lone 7 100 - 7 - 11596/3.6=1, 4125/3.0=1 HB2 ARG 30 - HA LYS 49 lone 1 100 - 1 - HB ILE 5 - HA LYS 49 lone 1 97 - 1 - HG LEU 114 - HA LYS 49 lone 1 100 - 1 - HB2 GLU 52 - HA LYS 49 lone 1 100 - 1 - HG LEU 90 - HA LYS 49 lone 1 81 - 1 - HG LEU 64 - HA LYS 49 lone 1 90 - 1 - Peak 4105 from cnoeabs.peaks (1.65, 4.32, 56.52 ppm; 4.05 A): 2 out of 12 assignments used, quality = 1.00: HD2 LYS 49 + HA LYS 49 OK 95 100 - 95 - 5.1=49, 1.8/4149=19...(28) * HD3 LYS 49 + HA LYS 49 OK 95 100 - 95 - 5.1=49, 1.8/4149=19...(28) HD2 LYS 115 - HA LYS 49 lone 9 100 - 9 - 11596/3.6=2, 4124/3.0=1 HD3 LYS 115 - HA LYS 49 lone 8 98 - 8 - 11596/3.6=2, 4125/3.0=1 HD2 LYS 65 - HA LYS 49 lone 7 100 - 7 - 11596/3.6=1, 4124/3.0=1 HD3 LYS 65 - HA LYS 49 lone 7 100 - 7 - 11596/3.6=1, 4125/3.0=1 HB2 ARG 30 - HA LYS 49 lone 1 100 - 1 - HB ILE 5 - HA LYS 49 lone 1 97 - 1 - HG LEU 114 - HA LYS 49 lone 1 100 - 1 - HB2 GLU 52 - HA LYS 49 lone 1 100 - 1 - HG LEU 90 - HA LYS 49 lone 1 81 - 1 - HG LEU 64 - HA LYS 49 lone 1 90 - 1 - Peak 4108 from cnoeabs.peaks (8.61, 1.90, 32.46 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + HB2 LYS 49 OK 100 100 - 100 - 4.0=100 Peak 4109 from cnoeabs.peaks (4.32, 1.90, 32.46 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 49 + HB2 LYS 49 OK 100 100 - 100 - 3.0=100 Peak 4110 from cnoeabs.peaks (1.90, 1.90, 32.46 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB2 LYS 49 + HB2 LYS 49 OK 100 100 - 100 HB3 LYS 123 - HB3 LYS 123 OK 30 30 - 100 Peak 4111 from cnoeabs.peaks (1.75, 1.90, 32.46 ppm; 2.61 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 49 + HB2 LYS 49 OK 100 100 - 100 - 1.8=100 Peak 4112 from cnoeabs.peaks (1.46, 1.90, 32.46 ppm; 3.08 A): 2 out of 2 assignments used, quality = 1.00: HG3 LYS 49 + HB2 LYS 49 OK 100 100 - 100 - 3.0=100 * HG2 LYS 49 + HB2 LYS 49 OK 100 100 - 100 - 3.0=100 Peak 4113 from cnoeabs.peaks (1.46, 1.90, 32.46 ppm; 3.08 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 49 + HB2 LYS 49 OK 100 100 - 100 - 3.0=100 HG2 LYS 49 + HB2 LYS 49 OK 100 100 - 100 - 3.0=100 Peak 4114 from cnoeabs.peaks (1.65, 1.90, 32.46 ppm; 2.97 A): 2 out of 24 assignments used, quality = 0.99: HD3 LYS 49 + HB2 LYS 49 OK 89 100 - 89 - 3.9=44, 4151/1.8=16...(36) * HD2 LYS 49 + HB2 LYS 49 OK 89 100 - 89 - 3.9=44, 4151/1.8=16...(36) HD2 LYS 115 - HB2 LYS 49 lone 5 100 - 5 - HD3 LYS 115 - HB2 LYS 49 lone 5 98 - 5 - HD2 LYS 65 - HB2 LYS 49 lone 5 100 - 4 - HD3 LYS 65 - HB2 LYS 49 lone 5 100 - 4 - HD3 LYS 49 - HB3 LYS 123 lone 2 47 - 5 - HD2 LYS 49 - HB3 LYS 123 lone 2 47 - 5 - HD2 LYS 65 - HB3 LYS 123 lone 2 47 - 4 - HD3 LYS 65 - HB3 LYS 123 lone 2 46 - 4 - HD2 LYS 115 - HB3 LYS 123 lone 1 46 - 3 - HD3 LYS 115 - HB3 LYS 123 lone 1 44 - 3 - HB ILE 5 - HB2 LYS 49 lone 1 97 - 1 - HG LEU 114 - HB3 LYS 123 lone 1 46 - 1 - HB2 ARG 30 - HB2 LYS 49 lone 1 100 - 1 - HG LEU 114 - HB2 LYS 49 lone 0 100 - 0 - HG LEU 90 - HB2 LYS 49 lone 0 81 - 1 - HB2 GLU 52 - HB2 LYS 49 lone 0 100 - 0 - HG LEU 64 - HB2 LYS 49 lone 0 90 - 0 - HB ILE 5 - HB3 LYS 123 lone 0 43 - 1 - HG LEU 64 - HB3 LYS 123 lone 0 37 - 1 - HG LEU 90 - HB3 LYS 123 lone 0 32 - 1 - HB2 GLU 52 - HB3 LYS 123 lone 0 46 - 0 - HB2 ARG 30 - HB3 LYS 123 lone 0 47 - 0 - Peak 4115 from cnoeabs.peaks (1.65, 1.90, 32.46 ppm; 2.97 A): 2 out of 24 assignments used, quality = 0.99: * HD3 LYS 49 + HB2 LYS 49 OK 89 100 - 89 - 3.9=44, 4151/1.8=16...(36) HD2 LYS 49 + HB2 LYS 49 OK 89 100 - 89 - 3.9=44, 4151/1.8=16...(36) HD2 LYS 115 - HB2 LYS 49 lone 5 100 - 5 - HD3 LYS 115 - HB2 LYS 49 lone 5 98 - 5 - HD2 LYS 65 - HB2 LYS 49 lone 5 100 - 4 - HD3 LYS 65 - HB2 LYS 49 lone 5 100 - 4 - HD3 LYS 49 - HB3 LYS 123 lone 2 47 - 5 - HD2 LYS 49 - HB3 LYS 123 lone 2 47 - 5 - HD2 LYS 65 - HB3 LYS 123 lone 2 47 - 4 - HD3 LYS 65 - HB3 LYS 123 lone 2 46 - 4 - HD2 LYS 115 - HB3 LYS 123 lone 1 46 - 3 - HD3 LYS 115 - HB3 LYS 123 lone 1 44 - 3 - HB ILE 5 - HB2 LYS 49 lone 1 97 - 1 - HG LEU 114 - HB3 LYS 123 lone 1 46 - 1 - HB2 ARG 30 - HB2 LYS 49 lone 1 100 - 1 - HG LEU 114 - HB2 LYS 49 lone 0 100 - 0 - HG LEU 90 - HB2 LYS 49 lone 0 81 - 1 - HB2 GLU 52 - HB2 LYS 49 lone 0 100 - 0 - HG LEU 64 - HB2 LYS 49 lone 0 90 - 0 - HB ILE 5 - HB3 LYS 123 lone 0 43 - 1 - HG LEU 64 - HB3 LYS 123 lone 0 37 - 1 - HG LEU 90 - HB3 LYS 123 lone 0 32 - 1 - HB2 GLU 52 - HB3 LYS 123 lone 0 46 - 0 - HB2 ARG 30 - HB3 LYS 123 lone 0 47 - 0 - Peak 4116 from cnoeabs.peaks (3.02, 1.90, 32.46 ppm; 5.56 A): 3 out of 4 assignments used, quality = 1.00: HE3 LYS 49 + HB2 LYS 49 OK 100 100 - 100 - 5.1=100 * HE2 LYS 49 + HB2 LYS 49 OK 100 100 - 100 - 5.1=100 HE2 LYS 123 + HB3 LYS 123 OK 46 46 - 100 - 5.1=100 HE3 LYS 123 - HB3 LYS 123 OK 44 44 - 100 - 5.1=100 Peak 4117 from cnoeabs.peaks (3.02, 1.90, 32.46 ppm; 5.56 A): 3 out of 4 assignments used, quality = 1.00: * HE3 LYS 49 + HB2 LYS 49 OK 100 100 - 100 - 5.1=100 HE2 LYS 49 + HB2 LYS 49 OK 100 100 - 100 - 5.1=100 HE2 LYS 123 + HB3 LYS 123 OK 46 46 - 100 - 5.1=100 HE3 LYS 123 - HB3 LYS 123 OK 44 44 - 100 - 5.1=100 Peak 4118 from cnoeabs.peaks (8.61, 1.75, 32.46 ppm; 4.00 A): 1 out of 7 assignments used, quality = 0.98: * H LYS 49 + HB3 LYS 49 OK 98 100 - 98 - 4.0=97, 1319/3.0=12...(9) H ALA 124 - HB3 LYS 49 lone 6 98 - 7 - H GLN 85 - HB3 LYS 49 lone 5 92 - 6 - 4.6/11697=3, 4.6/11698=2 H LYS 94 - HB3 LYS 49 lone 3 100 - 3 - H ILE 71 - HB3 LYS 49 lone 2 94 - 2 - H LEU 80 - HB3 LYS 49 lone 1 98 - 1 - H THR 108 - HB3 LYS 49 lone 1 100 - 1 - Peak 4119 from cnoeabs.peaks (4.32, 1.75, 32.46 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 49 + HB3 LYS 49 OK 100 100 - 100 - 3.0=100 Peak 4120 from cnoeabs.peaks (1.90, 1.75, 32.46 ppm; 2.67 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 49 + HB3 LYS 49 OK 100 100 - 100 - 1.8=100 Peak 4121 from cnoeabs.peaks (1.75, 1.75, 32.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 49 + HB3 LYS 49 OK 100 100 - 100 Peak 4122 from cnoeabs.peaks (1.46, 1.75, 32.46 ppm; 3.26 A): 2 out of 2 assignments used, quality = 1.00: HG3 LYS 49 + HB3 LYS 49 OK 100 100 - 100 - 3.0=100 * HG2 LYS 49 + HB3 LYS 49 OK 100 100 - 100 - 3.0=100 Peak 4123 from cnoeabs.peaks (1.46, 1.75, 32.46 ppm; 3.26 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 49 + HB3 LYS 49 OK 100 100 - 100 - 3.0=100 HG2 LYS 49 + HB3 LYS 49 OK 100 100 - 100 - 3.0=100 Peak 4124 from cnoeabs.peaks (1.65, 1.75, 32.46 ppm; 3.59 A): 2 out of 12 assignments used, quality = 1.00: * HD2 LYS 49 + HB3 LYS 49 OK 99 100 - 99 - 3.9=78, 1.8/4161=21...(45) HD3 LYS 49 + HB3 LYS 49 OK 99 100 - 99 - 3.9=78, 1.8/4161=21...(45) HD2 LYS 115 - HB3 LYS 49 lone 9 100 - 9 - 11596/4.4=1, 4115/1.8=1 HD3 LYS 115 - HB3 LYS 49 lone 9 98 - 9 - 11596/4.4=1, 4115/1.8=1 HD2 LYS 65 - HB3 LYS 49 lone 7 100 - 7 - HD3 LYS 65 - HB3 LYS 49 lone 7 100 - 7 - HG LEU 90 - HB3 LYS 49 lone 1 81 - 2 - HB ILE 5 - HB3 LYS 49 lone 1 97 - 1 - HG LEU 114 - HB3 LYS 49 lone 1 100 - 1 - HB2 ARG 30 - HB3 LYS 49 lone 1 100 - 1 - HB2 GLU 52 - HB3 LYS 49 lone 1 100 - 1 - HG LEU 64 - HB3 LYS 49 lone 1 90 - 1 - Peak 4125 from cnoeabs.peaks (1.65, 1.75, 32.46 ppm; 3.59 A): 2 out of 12 assignments used, quality = 1.00: HD2 LYS 49 + HB3 LYS 49 OK 99 100 - 99 - 3.9=78, 1.8/4161=21...(45) * HD3 LYS 49 + HB3 LYS 49 OK 99 100 - 99 - 3.9=78, 1.8/4161=21...(45) HD2 LYS 115 - HB3 LYS 49 lone 9 100 - 9 - 11596/4.4=1, 4115/1.8=1 HD3 LYS 115 - HB3 LYS 49 lone 9 98 - 9 - 11596/4.4=1, 4115/1.8=1 HD2 LYS 65 - HB3 LYS 49 lone 7 100 - 7 - HD3 LYS 65 - HB3 LYS 49 lone 7 100 - 7 - HG LEU 90 - HB3 LYS 49 lone 1 81 - 2 - HB ILE 5 - HB3 LYS 49 lone 1 97 - 1 - HG LEU 114 - HB3 LYS 49 lone 1 100 - 1 - HB2 ARG 30 - HB3 LYS 49 lone 1 100 - 1 - HB2 GLU 52 - HB3 LYS 49 lone 1 100 - 1 - HG LEU 64 - HB3 LYS 49 lone 1 90 - 1 - Peak 4126 from cnoeabs.peaks (3.02, 1.75, 32.46 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 49 + HB3 LYS 49 OK 100 100 - 100 - 5.1=100 * HE2 LYS 49 + HB3 LYS 49 OK 100 100 - 100 - 5.1=100 Peak 4127 from cnoeabs.peaks (3.02, 1.75, 32.46 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 49 + HB3 LYS 49 OK 100 100 - 100 - 5.1=100 HE2 LYS 49 + HB3 LYS 49 OK 100 100 - 100 - 5.1=100 Peak 4128 from cnoeabs.peaks (8.61, 1.46, 24.65 ppm; 4.63 A): 2 out of 14 assignments used, quality = 1.00: H LYS 49 + HG3 LYS 49 OK 99 100 - 99 - 4.8=89, 4118/3.0=32...(18) * H LYS 49 + HG2 LYS 49 OK 99 100 - 99 - 4.8=89, 4118/3.0=32...(18) H ALA 124 - HG3 LYS 49 lone 5 98 - 5 - 4118/3.0=2 H ALA 124 - HG2 LYS 49 lone 5 98 - 5 - 4118/3.0=2 H LYS 94 - HG2 LYS 49 lone 4 100 - 4 - 4118/3.0=1, 10096/3.0=1 H LYS 94 - HG3 LYS 49 lone 4 100 - 4 - 4118/3.0=1, 10096/3.0=1 H ILE 71 - HG2 LYS 49 lone 4 94 - 4 - 4.0/9789=1 H ILE 71 - HG3 LYS 49 lone 4 94 - 4 - 4.0/9789=1 H LEU 80 - HG2 LYS 49 lone 3 98 - 3 - H LEU 80 - HG3 LYS 49 lone 3 98 - 3 - H GLN 85 - HG3 LYS 49 lone 3 92 - 3 - 4118/3.0=2 H GLN 85 - HG2 LYS 49 lone 3 92 - 3 - 4118/3.0=2 H THR 108 - HG2 LYS 49 lone 1 100 - 1 - H THR 108 - HG3 LYS 49 lone 1 100 - 1 - Peak 4129 from cnoeabs.peaks (4.32, 1.46, 24.65 ppm; 3.58 A): 2 out of 10 assignments used, quality = 1.00: * HA LYS 49 + HG2 LYS 49 OK 96 100 - 96 - 3.9=79, 4103/1.8=16...(24) HA LYS 49 + HG3 LYS 49 OK 96 100 - 96 - 3.9=79, 4103/1.8=16...(24) HA GLN 85 - HG3 LYS 49 lone 1 73 - 2 - HA GLN 85 - HG2 LYS 49 lone 1 73 - 2 - HB THR 9 - HG2 LYS 49 lone 1 100 - 1 - HB THR 9 - HG3 LYS 49 lone 1 100 - 1 - HA GLN 100 - HG2 LYS 49 lone 1 96 - 1 - HA GLN 100 - HG3 LYS 49 lone 1 96 - 1 - HA GLU 98 - HG2 LYS 49 lone 0 65 - 0 - HA GLU 98 - HG3 LYS 49 lone 0 65 - 0 - Peak 4130 from cnoeabs.peaks (1.90, 1.46, 24.65 ppm; 2.86 A): 2 out of 44 assignments used, quality = 1.00: * HB2 LYS 49 + HG2 LYS 49 OK 95 100 - 95 - 3.0=88, 4115/3.0=9...(28) HB2 LYS 49 + HG3 LYS 49 OK 95 100 - 95 - 3.0=88, 4115/3.0=9...(28) HB ILE 71 - HG3 LYS 49 lone 3 100 - 3 - HB ILE 71 - HG2 LYS 49 lone 3 100 - 3 - HB3 LYS 123 - HG3 LYS 49 lone 2 77 - 3 - HB3 LYS 123 - HG2 LYS 49 lone 2 77 - 3 - HB2 LYS 20 - HG3 LYS 49 lone 1 94 - 1 - HB3 LYS 20 - HG2 LYS 49 lone 1 94 - 1 - HB3 LYS 20 - HG3 LYS 49 lone 1 94 - 1 - HB2 LYS 20 - HG2 LYS 49 lone 1 94 - 1 - HB2 LYS 96 - HG2 LYS 49 lone 1 100 - 1 - HB2 LYS 96 - HG3 LYS 49 lone 1 100 - 1 - HB ILE 7 - HG3 LYS 49 lone 1 97 - 1 - HB ILE 7 - HG2 LYS 49 lone 1 97 - 1 - HB3 LYS 44 - HG2 LYS 49 lone 1 97 - 1 - HB3 LYS 44 - HG3 LYS 49 lone 1 97 - 1 - HB2 LYS 73 - HG3 LYS 49 lone 1 99 - 1 - HB2 LYS 73 - HG2 LYS 49 lone 1 99 - 1 - HB3 LYS 73 - HG3 LYS 49 lone 1 99 - 1 - HB3 LYS 73 - HG2 LYS 49 lone 1 99 - 1 - HB2 LYS 44 - HG2 LYS 49 lone 1 87 - 1 - HB2 LYS 44 - HG3 LYS 49 lone 1 87 - 1 - HB3 LYS 43 - HG2 LYS 49 lone 1 100 - 0 - HB3 LYS 43 - HG3 LYS 49 lone 1 100 - 0 - HB2 LYS 43 - HG2 LYS 49 lone 0 96 - 1 - HB2 LYS 43 - HG3 LYS 49 lone 0 96 - 1 - HB2 LEU 45 - HG3 LYS 49 lone 0 99 - 0 - HB2 LEU 45 - HG2 LYS 49 lone 0 99 - 0 - HG2 MET 121 - HG2 LYS 49 lone 0 65 - 1 - HG2 MET 121 - HG3 LYS 49 lone 0 65 - 1 - HB2 GLU 128 - HG3 LYS 49 lone 0 100 - 0 - HB2 GLU 128 - HG2 LYS 49 lone 0 100 - 0 - HB2 ARG 95 - HG2 LYS 49 lone 0 100 - 0 - HB2 ARG 95 - HG3 LYS 49 lone 0 100 - 0 - QE MET 67 - HG3 LYS 49 lone 0 61 - 0 - QE MET 67 - HG2 LYS 49 lone 0 61 - 0 - HB ILE 15 - HG3 LYS 49 lone 0 73 - 0 - HB ILE 15 - HG2 LYS 49 lone 0 73 - 0 - HG LEU 45 - HG3 LYS 49 lone 0 70 - 0 - HG LEU 45 - HG2 LYS 49 lone 0 70 - 0 - HB3 LYS 16 - HG3 LYS 49 lone 0 65 - 0 - HB3 LYS 16 - HG2 LYS 49 lone 0 65 - 0 - HB2 LYS 16 - HG2 LYS 49 lone 0 61 - 0 - HB2 LYS 16 - HG3 LYS 49 lone 0 61 - 0 - Peak 4131 from cnoeabs.peaks (1.75, 1.46, 24.65 ppm; 3.69 A): 2 out of 2 assignments used, quality = 1.00: HB3 LYS 49 + HG3 LYS 49 OK 100 100 - 100 - 3.0=100 * HB3 LYS 49 + HG2 LYS 49 OK 100 100 - 100 - 3.0=100 Peak 4132 from cnoeabs.peaks (1.46, 1.46, 24.65 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 LYS 49 + HG3 LYS 49 OK 100 100 - 100 * HG2 LYS 49 + HG2 LYS 49 OK 100 100 - 100 Peak 4133 from cnoeabs.peaks (1.46, 1.46, 24.65 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 LYS 49 + HG3 LYS 49 OK 100 100 - 100 HG2 LYS 49 + HG2 LYS 49 OK 100 100 - 100 Reference assignment not found: HG3 LYS 49 - HG2 LYS 49 Peak 4134 from cnoeabs.peaks (1.65, 1.46, 24.65 ppm; 2.55 A): 4 out of 24 assignments used, quality = 1.00: HD3 LYS 49 + HG2 LYS 49 OK 87 100 - 87 - 3.0=64, 4151/3.0=8...(31) * HD2 LYS 49 + HG2 LYS 49 OK 87 100 - 87 - 3.0=64, 4151/3.0=8...(31) HD2 LYS 49 + HG3 LYS 49 OK 87 100 - 87 - 3.0=64, 4151/3.0=8...(31) HD3 LYS 49 + HG3 LYS 49 OK 87 100 - 87 - 3.0=64, 4151/3.0=8...(31) HD2 LYS 115 - HG2 LYS 49 lone 3 100 - 3 - HD2 LYS 115 - HG3 LYS 49 lone 3 100 - 3 - HD3 LYS 115 - HG2 LYS 49 lone 2 98 - 3 - HD3 LYS 115 - HG3 LYS 49 lone 2 98 - 3 - HD3 LYS 65 - HG2 LYS 49 lone 2 100 - 2 - HD3 LYS 65 - HG3 LYS 49 lone 2 100 - 2 - HD2 LYS 65 - HG2 LYS 49 lone 2 100 - 2 - HD2 LYS 65 - HG3 LYS 49 lone 2 100 - 2 - HB ILE 5 - HG3 LYS 49 lone 1 97 - 1 - HB ILE 5 - HG2 LYS 49 lone 1 97 - 1 - HB2 ARG 30 - HG3 LYS 49 lone 0 100 - 0 - HB2 ARG 30 - HG2 LYS 49 lone 0 100 - 0 - HG LEU 90 - HG3 LYS 49 lone 0 81 - 1 - HG LEU 90 - HG2 LYS 49 lone 0 81 - 1 - HG LEU 114 - HG3 LYS 49 lone 0 100 - 0 - HG LEU 114 - HG2 LYS 49 lone 0 100 - 0 - HG LEU 64 - HG2 LYS 49 lone 0 90 - 0 - HG LEU 64 - HG3 LYS 49 lone 0 90 - 0 - HB2 GLU 52 - HG2 LYS 49 lone 0 100 - 0 - HB2 GLU 52 - HG3 LYS 49 lone 0 100 - 0 - Peak 4135 from cnoeabs.peaks (1.65, 1.46, 24.65 ppm; 2.55 A): 4 out of 24 assignments used, quality = 1.00: * HD3 LYS 49 + HG2 LYS 49 OK 87 100 - 87 - 3.0=64, 4151/3.0=8...(31) HD2 LYS 49 + HG2 LYS 49 OK 87 100 - 87 - 3.0=64, 4151/3.0=8...(31) HD2 LYS 49 + HG3 LYS 49 OK 87 100 - 87 - 3.0=64, 4151/3.0=8...(31) HD3 LYS 49 + HG3 LYS 49 OK 87 100 - 87 - 3.0=64, 4151/3.0=8...(31) HD2 LYS 115 - HG2 LYS 49 lone 3 100 - 3 - HD2 LYS 115 - HG3 LYS 49 lone 3 100 - 3 - HD3 LYS 115 - HG2 LYS 49 lone 2 98 - 3 - HD3 LYS 115 - HG3 LYS 49 lone 2 98 - 3 - HD3 LYS 65 - HG2 LYS 49 lone 2 100 - 2 - HD3 LYS 65 - HG3 LYS 49 lone 2 100 - 2 - HD2 LYS 65 - HG2 LYS 49 lone 2 100 - 2 - HD2 LYS 65 - HG3 LYS 49 lone 2 100 - 2 - HB ILE 5 - HG3 LYS 49 lone 1 97 - 1 - HB ILE 5 - HG2 LYS 49 lone 1 97 - 1 - HB2 ARG 30 - HG3 LYS 49 lone 0 100 - 0 - HB2 ARG 30 - HG2 LYS 49 lone 0 100 - 0 - HG LEU 90 - HG3 LYS 49 lone 0 81 - 1 - HG LEU 90 - HG2 LYS 49 lone 0 81 - 1 - HG LEU 114 - HG3 LYS 49 lone 0 100 - 0 - HG LEU 114 - HG2 LYS 49 lone 0 100 - 0 - HG LEU 64 - HG2 LYS 49 lone 0 90 - 0 - HG LEU 64 - HG3 LYS 49 lone 0 90 - 0 - HB2 GLU 52 - HG2 LYS 49 lone 0 100 - 0 - HB2 GLU 52 - HG3 LYS 49 lone 0 100 - 0 - Peak 4136 from cnoeabs.peaks (3.02, 1.46, 24.65 ppm; 3.68 A): 4 out of 16 assignments used, quality = 1.00: HE2 LYS 49 + HG3 LYS 49 OK 98 100 - 98 - 3.8=88, 3.0/4135=9...(38) HE3 LYS 49 + HG2 LYS 49 OK 98 100 - 98 - 3.8=88, 3.0/4135=9...(38) HE3 LYS 49 + HG3 LYS 49 OK 98 100 - 98 - 3.8=88, 3.0/4135=9...(38) * HE2 LYS 49 + HG2 LYS 49 OK 98 100 - 98 - 3.8=88, 3.0/4135=9...(38) HE2 LYS 123 - HG3 LYS 49 lone 5 100 - 5 - HE2 LYS 123 - HG2 LYS 49 lone 5 100 - 5 - HE3 LYS 123 - HG2 LYS 49 lone 5 98 - 5 - HE3 LYS 123 - HG3 LYS 49 lone 5 98 - 5 - HE2 LYS 94 - HG2 LYS 49 lone 1 99 - 1 - HE2 LYS 94 - HG3 LYS 49 lone 1 99 - 1 - HB2 ASN 59 - HG2 LYS 49 lone 0 96 - 0 - HB2 ASN 59 - HG3 LYS 49 lone 0 96 - 0 - HB2 ASN 11 - HG2 LYS 49 lone 0 87 - 0 - HB2 ASN 11 - HG3 LYS 49 lone 0 87 - 0 - HB2 PHE 51 - HG2 LYS 49 lone 0 87 - 0 - HB2 PHE 51 - HG3 LYS 49 lone 0 87 - 0 - Peak 4137 from cnoeabs.peaks (3.02, 1.46, 24.65 ppm; 3.68 A): 4 out of 16 assignments used, quality = 1.00: HE2 LYS 49 + HG3 LYS 49 OK 98 100 - 98 - 3.8=88, 3.0/4135=9...(38) * HE3 LYS 49 + HG2 LYS 49 OK 98 100 - 98 - 3.8=88, 3.0/4135=9...(38) HE3 LYS 49 + HG3 LYS 49 OK 98 100 - 98 - 3.8=88, 3.0/4135=9...(38) HE2 LYS 49 + HG2 LYS 49 OK 98 100 - 98 - 3.8=88, 3.0/4135=9...(38) HE2 LYS 123 - HG3 LYS 49 lone 5 100 - 5 - HE2 LYS 123 - HG2 LYS 49 lone 5 100 - 5 - HE3 LYS 123 - HG2 LYS 49 lone 5 98 - 5 - HE3 LYS 123 - HG3 LYS 49 lone 5 98 - 5 - HE2 LYS 94 - HG2 LYS 49 lone 1 99 - 1 - HE2 LYS 94 - HG3 LYS 49 lone 1 99 - 1 - HB2 ASN 59 - HG2 LYS 49 lone 0 96 - 0 - HB2 ASN 59 - HG3 LYS 49 lone 0 96 - 0 - HB2 ASN 11 - HG2 LYS 49 lone 0 87 - 0 - HB2 ASN 11 - HG3 LYS 49 lone 0 87 - 0 - HB2 PHE 51 - HG2 LYS 49 lone 0 87 - 0 - HB2 PHE 51 - HG3 LYS 49 lone 0 87 - 0 - Peak 4138 from cnoeabs.peaks (8.61, 1.46, 24.65 ppm; 4.63 A): 2 out of 14 assignments used, quality = 1.00: * H LYS 49 + HG3 LYS 49 OK 99 100 - 99 - 4.8=89, 4118/3.0=32...(18) H LYS 49 + HG2 LYS 49 OK 99 100 - 99 - 4.8=89, 4118/3.0=32...(18) H ALA 124 - HG3 LYS 49 lone 5 98 - 5 - 4118/3.0=2 H ALA 124 - HG2 LYS 49 lone 5 98 - 5 - 4118/3.0=2 H LYS 94 - HG2 LYS 49 lone 4 100 - 4 - 4118/3.0=1, 10096/3.0=1 H LYS 94 - HG3 LYS 49 lone 4 100 - 4 - 4118/3.0=1, 10096/3.0=1 H ILE 71 - HG2 LYS 49 lone 4 94 - 4 - 4.0/9789=1 H ILE 71 - HG3 LYS 49 lone 4 94 - 4 - 4.0/9789=1 H LEU 80 - HG2 LYS 49 lone 3 98 - 3 - H LEU 80 - HG3 LYS 49 lone 3 98 - 3 - H GLN 85 - HG3 LYS 49 lone 3 92 - 3 - 4118/3.0=2 H GLN 85 - HG2 LYS 49 lone 3 92 - 3 - 4118/3.0=2 H THR 108 - HG2 LYS 49 lone 1 100 - 1 - H THR 108 - HG3 LYS 49 lone 1 100 - 1 - Peak 4139 from cnoeabs.peaks (4.32, 1.46, 24.65 ppm; 3.58 A): 2 out of 10 assignments used, quality = 1.00: HA LYS 49 + HG2 LYS 49 OK 96 100 - 96 - 3.9=79, 4103/1.8=16...(24) * HA LYS 49 + HG3 LYS 49 OK 96 100 - 96 - 3.9=79, 4103/1.8=16...(24) HA GLN 85 - HG3 LYS 49 lone 1 73 - 2 - HA GLN 85 - HG2 LYS 49 lone 1 73 - 2 - HB THR 9 - HG2 LYS 49 lone 1 100 - 1 - HB THR 9 - HG3 LYS 49 lone 1 100 - 1 - HA GLN 100 - HG2 LYS 49 lone 1 96 - 1 - HA GLN 100 - HG3 LYS 49 lone 1 96 - 1 - HA GLU 98 - HG2 LYS 49 lone 0 65 - 0 - HA GLU 98 - HG3 LYS 49 lone 0 65 - 0 - Peak 4140 from cnoeabs.peaks (1.90, 1.46, 24.65 ppm; 2.86 A): 2 out of 44 assignments used, quality = 1.00: HB2 LYS 49 + HG2 LYS 49 OK 95 100 - 95 - 3.0=88, 4115/3.0=9...(28) * HB2 LYS 49 + HG3 LYS 49 OK 95 100 - 95 - 3.0=88, 4115/3.0=9...(28) HB ILE 71 - HG3 LYS 49 lone 3 100 - 3 - HB ILE 71 - HG2 LYS 49 lone 3 100 - 3 - HB3 LYS 123 - HG3 LYS 49 lone 2 77 - 3 - HB3 LYS 123 - HG2 LYS 49 lone 2 77 - 3 - HB2 LYS 20 - HG3 LYS 49 lone 1 94 - 1 - HB3 LYS 20 - HG2 LYS 49 lone 1 94 - 1 - HB3 LYS 20 - HG3 LYS 49 lone 1 94 - 1 - HB2 LYS 20 - HG2 LYS 49 lone 1 94 - 1 - HB2 LYS 96 - HG2 LYS 49 lone 1 100 - 1 - HB2 LYS 96 - HG3 LYS 49 lone 1 100 - 1 - HB ILE 7 - HG3 LYS 49 lone 1 97 - 1 - HB ILE 7 - HG2 LYS 49 lone 1 97 - 1 - HB3 LYS 44 - HG2 LYS 49 lone 1 97 - 1 - HB3 LYS 44 - HG3 LYS 49 lone 1 97 - 1 - HB2 LYS 73 - HG3 LYS 49 lone 1 99 - 1 - HB2 LYS 73 - HG2 LYS 49 lone 1 99 - 1 - HB3 LYS 73 - HG3 LYS 49 lone 1 99 - 1 - HB3 LYS 73 - HG2 LYS 49 lone 1 99 - 1 - HB2 LYS 44 - HG2 LYS 49 lone 1 87 - 1 - HB2 LYS 44 - HG3 LYS 49 lone 1 87 - 1 - HB3 LYS 43 - HG2 LYS 49 lone 1 100 - 0 - HB3 LYS 43 - HG3 LYS 49 lone 1 100 - 0 - HB2 LYS 43 - HG2 LYS 49 lone 0 96 - 1 - HB2 LYS 43 - HG3 LYS 49 lone 0 96 - 1 - HB2 LEU 45 - HG3 LYS 49 lone 0 99 - 0 - HB2 LEU 45 - HG2 LYS 49 lone 0 99 - 0 - HG2 MET 121 - HG2 LYS 49 lone 0 65 - 1 - HG2 MET 121 - HG3 LYS 49 lone 0 65 - 1 - HB2 GLU 128 - HG3 LYS 49 lone 0 100 - 0 - HB2 GLU 128 - HG2 LYS 49 lone 0 100 - 0 - HB2 ARG 95 - HG2 LYS 49 lone 0 100 - 0 - HB2 ARG 95 - HG3 LYS 49 lone 0 100 - 0 - QE MET 67 - HG3 LYS 49 lone 0 61 - 0 - QE MET 67 - HG2 LYS 49 lone 0 61 - 0 - HB ILE 15 - HG3 LYS 49 lone 0 73 - 0 - HB ILE 15 - HG2 LYS 49 lone 0 73 - 0 - HG LEU 45 - HG3 LYS 49 lone 0 70 - 0 - HG LEU 45 - HG2 LYS 49 lone 0 70 - 0 - HB3 LYS 16 - HG3 LYS 49 lone 0 65 - 0 - HB3 LYS 16 - HG2 LYS 49 lone 0 65 - 0 - HB2 LYS 16 - HG2 LYS 49 lone 0 61 - 0 - HB2 LYS 16 - HG3 LYS 49 lone 0 61 - 0 - Peak 4141 from cnoeabs.peaks (1.75, 1.46, 24.65 ppm; 3.69 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 49 + HG3 LYS 49 OK 100 100 - 100 - 3.0=100 HB3 LYS 49 + HG2 LYS 49 OK 100 100 - 100 - 3.0=100 Peak 4142 from cnoeabs.peaks (1.46, 1.46, 24.65 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 LYS 49 + HG3 LYS 49 OK 100 100 - 100 HG2 LYS 49 + HG2 LYS 49 OK 100 100 - 100 Reference assignment not found: HG2 LYS 49 - HG3 LYS 49 Peak 4143 from cnoeabs.peaks (1.46, 1.46, 24.65 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 49 + HG3 LYS 49 OK 100 100 - 100 HG2 LYS 49 + HG2 LYS 49 OK 100 100 - 100 Peak 4144 from cnoeabs.peaks (1.65, 1.46, 24.65 ppm; 2.55 A): 4 out of 24 assignments used, quality = 1.00: HD3 LYS 49 + HG2 LYS 49 OK 87 100 - 87 - 3.0=64, 4151/3.0=8...(31) HD2 LYS 49 + HG2 LYS 49 OK 87 100 - 87 - 3.0=64, 4151/3.0=8...(31) * HD2 LYS 49 + HG3 LYS 49 OK 87 100 - 87 - 3.0=64, 4151/3.0=8...(31) HD3 LYS 49 + HG3 LYS 49 OK 87 100 - 87 - 3.0=64, 4151/3.0=8...(31) HD2 LYS 115 - HG2 LYS 49 lone 3 100 - 3 - HD2 LYS 115 - HG3 LYS 49 lone 3 100 - 3 - HD3 LYS 115 - HG2 LYS 49 lone 2 98 - 3 - HD3 LYS 115 - HG3 LYS 49 lone 2 98 - 3 - HD3 LYS 65 - HG2 LYS 49 lone 2 100 - 2 - HD3 LYS 65 - HG3 LYS 49 lone 2 100 - 2 - HD2 LYS 65 - HG2 LYS 49 lone 2 100 - 2 - HD2 LYS 65 - HG3 LYS 49 lone 2 100 - 2 - HB ILE 5 - HG3 LYS 49 lone 1 97 - 1 - HB ILE 5 - HG2 LYS 49 lone 1 97 - 1 - HB2 ARG 30 - HG3 LYS 49 lone 0 100 - 0 - HB2 ARG 30 - HG2 LYS 49 lone 0 100 - 0 - HG LEU 90 - HG3 LYS 49 lone 0 81 - 1 - HG LEU 90 - HG2 LYS 49 lone 0 81 - 1 - HG LEU 114 - HG3 LYS 49 lone 0 100 - 0 - HG LEU 114 - HG2 LYS 49 lone 0 100 - 0 - HG LEU 64 - HG2 LYS 49 lone 0 90 - 0 - HG LEU 64 - HG3 LYS 49 lone 0 90 - 0 - HB2 GLU 52 - HG2 LYS 49 lone 0 100 - 0 - HB2 GLU 52 - HG3 LYS 49 lone 0 100 - 0 - Peak 4145 from cnoeabs.peaks (1.65, 1.46, 24.65 ppm; 2.55 A): 4 out of 24 assignments used, quality = 1.00: HD3 LYS 49 + HG2 LYS 49 OK 87 100 - 87 - 3.0=64, 4151/3.0=8...(31) HD2 LYS 49 + HG2 LYS 49 OK 87 100 - 87 - 3.0=64, 4151/3.0=8...(31) HD2 LYS 49 + HG3 LYS 49 OK 87 100 - 87 - 3.0=64, 4151/3.0=8...(31) * HD3 LYS 49 + HG3 LYS 49 OK 87 100 - 87 - 3.0=64, 4151/3.0=8...(31) HD2 LYS 115 - HG2 LYS 49 lone 3 100 - 3 - HD2 LYS 115 - HG3 LYS 49 lone 3 100 - 3 - HD3 LYS 115 - HG2 LYS 49 lone 2 98 - 3 - HD3 LYS 115 - HG3 LYS 49 lone 2 98 - 3 - HD3 LYS 65 - HG2 LYS 49 lone 2 100 - 2 - HD3 LYS 65 - HG3 LYS 49 lone 2 100 - 2 - HD2 LYS 65 - HG2 LYS 49 lone 2 100 - 2 - HD2 LYS 65 - HG3 LYS 49 lone 2 100 - 2 - HB ILE 5 - HG3 LYS 49 lone 1 97 - 1 - HB ILE 5 - HG2 LYS 49 lone 1 97 - 1 - HB2 ARG 30 - HG3 LYS 49 lone 0 100 - 0 - HB2 ARG 30 - HG2 LYS 49 lone 0 100 - 0 - HG LEU 90 - HG3 LYS 49 lone 0 81 - 1 - HG LEU 90 - HG2 LYS 49 lone 0 81 - 1 - HG LEU 114 - HG3 LYS 49 lone 0 100 - 0 - HG LEU 114 - HG2 LYS 49 lone 0 100 - 0 - HG LEU 64 - HG2 LYS 49 lone 0 90 - 0 - HG LEU 64 - HG3 LYS 49 lone 0 90 - 0 - HB2 GLU 52 - HG2 LYS 49 lone 0 100 - 0 - HB2 GLU 52 - HG3 LYS 49 lone 0 100 - 0 - Peak 4146 from cnoeabs.peaks (3.02, 1.46, 24.65 ppm; 3.68 A): 4 out of 16 assignments used, quality = 1.00: * HE2 LYS 49 + HG3 LYS 49 OK 98 100 - 98 - 3.8=88, 3.0/4135=9...(38) HE3 LYS 49 + HG2 LYS 49 OK 98 100 - 98 - 3.8=88, 3.0/4135=9...(38) HE3 LYS 49 + HG3 LYS 49 OK 98 100 - 98 - 3.8=88, 3.0/4135=9...(38) HE2 LYS 49 + HG2 LYS 49 OK 98 100 - 98 - 3.8=88, 3.0/4135=9...(38) HE2 LYS 123 - HG3 LYS 49 lone 5 100 - 5 - HE2 LYS 123 - HG2 LYS 49 lone 5 100 - 5 - HE3 LYS 123 - HG2 LYS 49 lone 5 98 - 5 - HE3 LYS 123 - HG3 LYS 49 lone 5 98 - 5 - HE2 LYS 94 - HG2 LYS 49 lone 1 99 - 1 - HE2 LYS 94 - HG3 LYS 49 lone 1 99 - 1 - HB2 ASN 59 - HG2 LYS 49 lone 0 96 - 0 - HB2 ASN 59 - HG3 LYS 49 lone 0 96 - 0 - HB2 ASN 11 - HG2 LYS 49 lone 0 87 - 0 - HB2 ASN 11 - HG3 LYS 49 lone 0 87 - 0 - HB2 PHE 51 - HG2 LYS 49 lone 0 87 - 0 - HB2 PHE 51 - HG3 LYS 49 lone 0 87 - 0 - Peak 4147 from cnoeabs.peaks (3.02, 1.46, 24.65 ppm; 3.68 A): 4 out of 16 assignments used, quality = 1.00: HE2 LYS 49 + HG3 LYS 49 OK 98 100 - 98 - 3.8=88, 3.0/4135=9...(38) HE3 LYS 49 + HG2 LYS 49 OK 98 100 - 98 - 3.8=88, 3.0/4135=9...(38) * HE3 LYS 49 + HG3 LYS 49 OK 98 100 - 98 - 3.8=88, 3.0/4135=9...(38) HE2 LYS 49 + HG2 LYS 49 OK 98 100 - 98 - 3.8=88, 3.0/4135=9...(38) HE2 LYS 123 - HG3 LYS 49 lone 5 100 - 5 - HE2 LYS 123 - HG2 LYS 49 lone 5 100 - 5 - HE3 LYS 123 - HG2 LYS 49 lone 5 98 - 5 - HE3 LYS 123 - HG3 LYS 49 lone 5 98 - 5 - HE2 LYS 94 - HG2 LYS 49 lone 1 99 - 1 - HE2 LYS 94 - HG3 LYS 49 lone 1 99 - 1 - HB2 ASN 59 - HG2 LYS 49 lone 0 96 - 0 - HB2 ASN 59 - HG3 LYS 49 lone 0 96 - 0 - HB2 ASN 11 - HG2 LYS 49 lone 0 87 - 0 - HB2 ASN 11 - HG3 LYS 49 lone 0 87 - 0 - HB2 PHE 51 - HG2 LYS 49 lone 0 87 - 0 - HB2 PHE 51 - HG3 LYS 49 lone 0 87 - 0 - Peak 4149 from cnoeabs.peaks (4.32, 1.65, 28.78 ppm; 3.87 A): 2 out of 10 assignments used, quality = 0.99: * HA LYS 49 + HD2 LYS 49 OK 93 100 - 93 - 5.1=43, 3.0/4161=17...(27) HA LYS 49 + HD3 LYS 49 OK 93 100 - 93 - 5.1=43, 3.0/4161=17...(27) HB THR 9 - HD2 LYS 49 lone 1 100 - 1 - HB THR 9 - HD3 LYS 49 lone 1 100 - 1 - HA GLN 85 - HD3 LYS 49 lone 1 73 - 1 - HA GLN 85 - HD2 LYS 49 lone 1 73 - 1 - HA GLN 100 - HD2 LYS 49 lone 1 96 - 1 - HA GLN 100 - HD3 LYS 49 lone 1 96 - 1 - HA GLU 98 - HD2 LYS 49 lone 0 65 - 1 - HA GLU 98 - HD3 LYS 49 lone 0 65 - 1 - Peak 4150 from cnoeabs.peaks (1.90, 1.65, 28.78 ppm; 3.08 A): 2 out of 44 assignments used, quality = 0.99: HB2 LYS 49 + HD3 LYS 49 OK 91 100 - 91 - 3.9=49, 1.8/4151=17...(36) * HB2 LYS 49 + HD2 LYS 49 OK 91 100 - 91 - 3.9=49, 1.8/4151=17...(36) HB3 LYS 123 - HD2 LYS 49 lone 5 77 - 6 - HB3 LYS 123 - HD3 LYS 49 lone 5 77 - 6 - HB ILE 71 - HD2 LYS 49 lone 2 100 - 2 - HB ILE 71 - HD3 LYS 49 lone 2 100 - 2 - HB2 LYS 96 - HD3 LYS 49 lone 1 100 - 1 - HB2 LYS 96 - HD2 LYS 49 lone 1 100 - 1 - HB3 LYS 20 - HD2 LYS 49 lone 1 94 - 1 - HB3 LYS 20 - HD3 LYS 49 lone 1 94 - 1 - HB2 LYS 20 - HD2 LYS 49 lone 1 94 - 1 - HB2 LYS 20 - HD3 LYS 49 lone 1 94 - 1 - HB3 LYS 44 - HD2 LYS 49 lone 1 97 - 1 - HB3 LYS 44 - HD3 LYS 49 lone 1 97 - 1 - HB2 LYS 44 - HD2 LYS 49 lone 1 87 - 1 - HB2 LYS 44 - HD3 LYS 49 lone 1 87 - 1 - HB ILE 7 - HD3 LYS 49 lone 1 97 - 1 - HB ILE 7 - HD2 LYS 49 lone 1 97 - 1 - HB3 LYS 73 - HD2 LYS 49 lone 1 99 - 1 - HB3 LYS 73 - HD3 LYS 49 lone 1 99 - 1 - HB2 LYS 73 - HD2 LYS 49 lone 1 99 - 1 - HB2 LYS 73 - HD3 LYS 49 lone 1 99 - 1 - HB3 LYS 43 - HD3 LYS 49 lone 1 100 - 1 - HB3 LYS 43 - HD2 LYS 49 lone 1 100 - 1 - HB2 LYS 43 - HD2 LYS 49 lone 1 96 - 1 - HB2 LYS 43 - HD3 LYS 49 lone 1 96 - 1 - HB2 LEU 45 - HD2 LYS 49 lone 0 99 - 0 - HB2 LEU 45 - HD3 LYS 49 lone 0 99 - 0 - QE MET 67 - HD2 LYS 49 lone 0 61 - 1 - QE MET 67 - HD3 LYS 49 lone 0 61 - 1 - HB2 GLU 128 - HD3 LYS 49 lone 0 100 - 0 - HB2 GLU 128 - HD2 LYS 49 lone 0 100 - 0 - HB2 ARG 95 - HD2 LYS 49 lone 0 100 - 0 - HB2 ARG 95 - HD3 LYS 49 lone 0 100 - 0 - HG2 MET 121 - HD2 LYS 49 lone 0 65 - 0 - HG2 MET 121 - HD3 LYS 49 lone 0 65 - 0 - HG LEU 45 - HD2 LYS 49 lone 0 70 - 0 - HG LEU 45 - HD3 LYS 49 lone 0 70 - 0 - HB ILE 15 - HD3 LYS 49 lone 0 73 - 0 - HB ILE 15 - HD2 LYS 49 lone 0 73 - 0 - HB3 LYS 16 - HD3 LYS 49 lone 0 65 - 0 - HB3 LYS 16 - HD2 LYS 49 lone 0 65 - 0 - HB2 LYS 16 - HD3 LYS 49 lone 0 61 - 0 - HB2 LYS 16 - HD2 LYS 49 lone 0 61 - 0 - Peak 4151 from cnoeabs.peaks (1.75, 1.65, 28.78 ppm; 2.94 A): 2 out of 22 assignments used, quality = 0.99: * HB3 LYS 49 + HD2 LYS 49 OK 89 100 - 89 - 3.9=43, 1.8/4115=14...(41) HB3 LYS 49 + HD3 LYS 49 OK 89 100 - 89 - 3.9=43, 1.8/4115=14...(41) HD3 LYS 123 - HD3 LYS 49 lone 3 97 - 3 - HD3 LYS 123 - HD2 LYS 49 lone 3 97 - 3 - HG2 LYS 17 - HD2 LYS 49 lone 1 100 - 1 - HG2 LYS 17 - HD3 LYS 49 lone 1 100 - 1 - HB2 LEU 55 - HD3 LYS 49 lone 1 98 - 1 - HB2 LEU 55 - HD2 LYS 49 lone 1 98 - 1 - HG12 ILE 18 - HD2 LYS 49 lone 0 92 - 0 - HG12 ILE 18 - HD3 LYS 49 lone 0 92 - 0 - HB2 LEU 80 - HD3 LYS 49 lone 0 100 - 0 - HB2 LEU 80 - HD2 LYS 49 lone 0 100 - 0 - HB3 LYS 94 - HD2 LYS 49 lone 0 57 - 1 - HB3 LYS 94 - HD3 LYS 49 lone 0 57 - 1 - HG3 ARG 105 - HD3 LYS 49 lone 0 100 - 0 - HG3 ARG 105 - HD2 LYS 49 lone 0 100 - 0 - HB2 LEU 68 - HD3 LYS 49 lone 0 96 - 0 - HB2 LEU 68 - HD2 LYS 49 lone 0 96 - 0 - HB2 LEU 114 - HD3 LYS 49 lone 0 57 - 0 - HB2 LEU 114 - HD2 LYS 49 lone 0 57 - 0 - HB3 LEU 82 - HD3 LYS 49 lone 0 61 - 0 - HB3 LEU 82 - HD2 LYS 49 lone 0 61 - 0 - Peak 4152 from cnoeabs.peaks (1.46, 1.65, 28.78 ppm; 2.65 A): 4 out of 28 assignments used, quality = 1.00: * HG2 LYS 49 + HD2 LYS 49 OK 91 100 - 91 - 3.0=72, 3.0/4151=9...(31) HG2 LYS 49 + HD3 LYS 49 OK 91 100 - 91 - 3.0=72, 3.0/4151=9...(31) HG3 LYS 49 + HD3 LYS 49 OK 91 100 - 91 - 3.0=72, 3.0/4151=9...(31) HG3 LYS 49 + HD2 LYS 49 OK 91 100 - 91 - 3.0=72, 3.0/4151=9...(31) HB3 LEU 6 - HD2 LYS 49 lone 5 100 - 5 - 3.0/11537=2, 3.1/11611=1 HB3 LEU 6 - HD3 LYS 49 lone 5 100 - 5 - 3.0/11537=2, 3.1/11611=1 HG2 LYS 39 - HD2 LYS 49 lone 1 100 - 1 - HG2 LYS 39 - HD3 LYS 49 lone 1 100 - 1 - HG12 ILE 7 - HD3 LYS 49 lone 1 100 - 1 - HG12 ILE 7 - HD2 LYS 49 lone 1 100 - 1 - HB3 LEU 38 - HD3 LYS 49 lone 1 100 - 1 - HB3 LEU 38 - HD2 LYS 49 lone 1 100 - 1 - HG2 LYS 96 - HD2 LYS 49 lone 0 65 - 1 - HG2 LYS 96 - HD3 LYS 49 lone 0 65 - 1 - HG3 ARG 30 - HD2 LYS 49 lone 0 98 - 0 - HG3 ARG 30 - HD3 LYS 49 lone 0 98 - 0 - HG3 LYS 20 - HD3 LYS 49 lone 0 65 - 1 - HG3 LYS 20 - HD2 LYS 49 lone 0 65 - 1 - HB2 LEU 74 - HD2 LYS 49 lone 0 96 - 0 - HB2 LEU 74 - HD3 LYS 49 lone 0 96 - 0 - HG12 ILE 57 - HD2 LYS 49 lone 0 100 - 0 - HG12 ILE 57 - HD3 LYS 49 lone 0 100 - 0 - HG2 LYS 106 - HD3 LYS 49 lone 0 100 - 0 - HG2 LYS 106 - HD2 LYS 49 lone 0 100 - 0 - HG LEU 4 - HD2 LYS 49 lone 0 97 - 0 - HG LEU 4 - HD3 LYS 49 lone 0 97 - 0 - HG LEU 80 - HD3 LYS 49 lone 0 70 - 0 - HG LEU 80 - HD2 LYS 49 lone 0 70 - 0 - Peak 4153 from cnoeabs.peaks (1.46, 1.65, 28.78 ppm; 2.65 A): 4 out of 28 assignments used, quality = 1.00: HG2 LYS 49 + HD2 LYS 49 OK 91 100 - 91 - 3.0=72, 3.0/4151=9...(31) HG2 LYS 49 + HD3 LYS 49 OK 91 100 - 91 - 3.0=72, 3.0/4151=9...(31) HG3 LYS 49 + HD3 LYS 49 OK 91 100 - 91 - 3.0=72, 3.0/4151=9...(31) * HG3 LYS 49 + HD2 LYS 49 OK 91 100 - 91 - 3.0=72, 3.0/4151=9...(31) HB3 LEU 6 - HD2 LYS 49 lone 5 100 - 5 - 3.0/11537=2, 3.1/11611=1 HB3 LEU 6 - HD3 LYS 49 lone 5 100 - 5 - 3.0/11537=2, 3.1/11611=1 HG2 LYS 39 - HD2 LYS 49 lone 1 100 - 1 - HG2 LYS 39 - HD3 LYS 49 lone 1 100 - 1 - HG12 ILE 7 - HD3 LYS 49 lone 1 100 - 1 - HG12 ILE 7 - HD2 LYS 49 lone 1 100 - 1 - HB3 LEU 38 - HD3 LYS 49 lone 1 100 - 1 - HB3 LEU 38 - HD2 LYS 49 lone 1 100 - 1 - HG2 LYS 96 - HD2 LYS 49 lone 0 65 - 1 - HG2 LYS 96 - HD3 LYS 49 lone 0 65 - 1 - HG3 ARG 30 - HD2 LYS 49 lone 0 98 - 0 - HG3 ARG 30 - HD3 LYS 49 lone 0 98 - 0 - HG3 LYS 20 - HD3 LYS 49 lone 0 65 - 1 - HG3 LYS 20 - HD2 LYS 49 lone 0 65 - 1 - HB2 LEU 74 - HD2 LYS 49 lone 0 96 - 0 - HB2 LEU 74 - HD3 LYS 49 lone 0 96 - 0 - HG12 ILE 57 - HD2 LYS 49 lone 0 100 - 0 - HG12 ILE 57 - HD3 LYS 49 lone 0 100 - 0 - HG2 LYS 106 - HD3 LYS 49 lone 0 100 - 0 - HG2 LYS 106 - HD2 LYS 49 lone 0 100 - 0 - HG LEU 4 - HD2 LYS 49 lone 0 97 - 0 - HG LEU 4 - HD3 LYS 49 lone 0 97 - 0 - HG LEU 80 - HD3 LYS 49 lone 0 70 - 0 - HG LEU 80 - HD2 LYS 49 lone 0 70 - 0 - Peak 4154 from cnoeabs.peaks (1.65, 1.65, 28.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 49 + HD3 LYS 49 OK 100 100 - 100 * HD2 LYS 49 + HD2 LYS 49 OK 100 100 - 100 Peak 4155 from cnoeabs.peaks (1.65, 1.65, 28.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 49 + HD3 LYS 49 OK 100 100 - 100 HD2 LYS 49 + HD2 LYS 49 OK 100 100 - 100 Reference assignment not found: HD3 LYS 49 - HD2 LYS 49 Peak 4156 from cnoeabs.peaks (3.02, 1.65, 28.78 ppm; 3.30 A): 4 out of 4 assignments used, quality = 1.00: HE3 LYS 49 + HD2 LYS 49 OK 100 100 - 100 - 3.0=100 HE3 LYS 49 + HD3 LYS 49 OK 100 100 - 100 - 3.0=100 * HE2 LYS 49 + HD2 LYS 49 OK 100 100 - 100 - 3.0=100 HE2 LYS 49 + HD3 LYS 49 OK 100 100 - 100 - 3.0=100 Peak 4157 from cnoeabs.peaks (3.02, 1.65, 28.78 ppm; 3.30 A): 4 out of 4 assignments used, quality = 1.00: * HE3 LYS 49 + HD2 LYS 49 OK 100 100 - 100 - 3.0=100 HE3 LYS 49 + HD3 LYS 49 OK 100 100 - 100 - 3.0=100 HE2 LYS 49 + HD2 LYS 49 OK 100 100 - 100 - 3.0=100 HE2 LYS 49 + HD3 LYS 49 OK 100 100 - 100 - 3.0=100 Peak 4159 from cnoeabs.peaks (4.32, 1.65, 28.78 ppm; 3.87 A): 2 out of 10 assignments used, quality = 0.99: HA LYS 49 + HD2 LYS 49 OK 93 100 - 93 - 5.1=43, 3.0/4161=17...(27) * HA LYS 49 + HD3 LYS 49 OK 93 100 - 93 - 5.1=43, 3.0/4161=17...(27) HB THR 9 - HD2 LYS 49 lone 1 100 - 1 - HB THR 9 - HD3 LYS 49 lone 1 100 - 1 - HA GLN 85 - HD3 LYS 49 lone 1 73 - 1 - HA GLN 85 - HD2 LYS 49 lone 1 73 - 1 - HA GLN 100 - HD2 LYS 49 lone 1 96 - 1 - HA GLN 100 - HD3 LYS 49 lone 1 96 - 1 - HA GLU 98 - HD2 LYS 49 lone 0 65 - 1 - HA GLU 98 - HD3 LYS 49 lone 0 65 - 1 - Peak 4160 from cnoeabs.peaks (1.90, 1.65, 28.78 ppm; 3.08 A): 2 out of 44 assignments used, quality = 0.99: * HB2 LYS 49 + HD3 LYS 49 OK 91 100 - 91 - 3.9=49, 1.8/4151=17...(36) HB2 LYS 49 + HD2 LYS 49 OK 91 100 - 91 - 3.9=49, 1.8/4151=17...(36) HB3 LYS 123 - HD2 LYS 49 lone 5 77 - 6 - HB3 LYS 123 - HD3 LYS 49 lone 5 77 - 6 - HB ILE 71 - HD2 LYS 49 lone 2 100 - 2 - HB ILE 71 - HD3 LYS 49 lone 2 100 - 2 - HB2 LYS 96 - HD3 LYS 49 lone 1 100 - 1 - HB2 LYS 96 - HD2 LYS 49 lone 1 100 - 1 - HB3 LYS 20 - HD2 LYS 49 lone 1 94 - 1 - HB3 LYS 20 - HD3 LYS 49 lone 1 94 - 1 - HB2 LYS 20 - HD2 LYS 49 lone 1 94 - 1 - HB2 LYS 20 - HD3 LYS 49 lone 1 94 - 1 - HB3 LYS 44 - HD2 LYS 49 lone 1 97 - 1 - HB3 LYS 44 - HD3 LYS 49 lone 1 97 - 1 - HB2 LYS 44 - HD2 LYS 49 lone 1 87 - 1 - HB2 LYS 44 - HD3 LYS 49 lone 1 87 - 1 - HB ILE 7 - HD3 LYS 49 lone 1 97 - 1 - HB ILE 7 - HD2 LYS 49 lone 1 97 - 1 - HB3 LYS 73 - HD2 LYS 49 lone 1 99 - 1 - HB3 LYS 73 - HD3 LYS 49 lone 1 99 - 1 - HB2 LYS 73 - HD2 LYS 49 lone 1 99 - 1 - HB2 LYS 73 - HD3 LYS 49 lone 1 99 - 1 - HB3 LYS 43 - HD3 LYS 49 lone 1 100 - 1 - HB3 LYS 43 - HD2 LYS 49 lone 1 100 - 1 - HB2 LYS 43 - HD2 LYS 49 lone 1 96 - 1 - HB2 LYS 43 - HD3 LYS 49 lone 1 96 - 1 - HB2 LEU 45 - HD2 LYS 49 lone 0 99 - 0 - HB2 LEU 45 - HD3 LYS 49 lone 0 99 - 0 - QE MET 67 - HD2 LYS 49 lone 0 61 - 1 - QE MET 67 - HD3 LYS 49 lone 0 61 - 1 - HB2 GLU 128 - HD3 LYS 49 lone 0 100 - 0 - HB2 GLU 128 - HD2 LYS 49 lone 0 100 - 0 - HB2 ARG 95 - HD2 LYS 49 lone 0 100 - 0 - HB2 ARG 95 - HD3 LYS 49 lone 0 100 - 0 - HG2 MET 121 - HD2 LYS 49 lone 0 65 - 0 - HG2 MET 121 - HD3 LYS 49 lone 0 65 - 0 - HG LEU 45 - HD2 LYS 49 lone 0 70 - 0 - HG LEU 45 - HD3 LYS 49 lone 0 70 - 0 - HB ILE 15 - HD3 LYS 49 lone 0 73 - 0 - HB ILE 15 - HD2 LYS 49 lone 0 73 - 0 - HB3 LYS 16 - HD3 LYS 49 lone 0 65 - 0 - HB3 LYS 16 - HD2 LYS 49 lone 0 65 - 0 - HB2 LYS 16 - HD3 LYS 49 lone 0 61 - 0 - HB2 LYS 16 - HD2 LYS 49 lone 0 61 - 0 - Peak 4161 from cnoeabs.peaks (1.75, 1.65, 28.78 ppm; 2.94 A): 2 out of 22 assignments used, quality = 0.99: HB3 LYS 49 + HD2 LYS 49 OK 89 100 - 89 - 3.9=43, 1.8/4115=14...(41) * HB3 LYS 49 + HD3 LYS 49 OK 89 100 - 89 - 3.9=43, 1.8/4115=14...(41) HD3 LYS 123 - HD3 LYS 49 lone 3 97 - 3 - HD3 LYS 123 - HD2 LYS 49 lone 3 97 - 3 - HG2 LYS 17 - HD2 LYS 49 lone 1 100 - 1 - HG2 LYS 17 - HD3 LYS 49 lone 1 100 - 1 - HB2 LEU 55 - HD3 LYS 49 lone 1 98 - 1 - HB2 LEU 55 - HD2 LYS 49 lone 1 98 - 1 - HG12 ILE 18 - HD2 LYS 49 lone 0 92 - 0 - HG12 ILE 18 - HD3 LYS 49 lone 0 92 - 0 - HB2 LEU 80 - HD3 LYS 49 lone 0 100 - 0 - HB2 LEU 80 - HD2 LYS 49 lone 0 100 - 0 - HB3 LYS 94 - HD2 LYS 49 lone 0 57 - 1 - HB3 LYS 94 - HD3 LYS 49 lone 0 57 - 1 - HG3 ARG 105 - HD3 LYS 49 lone 0 100 - 0 - HG3 ARG 105 - HD2 LYS 49 lone 0 100 - 0 - HB2 LEU 68 - HD3 LYS 49 lone 0 96 - 0 - HB2 LEU 68 - HD2 LYS 49 lone 0 96 - 0 - HB2 LEU 114 - HD3 LYS 49 lone 0 57 - 0 - HB2 LEU 114 - HD2 LYS 49 lone 0 57 - 0 - HB3 LEU 82 - HD3 LYS 49 lone 0 61 - 0 - HB3 LEU 82 - HD2 LYS 49 lone 0 61 - 0 - Peak 4162 from cnoeabs.peaks (1.46, 1.65, 28.78 ppm; 2.65 A): 4 out of 28 assignments used, quality = 1.00: HG2 LYS 49 + HD2 LYS 49 OK 91 100 - 91 - 3.0=72, 3.0/4151=9...(31) * HG2 LYS 49 + HD3 LYS 49 OK 91 100 - 91 - 3.0=72, 3.0/4151=9...(31) HG3 LYS 49 + HD3 LYS 49 OK 91 100 - 91 - 3.0=72, 3.0/4151=9...(31) HG3 LYS 49 + HD2 LYS 49 OK 91 100 - 91 - 3.0=72, 3.0/4151=9...(31) HB3 LEU 6 - HD2 LYS 49 lone 5 100 - 5 - 3.0/11537=2, 3.1/11611=1 HB3 LEU 6 - HD3 LYS 49 lone 5 100 - 5 - 3.0/11537=2, 3.1/11611=1 HG2 LYS 39 - HD2 LYS 49 lone 1 100 - 1 - HG2 LYS 39 - HD3 LYS 49 lone 1 100 - 1 - HG12 ILE 7 - HD3 LYS 49 lone 1 100 - 1 - HG12 ILE 7 - HD2 LYS 49 lone 1 100 - 1 - HB3 LEU 38 - HD3 LYS 49 lone 1 100 - 1 - HB3 LEU 38 - HD2 LYS 49 lone 1 100 - 1 - HG2 LYS 96 - HD2 LYS 49 lone 0 65 - 1 - HG2 LYS 96 - HD3 LYS 49 lone 0 65 - 1 - HG3 ARG 30 - HD2 LYS 49 lone 0 98 - 0 - HG3 ARG 30 - HD3 LYS 49 lone 0 98 - 0 - HG3 LYS 20 - HD3 LYS 49 lone 0 65 - 1 - HG3 LYS 20 - HD2 LYS 49 lone 0 65 - 1 - HB2 LEU 74 - HD2 LYS 49 lone 0 96 - 0 - HB2 LEU 74 - HD3 LYS 49 lone 0 96 - 0 - HG12 ILE 57 - HD2 LYS 49 lone 0 100 - 0 - HG12 ILE 57 - HD3 LYS 49 lone 0 100 - 0 - HG2 LYS 106 - HD3 LYS 49 lone 0 100 - 0 - HG2 LYS 106 - HD2 LYS 49 lone 0 100 - 0 - HG LEU 4 - HD2 LYS 49 lone 0 97 - 0 - HG LEU 4 - HD3 LYS 49 lone 0 97 - 0 - HG LEU 80 - HD3 LYS 49 lone 0 70 - 0 - HG LEU 80 - HD2 LYS 49 lone 0 70 - 0 - Peak 4163 from cnoeabs.peaks (1.46, 1.65, 28.78 ppm; 2.65 A): 4 out of 28 assignments used, quality = 1.00: HG2 LYS 49 + HD2 LYS 49 OK 91 100 - 91 - 3.0=72, 3.0/4151=9...(31) HG2 LYS 49 + HD3 LYS 49 OK 91 100 - 91 - 3.0=72, 3.0/4151=9...(31) * HG3 LYS 49 + HD3 LYS 49 OK 91 100 - 91 - 3.0=72, 3.0/4151=9...(31) HG3 LYS 49 + HD2 LYS 49 OK 91 100 - 91 - 3.0=72, 3.0/4151=9...(31) HB3 LEU 6 - HD2 LYS 49 lone 5 100 - 5 - 3.0/11537=2, 3.1/11611=1 HB3 LEU 6 - HD3 LYS 49 lone 5 100 - 5 - 3.0/11537=2, 3.1/11611=1 HG2 LYS 39 - HD2 LYS 49 lone 1 100 - 1 - HG2 LYS 39 - HD3 LYS 49 lone 1 100 - 1 - HG12 ILE 7 - HD3 LYS 49 lone 1 100 - 1 - HG12 ILE 7 - HD2 LYS 49 lone 1 100 - 1 - HB3 LEU 38 - HD3 LYS 49 lone 1 100 - 1 - HB3 LEU 38 - HD2 LYS 49 lone 1 100 - 1 - HG2 LYS 96 - HD2 LYS 49 lone 0 65 - 1 - HG2 LYS 96 - HD3 LYS 49 lone 0 65 - 1 - HG3 ARG 30 - HD2 LYS 49 lone 0 98 - 0 - HG3 ARG 30 - HD3 LYS 49 lone 0 98 - 0 - HG3 LYS 20 - HD3 LYS 49 lone 0 65 - 1 - HG3 LYS 20 - HD2 LYS 49 lone 0 65 - 1 - HB2 LEU 74 - HD2 LYS 49 lone 0 96 - 0 - HB2 LEU 74 - HD3 LYS 49 lone 0 96 - 0 - HG12 ILE 57 - HD2 LYS 49 lone 0 100 - 0 - HG12 ILE 57 - HD3 LYS 49 lone 0 100 - 0 - HG2 LYS 106 - HD3 LYS 49 lone 0 100 - 0 - HG2 LYS 106 - HD2 LYS 49 lone 0 100 - 0 - HG LEU 4 - HD2 LYS 49 lone 0 97 - 0 - HG LEU 4 - HD3 LYS 49 lone 0 97 - 0 - HG LEU 80 - HD3 LYS 49 lone 0 70 - 0 - HG LEU 80 - HD2 LYS 49 lone 0 70 - 0 - Peak 4164 from cnoeabs.peaks (1.65, 1.65, 28.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 49 + HD3 LYS 49 OK 100 100 - 100 HD2 LYS 49 + HD2 LYS 49 OK 100 100 - 100 Reference assignment not found: HD2 LYS 49 - HD3 LYS 49 Peak 4165 from cnoeabs.peaks (1.65, 1.65, 28.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 49 + HD3 LYS 49 OK 100 100 - 100 HD2 LYS 49 + HD2 LYS 49 OK 100 100 - 100 Peak 4166 from cnoeabs.peaks (3.02, 1.65, 28.78 ppm; 3.30 A): 4 out of 4 assignments used, quality = 1.00: HE3 LYS 49 + HD2 LYS 49 OK 100 100 - 100 - 3.0=100 HE3 LYS 49 + HD3 LYS 49 OK 100 100 - 100 - 3.0=100 HE2 LYS 49 + HD2 LYS 49 OK 100 100 - 100 - 3.0=100 * HE2 LYS 49 + HD3 LYS 49 OK 100 100 - 100 - 3.0=100 Peak 4167 from cnoeabs.peaks (3.02, 1.65, 28.78 ppm; 3.30 A): 4 out of 4 assignments used, quality = 1.00: HE3 LYS 49 + HD2 LYS 49 OK 100 100 - 100 - 3.0=100 * HE3 LYS 49 + HD3 LYS 49 OK 100 100 - 100 - 3.0=100 HE2 LYS 49 + HD2 LYS 49 OK 100 100 - 100 - 3.0=100 HE2 LYS 49 + HD3 LYS 49 OK 100 100 - 100 - 3.0=100 Peak 4170 from cnoeabs.peaks (1.90, 3.02, 41.78 ppm; 4.28 A): 4 out of 110 assignments used, quality = 1.00: HB2 LYS 49 + HE3 LYS 49 OK 96 100 - 96 - 5.1=58, 4115/3.0=18...(30) * HB2 LYS 49 + HE2 LYS 49 OK 96 100 - 96 - 5.1=58, 4115/3.0=18...(30) HB3 LYS 123 + HE2 LYS 123 OK 74 76 - 97 - 5.1=60, 7093/3.0=21...(28) HB3 LYS 123 + HE3 LYS 123 OK 68 70 - 97 - 5.1=60, 7093/3.0=21...(28) HB3 LYS 44 - HE2 LYS 123 OK 25 96 - 27 - ~7120=3, ~7093=3...(13) HB3 LYS 44 - HE3 LYS 123 OK 24 90 - 27 - ~7120=3, ~7093=3...(13) HB2 LYS 44 - HE2 LYS 123 OK 22 86 - 26 - 7093/3.0=3, ~7120=3...(12) HB2 LYS 44 - HE3 LYS 123 OK 20 79 - 26 - 7093/3.0=3, ~7120=3...(13) HB3 LYS 123 - HE2 LYS 49 OK 11 77 - 15 - 2.9/7115=2, 2.9/7141=1...(4) HB3 LYS 123 - HE3 LYS 49 OK 11 77 - 15 - 2.9/7115=2, 2.9/7141=1...(4) HB3 LYS 43 - HE2 LYS 94 lone 8 98 - 8 - ~11106=3, ~8085=2 HB2 LYS 43 - HE2 LYS 94 lone 7 93 - 8 - ~11106=3, ~8085=2 HB2 LYS 96 - HE2 LYS 123 lone 7 100 - 7 - HB2 LYS 96 - HE2 LYS 94 lone 7 98 - 7 - HB2 LYS 96 - HE3 LYS 123 lone 7 95 - 7 - HB2 LYS 49 - HE2 LYS 123 lone 6 100 - 6 - HB2 LYS 49 - HE3 LYS 123 lone 5 96 - 6 - HB ILE 71 - HE2 LYS 123 lone 5 99 - 5 - HB ILE 71 - HE3 LYS 123 lone 4 95 - 5 - HB3 LYS 44 - HE2 LYS 94 lone 4 94 - 4 - HB2 LYS 44 - HE2 LYS 94 lone 4 83 - 4 - HB3 LYS 43 - HE2 LYS 123 lone 3 100 - 3 - HB3 LYS 123 - HE2 LYS 94 lone 3 74 - 4 - HB2 LYS 43 - HE2 LYS 123 lone 3 95 - 3 - HB3 LYS 43 - HE3 LYS 123 lone 3 95 - 3 - HB ILE 71 - HE3 LYS 49 lone 3 100 - 3 - HB ILE 71 - HE2 LYS 49 lone 3 100 - 3 - HB2 LYS 43 - HE3 LYS 123 lone 3 89 - 3 - HG2 MET 121 - HE2 LYS 123 lone 3 65 - 4 - 1811/7.0=1 HB2 LYS 96 - HE2 LYS 49 lone 2 100 - 2 - HB2 LYS 96 - HE3 LYS 49 lone 2 100 - 2 - HG2 MET 121 - HE3 LYS 123 lone 2 58 - 4 - 1811/7.0=1 HB3 LYS 44 - HE3 LYS 49 lone 2 97 - 2 - HB3 LYS 44 - HE2 LYS 49 lone 2 97 - 2 - HB2 LYS 44 - HE2 LYS 49 lone 2 87 - 2 - HB2 LYS 44 - HE3 LYS 49 lone 2 87 - 2 - HB2 LYS 20 - HE2 LYS 94 lone 2 91 - 2 - HB3 LYS 20 - HE2 LYS 94 lone 2 91 - 2 - HB3 LYS 20 - HE2 LYS 49 lone 2 94 - 2 - HB3 LYS 20 - HE3 LYS 49 lone 2 94 - 2 - HB2 LYS 20 - HE3 LYS 49 lone 2 94 - 2 - HB2 LYS 20 - HE2 LYS 49 lone 2 94 - 2 - HB ILE 71 - HE2 LYS 94 lone 2 98 - 2 - HB ILE 7 - HE2 LYS 49 lone 1 97 - 1 - HB ILE 7 - HE3 LYS 49 lone 1 97 - 1 - HB2 ARG 95 - HE2 LYS 123 lone 1 100 - 1 - HB2 ARG 95 - HE3 LYS 123 lone 1 95 - 1 - HB2 LYS 73 - HE3 LYS 49 lone 1 99 - 1 - HB2 LYS 73 - HE2 LYS 49 lone 1 99 - 1 - HB3 LYS 73 - HE2 LYS 49 lone 1 99 - 1 - HB3 LYS 73 - HE3 LYS 49 lone 1 99 - 1 - HB2 ARG 95 - HE2 LYS 94 lone 1 98 - 1 - HB3 LYS 20 - HE2 LYS 123 lone 1 93 - 1 - HB2 LYS 20 - HE2 LYS 123 lone 1 93 - 1 - HB3 LYS 43 - HE2 LYS 49 lone 1 100 - 1 - HB3 LYS 43 - HE3 LYS 49 lone 1 100 - 1 - HB2 LYS 73 - HE2 LYS 123 lone 1 99 - 1 - HB2 LYS 43 - HE3 LYS 49 lone 1 96 - 1 - HB2 LYS 43 - HE2 LYS 49 lone 1 96 - 1 - HB2 LEU 45 - HE2 LYS 123 lone 1 98 - 1 - HB2 GLU 128 - HE2 LYS 123 lone 1 100 - 1 - HB2 LYS 49 - HE2 LYS 94 lone 1 99 - 1 - HB2 LYS 73 - HE3 LYS 123 lone 1 94 - 1 - HB3 LYS 20 - HE3 LYS 123 lone 1 87 - 1 - HB2 LYS 20 - HE3 LYS 123 lone 1 87 - 1 - HB3 LYS 73 - HE2 LYS 123 lone 1 98 - 1 - HB2 GLU 128 - HE3 LYS 123 lone 1 95 - 1 - HB2 LEU 45 - HE3 LYS 123 lone 1 93 - 1 - HB2 LEU 45 - HE3 LYS 49 lone 1 99 - 1 - HB2 LEU 45 - HE2 LYS 49 lone 1 99 - 1 - HB2 LYS 73 - HE2 LYS 94 lone 1 97 - 1 - HB3 LYS 73 - HE3 LYS 123 lone 1 93 - 1 - HB3 LYS 16 - HE2 LYS 94 lone 1 62 - 2 - HB3 LYS 73 - HE2 LYS 94 lone 1 97 - 1 - HB2 LYS 16 - HE2 LYS 94 lone 1 58 - 2 - HB ILE 15 - HE2 LYS 123 lone 1 73 - 1 - HB2 GLU 128 - HE3 LYS 49 lone 1 100 - 1 - HB2 GLU 128 - HE2 LYS 49 lone 1 100 - 1 - HB2 ARG 95 - HE2 LYS 49 lone 1 100 - 1 - HB2 ARG 95 - HE3 LYS 49 lone 1 100 - 1 - HB3 LYS 16 - HE2 LYS 123 lone 1 65 - 1 - HB2 LEU 45 - HE2 LYS 94 lone 1 97 - 1 - HB ILE 15 - HE3 LYS 123 lone 1 66 - 1 - HB2 LYS 16 - HE2 LYS 123 lone 1 61 - 1 - HB ILE 7 - HE2 LYS 94 lone 1 94 - 1 - HB3 LYS 16 - HE3 LYS 123 lone 1 58 - 1 - HB ILE 7 - HE2 LYS 123 lone 1 96 - 1 - QE MET 67 - HE2 LYS 123 lone 1 61 - 1 - QE MET 67 - HE3 LYS 49 lone 1 61 - 1 - QE MET 67 - HE2 LYS 49 lone 1 61 - 1 - HB2 LYS 16 - HE3 LYS 123 lone 1 55 - 1 - HB ILE 7 - HE3 LYS 123 lone 1 90 - 1 - QE MET 67 - HE3 LYS 123 lone 1 55 - 1 - HB2 GLU 128 - HE2 LYS 94 lone 1 98 - 1 - HG LEU 45 - HE2 LYS 123 lone 1 69 - 1 - HG LEU 45 - HE3 LYS 49 lone 1 70 - 1 - HG LEU 45 - HE2 LYS 49 lone 1 70 - 1 - HG LEU 45 - HE3 LYS 123 lone 1 62 - 1 - QE MET 67 - HE2 LYS 94 lone 1 58 - 1 - HB ILE 15 - HE3 LYS 49 lone 1 73 - 1 - HB ILE 15 - HE2 LYS 49 lone 1 73 - 1 - HB3 LYS 16 - HE3 LYS 49 lone 1 65 - 1 - HB3 LYS 16 - HE2 LYS 49 lone 1 65 - 1 - HG2 MET 121 - HE2 LYS 49 lone 1 65 - 1 - HG2 MET 121 - HE3 LYS 49 lone 1 65 - 1 - HB2 LYS 16 - HE2 LYS 49 lone 1 61 - 1 - HB2 LYS 16 - HE3 LYS 49 lone 1 61 - 1 - HB ILE 15 - HE2 LYS 94 lone 0 70 - 1 - HG LEU 45 - HE2 LYS 94 lone 0 66 - 1 - HG2 MET 121 - HE2 LYS 94 lone 0 62 - 1 - Peak 4171 from cnoeabs.peaks (1.75, 3.02, 41.78 ppm; 3.83 A): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 123 + HE2 LYS 123 OK 96 96 - 100 - 3.0=100 HD3 LYS 123 + HE3 LYS 123 OK 90 90 - 100 - 3.0=100 Reference assignment not found: HB3 LYS 49 - HE2 LYS 49 Peak 4172 from cnoeabs.peaks (1.46, 3.02, 41.78 ppm; 3.16 A): 4 out of 70 assignments used, quality = 1.00: HG2 LYS 49 + HE3 LYS 49 OK 88 100 - 88 - 3.8=56, 4134/3.0=7...(37) * HG2 LYS 49 + HE2 LYS 49 OK 88 100 - 88 - 3.8=56, 4134/3.0=7...(37) HG3 LYS 49 + HE3 LYS 49 OK 88 100 - 88 - 3.8=56, 4134/3.0=7...(37) HG3 LYS 49 + HE2 LYS 49 OK 88 100 - 88 - 3.8=56, 4134/3.0=7...(37) HG2 LYS 39 - HE2 LYS 123 OK 16 100 - 16 - 1.8/7115=2, ~7114=1...(6) HG2 LYS 39 - HE3 LYS 123 OK 15 96 - 16 - 1.8/7116=2, ~7114=1...(6) HG3 LYS 49 - HE2 LYS 123 lone 4 100 - 4 - HG2 LYS 49 - HE2 LYS 123 lone 4 100 - 4 - HG3 LYS 49 - HE3 LYS 123 lone 4 96 - 4 - HG2 LYS 49 - HE3 LYS 123 lone 4 96 - 4 - HB3 LEU 6 - HE2 LYS 49 lone 3 100 - 3 - HB3 LEU 6 - HE3 LYS 49 lone 3 100 - 3 - HG2 LYS 96 - HE2 LYS 123 lone 2 65 - 3 - HG2 LYS 96 - HE3 LYS 123 lone 2 58 - 3 - HG2 LYS 96 - HE2 LYS 94 lone 2 62 - 3 - HB3 LEU 38 - HE2 LYS 94 lone 1 98 - 2 - HG2 LYS 39 - HE3 LYS 49 lone 1 100 - 1 - HG2 LYS 39 - HE2 LYS 49 lone 1 100 - 1 - HB3 LEU 38 - HE2 LYS 123 lone 1 99 - 1 - HG2 LYS 39 - HE2 LYS 94 lone 1 99 - 1 - HB3 LEU 38 - HE3 LYS 123 lone 1 95 - 1 - HB3 LEU 38 - HE2 LYS 49 lone 1 100 - 1 - HB3 LEU 38 - HE3 LYS 49 lone 1 100 - 1 - HG3 LYS 49 - HE2 LYS 94 lone 1 99 - 1 - HG2 LYS 49 - HE2 LYS 94 lone 1 99 - 1 - HG2 LYS 96 - HE3 LYS 49 lone 1 65 - 1 - HG2 LYS 96 - HE2 LYS 49 lone 1 65 - 1 - HG2 LYS 106 - HE2 LYS 94 lone 1 98 - 1 - HG12 ILE 7 - HE3 LYS 49 lone 1 100 - 1 - HG12 ILE 7 - HE2 LYS 49 lone 1 100 - 1 - HG2 LYS 106 - HE2 LYS 123 lone 1 100 - 1 - HG2 LYS 106 - HE2 LYS 49 lone 0 100 - 0 - HG2 LYS 106 - HE3 LYS 49 lone 0 100 - 0 - HG2 LYS 106 - HE3 LYS 123 lone 0 95 - 1 - HG LEU 80 - HE2 LYS 94 lone 0 66 - 1 - HB2 LEU 74 - HE2 LYS 123 lone 0 95 - 0 - HG3 ARG 30 - HE3 LYS 49 lone 0 98 - 0 - HG3 ARG 30 - HE2 LYS 49 lone 0 98 - 0 - HG3 LYS 20 - HE2 LYS 94 lone 0 62 - 1 - HG3 LYS 20 - HE3 LYS 49 lone 0 65 - 1 - HG3 LYS 20 - HE2 LYS 49 lone 0 65 - 1 - HB2 LEU 74 - HE3 LYS 123 lone 0 89 - 0 - HB2 LEU 74 - HE3 LYS 49 lone 0 96 - 0 - HB2 LEU 74 - HE2 LYS 49 lone 0 96 - 0 - HG3 LYS 20 - HE2 LYS 123 lone 0 65 - 1 - HG12 ILE 57 - HE3 LYS 49 lone 0 100 - 0 - HG12 ILE 57 - HE2 LYS 49 lone 0 100 - 0 - HG3 LYS 20 - HE3 LYS 123 lone 0 58 - 1 - HG12 ILE 7 - HE2 LYS 94 lone 0 99 - 0 - HG LEU 4 - HE3 LYS 49 lone 0 97 - 0 - HG LEU 4 - HE2 LYS 49 lone 0 97 - 0 - HG12 ILE 7 - HE2 LYS 123 lone 0 100 - 0 - HG3 ARG 30 - HE2 LYS 123 lone 0 98 - 0 - HG12 ILE 7 - HE3 LYS 123 lone 0 96 - 0 - HG3 ARG 30 - HE2 LYS 94 lone 0 96 - 0 - HG3 ARG 30 - HE3 LYS 123 lone 0 92 - 0 - HB3 LEU 6 - HE2 LYS 123 lone 0 100 - 0 - HB2 LEU 74 - HE2 LYS 94 lone 0 93 - 0 - HG LEU 4 - HE2 LYS 94 lone 0 94 - 0 - HG12 ILE 57 - HE2 LYS 123 lone 0 100 - 0 - HB3 LEU 6 - HE2 LYS 94 lone 0 99 - 0 - HG12 ILE 57 - HE2 LYS 94 lone 0 98 - 0 - HB3 LEU 6 - HE3 LYS 123 lone 0 96 - 0 - HG LEU 4 - HE2 LYS 123 lone 0 96 - 0 - HG12 ILE 57 - HE3 LYS 123 lone 0 95 - 0 - HG LEU 80 - HE2 LYS 49 lone 0 70 - 0 - HG LEU 80 - HE3 LYS 49 lone 0 70 - 0 - HG LEU 4 - HE3 LYS 123 lone 0 90 - 0 - HG LEU 80 - HE2 LYS 123 lone 0 69 - 0 - HG LEU 80 - HE3 LYS 123 lone 0 62 - 0 - Peak 4173 from cnoeabs.peaks (1.46, 3.02, 41.78 ppm; 3.16 A): 4 out of 70 assignments used, quality = 1.00: HG2 LYS 49 + HE3 LYS 49 OK 88 100 - 88 - 3.8=56, 4134/3.0=7...(37) HG2 LYS 49 + HE2 LYS 49 OK 88 100 - 88 - 3.8=56, 4134/3.0=7...(37) HG3 LYS 49 + HE3 LYS 49 OK 88 100 - 88 - 3.8=56, 4134/3.0=7...(37) * HG3 LYS 49 + HE2 LYS 49 OK 88 100 - 88 - 3.8=56, 4134/3.0=7...(37) HG2 LYS 39 - HE2 LYS 123 OK 16 100 - 16 - 1.8/7115=2, ~7114=1...(6) HG2 LYS 39 - HE3 LYS 123 OK 15 96 - 16 - 1.8/7116=2, ~7114=1...(6) HG3 LYS 49 - HE2 LYS 123 lone 4 100 - 4 - HG2 LYS 49 - HE2 LYS 123 lone 4 100 - 4 - HG3 LYS 49 - HE3 LYS 123 lone 4 96 - 4 - HG2 LYS 49 - HE3 LYS 123 lone 4 96 - 4 - HB3 LEU 6 - HE2 LYS 49 lone 3 100 - 3 - HB3 LEU 6 - HE3 LYS 49 lone 3 100 - 3 - HG2 LYS 96 - HE2 LYS 123 lone 2 65 - 3 - HG2 LYS 96 - HE3 LYS 123 lone 2 58 - 3 - HG2 LYS 96 - HE2 LYS 94 lone 2 62 - 3 - HB3 LEU 38 - HE2 LYS 94 lone 1 98 - 2 - HG2 LYS 39 - HE3 LYS 49 lone 1 100 - 1 - HG2 LYS 39 - HE2 LYS 49 lone 1 100 - 1 - HB3 LEU 38 - HE2 LYS 123 lone 1 99 - 1 - HG2 LYS 39 - HE2 LYS 94 lone 1 99 - 1 - HB3 LEU 38 - HE3 LYS 123 lone 1 95 - 1 - HB3 LEU 38 - HE2 LYS 49 lone 1 100 - 1 - HB3 LEU 38 - HE3 LYS 49 lone 1 100 - 1 - HG3 LYS 49 - HE2 LYS 94 lone 1 99 - 1 - HG2 LYS 49 - HE2 LYS 94 lone 1 99 - 1 - HG2 LYS 96 - HE3 LYS 49 lone 1 65 - 1 - HG2 LYS 96 - HE2 LYS 49 lone 1 65 - 1 - HG2 LYS 106 - HE2 LYS 94 lone 1 98 - 1 - HG12 ILE 7 - HE3 LYS 49 lone 1 100 - 1 - HG12 ILE 7 - HE2 LYS 49 lone 1 100 - 1 - HG2 LYS 106 - HE2 LYS 123 lone 1 100 - 1 - HG2 LYS 106 - HE2 LYS 49 lone 0 100 - 0 - HG2 LYS 106 - HE3 LYS 49 lone 0 100 - 0 - HG2 LYS 106 - HE3 LYS 123 lone 0 95 - 1 - HG LEU 80 - HE2 LYS 94 lone 0 66 - 1 - HB2 LEU 74 - HE2 LYS 123 lone 0 95 - 0 - HG3 ARG 30 - HE3 LYS 49 lone 0 98 - 0 - HG3 ARG 30 - HE2 LYS 49 lone 0 98 - 0 - HG3 LYS 20 - HE2 LYS 94 lone 0 62 - 1 - HG3 LYS 20 - HE3 LYS 49 lone 0 65 - 1 - HG3 LYS 20 - HE2 LYS 49 lone 0 65 - 1 - HB2 LEU 74 - HE3 LYS 123 lone 0 89 - 0 - HB2 LEU 74 - HE3 LYS 49 lone 0 96 - 0 - HB2 LEU 74 - HE2 LYS 49 lone 0 96 - 0 - HG3 LYS 20 - HE2 LYS 123 lone 0 65 - 1 - HG12 ILE 57 - HE3 LYS 49 lone 0 100 - 0 - HG12 ILE 57 - HE2 LYS 49 lone 0 100 - 0 - HG3 LYS 20 - HE3 LYS 123 lone 0 58 - 1 - HG12 ILE 7 - HE2 LYS 94 lone 0 99 - 0 - HG LEU 4 - HE3 LYS 49 lone 0 97 - 0 - HG LEU 4 - HE2 LYS 49 lone 0 97 - 0 - HG12 ILE 7 - HE2 LYS 123 lone 0 100 - 0 - HG3 ARG 30 - HE2 LYS 123 lone 0 98 - 0 - HG12 ILE 7 - HE3 LYS 123 lone 0 96 - 0 - HG3 ARG 30 - HE2 LYS 94 lone 0 96 - 0 - HG3 ARG 30 - HE3 LYS 123 lone 0 92 - 0 - HB3 LEU 6 - HE2 LYS 123 lone 0 100 - 0 - HB2 LEU 74 - HE2 LYS 94 lone 0 93 - 0 - HG LEU 4 - HE2 LYS 94 lone 0 94 - 0 - HG12 ILE 57 - HE2 LYS 123 lone 0 100 - 0 - HB3 LEU 6 - HE2 LYS 94 lone 0 99 - 0 - HG12 ILE 57 - HE2 LYS 94 lone 0 98 - 0 - HB3 LEU 6 - HE3 LYS 123 lone 0 96 - 0 - HG LEU 4 - HE2 LYS 123 lone 0 96 - 0 - HG12 ILE 57 - HE3 LYS 123 lone 0 95 - 0 - HG LEU 80 - HE2 LYS 49 lone 0 70 - 0 - HG LEU 80 - HE3 LYS 49 lone 0 70 - 0 - HG LEU 4 - HE3 LYS 123 lone 0 90 - 0 - HG LEU 80 - HE2 LYS 123 lone 0 69 - 0 - HG LEU 80 - HE3 LYS 123 lone 0 62 - 0 - Peak 4174 from cnoeabs.peaks (1.65, 3.02, 41.78 ppm; 2.73 A): 4 out of 60 assignments used, quality = 1.00: HD3 LYS 49 + HE2 LYS 49 OK 85 100 - 85 - 3.0=77, 3.0/4183=4...(22) HD3 LYS 49 + HE3 LYS 49 OK 85 100 - 85 - 3.0=77, 3.0/4183=4...(22) * HD2 LYS 49 + HE2 LYS 49 OK 85 100 - 85 - 3.0=77, 3.0/4183=4...(22) HD2 LYS 49 + HE3 LYS 49 OK 85 100 - 85 - 3.0=77, 3.0/4183=4...(22) HD2 LYS 65 - HE2 LYS 123 lone 4 100 - 4 - HD3 LYS 65 - HE2 LYS 123 lone 4 100 - 4 - HD2 LYS 65 - HE3 LYS 123 lone 4 96 - 4 - HD3 LYS 65 - HE3 LYS 123 lone 4 95 - 4 - HG LEU 90 - HE2 LYS 94 lone 4 77 - 5 - 10096/6.9=1 HD3 LYS 65 - HE2 LYS 94 lone 3 98 - 3 - HD2 LYS 65 - HE2 LYS 94 lone 3 99 - 3 - HD2 LYS 49 - HE2 LYS 123 lone 2 100 - 2 - HD3 LYS 49 - HE2 LYS 123 lone 2 100 - 2 - HD3 LYS 49 - HE3 LYS 123 lone 2 96 - 2 - HD2 LYS 49 - HE3 LYS 123 lone 2 96 - 2 - HD2 LYS 115 - HE2 LYS 123 lone 2 99 - 2 - HD3 LYS 115 - HE2 LYS 123 lone 2 98 - 2 - HD2 LYS 115 - HE3 LYS 123 lone 2 95 - 2 - HD3 LYS 115 - HE3 LYS 123 lone 2 92 - 2 - HD2 LYS 115 - HE2 LYS 94 lone 1 98 - 1 - HD2 LYS 65 - HE2 LYS 49 lone 1 100 - 1 - HD2 LYS 65 - HE3 LYS 49 lone 1 100 - 1 - HD3 LYS 65 - HE2 LYS 49 lone 1 100 - 1 - HD3 LYS 65 - HE3 LYS 49 lone 1 100 - 1 - HD3 LYS 115 - HE2 LYS 94 lone 1 96 - 1 - HD2 LYS 115 - HE2 LYS 49 lone 1 100 - 1 - HD2 LYS 115 - HE3 LYS 49 lone 1 100 - 1 - HD3 LYS 115 - HE3 LYS 49 lone 1 98 - 1 - HD3 LYS 115 - HE2 LYS 49 lone 1 98 - 1 - HG LEU 114 - HE2 LYS 94 lone 1 98 - 1 - HG LEU 64 - HE2 LYS 94 lone 1 86 - 1 - HD3 LYS 49 - HE2 LYS 94 lone 0 99 - 0 - HD2 LYS 49 - HE2 LYS 94 lone 0 99 - 0 - HB2 GLU 52 - HE2 LYS 49 lone 0 100 - 0 - HB2 GLU 52 - HE3 LYS 49 lone 0 100 - 0 - HB2 GLU 52 - HE2 LYS 123 lone 0 99 - 0 - HB2 GLU 52 - HE3 LYS 123 lone 0 95 - 0 - HB2 ARG 30 - HE2 LYS 49 lone 0 100 - 0 - HB2 ARG 30 - HE3 LYS 49 lone 0 100 - 0 - HG LEU 114 - HE2 LYS 123 lone 0 100 - 0 - HB ILE 5 - HE2 LYS 49 lone 0 97 - 0 - HB ILE 5 - HE3 LYS 49 lone 0 97 - 0 - HG LEU 114 - HE3 LYS 123 lone 0 95 - 0 - HG LEU 90 - HE2 LYS 49 lone 0 81 - 0 - HG LEU 90 - HE3 LYS 49 lone 0 81 - 0 - HB2 GLU 52 - HE2 LYS 94 lone 0 98 - 0 - HG LEU 114 - HE3 LYS 49 lone 0 100 - 0 - HG LEU 114 - HE2 LYS 49 lone 0 100 - 0 - HG LEU 90 - HE2 LYS 123 lone 0 80 - 0 - HB2 ARG 30 - HE2 LYS 94 lone 0 99 - 0 - HB2 ARG 30 - HE2 LYS 123 lone 0 100 - 0 - HG LEU 90 - HE3 LYS 123 lone 0 73 - 0 - HB ILE 5 - HE2 LYS 94 lone 0 94 - 0 - HG LEU 64 - HE3 LYS 49 lone 0 90 - 0 - HG LEU 64 - HE2 LYS 49 lone 0 90 - 0 - HB2 ARG 30 - HE3 LYS 123 lone 0 96 - 0 - HG LEU 64 - HE2 LYS 123 lone 0 89 - 0 - HB ILE 5 - HE2 LYS 123 lone 0 96 - 0 - HG LEU 64 - HE3 LYS 123 lone 0 82 - 0 - HB ILE 5 - HE3 LYS 123 lone 0 90 - 0 - Peak 4175 from cnoeabs.peaks (1.65, 3.02, 41.78 ppm; 2.73 A): 4 out of 60 assignments used, quality = 1.00: * HD3 LYS 49 + HE2 LYS 49 OK 85 100 - 85 - 3.0=77, 3.0/4183=4...(22) HD3 LYS 49 + HE3 LYS 49 OK 85 100 - 85 - 3.0=77, 3.0/4183=4...(22) HD2 LYS 49 + HE2 LYS 49 OK 85 100 - 85 - 3.0=77, 3.0/4183=4...(22) HD2 LYS 49 + HE3 LYS 49 OK 85 100 - 85 - 3.0=77, 3.0/4183=4...(22) HD2 LYS 65 - HE2 LYS 123 lone 4 100 - 4 - HD3 LYS 65 - HE2 LYS 123 lone 4 100 - 4 - HD2 LYS 65 - HE3 LYS 123 lone 4 96 - 4 - HD3 LYS 65 - HE3 LYS 123 lone 4 95 - 4 - HG LEU 90 - HE2 LYS 94 lone 4 77 - 5 - 10096/6.9=1 HD3 LYS 65 - HE2 LYS 94 lone 3 98 - 3 - HD2 LYS 65 - HE2 LYS 94 lone 3 99 - 3 - HD2 LYS 49 - HE2 LYS 123 lone 2 100 - 2 - HD3 LYS 49 - HE2 LYS 123 lone 2 100 - 2 - HD3 LYS 49 - HE3 LYS 123 lone 2 96 - 2 - HD2 LYS 49 - HE3 LYS 123 lone 2 96 - 2 - HD2 LYS 115 - HE2 LYS 123 lone 2 99 - 2 - HD3 LYS 115 - HE2 LYS 123 lone 2 98 - 2 - HD2 LYS 115 - HE3 LYS 123 lone 2 95 - 2 - HD3 LYS 115 - HE3 LYS 123 lone 2 92 - 2 - HD2 LYS 115 - HE2 LYS 94 lone 1 98 - 1 - HD2 LYS 65 - HE2 LYS 49 lone 1 100 - 1 - HD2 LYS 65 - HE3 LYS 49 lone 1 100 - 1 - HD3 LYS 65 - HE2 LYS 49 lone 1 100 - 1 - HD3 LYS 65 - HE3 LYS 49 lone 1 100 - 1 - HD3 LYS 115 - HE2 LYS 94 lone 1 96 - 1 - HD2 LYS 115 - HE2 LYS 49 lone 1 100 - 1 - HD2 LYS 115 - HE3 LYS 49 lone 1 100 - 1 - HD3 LYS 115 - HE3 LYS 49 lone 1 98 - 1 - HD3 LYS 115 - HE2 LYS 49 lone 1 98 - 1 - HG LEU 114 - HE2 LYS 94 lone 1 98 - 1 - HG LEU 64 - HE2 LYS 94 lone 1 86 - 1 - HD3 LYS 49 - HE2 LYS 94 lone 0 99 - 0 - HD2 LYS 49 - HE2 LYS 94 lone 0 99 - 0 - HB2 GLU 52 - HE2 LYS 49 lone 0 100 - 0 - HB2 GLU 52 - HE3 LYS 49 lone 0 100 - 0 - HB2 GLU 52 - HE2 LYS 123 lone 0 99 - 0 - HB2 GLU 52 - HE3 LYS 123 lone 0 95 - 0 - HB2 ARG 30 - HE2 LYS 49 lone 0 100 - 0 - HB2 ARG 30 - HE3 LYS 49 lone 0 100 - 0 - HG LEU 114 - HE2 LYS 123 lone 0 100 - 0 - HB ILE 5 - HE2 LYS 49 lone 0 97 - 0 - HB ILE 5 - HE3 LYS 49 lone 0 97 - 0 - HG LEU 114 - HE3 LYS 123 lone 0 95 - 0 - HG LEU 90 - HE2 LYS 49 lone 0 81 - 0 - HG LEU 90 - HE3 LYS 49 lone 0 81 - 0 - HB2 GLU 52 - HE2 LYS 94 lone 0 98 - 0 - HG LEU 114 - HE3 LYS 49 lone 0 100 - 0 - HG LEU 114 - HE2 LYS 49 lone 0 100 - 0 - HG LEU 90 - HE2 LYS 123 lone 0 80 - 0 - HB2 ARG 30 - HE2 LYS 94 lone 0 99 - 0 - HB2 ARG 30 - HE2 LYS 123 lone 0 100 - 0 - HG LEU 90 - HE3 LYS 123 lone 0 73 - 0 - HB ILE 5 - HE2 LYS 94 lone 0 94 - 0 - HG LEU 64 - HE3 LYS 49 lone 0 90 - 0 - HG LEU 64 - HE2 LYS 49 lone 0 90 - 0 - HB2 ARG 30 - HE3 LYS 123 lone 0 96 - 0 - HG LEU 64 - HE2 LYS 123 lone 0 89 - 0 - HB ILE 5 - HE2 LYS 123 lone 0 96 - 0 - HG LEU 64 - HE3 LYS 123 lone 0 82 - 0 - HB ILE 5 - HE3 LYS 123 lone 0 90 - 0 - Peak 4176 from cnoeabs.peaks (3.02, 3.02, 41.78 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HE3 LYS 49 + HE3 LYS 49 OK 100 100 - 100 * HE2 LYS 49 + HE2 LYS 49 OK 100 100 - 100 HE2 LYS 123 + HE2 LYS 123 OK 100 100 - 100 HE2 LYS 94 + HE2 LYS 94 OK 97 97 - 100 HE3 LYS 123 + HE3 LYS 123 OK 92 92 - 100 Peak 4177 from cnoeabs.peaks (3.02, 3.02, 41.78 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HE3 LYS 49 + HE3 LYS 49 OK 100 100 - 100 HE2 LYS 49 + HE2 LYS 49 OK 100 100 - 100 HE2 LYS 123 + HE2 LYS 123 OK 100 100 - 100 HE2 LYS 94 + HE2 LYS 94 OK 97 97 - 100 HE3 LYS 123 + HE3 LYS 123 OK 92 92 - 100 Reference assignment not found: HE3 LYS 49 - HE2 LYS 49 Peak 4180 from cnoeabs.peaks (1.90, 3.02, 41.78 ppm; 4.28 A): 4 out of 110 assignments used, quality = 1.00: * HB2 LYS 49 + HE3 LYS 49 OK 96 100 - 96 - 5.1=58, 4115/3.0=18...(30) HB2 LYS 49 + HE2 LYS 49 OK 96 100 - 96 - 5.1=58, 4115/3.0=18...(30) HB3 LYS 123 + HE2 LYS 123 OK 74 76 - 97 - 5.1=60, 7093/3.0=21...(28) HB3 LYS 123 + HE3 LYS 123 OK 68 70 - 97 - 5.1=60, 7093/3.0=21...(28) HB3 LYS 44 - HE2 LYS 123 OK 25 96 - 27 - ~7120=3, ~7093=3...(13) HB3 LYS 44 - HE3 LYS 123 OK 24 90 - 27 - ~7120=3, ~7093=3...(13) HB2 LYS 44 - HE2 LYS 123 OK 22 86 - 26 - 7093/3.0=3, ~7120=3...(12) HB2 LYS 44 - HE3 LYS 123 OK 20 79 - 26 - 7093/3.0=3, ~7120=3...(13) HB3 LYS 123 - HE2 LYS 49 OK 11 77 - 15 - 2.9/7115=2, 2.9/7141=1...(4) HB3 LYS 123 - HE3 LYS 49 OK 11 77 - 15 - 2.9/7115=2, 2.9/7141=1...(4) HB3 LYS 43 - HE2 LYS 94 lone 8 98 - 8 - ~11106=3, ~8085=2 HB2 LYS 43 - HE2 LYS 94 lone 7 93 - 8 - ~11106=3, ~8085=2 HB2 LYS 96 - HE2 LYS 123 lone 7 100 - 7 - HB2 LYS 96 - HE2 LYS 94 lone 7 98 - 7 - HB2 LYS 96 - HE3 LYS 123 lone 7 95 - 7 - HB2 LYS 49 - HE2 LYS 123 lone 6 100 - 6 - HB2 LYS 49 - HE3 LYS 123 lone 5 96 - 6 - HB ILE 71 - HE2 LYS 123 lone 5 99 - 5 - HB ILE 71 - HE3 LYS 123 lone 4 95 - 5 - HB3 LYS 44 - HE2 LYS 94 lone 4 94 - 4 - HB2 LYS 44 - HE2 LYS 94 lone 4 83 - 4 - HB3 LYS 43 - HE2 LYS 123 lone 3 100 - 3 - HB3 LYS 123 - HE2 LYS 94 lone 3 74 - 4 - HB2 LYS 43 - HE2 LYS 123 lone 3 95 - 3 - HB3 LYS 43 - HE3 LYS 123 lone 3 95 - 3 - HB ILE 71 - HE3 LYS 49 lone 3 100 - 3 - HB ILE 71 - HE2 LYS 49 lone 3 100 - 3 - HB2 LYS 43 - HE3 LYS 123 lone 3 89 - 3 - HG2 MET 121 - HE2 LYS 123 lone 3 65 - 4 - 1811/7.0=1 HB2 LYS 96 - HE2 LYS 49 lone 2 100 - 2 - HB2 LYS 96 - HE3 LYS 49 lone 2 100 - 2 - HG2 MET 121 - HE3 LYS 123 lone 2 58 - 4 - 1811/7.0=1 HB3 LYS 44 - HE3 LYS 49 lone 2 97 - 2 - HB3 LYS 44 - HE2 LYS 49 lone 2 97 - 2 - HB2 LYS 44 - HE2 LYS 49 lone 2 87 - 2 - HB2 LYS 44 - HE3 LYS 49 lone 2 87 - 2 - HB2 LYS 20 - HE2 LYS 94 lone 2 91 - 2 - HB3 LYS 20 - HE2 LYS 94 lone 2 91 - 2 - HB3 LYS 20 - HE2 LYS 49 lone 2 94 - 2 - HB3 LYS 20 - HE3 LYS 49 lone 2 94 - 2 - HB2 LYS 20 - HE3 LYS 49 lone 2 94 - 2 - HB2 LYS 20 - HE2 LYS 49 lone 2 94 - 2 - HB ILE 71 - HE2 LYS 94 lone 2 98 - 2 - HB ILE 7 - HE2 LYS 49 lone 1 97 - 1 - HB ILE 7 - HE3 LYS 49 lone 1 97 - 1 - HB2 ARG 95 - HE2 LYS 123 lone 1 100 - 1 - HB2 ARG 95 - HE3 LYS 123 lone 1 95 - 1 - HB2 LYS 73 - HE3 LYS 49 lone 1 99 - 1 - HB2 LYS 73 - HE2 LYS 49 lone 1 99 - 1 - HB3 LYS 73 - HE2 LYS 49 lone 1 99 - 1 - HB3 LYS 73 - HE3 LYS 49 lone 1 99 - 1 - HB2 ARG 95 - HE2 LYS 94 lone 1 98 - 1 - HB3 LYS 20 - HE2 LYS 123 lone 1 93 - 1 - HB2 LYS 20 - HE2 LYS 123 lone 1 93 - 1 - HB3 LYS 43 - HE2 LYS 49 lone 1 100 - 1 - HB3 LYS 43 - HE3 LYS 49 lone 1 100 - 1 - HB2 LYS 73 - HE2 LYS 123 lone 1 99 - 1 - HB2 LYS 43 - HE3 LYS 49 lone 1 96 - 1 - HB2 LYS 43 - HE2 LYS 49 lone 1 96 - 1 - HB2 LEU 45 - HE2 LYS 123 lone 1 98 - 1 - HB2 GLU 128 - HE2 LYS 123 lone 1 100 - 1 - HB2 LYS 49 - HE2 LYS 94 lone 1 99 - 1 - HB2 LYS 73 - HE3 LYS 123 lone 1 94 - 1 - HB3 LYS 20 - HE3 LYS 123 lone 1 87 - 1 - HB2 LYS 20 - HE3 LYS 123 lone 1 87 - 1 - HB3 LYS 73 - HE2 LYS 123 lone 1 98 - 1 - HB2 GLU 128 - HE3 LYS 123 lone 1 95 - 1 - HB2 LEU 45 - HE3 LYS 123 lone 1 93 - 1 - HB2 LEU 45 - HE3 LYS 49 lone 1 99 - 1 - HB2 LEU 45 - HE2 LYS 49 lone 1 99 - 1 - HB2 LYS 73 - HE2 LYS 94 lone 1 97 - 1 - HB3 LYS 73 - HE3 LYS 123 lone 1 93 - 1 - HB3 LYS 16 - HE2 LYS 94 lone 1 62 - 2 - HB3 LYS 73 - HE2 LYS 94 lone 1 97 - 1 - HB2 LYS 16 - HE2 LYS 94 lone 1 58 - 2 - HB ILE 15 - HE2 LYS 123 lone 1 73 - 1 - HB2 GLU 128 - HE3 LYS 49 lone 1 100 - 1 - HB2 GLU 128 - HE2 LYS 49 lone 1 100 - 1 - HB2 ARG 95 - HE2 LYS 49 lone 1 100 - 1 - HB2 ARG 95 - HE3 LYS 49 lone 1 100 - 1 - HB3 LYS 16 - HE2 LYS 123 lone 1 65 - 1 - HB2 LEU 45 - HE2 LYS 94 lone 1 97 - 1 - HB ILE 15 - HE3 LYS 123 lone 1 66 - 1 - HB2 LYS 16 - HE2 LYS 123 lone 1 61 - 1 - HB ILE 7 - HE2 LYS 94 lone 1 94 - 1 - HB3 LYS 16 - HE3 LYS 123 lone 1 58 - 1 - HB ILE 7 - HE2 LYS 123 lone 1 96 - 1 - QE MET 67 - HE2 LYS 123 lone 1 61 - 1 - QE MET 67 - HE3 LYS 49 lone 1 61 - 1 - QE MET 67 - HE2 LYS 49 lone 1 61 - 1 - HB2 LYS 16 - HE3 LYS 123 lone 1 55 - 1 - HB ILE 7 - HE3 LYS 123 lone 1 90 - 1 - QE MET 67 - HE3 LYS 123 lone 1 55 - 1 - HB2 GLU 128 - HE2 LYS 94 lone 1 98 - 1 - HG LEU 45 - HE2 LYS 123 lone 1 69 - 1 - HG LEU 45 - HE3 LYS 49 lone 1 70 - 1 - HG LEU 45 - HE2 LYS 49 lone 1 70 - 1 - HG LEU 45 - HE3 LYS 123 lone 1 62 - 1 - QE MET 67 - HE2 LYS 94 lone 1 58 - 1 - HB ILE 15 - HE3 LYS 49 lone 1 73 - 1 - HB ILE 15 - HE2 LYS 49 lone 1 73 - 1 - HB3 LYS 16 - HE3 LYS 49 lone 1 65 - 1 - HB3 LYS 16 - HE2 LYS 49 lone 1 65 - 1 - HG2 MET 121 - HE2 LYS 49 lone 1 65 - 1 - HG2 MET 121 - HE3 LYS 49 lone 1 65 - 1 - HB2 LYS 16 - HE2 LYS 49 lone 1 61 - 1 - HB2 LYS 16 - HE3 LYS 49 lone 1 61 - 1 - HB ILE 15 - HE2 LYS 94 lone 0 70 - 1 - HG LEU 45 - HE2 LYS 94 lone 0 66 - 1 - HG2 MET 121 - HE2 LYS 94 lone 0 62 - 1 - Peak 4181 from cnoeabs.peaks (1.75, 3.02, 41.78 ppm; 3.83 A): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 123 + HE2 LYS 123 OK 96 96 - 100 - 3.0=100 HD3 LYS 123 + HE3 LYS 123 OK 90 90 - 100 - 3.0=100 Reference assignment not found: HB3 LYS 49 - HE3 LYS 49 Peak 4182 from cnoeabs.peaks (1.46, 3.02, 41.78 ppm; 3.16 A): 4 out of 70 assignments used, quality = 1.00: * HG2 LYS 49 + HE3 LYS 49 OK 88 100 - 88 - 3.8=56, 4134/3.0=7...(37) HG2 LYS 49 + HE2 LYS 49 OK 88 100 - 88 - 3.8=56, 4134/3.0=7...(37) HG3 LYS 49 + HE3 LYS 49 OK 88 100 - 88 - 3.8=56, 4134/3.0=7...(37) HG3 LYS 49 + HE2 LYS 49 OK 88 100 - 88 - 3.8=56, 4134/3.0=7...(37) HG2 LYS 39 - HE2 LYS 123 OK 16 100 - 16 - 1.8/7115=2, ~7114=1...(6) HG2 LYS 39 - HE3 LYS 123 OK 15 96 - 16 - 1.8/7116=2, ~7114=1...(6) HG3 LYS 49 - HE2 LYS 123 lone 4 100 - 4 - HG2 LYS 49 - HE2 LYS 123 lone 4 100 - 4 - HG3 LYS 49 - HE3 LYS 123 lone 4 96 - 4 - HG2 LYS 49 - HE3 LYS 123 lone 4 96 - 4 - HB3 LEU 6 - HE2 LYS 49 lone 3 100 - 3 - HB3 LEU 6 - HE3 LYS 49 lone 3 100 - 3 - HG2 LYS 96 - HE2 LYS 123 lone 2 65 - 3 - HG2 LYS 96 - HE3 LYS 123 lone 2 58 - 3 - HG2 LYS 96 - HE2 LYS 94 lone 2 62 - 3 - HB3 LEU 38 - HE2 LYS 94 lone 1 98 - 2 - HG2 LYS 39 - HE3 LYS 49 lone 1 100 - 1 - HG2 LYS 39 - HE2 LYS 49 lone 1 100 - 1 - HB3 LEU 38 - HE2 LYS 123 lone 1 99 - 1 - HG2 LYS 39 - HE2 LYS 94 lone 1 99 - 1 - HB3 LEU 38 - HE3 LYS 123 lone 1 95 - 1 - HB3 LEU 38 - HE2 LYS 49 lone 1 100 - 1 - HB3 LEU 38 - HE3 LYS 49 lone 1 100 - 1 - HG3 LYS 49 - HE2 LYS 94 lone 1 99 - 1 - HG2 LYS 49 - HE2 LYS 94 lone 1 99 - 1 - HG2 LYS 96 - HE3 LYS 49 lone 1 65 - 1 - HG2 LYS 96 - HE2 LYS 49 lone 1 65 - 1 - HG2 LYS 106 - HE2 LYS 94 lone 1 98 - 1 - HG12 ILE 7 - HE3 LYS 49 lone 1 100 - 1 - HG12 ILE 7 - HE2 LYS 49 lone 1 100 - 1 - HG2 LYS 106 - HE2 LYS 123 lone 1 100 - 1 - HG2 LYS 106 - HE2 LYS 49 lone 0 100 - 0 - HG2 LYS 106 - HE3 LYS 49 lone 0 100 - 0 - HG2 LYS 106 - HE3 LYS 123 lone 0 95 - 1 - HG LEU 80 - HE2 LYS 94 lone 0 66 - 1 - HB2 LEU 74 - HE2 LYS 123 lone 0 95 - 0 - HG3 ARG 30 - HE3 LYS 49 lone 0 98 - 0 - HG3 ARG 30 - HE2 LYS 49 lone 0 98 - 0 - HG3 LYS 20 - HE2 LYS 94 lone 0 62 - 1 - HG3 LYS 20 - HE3 LYS 49 lone 0 65 - 1 - HG3 LYS 20 - HE2 LYS 49 lone 0 65 - 1 - HB2 LEU 74 - HE3 LYS 123 lone 0 89 - 0 - HB2 LEU 74 - HE3 LYS 49 lone 0 96 - 0 - HB2 LEU 74 - HE2 LYS 49 lone 0 96 - 0 - HG3 LYS 20 - HE2 LYS 123 lone 0 65 - 1 - HG12 ILE 57 - HE3 LYS 49 lone 0 100 - 0 - HG12 ILE 57 - HE2 LYS 49 lone 0 100 - 0 - HG3 LYS 20 - HE3 LYS 123 lone 0 58 - 1 - HG12 ILE 7 - HE2 LYS 94 lone 0 99 - 0 - HG LEU 4 - HE3 LYS 49 lone 0 97 - 0 - HG LEU 4 - HE2 LYS 49 lone 0 97 - 0 - HG12 ILE 7 - HE2 LYS 123 lone 0 100 - 0 - HG3 ARG 30 - HE2 LYS 123 lone 0 98 - 0 - HG12 ILE 7 - HE3 LYS 123 lone 0 96 - 0 - HG3 ARG 30 - HE2 LYS 94 lone 0 96 - 0 - HG3 ARG 30 - HE3 LYS 123 lone 0 92 - 0 - HB3 LEU 6 - HE2 LYS 123 lone 0 100 - 0 - HB2 LEU 74 - HE2 LYS 94 lone 0 93 - 0 - HG LEU 4 - HE2 LYS 94 lone 0 94 - 0 - HG12 ILE 57 - HE2 LYS 123 lone 0 100 - 0 - HB3 LEU 6 - HE2 LYS 94 lone 0 99 - 0 - HG12 ILE 57 - HE2 LYS 94 lone 0 98 - 0 - HB3 LEU 6 - HE3 LYS 123 lone 0 96 - 0 - HG LEU 4 - HE2 LYS 123 lone 0 96 - 0 - HG12 ILE 57 - HE3 LYS 123 lone 0 95 - 0 - HG LEU 80 - HE2 LYS 49 lone 0 70 - 0 - HG LEU 80 - HE3 LYS 49 lone 0 70 - 0 - HG LEU 4 - HE3 LYS 123 lone 0 90 - 0 - HG LEU 80 - HE2 LYS 123 lone 0 69 - 0 - HG LEU 80 - HE3 LYS 123 lone 0 62 - 0 - Peak 4183 from cnoeabs.peaks (1.46, 3.02, 41.78 ppm; 3.16 A): 4 out of 70 assignments used, quality = 1.00: HG2 LYS 49 + HE3 LYS 49 OK 88 100 - 88 - 3.8=56, 4134/3.0=7...(37) HG2 LYS 49 + HE2 LYS 49 OK 88 100 - 88 - 3.8=56, 4134/3.0=7...(37) * HG3 LYS 49 + HE3 LYS 49 OK 88 100 - 88 - 3.8=56, 4134/3.0=7...(37) HG3 LYS 49 + HE2 LYS 49 OK 88 100 - 88 - 3.8=56, 4134/3.0=7...(37) HG2 LYS 39 - HE2 LYS 123 OK 16 100 - 16 - 1.8/7115=2, ~7114=1...(6) HG2 LYS 39 - HE3 LYS 123 OK 15 96 - 16 - 1.8/7116=2, ~7114=1...(6) HG3 LYS 49 - HE2 LYS 123 lone 4 100 - 4 - HG2 LYS 49 - HE2 LYS 123 lone 4 100 - 4 - HG3 LYS 49 - HE3 LYS 123 lone 4 96 - 4 - HG2 LYS 49 - HE3 LYS 123 lone 4 96 - 4 - HB3 LEU 6 - HE2 LYS 49 lone 3 100 - 3 - HB3 LEU 6 - HE3 LYS 49 lone 3 100 - 3 - HG2 LYS 96 - HE2 LYS 123 lone 2 65 - 3 - HG2 LYS 96 - HE3 LYS 123 lone 2 58 - 3 - HG2 LYS 96 - HE2 LYS 94 lone 2 62 - 3 - HB3 LEU 38 - HE2 LYS 94 lone 1 98 - 2 - HG2 LYS 39 - HE3 LYS 49 lone 1 100 - 1 - HG2 LYS 39 - HE2 LYS 49 lone 1 100 - 1 - HB3 LEU 38 - HE2 LYS 123 lone 1 99 - 1 - HG2 LYS 39 - HE2 LYS 94 lone 1 99 - 1 - HB3 LEU 38 - HE3 LYS 123 lone 1 95 - 1 - HB3 LEU 38 - HE2 LYS 49 lone 1 100 - 1 - HB3 LEU 38 - HE3 LYS 49 lone 1 100 - 1 - HG3 LYS 49 - HE2 LYS 94 lone 1 99 - 1 - HG2 LYS 49 - HE2 LYS 94 lone 1 99 - 1 - HG2 LYS 96 - HE3 LYS 49 lone 1 65 - 1 - HG2 LYS 96 - HE2 LYS 49 lone 1 65 - 1 - HG2 LYS 106 - HE2 LYS 94 lone 1 98 - 1 - HG12 ILE 7 - HE3 LYS 49 lone 1 100 - 1 - HG12 ILE 7 - HE2 LYS 49 lone 1 100 - 1 - HG2 LYS 106 - HE2 LYS 123 lone 1 100 - 1 - HG2 LYS 106 - HE2 LYS 49 lone 0 100 - 0 - HG2 LYS 106 - HE3 LYS 49 lone 0 100 - 0 - HG2 LYS 106 - HE3 LYS 123 lone 0 95 - 1 - HG LEU 80 - HE2 LYS 94 lone 0 66 - 1 - HB2 LEU 74 - HE2 LYS 123 lone 0 95 - 0 - HG3 ARG 30 - HE3 LYS 49 lone 0 98 - 0 - HG3 ARG 30 - HE2 LYS 49 lone 0 98 - 0 - HG3 LYS 20 - HE2 LYS 94 lone 0 62 - 1 - HG3 LYS 20 - HE3 LYS 49 lone 0 65 - 1 - HG3 LYS 20 - HE2 LYS 49 lone 0 65 - 1 - HB2 LEU 74 - HE3 LYS 123 lone 0 89 - 0 - HB2 LEU 74 - HE3 LYS 49 lone 0 96 - 0 - HB2 LEU 74 - HE2 LYS 49 lone 0 96 - 0 - HG3 LYS 20 - HE2 LYS 123 lone 0 65 - 1 - HG12 ILE 57 - HE3 LYS 49 lone 0 100 - 0 - HG12 ILE 57 - HE2 LYS 49 lone 0 100 - 0 - HG3 LYS 20 - HE3 LYS 123 lone 0 58 - 1 - HG12 ILE 7 - HE2 LYS 94 lone 0 99 - 0 - HG LEU 4 - HE3 LYS 49 lone 0 97 - 0 - HG LEU 4 - HE2 LYS 49 lone 0 97 - 0 - HG12 ILE 7 - HE2 LYS 123 lone 0 100 - 0 - HG3 ARG 30 - HE2 LYS 123 lone 0 98 - 0 - HG12 ILE 7 - HE3 LYS 123 lone 0 96 - 0 - HG3 ARG 30 - HE2 LYS 94 lone 0 96 - 0 - HG3 ARG 30 - HE3 LYS 123 lone 0 92 - 0 - HB3 LEU 6 - HE2 LYS 123 lone 0 100 - 0 - HB2 LEU 74 - HE2 LYS 94 lone 0 93 - 0 - HG LEU 4 - HE2 LYS 94 lone 0 94 - 0 - HG12 ILE 57 - HE2 LYS 123 lone 0 100 - 0 - HB3 LEU 6 - HE2 LYS 94 lone 0 99 - 0 - HG12 ILE 57 - HE2 LYS 94 lone 0 98 - 0 - HB3 LEU 6 - HE3 LYS 123 lone 0 96 - 0 - HG LEU 4 - HE2 LYS 123 lone 0 96 - 0 - HG12 ILE 57 - HE3 LYS 123 lone 0 95 - 0 - HG LEU 80 - HE2 LYS 49 lone 0 70 - 0 - HG LEU 80 - HE3 LYS 49 lone 0 70 - 0 - HG LEU 4 - HE3 LYS 123 lone 0 90 - 0 - HG LEU 80 - HE2 LYS 123 lone 0 69 - 0 - HG LEU 80 - HE3 LYS 123 lone 0 62 - 0 - Peak 4184 from cnoeabs.peaks (1.65, 3.02, 41.78 ppm; 2.73 A): 4 out of 60 assignments used, quality = 1.00: HD3 LYS 49 + HE2 LYS 49 OK 85 100 - 85 - 3.0=77, 3.0/4183=4...(22) HD3 LYS 49 + HE3 LYS 49 OK 85 100 - 85 - 3.0=77, 3.0/4183=4...(22) HD2 LYS 49 + HE2 LYS 49 OK 85 100 - 85 - 3.0=77, 3.0/4183=4...(22) * HD2 LYS 49 + HE3 LYS 49 OK 85 100 - 85 - 3.0=77, 3.0/4183=4...(22) HD2 LYS 65 - HE2 LYS 123 lone 4 100 - 4 - HD3 LYS 65 - HE2 LYS 123 lone 4 100 - 4 - HD2 LYS 65 - HE3 LYS 123 lone 4 96 - 4 - HD3 LYS 65 - HE3 LYS 123 lone 4 95 - 4 - HG LEU 90 - HE2 LYS 94 lone 4 77 - 5 - 10096/6.9=1 HD3 LYS 65 - HE2 LYS 94 lone 3 98 - 3 - HD2 LYS 65 - HE2 LYS 94 lone 3 99 - 3 - HD2 LYS 49 - HE2 LYS 123 lone 2 100 - 2 - HD3 LYS 49 - HE2 LYS 123 lone 2 100 - 2 - HD3 LYS 49 - HE3 LYS 123 lone 2 96 - 2 - HD2 LYS 49 - HE3 LYS 123 lone 2 96 - 2 - HD2 LYS 115 - HE2 LYS 123 lone 2 99 - 2 - HD3 LYS 115 - HE2 LYS 123 lone 2 98 - 2 - HD2 LYS 115 - HE3 LYS 123 lone 2 95 - 2 - HD3 LYS 115 - HE3 LYS 123 lone 2 92 - 2 - HD2 LYS 115 - HE2 LYS 94 lone 1 98 - 1 - HD2 LYS 65 - HE2 LYS 49 lone 1 100 - 1 - HD2 LYS 65 - HE3 LYS 49 lone 1 100 - 1 - HD3 LYS 65 - HE2 LYS 49 lone 1 100 - 1 - HD3 LYS 65 - HE3 LYS 49 lone 1 100 - 1 - HD3 LYS 115 - HE2 LYS 94 lone 1 96 - 1 - HD2 LYS 115 - HE2 LYS 49 lone 1 100 - 1 - HD2 LYS 115 - HE3 LYS 49 lone 1 100 - 1 - HD3 LYS 115 - HE3 LYS 49 lone 1 98 - 1 - HD3 LYS 115 - HE2 LYS 49 lone 1 98 - 1 - HG LEU 114 - HE2 LYS 94 lone 1 98 - 1 - HG LEU 64 - HE2 LYS 94 lone 1 86 - 1 - HD3 LYS 49 - HE2 LYS 94 lone 0 99 - 0 - HD2 LYS 49 - HE2 LYS 94 lone 0 99 - 0 - HB2 GLU 52 - HE2 LYS 49 lone 0 100 - 0 - HB2 GLU 52 - HE3 LYS 49 lone 0 100 - 0 - HB2 GLU 52 - HE2 LYS 123 lone 0 99 - 0 - HB2 GLU 52 - HE3 LYS 123 lone 0 95 - 0 - HB2 ARG 30 - HE2 LYS 49 lone 0 100 - 0 - HB2 ARG 30 - HE3 LYS 49 lone 0 100 - 0 - HG LEU 114 - HE2 LYS 123 lone 0 100 - 0 - HB ILE 5 - HE2 LYS 49 lone 0 97 - 0 - HB ILE 5 - HE3 LYS 49 lone 0 97 - 0 - HG LEU 114 - HE3 LYS 123 lone 0 95 - 0 - HG LEU 90 - HE2 LYS 49 lone 0 81 - 0 - HG LEU 90 - HE3 LYS 49 lone 0 81 - 0 - HB2 GLU 52 - HE2 LYS 94 lone 0 98 - 0 - HG LEU 114 - HE3 LYS 49 lone 0 100 - 0 - HG LEU 114 - HE2 LYS 49 lone 0 100 - 0 - HG LEU 90 - HE2 LYS 123 lone 0 80 - 0 - HB2 ARG 30 - HE2 LYS 94 lone 0 99 - 0 - HB2 ARG 30 - HE2 LYS 123 lone 0 100 - 0 - HG LEU 90 - HE3 LYS 123 lone 0 73 - 0 - HB ILE 5 - HE2 LYS 94 lone 0 94 - 0 - HG LEU 64 - HE3 LYS 49 lone 0 90 - 0 - HG LEU 64 - HE2 LYS 49 lone 0 90 - 0 - HB2 ARG 30 - HE3 LYS 123 lone 0 96 - 0 - HG LEU 64 - HE2 LYS 123 lone 0 89 - 0 - HB ILE 5 - HE2 LYS 123 lone 0 96 - 0 - HG LEU 64 - HE3 LYS 123 lone 0 82 - 0 - HB ILE 5 - HE3 LYS 123 lone 0 90 - 0 - Peak 4185 from cnoeabs.peaks (1.65, 3.02, 41.78 ppm; 2.73 A): 4 out of 60 assignments used, quality = 1.00: HD3 LYS 49 + HE2 LYS 49 OK 85 100 - 85 - 3.0=77, 3.0/4183=4...(22) * HD3 LYS 49 + HE3 LYS 49 OK 85 100 - 85 - 3.0=77, 3.0/4183=4...(22) HD2 LYS 49 + HE2 LYS 49 OK 85 100 - 85 - 3.0=77, 3.0/4183=4...(22) HD2 LYS 49 + HE3 LYS 49 OK 85 100 - 85 - 3.0=77, 3.0/4183=4...(22) HD2 LYS 65 - HE2 LYS 123 lone 4 100 - 4 - HD3 LYS 65 - HE2 LYS 123 lone 4 100 - 4 - HD2 LYS 65 - HE3 LYS 123 lone 4 96 - 4 - HD3 LYS 65 - HE3 LYS 123 lone 4 95 - 4 - HG LEU 90 - HE2 LYS 94 lone 4 77 - 5 - 10096/6.9=1 HD3 LYS 65 - HE2 LYS 94 lone 3 98 - 3 - HD2 LYS 65 - HE2 LYS 94 lone 3 99 - 3 - HD2 LYS 49 - HE2 LYS 123 lone 2 100 - 2 - HD3 LYS 49 - HE2 LYS 123 lone 2 100 - 2 - HD3 LYS 49 - HE3 LYS 123 lone 2 96 - 2 - HD2 LYS 49 - HE3 LYS 123 lone 2 96 - 2 - HD2 LYS 115 - HE2 LYS 123 lone 2 99 - 2 - HD3 LYS 115 - HE2 LYS 123 lone 2 98 - 2 - HD2 LYS 115 - HE3 LYS 123 lone 2 95 - 2 - HD3 LYS 115 - HE3 LYS 123 lone 2 92 - 2 - HD2 LYS 115 - HE2 LYS 94 lone 1 98 - 1 - HD2 LYS 65 - HE2 LYS 49 lone 1 100 - 1 - HD2 LYS 65 - HE3 LYS 49 lone 1 100 - 1 - HD3 LYS 65 - HE2 LYS 49 lone 1 100 - 1 - HD3 LYS 65 - HE3 LYS 49 lone 1 100 - 1 - HD3 LYS 115 - HE2 LYS 94 lone 1 96 - 1 - HD2 LYS 115 - HE2 LYS 49 lone 1 100 - 1 - HD2 LYS 115 - HE3 LYS 49 lone 1 100 - 1 - HD3 LYS 115 - HE3 LYS 49 lone 1 98 - 1 - HD3 LYS 115 - HE2 LYS 49 lone 1 98 - 1 - HG LEU 114 - HE2 LYS 94 lone 1 98 - 1 - HG LEU 64 - HE2 LYS 94 lone 1 86 - 1 - HD3 LYS 49 - HE2 LYS 94 lone 0 99 - 0 - HD2 LYS 49 - HE2 LYS 94 lone 0 99 - 0 - HB2 GLU 52 - HE2 LYS 49 lone 0 100 - 0 - HB2 GLU 52 - HE3 LYS 49 lone 0 100 - 0 - HB2 GLU 52 - HE2 LYS 123 lone 0 99 - 0 - HB2 GLU 52 - HE3 LYS 123 lone 0 95 - 0 - HB2 ARG 30 - HE2 LYS 49 lone 0 100 - 0 - HB2 ARG 30 - HE3 LYS 49 lone 0 100 - 0 - HG LEU 114 - HE2 LYS 123 lone 0 100 - 0 - HB ILE 5 - HE2 LYS 49 lone 0 97 - 0 - HB ILE 5 - HE3 LYS 49 lone 0 97 - 0 - HG LEU 114 - HE3 LYS 123 lone 0 95 - 0 - HG LEU 90 - HE2 LYS 49 lone 0 81 - 0 - HG LEU 90 - HE3 LYS 49 lone 0 81 - 0 - HB2 GLU 52 - HE2 LYS 94 lone 0 98 - 0 - HG LEU 114 - HE3 LYS 49 lone 0 100 - 0 - HG LEU 114 - HE2 LYS 49 lone 0 100 - 0 - HG LEU 90 - HE2 LYS 123 lone 0 80 - 0 - HB2 ARG 30 - HE2 LYS 94 lone 0 99 - 0 - HB2 ARG 30 - HE2 LYS 123 lone 0 100 - 0 - HG LEU 90 - HE3 LYS 123 lone 0 73 - 0 - HB ILE 5 - HE2 LYS 94 lone 0 94 - 0 - HG LEU 64 - HE3 LYS 49 lone 0 90 - 0 - HG LEU 64 - HE2 LYS 49 lone 0 90 - 0 - HB2 ARG 30 - HE3 LYS 123 lone 0 96 - 0 - HG LEU 64 - HE2 LYS 123 lone 0 89 - 0 - HB ILE 5 - HE2 LYS 123 lone 0 96 - 0 - HG LEU 64 - HE3 LYS 123 lone 0 82 - 0 - HB ILE 5 - HE3 LYS 123 lone 0 90 - 0 - Peak 4186 from cnoeabs.peaks (3.02, 3.02, 41.78 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HE3 LYS 49 + HE3 LYS 49 OK 100 100 - 100 HE2 LYS 49 + HE2 LYS 49 OK 100 100 - 100 HE2 LYS 123 + HE2 LYS 123 OK 100 100 - 100 HE2 LYS 94 + HE2 LYS 94 OK 97 97 - 100 HE3 LYS 123 + HE3 LYS 123 OK 92 92 - 100 Reference assignment not found: HE2 LYS 49 - HE3 LYS 49 Peak 4187 from cnoeabs.peaks (3.02, 3.02, 41.78 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HE3 LYS 49 + HE3 LYS 49 OK 100 100 - 100 HE2 LYS 49 + HE2 LYS 49 OK 100 100 - 100 HE2 LYS 123 + HE2 LYS 123 OK 100 100 - 100 HE2 LYS 94 + HE2 LYS 94 OK 97 97 - 100 HE3 LYS 123 + HE3 LYS 123 OK 92 92 - 100 Peak 4188 from cnoeabs.peaks (8.72, 4.62, 53.55 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 50 + HA ASN 50 OK 100 100 - 100 - 2.9=100 Peak 4189 from cnoeabs.peaks (4.62, 4.62, 53.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 50 + HA ASN 50 OK 100 100 - 100 Peak 4190 from cnoeabs.peaks (2.71, 4.62, 53.55 ppm; 3.17 A): 2 out of 2 assignments used, quality = 1.00: * HB2 ASN 50 + HA ASN 50 OK 100 100 - 100 - 3.0=100 HB3 ASN 50 + HA ASN 50 OK 100 100 - 100 - 3.0=100 Peak 4191 from cnoeabs.peaks (2.71, 4.62, 53.55 ppm; 3.17 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ASN 50 + HA ASN 50 OK 100 100 - 100 - 3.0=100 HB2 ASN 50 + HA ASN 50 OK 100 100 - 100 - 3.0=100 Peak 4195 from cnoeabs.peaks (4.62, 2.71, 39.04 ppm; 4.05 A): 2 out of 2 assignments used, quality = 1.00: * HA ASN 50 + HB2 ASN 50 OK 100 100 - 100 - 3.0=100 HA ASN 50 + HB3 ASN 50 OK 100 100 - 100 - 3.0=100 Peak 4196 from cnoeabs.peaks (2.71, 2.71, 39.04 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 ASN 50 + HB2 ASN 50 OK 100 100 - 100 HB3 ASN 50 + HB3 ASN 50 OK 100 100 - 100 Peak 4197 from cnoeabs.peaks (2.71, 2.71, 39.04 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 ASN 50 + HB2 ASN 50 OK 100 100 - 100 HB3 ASN 50 + HB3 ASN 50 OK 100 100 - 100 Reference assignment not found: HB3 ASN 50 - HB2 ASN 50 Peak 4198 from cnoeabs.peaks (7.63, 2.71, 39.04 ppm; 4.52 A): 2 out of 2 assignments used, quality = 1.00: * HD21 ASN 50 + HB2 ASN 50 OK 100 100 - 100 - 3.5=100 HD21 ASN 50 + HB3 ASN 50 OK 100 100 - 100 - 3.5=100 Peak 4199 from cnoeabs.peaks (6.88, 2.71, 39.04 ppm; 5.49 A): 2 out of 2 assignments used, quality = 1.00: * HD22 ASN 50 + HB2 ASN 50 OK 100 100 - 100 - 3.5=100 HD22 ASN 50 + HB3 ASN 50 OK 100 100 - 100 - 3.5=100 Peak 4201 from cnoeabs.peaks (4.62, 2.71, 39.04 ppm; 4.05 A): 2 out of 2 assignments used, quality = 1.00: * HA ASN 50 + HB3 ASN 50 OK 100 100 - 100 - 3.0=100 HA ASN 50 + HB2 ASN 50 OK 100 100 - 100 - 3.0=100 Peak 4202 from cnoeabs.peaks (2.71, 2.71, 39.04 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 ASN 50 + HB3 ASN 50 OK 100 100 - 100 HB2 ASN 50 + HB2 ASN 50 OK 100 100 - 100 Reference assignment not found: HB2 ASN 50 - HB3 ASN 50 Peak 4203 from cnoeabs.peaks (2.71, 2.71, 39.04 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 ASN 50 + HB3 ASN 50 OK 100 100 - 100 HB2 ASN 50 + HB2 ASN 50 OK 100 100 - 100 Peak 4204 from cnoeabs.peaks (7.63, 2.71, 39.04 ppm; 4.52 A): 2 out of 2 assignments used, quality = 1.00: * HD21 ASN 50 + HB3 ASN 50 OK 100 100 - 100 - 3.5=100 HD21 ASN 50 + HB2 ASN 50 OK 100 100 - 100 - 3.5=100 Peak 4205 from cnoeabs.peaks (6.88, 2.71, 39.04 ppm; 5.49 A): 2 out of 2 assignments used, quality = 1.00: * HD22 ASN 50 + HB3 ASN 50 OK 100 100 - 100 - 3.5=100 HD22 ASN 50 + HB2 ASN 50 OK 100 100 - 100 - 3.5=100 Peak 4206 from cnoeabs.peaks (8.34, 4.76, 57.94 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 51 + HA PHE 51 OK 100 100 - 100 - 2.9=100 Peak 4207 from cnoeabs.peaks (4.76, 4.76, 57.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 51 + HA PHE 51 OK 100 100 - 100 Peak 4208 from cnoeabs.peaks (3.03, 4.76, 57.94 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 51 + HA PHE 51 OK 100 100 - 100 - 3.0=100 Peak 4209 from cnoeabs.peaks (2.97, 4.76, 57.94 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 51 + HA PHE 51 OK 100 100 - 100 - 3.0=100 Peak 4214 from cnoeabs.peaks (8.34, 3.03, 38.98 ppm; 4.83 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 51 + HB2 PHE 51 OK 100 100 - 100 - 4.0=100 Peak 4215 from cnoeabs.peaks (4.76, 3.03, 38.98 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 51 + HB2 PHE 51 OK 100 100 - 100 - 3.0=100 Peak 4216 from cnoeabs.peaks (3.03, 3.03, 38.98 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 PHE 51 + HB2 PHE 51 OK 100 100 - 100 HB3 PHE 93 + HB3 PHE 93 OK 77 77 - 100 Peak 4217 from cnoeabs.peaks (2.97, 3.03, 38.98 ppm; 2.96 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 51 + HB2 PHE 51 OK 100 100 - 100 - 1.8=100 Peak 4221 from cnoeabs.peaks (7.12, 3.03, 38.98 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 51 + HB2 PHE 51 OK 100 100 - 100 - 2.4=100 Peak 4222 from cnoeabs.peaks (8.34, 2.97, 38.98 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 51 + HB3 PHE 51 OK 100 100 - 100 - 4.0=100 Peak 4223 from cnoeabs.peaks (4.76, 2.97, 38.98 ppm; 4.92 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 51 + HB3 PHE 51 OK 100 100 - 100 - 3.0=100 Peak 4224 from cnoeabs.peaks (3.03, 2.97, 38.98 ppm; 3.29 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 51 + HB3 PHE 51 OK 100 100 - 100 - 1.8=100 Peak 4225 from cnoeabs.peaks (2.97, 2.97, 38.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 51 + HB3 PHE 51 OK 100 100 - 100 Peak 4229 from cnoeabs.peaks (7.12, 2.97, 38.98 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 51 + HB3 PHE 51 OK 100 100 - 100 - 2.4=100 Peak 4247 from cnoeabs.peaks (4.76, 7.12, 131.84 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.97: * HA PHE 51 + QD PHE 51 OK 97 97 - 100 - 3.7=100 Peak 4248 from cnoeabs.peaks (3.03, 7.12, 131.84 ppm; 5.21 A): 1 out of 1 assignment used, quality = 0.97: * HB2 PHE 51 + QD PHE 51 OK 97 97 - 100 - 2.4=100 Peak 4249 from cnoeabs.peaks (2.97, 7.12, 131.84 ppm; 5.83 A): 1 out of 1 assignment used, quality = 0.97: * HB3 PHE 51 + QD PHE 51 OK 97 97 - 100 - 2.4=100 Peak 4253 from cnoeabs.peaks (7.12, 7.12, 131.84 ppm; diagonal): 1 out of 1 assignment used, quality = 0.97: * QD PHE 51 + QD PHE 51 OK 97 97 - 100 Peak 4254 from cnoeabs.peaks (4.26, 4.26, 56.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 52 + HA GLU 52 OK 100 100 - 100 Peak 4255 from cnoeabs.peaks (1.66, 4.26, 56.25 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 52 + HA GLU 52 OK 100 100 - 100 - 3.0=100 Peak 4256 from cnoeabs.peaks (1.95, 4.26, 56.25 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 52 + HA GLU 52 OK 100 100 - 100 - 3.0=100 Peak 4257 from cnoeabs.peaks (2.10, 4.26, 56.25 ppm; 3.95 A): 1 out of 18 assignments used, quality = 0.99: * HG2 GLU 52 + HA GLU 52 OK 99 100 - 99 - 4.0=99, 1.8/4258=35, 4.9/309=20 HB3 GLU 47 - HA GLU 52 lone 1 92 - 1 - HB2 GLU 87 - HA GLU 52 lone 1 98 - 1 - HB3 GLU 66 - HA GLU 52 lone 1 97 - 1 - HB3 GLU 92 - HA GLU 52 lone 1 97 - 1 - HB2 GLU 111 - HA GLU 52 lone 1 100 - 1 - HG3 GLU 21 - HA GLU 52 lone 0 99 - 0 - HG2 GLU 21 - HA GLU 52 lone 0 98 - 0 - HB2 LEU 38 - HA GLU 52 lone 0 81 - 1 - HB2 GLU 112 - HA GLU 52 lone 0 73 - 1 - HB3 GLU 69 - HA GLU 52 lone 0 90 - 0 - HB3 GLU 112 - HA GLU 52 lone 0 70 - 1 - HB3 GLU 119 - HA GLU 52 lone 0 81 - 1 - HB2 GLU 103 - HA GLU 52 lone 0 84 - 0 - HB VAL 107 - HA GLU 52 lone 0 73 - 0 - HB2 GLU 21 - HA GLU 52 lone 0 73 - 0 - HB2 GLU 119 - HA GLU 52 lone 0 70 - 1 - HG3 GLN 83 - HA GLU 52 lone 0 70 - 0 - Peak 4258 from cnoeabs.peaks (2.04, 4.26, 56.25 ppm; 3.81 A): 1 out of 16 assignments used, quality = 0.94: * HG3 GLU 52 + HA GLU 52 OK 94 100 - 94 - 4.0=89, 1.8/4257=32, 4.9/309=18 HB2 GLU 47 - HA GLU 52 lone 1 87 - 1 - HB3 GLU 87 - HA GLU 52 lone 1 99 - 1 - HB3 MET 67 - HA GLU 52 lone 1 99 - 1 - HB2 GLU 66 - HA GLU 52 lone 1 99 - 1 - HB2 GLU 92 - HA GLU 52 lone 1 94 - 1 - HB VAL 117 - HA GLU 52 lone 1 100 - 1 - HB3 GLN 100 - HA GLU 52 lone 1 99 - 1 - HB3 GLN 85 - HA GLU 52 lone 1 99 - 1 - HB3 GLU 89 - HA GLU 52 lone 1 99 - 1 - HB2 GLU 89 - HA GLU 52 lone 1 99 - 1 - HB3 GLU 98 - HA GLU 52 lone 1 94 - 1 - HB3 GLU 48 - HA GLU 52 lone 1 99 - 1 - HB2 GLU 48 - HA GLU 52 lone 1 99 - 1 - HB2 GLN 28 - HA GLU 52 lone 1 65 - 1 - HB2 MET 1 - HA GLU 52 lone 0 81 - 1 - Peak 4259 from cnoeabs.peaks (4.26, 1.66, 33.46 ppm; 4.92 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 52 + HB2 GLU 52 OK 100 100 - 100 - 3.0=100 Peak 4260 from cnoeabs.peaks (1.66, 1.66, 33.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 52 + HB2 GLU 52 OK 100 100 - 100 Peak 4261 from cnoeabs.peaks (1.95, 1.66, 33.46 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 52 + HB2 GLU 52 OK 100 100 - 100 - 1.8=100 Peak 4262 from cnoeabs.peaks (2.10, 1.66, 33.46 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 52 + HB2 GLU 52 OK 100 100 - 100 - 3.0=100 Peak 4263 from cnoeabs.peaks (2.04, 1.66, 33.46 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 52 + HB2 GLU 52 OK 100 100 - 100 - 3.0=100 Peak 4264 from cnoeabs.peaks (4.26, 1.95, 33.46 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 52 + HB3 GLU 52 OK 100 100 - 100 - 3.0=100 Peak 4265 from cnoeabs.peaks (1.66, 1.95, 33.46 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 52 + HB3 GLU 52 OK 100 100 - 100 - 1.8=100 Peak 4266 from cnoeabs.peaks (1.95, 1.95, 33.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 52 + HB3 GLU 52 OK 100 100 - 100 Peak 4267 from cnoeabs.peaks (2.10, 1.95, 33.46 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 52 + HB3 GLU 52 OK 100 100 - 100 - 3.0=100 Peak 4268 from cnoeabs.peaks (2.04, 1.95, 33.46 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 52 + HB3 GLU 52 OK 100 100 - 100 - 3.0=100 Peak 4269 from cnoeabs.peaks (4.26, 2.10, 36.67 ppm; 4.77 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 52 + HG2 GLU 52 OK 100 100 - 100 - 4.0=100 Peak 4270 from cnoeabs.peaks (1.66, 2.10, 36.67 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 52 + HG2 GLU 52 OK 100 100 - 100 - 3.0=100 Peak 4271 from cnoeabs.peaks (1.95, 2.10, 36.67 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 52 + HG2 GLU 52 OK 100 100 - 100 - 3.0=100 Peak 4272 from cnoeabs.peaks (2.10, 2.10, 36.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 52 + HG2 GLU 52 OK 100 100 - 100 Peak 4273 from cnoeabs.peaks (2.04, 2.10, 36.67 ppm; 2.78 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 52 + HG2 GLU 52 OK 100 100 - 100 - 1.8=100 Peak 4274 from cnoeabs.peaks (4.26, 2.04, 36.67 ppm; 4.84 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 52 + HG3 GLU 52 OK 100 100 - 100 - 4.0=100 Peak 4275 from cnoeabs.peaks (1.66, 2.04, 36.67 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 52 + HG3 GLU 52 OK 100 100 - 100 - 3.0=100 Peak 4276 from cnoeabs.peaks (1.95, 2.04, 36.67 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 52 + HG3 GLU 52 OK 100 100 - 100 - 3.0=100 Peak 4277 from cnoeabs.peaks (2.10, 2.04, 36.67 ppm; 2.70 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 52 + HG3 GLU 52 OK 100 100 - 100 - 1.8=100 Peak 4278 from cnoeabs.peaks (2.04, 2.04, 36.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 52 + HG3 GLU 52 OK 100 100 - 100 Peak 4280 from cnoeabs.peaks (4.69, 4.69, 55.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 53 + HA LYS 53 OK 100 100 - 100 Peak 4284 from cnoeabs.peaks (0.94, 4.69, 55.36 ppm; 5.78 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 53 + HA LYS 53 OK 100 100 - 100 - 4.1=100 Peak 4290 from cnoeabs.peaks (4.69, 0.11, 31.45 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 53 + HB2 LYS 53 OK 100 100 - 100 - 3.0=100 Peak 4291 from cnoeabs.peaks (0.11, 0.11, 31.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 53 + HB2 LYS 53 OK 100 100 - 100 Peak 4292 from cnoeabs.peaks (1.13, 0.11, 31.45 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 53 + HB2 LYS 53 OK 100 100 - 100 - 1.8=100 Peak 4293 from cnoeabs.peaks (1.09, 0.11, 31.45 ppm; 4.73 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 53 + HB2 LYS 53 OK 100 100 - 100 - 2.8=100 Peak 4294 from cnoeabs.peaks (0.94, 0.11, 31.45 ppm; 5.20 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 53 + HB2 LYS 53 OK 100 100 - 100 - 2.8=100 Peak 4296 from cnoeabs.peaks (1.27, 0.11, 31.45 ppm; 6.10 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 53 + HB2 LYS 53 OK 100 100 - 100 - 3.7=100 Peak 4299 from cnoeabs.peaks (7.96, 1.13, 31.45 ppm; 5.39 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 53 + HB3 LYS 53 OK 100 100 - 100 - 4.0=100 Peak 4300 from cnoeabs.peaks (4.69, 1.13, 31.45 ppm; 5.37 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 53 + HB3 LYS 53 OK 100 100 - 100 - 3.0=100 Peak 4301 from cnoeabs.peaks (0.11, 1.13, 31.45 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 53 + HB3 LYS 53 OK 100 100 - 100 - 1.8=100 Peak 4302 from cnoeabs.peaks (1.13, 1.13, 31.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 53 + HB3 LYS 53 OK 100 100 - 100 Peak 4303 from cnoeabs.peaks (1.09, 1.13, 31.45 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 53 + HB3 LYS 53 OK 100 100 - 100 - 2.8=100 Peak 4304 from cnoeabs.peaks (0.94, 1.13, 31.45 ppm; 4.44 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 53 + HB3 LYS 53 OK 100 100 - 100 - 2.8=100 Peak 4305 from cnoeabs.peaks (1.48, 1.13, 31.45 ppm; 5.57 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 53 + HB3 LYS 53 OK 100 100 - 100 - 3.7=100 Peak 4306 from cnoeabs.peaks (1.27, 1.13, 31.45 ppm; 4.94 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 53 + HB3 LYS 53 OK 100 100 - 100 - 3.7=100 Peak 4307 from cnoeabs.peaks (2.63, 1.13, 31.45 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 53 + HB3 LYS 53 OK 100 100 - 100 - 4.7=100 Peak 4309 from cnoeabs.peaks (7.96, 1.09, 24.59 ppm; 5.25 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 53 + HG2 LYS 53 OK 100 100 - 100 - 4.7=100 Peak 4310 from cnoeabs.peaks (4.69, 1.09, 24.59 ppm; 6.16 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 53 + HG2 LYS 53 OK 100 100 - 100 - 4.1=100 Peak 4311 from cnoeabs.peaks (0.11, 1.09, 24.59 ppm; 5.65 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 53 + HG2 LYS 53 OK 100 100 - 100 - 2.8=100 Peak 4312 from cnoeabs.peaks (1.13, 1.09, 24.59 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 53 + HG2 LYS 53 OK 100 100 - 100 - 2.8=100 Peak 4313 from cnoeabs.peaks (1.09, 1.09, 24.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 53 + HG2 LYS 53 OK 100 100 - 100 Peak 4314 from cnoeabs.peaks (0.94, 1.09, 24.59 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 53 + HG2 LYS 53 OK 100 100 - 100 - 1.8=100 Peak 4315 from cnoeabs.peaks (1.48, 1.09, 24.59 ppm; 4.66 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 53 + HG2 LYS 53 OK 100 100 - 100 - 3.0=100 Peak 4316 from cnoeabs.peaks (1.27, 1.09, 24.59 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 53 + HG2 LYS 53 OK 100 100 - 100 - 3.0=100 Peak 4317 from cnoeabs.peaks (2.63, 1.09, 24.59 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 53 + HG2 LYS 53 OK 100 100 - 100 - 3.6=100 Peak 4318 from cnoeabs.peaks (2.72, 1.09, 24.59 ppm; 5.68 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 53 + HG2 LYS 53 OK 100 100 - 100 - 3.6=100 Peak 4319 from cnoeabs.peaks (7.96, 0.94, 24.59 ppm; 5.57 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 53 + HG3 LYS 53 OK 100 100 - 100 - 4.7=100 Peak 4322 from cnoeabs.peaks (1.13, 0.94, 24.59 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 53 + HG3 LYS 53 OK 100 100 - 100 - 2.8=100 Peak 4323 from cnoeabs.peaks (1.09, 0.94, 24.59 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 53 + HG3 LYS 53 OK 100 100 - 100 - 1.8=100 Peak 4324 from cnoeabs.peaks (0.94, 0.94, 24.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 53 + HG3 LYS 53 OK 100 100 - 100 Peak 4325 from cnoeabs.peaks (1.48, 0.94, 24.59 ppm; 4.29 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 53 + HG3 LYS 53 OK 100 100 - 100 - 3.0=100 Peak 4326 from cnoeabs.peaks (1.27, 0.94, 24.59 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 53 + HG3 LYS 53 OK 100 100 - 100 - 3.0=100 Peak 4327 from cnoeabs.peaks (2.63, 0.94, 24.59 ppm; 4.89 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 53 + HG3 LYS 53 OK 100 100 - 100 - 3.6=100 Peak 4328 from cnoeabs.peaks (2.72, 0.94, 24.59 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 53 + HG3 LYS 53 OK 100 100 - 100 - 3.6=100 Peak 4331 from cnoeabs.peaks (0.11, 1.48, 28.78 ppm; 5.48 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 53 + HD2 LYS 53 OK 100 100 - 100 - 3.7=100 Peak 4332 from cnoeabs.peaks (1.13, 1.48, 28.78 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 53 + HD2 LYS 53 OK 100 100 - 100 - 3.7=100 Peak 4333 from cnoeabs.peaks (1.09, 1.48, 28.78 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 53 + HD2 LYS 53 OK 100 100 - 100 - 3.0=100 Peak 4334 from cnoeabs.peaks (0.94, 1.48, 28.78 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 53 + HD2 LYS 53 OK 100 100 - 100 - 3.0=100 Peak 4335 from cnoeabs.peaks (1.48, 1.48, 28.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 53 + HD2 LYS 53 OK 100 100 - 100 Peak 4336 from cnoeabs.peaks (1.27, 1.48, 28.78 ppm; 3.02 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 53 + HD2 LYS 53 OK 100 100 - 100 - 1.8=100 Peak 4337 from cnoeabs.peaks (2.63, 1.48, 28.78 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 53 + HD2 LYS 53 OK 100 100 - 100 - 3.0=100 Peak 4338 from cnoeabs.peaks (2.72, 1.48, 28.78 ppm; 4.65 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 53 + HD2 LYS 53 OK 100 100 - 100 - 3.0=100 Peak 4341 from cnoeabs.peaks (0.11, 1.27, 28.78 ppm; 5.19 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 53 + HD3 LYS 53 OK 100 100 - 100 - 3.7=100 Peak 4342 from cnoeabs.peaks (1.13, 1.27, 28.78 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 53 + HD3 LYS 53 OK 100 100 - 100 - 3.7=100 Peak 4343 from cnoeabs.peaks (1.09, 1.27, 28.78 ppm; 3.39 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 53 + HD3 LYS 53 OK 100 100 - 100 - 3.0=100 HG2 LYS 2 + HD2 LYS 2 OK 52 52 - 100 - 2.9=100 Peak 4344 from cnoeabs.peaks (0.94, 1.27, 28.78 ppm; 3.25 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 53 + HD3 LYS 53 OK 100 100 - 100 - 3.0=100 Peak 4345 from cnoeabs.peaks (1.48, 1.27, 28.78 ppm; 3.02 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 53 + HD3 LYS 53 OK 100 100 - 100 - 1.8=100 Peak 4346 from cnoeabs.peaks (1.27, 1.27, 28.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 53 + HD3 LYS 53 OK 100 100 - 100 HD2 LYS 2 + HD2 LYS 2 OK 88 88 - 100 Peak 4347 from cnoeabs.peaks (2.63, 1.27, 28.78 ppm; 4.50 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 53 + HD3 LYS 53 OK 100 100 - 100 - 3.0=100 Peak 4348 from cnoeabs.peaks (2.72, 1.27, 28.78 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 53 + HD3 LYS 53 OK 100 100 - 100 - 3.0=100 Peak 4352 from cnoeabs.peaks (1.13, 2.63, 41.70 ppm; 4.88 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 53 + HE2 LYS 53 OK 100 100 - 100 - 4.7=100 Peak 4353 from cnoeabs.peaks (1.09, 2.63, 41.70 ppm; 4.91 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 53 + HE2 LYS 53 OK 100 100 - 100 - 3.6=100 Peak 4354 from cnoeabs.peaks (0.94, 2.63, 41.70 ppm; 5.41 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 53 + HE2 LYS 53 OK 100 100 - 100 - 3.6=100 Peak 4355 from cnoeabs.peaks (1.48, 2.63, 41.70 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 53 + HE2 LYS 53 OK 100 100 - 100 - 3.0=100 Peak 4356 from cnoeabs.peaks (1.27, 2.63, 41.70 ppm; 4.84 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 53 + HE2 LYS 53 OK 100 100 - 100 - 3.0=100 Peak 4357 from cnoeabs.peaks (2.63, 2.63, 41.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 53 + HE2 LYS 53 OK 100 100 - 100 Peak 4358 from cnoeabs.peaks (2.72, 2.63, 41.70 ppm; 2.75 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 53 + HE2 LYS 53 OK 100 100 - 100 - 1.8=100 Peak 4361 from cnoeabs.peaks (0.11, 2.72, 41.70 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 53 + HE3 LYS 53 OK 100 100 - 100 - 4.7=100 Peak 4362 from cnoeabs.peaks (1.13, 2.72, 41.70 ppm; 4.13 A): 1 out of 1 assignment used, quality = 0.70: * HB3 LYS 53 + HE3 LYS 53 OK 70 100 - 70 - 4.7=67, 1341/7.0=10 Peak 4363 from cnoeabs.peaks (1.09, 2.72, 41.70 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 53 + HE3 LYS 53 OK 100 100 - 100 - 3.6=100 Peak 4364 from cnoeabs.peaks (0.94, 2.72, 41.70 ppm; 4.75 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 53 + HE3 LYS 53 OK 100 100 - 100 - 3.6=100 Peak 4365 from cnoeabs.peaks (1.48, 2.72, 41.70 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 53 + HE3 LYS 53 OK 100 100 - 100 - 3.0=100 Peak 4366 from cnoeabs.peaks (1.27, 2.72, 41.70 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 53 + HE3 LYS 53 OK 100 100 - 100 - 3.0=100 Peak 4367 from cnoeabs.peaks (2.63, 2.72, 41.70 ppm; 2.57 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 53 + HE3 LYS 53 OK 100 100 - 100 - 1.8=100 Peak 4368 from cnoeabs.peaks (2.72, 2.72, 41.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 53 + HE3 LYS 53 OK 100 100 - 100 Peak 4370 from cnoeabs.peaks (4.85, 4.85, 59.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 54 + HA ILE 54 OK 100 100 - 100 Peak 4371 from cnoeabs.peaks (1.68, 4.85, 59.26 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 54 + HA ILE 54 OK 100 100 - 100 - 3.0=100 Peak 4372 from cnoeabs.peaks (0.75, 4.85, 59.26 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 54 + HA ILE 54 OK 100 100 - 100 - 3.2=100 Peak 4373 from cnoeabs.peaks (1.25, 4.85, 59.26 ppm; 4.53 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 54 + HA ILE 54 OK 100 100 - 100 - 4.1=100 Peak 4374 from cnoeabs.peaks (0.91, 4.85, 59.26 ppm; 4.65 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 54 + HA ILE 54 OK 100 100 - 100 - 4.1=100 Peak 4375 from cnoeabs.peaks (0.64, 4.85, 59.26 ppm; 6.07 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 54 + HA ILE 54 OK 100 100 - 100 - 4.2=100 Peak 4376 from cnoeabs.peaks (8.80, 1.68, 41.95 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 54 + HB ILE 54 OK 100 100 - 100 - 3.9=100 Peak 4377 from cnoeabs.peaks (4.85, 1.68, 41.95 ppm; 4.74 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 54 + HB ILE 54 OK 100 100 - 100 - 3.0=100 Peak 4378 from cnoeabs.peaks (1.68, 1.68, 41.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 54 + HB ILE 54 OK 100 100 - 100 Peak 4379 from cnoeabs.peaks (0.75, 1.68, 41.95 ppm; 3.32 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 54 + HB ILE 54 OK 100 100 - 100 - 2.1=100 Peak 4380 from cnoeabs.peaks (1.25, 1.68, 41.95 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 54 + HB ILE 54 OK 100 100 - 100 - 3.0=100 Peak 4381 from cnoeabs.peaks (0.91, 1.68, 41.95 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 54 + HB ILE 54 OK 100 100 - 100 - 3.0=100 Peak 4382 from cnoeabs.peaks (0.64, 1.68, 41.95 ppm; 3.32 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 54 + HB ILE 54 OK 100 100 - 100 - 3.2=100 Peak 4383 from cnoeabs.peaks (8.80, 0.75, 17.84 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 54 + QG2 ILE 54 OK 100 100 - 100 - 4.0=100 Peak 4384 from cnoeabs.peaks (4.85, 0.75, 17.84 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 54 + QG2 ILE 54 OK 100 100 - 100 - 3.2=100 Peak 4385 from cnoeabs.peaks (1.68, 0.75, 17.84 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 54 + QG2 ILE 54 OK 100 100 - 100 - 2.1=100 Peak 4386 from cnoeabs.peaks (0.75, 0.75, 17.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 54 + QG2 ILE 54 OK 100 100 - 100 Peak 4387 from cnoeabs.peaks (1.25, 0.75, 17.84 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 54 + QG2 ILE 54 OK 100 100 - 100 - 3.2=100 Peak 4388 from cnoeabs.peaks (0.91, 0.75, 17.84 ppm; 3.47 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 54 + QG2 ILE 54 OK 100 100 - 100 - 3.2=100 Peak 4389 from cnoeabs.peaks (0.64, 0.75, 17.84 ppm; 2.71 A): 3 out of 6 assignments used, quality = 0.91: * QD1 ILE 54 + QG2 ILE 54 OK 83 100 - 83 - 3.1=66, 2.1/4393=20...(11) QD1 LEU 4 + QG2 ILE 54 OK 39 97 - 40 - 10735/2.1=8, 11235/3.2=7...(13) QD1 ILE 5 + QG2 ILE 54 OK 11 90 - 13 - 4407=3, 7568/4.4=2...(5) QG1 VAL 22 - QG2 ILE 54 lone 3 100 - 3 - 330/4.4=1 HG13 ILE 15 - QG2 ILE 54 lone 2 100 - 2 - QD1 ILE 71 - QG2 ILE 54 lone 1 61 - 1 - Peak 4390 from cnoeabs.peaks (8.80, 1.25, 27.42 ppm; 5.13 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 54 + HG12 ILE 54 OK 100 100 - 100 - 4.6=100 Peak 4391 from cnoeabs.peaks (4.85, 1.25, 27.42 ppm; 4.64 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 54 + HG12 ILE 54 OK 100 100 - 100 - 4.1=100 Peak 4392 from cnoeabs.peaks (1.68, 1.25, 27.42 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 54 + HG12 ILE 54 OK 100 100 - 100 - 3.0=100 Peak 4393 from cnoeabs.peaks (0.75, 1.25, 27.42 ppm; 3.09 A): 1 out of 11 assignments used, quality = 0.95: * QG2 ILE 54 + HG12 ILE 54 OK 95 100 - 95 - 3.2=91, 4389/2.1=21...(10) QD2 LEU 55 - HG12 ILE 54 lone 6 92 - 6 - 2.1/11557=3, 4407/2.1=2 QD2 LEU 14 - HG12 ILE 54 lone 5 70 - 7 - ~11652=1, ~11651=1...(4) QG2 ILE 7 - HG12 ILE 54 lone 4 100 - 4 - QD2 LEU 6 - HG12 ILE 54 lone 2 90 - 3 - QD1 ILE 15 - HG12 ILE 54 lone 1 65 - 2 - QD1 LEU 63 - HG12 ILE 54 lone 1 99 - 1 - QD1 LEU 45 - HG12 ILE 54 lone 1 96 - 1 - HG13 ILE 18 - HG12 ILE 54 lone 1 70 - 1 - QG1 VAL 107 - HG12 ILE 54 lone 0 70 - 1 - QG2 VAL 32 - HG12 ILE 54 lone 0 70 - 0 - Peak 4394 from cnoeabs.peaks (1.25, 1.25, 27.42 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 54 + HG12 ILE 54 OK 100 100 - 100 Peak 4395 from cnoeabs.peaks (0.91, 1.25, 27.42 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 54 + HG12 ILE 54 OK 100 100 - 100 - 1.8=100 Peak 4396 from cnoeabs.peaks (0.64, 1.25, 27.42 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 54 + HG12 ILE 54 OK 100 100 - 100 - 2.1=100 Peak 4398 from cnoeabs.peaks (4.85, 0.91, 27.42 ppm; 4.96 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 54 + HG13 ILE 54 OK 100 100 - 100 - 4.1=100 Peak 4399 from cnoeabs.peaks (1.68, 0.91, 27.42 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 54 + HG13 ILE 54 OK 100 100 - 100 - 3.0=100 Peak 4400 from cnoeabs.peaks (0.75, 0.91, 27.42 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 54 + HG13 ILE 54 OK 100 100 - 100 - 3.2=100 Peak 4401 from cnoeabs.peaks (1.25, 0.91, 27.42 ppm; 3.35 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 54 + HG13 ILE 54 OK 100 100 - 100 - 1.8=100 Peak 4402 from cnoeabs.peaks (0.91, 0.91, 27.42 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HG13 ILE 54 + HG13 ILE 54 OK 100 100 - 100 HG13 ILE 97 - HG13 ILE 97 OK 35 35 - 100 Peak 4403 from cnoeabs.peaks (0.64, 0.91, 27.42 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 54 + HG13 ILE 54 OK 100 100 - 100 - 2.1=100 Peak 4404 from cnoeabs.peaks (8.80, 0.64, 13.41 ppm; 4.05 A): 2 out of 10 assignments used, quality = 0.94: * H ILE 54 + QD1 ILE 54 OK 92 100 - 92 - 4.8=59, 1353/2.1=32...(10) H ILE 54 + QD1 ILE 5 OK 24 78 - 31 - 1354=7, 4.4/7568=6...(11) H ASN 59 - QD1 ILE 54 poor 10 92 - 11 - 3.0/9495=4, 9613/3.1=3, ~9488=3 H ILE 18 - QD1 ILE 5 poor 9 41 - 22 - 3.0/2906=3, ~9186=3...(10) H ASN 59 - QD1 ILE 5 lone 3 66 - 5 - 9612/3.0=1, 9612/2.1=1 H SER 58 - QD1 ILE 5 lone 2 74 - 3 - H ILE 18 - QD1 ILE 54 lone 2 61 - 2 - H LYS 106 - QD1 ILE 5 lone 1 77 - 2 - H LYS 106 - QD1 ILE 54 lone 1 100 - 1 - H SER 58 - QD1 ILE 54 lone 1 98 - 1 - Peak 4405 from cnoeabs.peaks (4.85, 0.64, 13.41 ppm; 3.91 A): 2 out of 6 assignments used, quality = 0.98: * HA ILE 54 + QD1 ILE 54 OK 96 100 - 96 - 4.2=83, 3.2/4389=22...(12) HA ILE 5 + QD1 ILE 5 OK 53 59 - 89 - 4.2=84, 3.2/2697=12...(6) HA ILE 54 - QD1 ILE 5 OK 18 78 - 23 - 3.6/7568=7, 3.0/4404=5...(6) HA ILE 5 - QD1 ILE 54 OK 12 84 - 14 - 3.0/13=4, ~10941=2...(6) HA ASP 60 - QD1 ILE 54 lone 2 70 - 2 - ~9649=1 HA ASP 60 - QD1 ILE 5 lone 0 47 - 1 - Peak 4406 from cnoeabs.peaks (1.68, 0.64, 13.41 ppm; 3.14 A): 1 out of 40 assignments used, quality = 0.96: * HB ILE 54 + QD1 ILE 54 OK 96 100 - 96 - 3.2=92, 2.1/4389=22...(9) HB ILE 56 - QD1 ILE 54 OK 16 97 - 17 - ~11708=6, ~9489=5...(5) HB ILE 54 - QD1 ILE 5 OK 10 78 - 13 - 4.4/7568=4, 2.1/4389=3...(4) HD2 LYS 17 - QD1 ILE 5 poor 9 78 - 11 - 11478/2.1=3, 11478/3.0=2...(4) HD3 LYS 20 - QD1 ILE 54 lone 2 99 - 2 - HD2 LYS 20 - QD1 ILE 54 lone 2 98 - 2 - HD2 LYS 17 - QD1 ILE 54 lone 2 100 - 2 - HD2 LYS 40 - QD1 ILE 54 lone 2 100 - 2 - HD3 LYS 40 - QD1 ILE 54 lone 2 100 - 2 - HB ILE 56 - QD1 ILE 5 lone 1 72 - 2 - HD2 LYS 16 - QD1 ILE 54 lone 1 99 - 1 - HD3 LYS 16 - QD1 ILE 54 lone 1 97 - 1 - HD3 LYS 20 - QD1 ILE 5 lone 1 75 - 1 - HD2 LYS 20 - QD1 ILE 5 lone 1 74 - 1 - HD2 LYS 96 - QD1 ILE 54 lone 1 100 - 1 - HD3 LYS 96 - QD1 ILE 54 lone 1 100 - 1 - HD2 LYS 40 - QD1 ILE 5 lone 1 78 - 1 - HD3 LYS 40 - QD1 ILE 5 lone 1 78 - 1 - HD3 LYS 73 - QD1 ILE 54 lone 1 100 - 1 - HD2 LYS 73 - QD1 ILE 54 lone 1 100 - 1 - HG12 ILE 71 - QD1 ILE 54 lone 1 87 - 1 - HD2 LYS 16 - QD1 ILE 5 lone 1 76 - 1 - HG3 LYS 39 - QD1 ILE 54 lone 1 70 - 1 - HD3 LYS 16 - QD1 ILE 5 lone 1 72 - 1 - HG3 LYS 123 - QD1 ILE 54 lone 1 70 - 1 - HD3 LYS 43 - QD1 ILE 54 lone 0 100 - 0 - HG3 LYS 123 - QD1 ILE 5 lone 1 47 - 1 - HD2 LYS 43 - QD1 ILE 54 lone 0 100 - 0 - HD3 LYS 73 - QD1 ILE 5 lone 0 78 - 1 - HD2 LYS 73 - QD1 ILE 5 lone 0 77 - 1 - HG3 ARG 95 - QD1 ILE 54 lone 0 98 - 0 - HG3 ARG 95 - QD1 ILE 5 lone 0 74 - 0 - HD2 LYS 44 - QD1 ILE 54 lone 0 61 - 1 - HG3 LYS 39 - QD1 ILE 5 lone 0 47 - 1 - HD3 LYS 96 - QD1 ILE 5 lone 0 78 - 0 - HD2 LYS 96 - QD1 ILE 5 lone 0 78 - 0 - HD3 LYS 43 - QD1 ILE 5 lone 0 78 - 0 - HD2 LYS 43 - QD1 ILE 5 lone 0 77 - 0 - HG12 ILE 71 - QD1 ILE 5 lone 0 62 - 0 - HD2 LYS 44 - QD1 ILE 5 lone 0 41 - 0 - Peak 4407 from cnoeabs.peaks (0.75, 0.64, 13.41 ppm; 2.40 A): 2 out of 22 assignments used, quality = 0.71: * QG2 ILE 54 + QD1 ILE 54 OK 67 100 - 67 - 3.1=46, 4393/2.1=15...(9) QD2 LEU 55 + QD1 ILE 5 OK 12 66 - 17 - 11487/2.1=3, 11138/2.1=3...(8) QD2 LEU 6 - QD1 ILE 5 poor 8 64 - 12 - 11611/3.2=3, 2.1/11567=2...(5) QG2 ILE 54 - QD1 ILE 5 lone 8 78 - 10 - 4389=3, 4.4/7568=2...(4) QD2 LEU 14 - QD1 ILE 5 poor 6 47 - 13 - 2.1/11652=4, 2.1/11651=3...(5) QG2 ILE 7 - QD1 ILE 5 lone 6 78 - 7 - 11583/2.1=2, ~10941=1, ~9075=1 QD2 LEU 55 - QD1 ILE 54 lone 5 92 - 6 - 4.7/7568=3 QD2 LEU 14 - QD1 ILE 54 lone 4 70 - 6 - 2.1/11652=1, 3.1/11330=1 HG13 ILE 18 - QD1 ILE 5 lone 3 47 - 6 - QG2 ILE 7 - QD1 ILE 54 lone 2 100 - 2 - QD2 LEU 6 - QD1 ILE 54 lone 2 90 - 2 - QD1 ILE 15 - QD1 ILE 5 lone 2 44 - 4 - QD1 ILE 15 - QD1 ILE 54 lone 2 65 - 2 - QD1 LEU 63 - QD1 ILE 54 lone 1 99 - 1 - QD1 LEU 45 - QD1 ILE 54 lone 1 96 - 1 - QD1 LEU 63 - QD1 ILE 5 lone 1 75 - 1 - QD1 LEU 45 - QD1 ILE 5 lone 1 71 - 1 - HG13 ILE 18 - QD1 ILE 54 lone 0 70 - 1 - QG2 VAL 32 - QD1 ILE 54 lone 0 70 - 1 - QG1 VAL 107 - QD1 ILE 54 lone 0 70 - 0 - QG2 VAL 32 - QD1 ILE 5 lone 0 47 - 0 - QG1 VAL 107 - QD1 ILE 5 lone 0 47 - 0 - Peak 4408 from cnoeabs.peaks (1.25, 0.64, 13.41 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 54 + QD1 ILE 54 OK 100 100 - 100 - 2.1=100 Peak 4409 from cnoeabs.peaks (0.91, 0.64, 13.41 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 54 + QD1 ILE 54 OK 100 100 - 100 - 2.1=100 Peak 4410 from cnoeabs.peaks (0.64, 0.64, 13.41 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 ILE 54 + QD1 ILE 54 OK 100 100 - 100 QD1 ILE 5 + QD1 ILE 5 OK 64 64 - 100 Peak 4411 from cnoeabs.peaks (9.10, 5.64, 53.50 ppm; 5.12 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 55 + HA LEU 55 OK 100 100 - 100 - 3.0=100 Peak 4412 from cnoeabs.peaks (5.64, 5.64, 53.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 55 + HA LEU 55 OK 100 100 - 100 Peak 4413 from cnoeabs.peaks (1.76, 5.64, 53.50 ppm; 4.96 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 55 + HA LEU 55 OK 100 100 - 100 - 3.0=100 Peak 4414 from cnoeabs.peaks (1.32, 5.64, 53.50 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 55 + HA LEU 55 OK 100 100 - 100 - 3.0=100 Peak 4415 from cnoeabs.peaks (1.57, 5.64, 53.50 ppm; 4.36 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 55 + HA LEU 55 OK 100 100 - 100 - 4.3=100 Peak 4416 from cnoeabs.peaks (0.68, 5.64, 53.50 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 55 + HA LEU 55 OK 100 100 - 100 - 4.0=100 Peak 4417 from cnoeabs.peaks (0.74, 5.64, 53.50 ppm; 4.00 A): 2 out of 11 assignments used, quality = 1.00: * QD2 LEU 55 + HA LEU 55 OK 99 100 - 99 - 4.0=98, 4.6/332=24...(9) QG2 ILE 54 + HA LEU 55 OK 60 92 - 66 - 7565/3.0=29...(10) QD2 LEU 6 - HA LEU 55 OK 25 100 - 25 - 11559/3.6=17...(4) HG13 ILE 18 - HA LEU 55 poor 10 97 - 10 - 11709/4.0=2, 1361/3.0=1...(4) QD1 LEU 63 - HA LEU 55 lone 9 99 - 10 - 11559/3.6=7, 1361/3.0=1 QG2 ILE 7 - HA LEU 55 lone 8 96 - 8 - 11076/3.0=3, 337/3.6=2 QG2 ILE 18 - HA LEU 55 lone 4 65 - 6 - 4.0/9525=1 QG2 VAL 78 - HA LEU 55 lone 3 90 - 3 - 10738/9057=2 QG1 VAL 117 - HA LEU 55 lone 3 77 - 3 - QD2 LEU 45 - HA LEU 55 lone 1 90 - 1 - QD1 LEU 45 - HA LEU 55 lone 1 65 - 1 - Peak 4418 from cnoeabs.peaks (9.10, 1.76, 45.20 ppm; 4.39 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 55 + HB2 LEU 55 OK 100 100 - 100 - 3.9=100 Peak 4419 from cnoeabs.peaks (5.64, 1.76, 45.20 ppm; 4.77 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 55 + HB2 LEU 55 OK 100 100 - 100 - 3.0=100 Peak 4420 from cnoeabs.peaks (1.76, 1.76, 45.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 55 + HB2 LEU 55 OK 100 100 - 100 Peak 4421 from cnoeabs.peaks (1.32, 1.76, 45.20 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 55 + HB2 LEU 55 OK 100 100 - 100 - 1.8=100 Peak 4422 from cnoeabs.peaks (1.57, 1.76, 45.20 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 55 + HB2 LEU 55 OK 100 100 - 100 - 3.0=100 Peak 4423 from cnoeabs.peaks (0.68, 1.76, 45.20 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 55 + HB2 LEU 55 OK 100 100 - 100 - 3.1=100 Peak 4424 from cnoeabs.peaks (0.74, 1.76, 45.20 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 55 + HB2 LEU 55 OK 100 100 - 100 - 3.1=100 Peak 4425 from cnoeabs.peaks (9.10, 1.32, 45.20 ppm; 4.36 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 55 + HB3 LEU 55 OK 100 100 - 100 - 3.9=100 Peak 4426 from cnoeabs.peaks (5.64, 1.32, 45.20 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 55 + HB3 LEU 55 OK 100 100 - 100 - 3.0=100 Peak 4427 from cnoeabs.peaks (1.76, 1.32, 45.20 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 55 + HB3 LEU 55 OK 100 100 - 100 - 1.8=100 Peak 4428 from cnoeabs.peaks (1.32, 1.32, 45.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 55 + HB3 LEU 55 OK 100 100 - 100 Peak 4429 from cnoeabs.peaks (1.57, 1.32, 45.20 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 55 + HB3 LEU 55 OK 100 100 - 100 - 3.0=100 Peak 4430 from cnoeabs.peaks (0.68, 1.32, 45.20 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 55 + HB3 LEU 55 OK 100 100 - 100 - 3.1=100 Peak 4431 from cnoeabs.peaks (0.74, 1.32, 45.20 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 55 + HB3 LEU 55 OK 100 100 - 100 - 3.1=100 Peak 4434 from cnoeabs.peaks (1.76, 1.57, 27.37 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 55 + HG LEU 55 OK 100 100 - 100 - 3.0=100 Peak 4435 from cnoeabs.peaks (1.32, 1.57, 27.37 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 55 + HG LEU 55 OK 100 100 - 100 - 3.0=100 Peak 4436 from cnoeabs.peaks (1.57, 1.57, 27.37 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 55 + HG LEU 55 OK 100 100 - 100 HG12 ILE 3 + HG12 ILE 3 OK 95 95 - 100 Peak 4437 from cnoeabs.peaks (0.68, 1.57, 27.37 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 55 + HG LEU 55 OK 100 100 - 100 - 2.1=100 Peak 4438 from cnoeabs.peaks (0.74, 1.57, 27.37 ppm; 3.35 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 55 + HG LEU 55 OK 100 100 - 100 - 2.1=100 Peak 4439 from cnoeabs.peaks (9.10, 0.68, 26.27 ppm; 4.70 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 55 + QD1 LEU 55 OK 100 100 - 100 - 4.7=100 Peak 4440 from cnoeabs.peaks (5.64, 0.68, 26.27 ppm; 4.20 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 55 + QD1 LEU 55 OK 100 100 - 100 - 4.0=100 Peak 4441 from cnoeabs.peaks (1.76, 0.68, 26.27 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 55 + QD1 LEU 55 OK 100 100 - 100 - 3.1=100 Peak 4442 from cnoeabs.peaks (1.32, 0.68, 26.27 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 55 + QD1 LEU 55 OK 100 100 - 100 - 3.1=100 Peak 4443 from cnoeabs.peaks (1.57, 0.68, 26.27 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 55 + QD1 LEU 55 OK 100 100 - 100 - 2.1=100 Peak 4444 from cnoeabs.peaks (0.68, 0.68, 26.27 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 55 + QD1 LEU 55 OK 100 100 - 100 QD2 LEU 4 + QD2 LEU 4 OK 52 52 - 100 Peak 4445 from cnoeabs.peaks (0.74, 0.68, 26.27 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 55 + QD1 LEU 55 OK 100 100 - 100 - 2.1=100 Peak 4446 from cnoeabs.peaks (9.10, 0.74, 26.63 ppm; 5.17 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 55 + QD2 LEU 55 OK 100 100 - 100 - 4.7=100 Peak 4447 from cnoeabs.peaks (5.64, 0.74, 26.63 ppm; 4.69 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 55 + QD2 LEU 55 OK 100 100 - 100 - 4.0=100 Peak 4448 from cnoeabs.peaks (1.76, 0.74, 26.63 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 55 + QD2 LEU 55 OK 100 100 - 100 - 3.1=100 Peak 4449 from cnoeabs.peaks (1.32, 0.74, 26.63 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 55 + QD2 LEU 55 OK 100 100 - 100 - 3.1=100 Peak 4450 from cnoeabs.peaks (1.57, 0.74, 26.63 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 55 + QD2 LEU 55 OK 100 100 - 100 - 2.1=100 Peak 4451 from cnoeabs.peaks (0.68, 0.74, 26.63 ppm; 2.64 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 55 + QD2 LEU 55 OK 100 100 - 100 - 2.1=100 Peak 4452 from cnoeabs.peaks (0.74, 0.74, 26.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 55 + QD2 LEU 55 OK 100 100 - 100 Peak 4454 from cnoeabs.peaks (5.06, 5.06, 59.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 56 + HA ILE 56 OK 100 100 - 100 Peak 4455 from cnoeabs.peaks (1.69, 5.06, 59.11 ppm; 5.45 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 56 + HA ILE 56 OK 100 100 - 100 - 3.0=100 Peak 4456 from cnoeabs.peaks (0.69, 5.06, 59.11 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 56 + HA ILE 56 OK 100 100 - 100 - 3.2=100 Peak 4457 from cnoeabs.peaks (1.43, 5.06, 59.11 ppm; 4.39 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 56 + HA ILE 56 OK 100 100 - 100 - 4.0=100 Peak 4458 from cnoeabs.peaks (0.96, 5.06, 59.11 ppm; 5.18 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 56 + HA ILE 56 OK 100 100 - 100 - 4.0=100 Peak 4459 from cnoeabs.peaks (0.66, 5.06, 59.11 ppm; 3.70 A): 2 out of 6 assignments used, quality = 0.95: * QD1 ILE 56 + HA ILE 56 OK 94 100 - 94 - 4.2=70, 4473/3.2=31...(12) QD1 ILE 71 + HA ILE 56 OK 12 97 - 12 - 1368/3.0=3, 4473/3.2=3...(5) QD1 LEU 4 - HA ILE 56 poor 9 61 - 15 - 1368/3.0=2, 4466/3.0=2...(9) QD2 LEU 4 - HA ILE 56 poor 9 70 - 13 - 1368/3.0=2, 4466/3.0=2...(7) QD2 LEU 114 - HA ILE 56 lone 5 94 - 5 - 1368/3.0=1, 344/3.6=1 QD1 ILE 116 - HA ILE 56 lone 1 61 - 2 - Peak 4460 from cnoeabs.peaks (9.18, 1.69, 39.82 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 56 + HB ILE 56 OK 100 100 - 100 - 4.0=100 Peak 4461 from cnoeabs.peaks (5.06, 1.69, 39.82 ppm; 5.28 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 56 + HB ILE 56 OK 100 100 - 100 - 3.0=100 Peak 4462 from cnoeabs.peaks (1.69, 1.69, 39.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 56 + HB ILE 56 OK 100 100 - 100 Peak 4463 from cnoeabs.peaks (0.69, 1.69, 39.82 ppm; 3.11 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 56 + HB ILE 56 OK 100 100 - 100 - 2.1=100 Peak 4464 from cnoeabs.peaks (1.43, 1.69, 39.82 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 56 + HB ILE 56 OK 100 100 - 100 - 2.9=100 Peak 4465 from cnoeabs.peaks (0.96, 1.69, 39.82 ppm; 4.54 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 56 + HB ILE 56 OK 100 100 - 100 - 2.9=100 Peak 4466 from cnoeabs.peaks (0.66, 1.69, 39.82 ppm; 3.21 A): 1 out of 6 assignments used, quality = 0.99: * QD1 ILE 56 + HB ILE 56 OK 99 100 - 99 - 3.2=99 QD1 ILE 71 - HB ILE 56 poor 10 97 - 10 - 4473/2.1=3, 4459/3.0=2...(5) QD2 LEU 4 - HB ILE 56 poor 8 70 - 11 - 2.1/10735=2, 4473/2.1=2...(5) QD1 LEU 4 - HB ILE 56 poor 7 61 - 11 - 2.1/10734=2, 4459/3.0=2...(5) QD2 LEU 114 - HB ILE 56 lone 4 94 - 4 - QD1 ILE 116 - HB ILE 56 lone 1 61 - 1 - Peak 4467 from cnoeabs.peaks (9.18, 0.69, 17.09 ppm; 4.93 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 56 + QG2 ILE 56 OK 100 100 - 100 - 4.0=100 Peak 4468 from cnoeabs.peaks (5.06, 0.69, 17.09 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 56 + QG2 ILE 56 OK 100 100 - 100 - 3.2=100 Peak 4469 from cnoeabs.peaks (1.69, 0.69, 17.09 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 56 + QG2 ILE 56 OK 100 100 - 100 - 2.1=100 Peak 4470 from cnoeabs.peaks (0.69, 0.69, 17.09 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 56 + QG2 ILE 56 OK 100 100 - 100 Peak 4471 from cnoeabs.peaks (1.43, 0.69, 17.09 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 56 + QG2 ILE 56 OK 100 100 - 100 - 3.2=100 Peak 4472 from cnoeabs.peaks (0.96, 0.69, 17.09 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 56 + QG2 ILE 56 OK 100 100 - 100 - 3.2=100 Peak 4473 from cnoeabs.peaks (0.66, 0.69, 17.09 ppm; 2.40 A): 1 out of 6 assignments used, quality = 0.75: * QD1 ILE 56 + QG2 ILE 56 OK 75 100 - 75 - 2.9=56, 4466/2.1=13...(9) QD1 ILE 71 - QG2 ILE 56 lone 6 97 - 7 - 4466/2.1=1 QD2 LEU 4 - QG2 ILE 56 lone 3 70 - 5 - 4466/2.1=1 QD1 LEU 4 - QG2 ILE 56 lone 3 61 - 5 - QD2 LEU 114 - QG2 ILE 56 lone 2 94 - 2 - QD1 ILE 116 - QG2 ILE 56 lone 0 61 - 1 - Peak 4474 from cnoeabs.peaks (9.18, 1.43, 27.65 ppm; 4.88 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 56 + HG12 ILE 56 OK 100 100 - 100 - 4.6=100 Peak 4475 from cnoeabs.peaks (5.06, 1.43, 27.65 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 56 + HG12 ILE 56 OK 100 100 - 100 - 4.0=100 Peak 4476 from cnoeabs.peaks (1.69, 1.43, 27.65 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 56 + HG12 ILE 56 OK 100 100 - 100 - 2.9=100 Peak 4477 from cnoeabs.peaks (0.69, 1.43, 27.65 ppm; 3.01 A): 1 out of 8 assignments used, quality = 0.92: * QG2 ILE 56 + HG12 ILE 56 OK 92 100 - 92 - 3.2=83, 4473/2.1=32...(8) QD2 LEU 63 - HG12 ILE 56 OK 23 77 - 30 - 2.1/11706=8, 4491/2.1=5...(10) QD1 LEU 55 - HG12 ILE 56 OK 20 92 - 22 - 7573/4.6=7, 2.1/11706=5...(6) QD1 ILE 57 - HG12 ILE 56 OK 11 84 - 13 - 4.9/7578=5, 9572/4.0=4...(4) QD2 LEU 4 - HG12 ILE 56 lone 5 73 - 7 - 7573/4.6=1 QG2 ILE 97 - HG12 ILE 56 lone 2 87 - 2 - QD2 LEU 81 - HG12 ILE 56 lone 1 87 - 1 - QD1 ILE 116 - HG12 ILE 56 lone 1 81 - 1 - Peak 4478 from cnoeabs.peaks (1.43, 1.43, 27.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 56 + HG12 ILE 56 OK 100 100 - 100 Peak 4479 from cnoeabs.peaks (0.96, 1.43, 27.65 ppm; 3.12 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 56 + HG12 ILE 56 OK 100 100 - 100 - 1.8=100 Peak 4480 from cnoeabs.peaks (0.66, 1.43, 27.65 ppm; 2.99 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 56 + HG12 ILE 56 OK 100 100 - 100 - 2.1=100 Peak 4481 from cnoeabs.peaks (9.18, 0.96, 27.65 ppm; 5.10 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 56 + HG13 ILE 56 OK 100 100 - 100 - 4.6=100 Peak 4482 from cnoeabs.peaks (5.06, 0.96, 27.65 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 56 + HG13 ILE 56 OK 100 100 - 100 - 4.0=100 Peak 4483 from cnoeabs.peaks (1.69, 0.96, 27.65 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 56 + HG13 ILE 56 OK 100 100 - 100 - 2.9=100 Peak 4484 from cnoeabs.peaks (0.69, 0.96, 27.65 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 56 + HG13 ILE 56 OK 100 100 - 100 - 3.2=100 Peak 4485 from cnoeabs.peaks (1.43, 0.96, 27.65 ppm; 3.08 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 56 + HG13 ILE 56 OK 100 100 - 100 - 1.8=100 Peak 4486 from cnoeabs.peaks (0.96, 0.96, 27.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 56 + HG13 ILE 56 OK 100 100 - 100 Peak 4487 from cnoeabs.peaks (0.66, 0.96, 27.65 ppm; 3.15 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 56 + HG13 ILE 56 OK 100 100 - 100 - 2.1=100 Peak 4489 from cnoeabs.peaks (5.06, 0.66, 12.57 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 56 + QD1 ILE 56 OK 100 100 - 100 - 4.2=100 Peak 4490 from cnoeabs.peaks (1.69, 0.66, 12.57 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 56 + QD1 ILE 56 OK 100 100 - 100 - 3.2=100 Peak 4491 from cnoeabs.peaks (0.69, 0.66, 12.57 ppm; 2.40 A): 3 out of 8 assignments used, quality = 0.82: * QG2 ILE 56 + QD1 ILE 56 OK 75 100 - 75 - 2.9=56, 2.1/4466=13...(9) QD2 LEU 63 + QD1 ILE 56 OK 15 77 - 20 - 2.1/11707=5, 3.1/9547=4...(9) QD1 LEU 55 + QD1 ILE 56 OK 13 92 - 14 - 4.6/1368=5, 2.1/11707=3...(5) QD1 ILE 57 - QD1 ILE 56 lone 8 84 - 9 - 4.9/344=5, 9572/4.2=2 QD2 LEU 4 - QD1 ILE 56 lone 3 73 - 4 - QG2 ILE 97 - QD1 ILE 56 lone 1 87 - 1 - QD2 LEU 81 - QD1 ILE 56 lone 1 87 - 1 - QD1 ILE 116 - QD1 ILE 56 lone 0 81 - 1 - Peak 4492 from cnoeabs.peaks (1.43, 0.66, 12.57 ppm; 3.25 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 56 + QD1 ILE 56 OK 100 100 - 100 - 2.1=100 Peak 4493 from cnoeabs.peaks (0.96, 0.66, 12.57 ppm; 3.41 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 56 + QD1 ILE 56 OK 100 100 - 100 - 2.1=100 Peak 4494 from cnoeabs.peaks (0.66, 0.66, 12.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 56 + QD1 ILE 56 OK 100 100 - 100 Peak 4496 from cnoeabs.peaks (4.91, 4.91, 59.26 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 57 + HA ILE 57 OK 100 100 - 100 Peak 4497 from cnoeabs.peaks (1.82, 4.91, 59.26 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 57 + HA ILE 57 OK 100 100 - 100 - 3.0=100 Peak 4498 from cnoeabs.peaks (0.84, 4.91, 59.26 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 57 + HA ILE 57 OK 100 100 - 100 - 3.2=100 Peak 4499 from cnoeabs.peaks (1.46, 4.91, 59.26 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 57 + HA ILE 57 OK 100 100 - 100 - 4.2=100 Peak 4500 from cnoeabs.peaks (0.86, 4.91, 59.26 ppm; 4.54 A): 2 out of 2 assignments used, quality = 1.00: * HG13 ILE 57 + HA ILE 57 OK 100 100 - 100 - 4.2=100 QG2 ILE 57 + HA ILE 57 OK 61 61 - 100 - 3.2=100 Peak 4501 from cnoeabs.peaks (0.71, 4.91, 59.26 ppm; 3.89 A): 2 out of 9 assignments used, quality = 0.97: * QD1 ILE 57 + HA ILE 57 OK 94 100 - 94 - 4.2=81, 4515/3.2=21...(11) QG2 ILE 56 + HA ILE 57 OK 55 84 - 65 - 7577/3.0=18, ~344=11...(12) QD2 LEU 81 - HA ILE 57 OK 39 100 - 39 - 11634/3.0=9, 11389/4.2=7...(10) QD1 LEU 6 - HA ILE 57 OK 12 96 - 13 - 5.0/9078=8, 351/3.6=2 QG2 ILE 18 - HA ILE 57 OK 11 90 - 12 - ~7384=2, 4515/3.2=2...(5) QD2 LEU 63 - HA ILE 57 lone 5 100 - 6 - 351/3.6=3, 1375/3.0=1 QG1 VAL 117 - HA ILE 57 lone 3 81 - 4 - QG2 VAL 78 - HA ILE 57 lone 1 65 - 2 - QD2 LEU 45 - HA ILE 57 lone 1 65 - 1 - Peak 4502 from cnoeabs.peaks (8.54, 1.82, 38.95 ppm; 3.85 A): 1 out of 4 assignments used, quality = 0.97: * H ILE 57 + HB ILE 57 OK 97 100 - 97 - 4.0=92, 1372/2.1=21...(9) H LYS 19 - HB ILE 57 OK 42 94 - 45 - 4530/3.2=9, ~9560=8...(14) H ASN 88 - HB ILE 57 poor 9 81 - 11 - 11177/3.0=7, 4516/2.9=2 H VAL 107 - HB ILE 57 lone 7 81 - 9 - 680/2.9=2, 4.6/671=2...(5) Peak 4503 from cnoeabs.peaks (4.91, 1.82, 38.95 ppm; 5.30 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 57 + HB ILE 57 OK 100 100 - 100 - 3.0=100 Peak 4504 from cnoeabs.peaks (1.82, 1.82, 38.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 57 + HB ILE 57 OK 100 100 - 100 Peak 4505 from cnoeabs.peaks (0.84, 1.82, 38.95 ppm; 3.30 A): 2 out of 2 assignments used, quality = 1.00: * QG2 ILE 57 + HB ILE 57 OK 100 100 - 100 - 2.1=100 HG13 ILE 57 + HB ILE 57 OK 61 61 - 100 - 2.9=100 Peak 4506 from cnoeabs.peaks (1.46, 1.82, 38.95 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 57 + HB ILE 57 OK 100 100 - 100 - 2.9=100 Peak 4507 from cnoeabs.peaks (0.86, 1.82, 38.95 ppm; 3.45 A): 2 out of 2 assignments used, quality = 1.00: * HG13 ILE 57 + HB ILE 57 OK 100 100 - 100 - 2.9=100 QG2 ILE 57 + HB ILE 57 OK 61 61 - 100 - 2.1=100 Peak 4508 from cnoeabs.peaks (0.71, 1.82, 38.95 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 57 + HB ILE 57 OK 100 100 - 100 - 3.2=100 Peak 4509 from cnoeabs.peaks (8.54, 0.84, 17.77 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 57 + QG2 ILE 57 OK 100 100 - 100 - 4.0=100 Peak 4510 from cnoeabs.peaks (4.91, 0.84, 17.77 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 57 + QG2 ILE 57 OK 100 100 - 100 - 3.2=100 Peak 4511 from cnoeabs.peaks (1.82, 0.84, 17.77 ppm; 3.17 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 57 + QG2 ILE 57 OK 100 100 - 100 - 2.1=100 Peak 4512 from cnoeabs.peaks (0.84, 0.84, 17.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 57 + QG2 ILE 57 OK 100 100 - 100 Peak 4513 from cnoeabs.peaks (1.46, 0.84, 17.77 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 57 + QG2 ILE 57 OK 100 100 - 100 - 3.2=100 Peak 4514 from cnoeabs.peaks (0.86, 0.84, 17.77 ppm; diagonal): 1 out of 1 assignment used, quality = 0.61: QG2 ILE 57 + QG2 ILE 57 OK 61 61 - 100 Reference assignment not found: HG13 ILE 57 - QG2 ILE 57 Peak 4515 from cnoeabs.peaks (0.71, 0.84, 17.77 ppm; 2.77 A): 3 out of 9 assignments used, quality = 0.90: * QD1 ILE 57 + QG2 ILE 57 OK 82 100 - 82 - 3.0=77, 4501/3.2=6...(5) QD2 LEU 81 + QG2 ILE 57 OK 25 100 - 25 - 11634/2.1=5, 11389/3.2=5...(10) QG2 ILE 56 + QG2 ILE 57 OK 21 84 - 25 - 7577/4.0=7, 3.2/9566=5...(8) QG2 ILE 18 - QG2 ILE 57 lone 7 90 - 8 - 3.7/10781=1, 3.2/9186=1 QD1 LEU 6 - QG2 ILE 57 lone 5 96 - 5 - 5.0/10672=2 QG1 VAL 117 - QG2 ILE 57 lone 3 81 - 4 - QD2 LEU 63 - QG2 ILE 57 lone 3 100 - 3 - 351/4.4=1 QG2 VAL 78 - QG2 ILE 57 lone 1 65 - 1 - QD2 LEU 45 - QG2 ILE 57 lone 0 65 - 0 - Peak 4516 from cnoeabs.peaks (8.54, 1.46, 27.65 ppm; 4.11 A): 2 out of 4 assignments used, quality = 0.96: * H ILE 57 + HG12 ILE 57 OK 93 100 - 93 - 4.6=73, 1371/2.9=23...(11) H LYS 19 + HG12 ILE 57 OK 41 94 - 43 - 4530/2.1=12, ~9560=11...(9) H VAL 107 - HG12 ILE 57 OK 11 81 - 13 - 680=3, 4.6/7584=3...(5) H ASN 88 - HG12 ILE 57 poor 9 81 - 11 - 11177/4.2=7, 4530/2.1=2 Peak 4517 from cnoeabs.peaks (4.91, 1.46, 27.65 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 57 + HG12 ILE 57 OK 100 100 - 100 - 4.2=100 Peak 4518 from cnoeabs.peaks (1.82, 1.46, 27.65 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 57 + HG12 ILE 57 OK 100 100 - 100 - 2.9=100 Peak 4519 from cnoeabs.peaks (0.84, 1.46, 27.65 ppm; 2.83 A): 1 out of 1 assignment used, quality = 0.61: HG13 ILE 57 + HG12 ILE 57 OK 61 61 - 100 - 1.8=100 Reference assignment not found: QG2 ILE 57 - HG12 ILE 57 Peak 4520 from cnoeabs.peaks (1.46, 1.46, 27.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 57 + HG12 ILE 57 OK 100 100 - 100 Peak 4521 from cnoeabs.peaks (0.86, 1.46, 27.65 ppm; 2.81 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 57 + HG12 ILE 57 OK 100 100 - 100 - 1.8=100 Peak 4522 from cnoeabs.peaks (0.71, 1.46, 27.65 ppm; 2.78 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 57 + HG12 ILE 57 OK 100 100 - 100 - 2.1=100 Peak 4523 from cnoeabs.peaks (8.54, 0.86, 27.65 ppm; 4.90 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 57 + HG13 ILE 57 OK 100 100 - 100 - 4.6=100 Peak 4524 from cnoeabs.peaks (4.91, 0.86, 27.65 ppm; 4.79 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 57 + HG13 ILE 57 OK 100 100 - 100 - 4.2=100 Peak 4525 from cnoeabs.peaks (1.82, 0.86, 27.65 ppm; 3.52 A): 1 out of 2 assignments used, quality = 1.00: * HB ILE 57 + HG13 ILE 57 OK 100 100 - 100 - 2.9=100 HG12 ILE 5 - HG13 ILE 5 OK 43 43 - 100 - 1.8=100 Peak 4526 from cnoeabs.peaks (0.84, 0.86, 27.65 ppm; diagonal): 2 out of 2 assignments used, quality = 0.86: HG13 ILE 5 + HG13 ILE 5 OK 64 64 - 100 HG13 ILE 57 + HG13 ILE 57 OK 61 61 - 100 Reference assignment not found: QG2 ILE 57 - HG13 ILE 57 Peak 4527 from cnoeabs.peaks (1.46, 0.86, 27.65 ppm; 3.06 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 57 + HG13 ILE 57 OK 100 100 - 100 - 1.8=100 Peak 4528 from cnoeabs.peaks (0.86, 0.86, 27.65 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG13 ILE 57 + HG13 ILE 57 OK 100 100 - 100 HG13 ILE 5 + HG13 ILE 5 OK 50 50 - 100 Peak 4529 from cnoeabs.peaks (0.71, 0.86, 27.65 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 57 + HG13 ILE 57 OK 100 100 - 100 - 2.1=100 Peak 4530 from cnoeabs.peaks (8.54, 0.71, 13.94 ppm; 4.20 A): 2 out of 4 assignments used, quality = 0.97: * H ILE 57 + QD1 ILE 57 OK 93 100 - 93 - 4.9=64, 1373/2.1=26...(13) H LYS 19 + QD1 ILE 57 OK 60 94 - 63 - 3.0/9560=15, 4516/2.1=10...(20) H ASN 88 - QD1 ILE 57 poor 10 81 - 12 - 11177/4.2=7, 4516/2.1=2 H VAL 107 - QD1 ILE 57 poor 9 81 - 11 - 680/2.1=3, 4.6/7586=3...(4) Peak 4531 from cnoeabs.peaks (4.91, 0.71, 13.94 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 57 + QD1 ILE 57 OK 100 100 - 100 - 4.2=100 Peak 4532 from cnoeabs.peaks (1.82, 0.71, 13.94 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 57 + QD1 ILE 57 OK 100 100 - 100 - 3.2=100 Peak 4533 from cnoeabs.peaks (0.84, 0.71, 13.94 ppm; 2.45 A): 1 out of 1 assignment used, quality = 0.61: HG13 ILE 57 + QD1 ILE 57 OK 61 61 - 100 - 2.1=100 Reference assignment not found: QG2 ILE 57 - QD1 ILE 57 Peak 4534 from cnoeabs.peaks (1.46, 0.71, 13.94 ppm; 3.13 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 57 + QD1 ILE 57 OK 100 100 - 100 - 2.1=100 Peak 4535 from cnoeabs.peaks (0.86, 0.71, 13.94 ppm; 2.50 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 57 + QD1 ILE 57 OK 100 100 - 100 - 2.1=100 Peak 4536 from cnoeabs.peaks (0.71, 0.71, 13.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 57 + QD1 ILE 57 OK 100 100 - 100 Peak 4538 from cnoeabs.peaks (5.01, 5.01, 56.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 58 + HA SER 58 OK 100 100 - 100 Peak 4539 from cnoeabs.peaks (3.78, 5.01, 56.73 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 58 + HA SER 58 OK 100 100 - 100 - 3.0=100 Peak 4540 from cnoeabs.peaks (3.42, 5.01, 56.73 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 58 + HA SER 58 OK 100 100 - 100 - 3.0=100 Peak 4541 from cnoeabs.peaks (8.81, 3.78, 66.61 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: * H SER 58 + HB2 SER 58 OK 100 100 - 100 - 4.0=100 Peak 4542 from cnoeabs.peaks (5.01, 3.78, 66.61 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 58 + HB2 SER 58 OK 100 100 - 100 - 3.0=100 Peak 4543 from cnoeabs.peaks (3.78, 3.78, 66.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 58 + HB2 SER 58 OK 100 100 - 100 Peak 4544 from cnoeabs.peaks (3.42, 3.78, 66.61 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 58 + HB2 SER 58 OK 100 100 - 100 - 1.8=100 Peak 4545 from cnoeabs.peaks (8.81, 3.42, 66.61 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * H SER 58 + HB3 SER 58 OK 100 100 - 100 - 4.0=100 Peak 4546 from cnoeabs.peaks (5.01, 3.42, 66.61 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * HA SER 58 + HB3 SER 58 OK 100 100 - 100 - 3.0=100 Peak 4547 from cnoeabs.peaks (3.78, 3.42, 66.61 ppm; 3.24 A): 1 out of 1 assignment used, quality = 1.00: * HB2 SER 58 + HB3 SER 58 OK 100 100 - 100 - 1.8=100 Peak 4548 from cnoeabs.peaks (3.42, 3.42, 66.61 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 SER 58 + HB3 SER 58 OK 100 100 - 100 Peak 4549 from cnoeabs.peaks (8.79, 4.71, 52.51 ppm; 3.41 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 59 + HA ASN 59 OK 100 100 - 100 - 3.0=100 Peak 4550 from cnoeabs.peaks (4.71, 4.71, 52.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 59 + HA ASN 59 OK 100 100 - 100 Peak 4551 from cnoeabs.peaks (3.01, 4.71, 52.51 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 59 + HA ASN 59 OK 100 100 - 100 - 3.0=100 Peak 4552 from cnoeabs.peaks (2.87, 4.71, 52.51 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 59 + HA ASN 59 OK 100 100 - 100 - 3.0=100 Peak 4555 from cnoeabs.peaks (8.79, 3.01, 38.96 ppm; 4.91 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 59 + HB2 ASN 59 OK 100 100 - 100 - 4.0=100 Peak 4556 from cnoeabs.peaks (4.71, 3.01, 38.96 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 59 + HB2 ASN 59 OK 100 100 - 100 - 3.0=100 Peak 4557 from cnoeabs.peaks (3.01, 3.01, 38.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 59 + HB2 ASN 59 OK 100 100 - 100 Peak 4558 from cnoeabs.peaks (2.87, 3.01, 38.96 ppm; 3.13 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 59 + HB2 ASN 59 OK 100 100 - 100 - 1.8=100 Peak 4559 from cnoeabs.peaks (7.52, 3.01, 38.96 ppm; 4.91 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 59 + HB2 ASN 59 OK 100 100 - 100 - 3.5=100 Peak 4560 from cnoeabs.peaks (6.75, 3.01, 38.96 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 59 + HB2 ASN 59 OK 100 100 - 100 - 3.5=100 Peak 4561 from cnoeabs.peaks (8.79, 2.87, 38.96 ppm; 4.57 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 59 + HB3 ASN 59 OK 100 100 - 100 - 4.0=100 Peak 4562 from cnoeabs.peaks (4.71, 2.87, 38.96 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 59 + HB3 ASN 59 OK 100 100 - 100 - 3.0=100 Peak 4563 from cnoeabs.peaks (3.01, 2.87, 38.96 ppm; 2.74 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 59 + HB3 ASN 59 OK 100 100 - 100 - 1.8=100 Peak 4564 from cnoeabs.peaks (2.87, 2.87, 38.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 59 + HB3 ASN 59 OK 100 100 - 100 Peak 4565 from cnoeabs.peaks (7.52, 2.87, 38.96 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 59 + HB3 ASN 59 OK 100 100 - 100 - 3.5=100 Peak 4566 from cnoeabs.peaks (6.75, 2.87, 38.96 ppm; 4.80 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 59 + HB3 ASN 59 OK 100 100 - 100 - 3.5=100 Peak 4567 from cnoeabs.peaks (7.86, 4.86, 53.10 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 60 + HA ASP 60 OK 100 100 - 100 - 3.0=100 Peak 4568 from cnoeabs.peaks (4.86, 4.86, 53.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 60 + HA ASP 60 OK 100 100 - 100 Peak 4569 from cnoeabs.peaks (2.73, 4.86, 53.10 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 60 + HA ASP 60 OK 100 100 - 100 - 3.0=100 Peak 4570 from cnoeabs.peaks (2.57, 4.86, 53.10 ppm; 5.65 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 60 + HA ASP 60 OK 100 100 - 100 - 3.0=100 Peak 4571 from cnoeabs.peaks (7.86, 2.73, 42.95 ppm; 4.53 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 60 + HB2 ASP 60 OK 100 100 - 100 - 4.0=100 Peak 4572 from cnoeabs.peaks (4.86, 2.73, 42.95 ppm; 4.70 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 60 + HB2 ASP 60 OK 100 100 - 100 - 3.0=100 Peak 4573 from cnoeabs.peaks (2.73, 2.73, 42.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 60 + HB2 ASP 60 OK 100 100 - 100 Peak 4574 from cnoeabs.peaks (2.57, 2.73, 42.95 ppm; 3.44 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 60 + HB2 ASP 60 OK 100 100 - 100 - 1.8=100 Peak 4575 from cnoeabs.peaks (7.86, 2.57, 42.95 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 60 + HB3 ASP 60 OK 100 100 - 100 - 4.0=100 Peak 4576 from cnoeabs.peaks (4.86, 2.57, 42.95 ppm; 4.29 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 60 + HB3 ASP 60 OK 100 100 - 100 - 3.0=100 Peak 4577 from cnoeabs.peaks (2.73, 2.57, 42.95 ppm; 3.32 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 60 + HB3 ASP 60 OK 100 100 - 100 - 1.8=100 Peak 4578 from cnoeabs.peaks (2.57, 2.57, 42.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 60 + HB3 ASP 60 OK 100 100 - 100 Peak 4579 from cnoeabs.peaks (8.90, 3.72, 59.63 ppm; 4.50 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 61 + HA LYS 61 OK 100 100 - 100 - 3.0=100 Peak 4580 from cnoeabs.peaks (3.72, 3.72, 59.63 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 61 + HA LYS 61 OK 100 100 - 100 Peak 4581 from cnoeabs.peaks (1.52, 3.72, 59.63 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 61 + HA LYS 61 OK 100 100 - 100 - 3.0=100 Peak 4582 from cnoeabs.peaks (1.43, 3.72, 59.63 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 61 + HA LYS 61 OK 100 100 - 100 - 3.0=100 Peak 4583 from cnoeabs.peaks (1.03, 3.72, 59.63 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 61 + HA LYS 61 OK 100 100 - 100 - 4.1=100 Peak 4584 from cnoeabs.peaks (1.26, 3.72, 59.63 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 61 + HA LYS 61 OK 100 100 - 100 - 4.1=100 Peak 4585 from cnoeabs.peaks (1.17, 3.72, 59.63 ppm; 5.67 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 61 + HA LYS 61 OK 100 100 - 100 - 5.0=100 Peak 4586 from cnoeabs.peaks (1.10, 3.72, 59.63 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 61 + HA LYS 61 OK 100 100 - 100 - 5.0=100 Peak 4589 from cnoeabs.peaks (8.90, 1.52, 31.52 ppm; 4.97 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 3.7=100 Peak 4590 from cnoeabs.peaks (3.72, 1.52, 31.52 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 3.0=100 Peak 4591 from cnoeabs.peaks (1.52, 1.52, 31.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 61 + HB2 LYS 61 OK 100 100 - 100 Peak 4592 from cnoeabs.peaks (1.43, 1.52, 31.52 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 1.8=100 Peak 4593 from cnoeabs.peaks (1.03, 1.52, 31.52 ppm; 4.36 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 3.0=100 Peak 4594 from cnoeabs.peaks (1.26, 1.52, 31.52 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 3.0=100 Peak 4595 from cnoeabs.peaks (1.17, 1.52, 31.52 ppm; 5.13 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 3.7=100 Peak 4596 from cnoeabs.peaks (1.10, 1.52, 31.52 ppm; 4.98 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 61 + HB2 LYS 61 OK 100 100 - 100 - 3.7=100 Peak 4599 from cnoeabs.peaks (8.90, 1.43, 31.52 ppm; 4.96 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 61 + HB3 LYS 61 OK 100 100 - 100 - 3.7=100 Peak 4600 from cnoeabs.peaks (3.72, 1.43, 31.52 ppm; 4.41 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 61 + HB3 LYS 61 OK 100 100 - 100 - 3.0=100 Peak 4601 from cnoeabs.peaks (1.52, 1.43, 31.52 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 61 + HB3 LYS 61 OK 100 100 - 100 - 1.8=100 Peak 4602 from cnoeabs.peaks (1.43, 1.43, 31.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 61 + HB3 LYS 61 OK 100 100 - 100 Peak 4603 from cnoeabs.peaks (1.03, 1.43, 31.52 ppm; 4.39 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 61 + HB3 LYS 61 OK 100 100 - 100 - 3.0=100 Peak 4604 from cnoeabs.peaks (1.26, 1.43, 31.52 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 61 + HB3 LYS 61 OK 100 100 - 100 - 3.0=100 Peak 4605 from cnoeabs.peaks (1.17, 1.43, 31.52 ppm; 5.18 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 61 + HB3 LYS 61 OK 100 100 - 100 - 3.7=100 Peak 4606 from cnoeabs.peaks (1.10, 1.43, 31.52 ppm; 4.98 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 61 + HB3 LYS 61 OK 100 100 - 100 - 3.7=100 Peak 4609 from cnoeabs.peaks (8.90, 1.03, 24.91 ppm; 5.29 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 61 + HG2 LYS 61 OK 100 100 - 100 - 4.8=100 Peak 4610 from cnoeabs.peaks (3.72, 1.03, 24.91 ppm; 5.22 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 61 + HG2 LYS 61 OK 100 100 - 100 - 4.1=100 Peak 4611 from cnoeabs.peaks (1.52, 1.03, 24.91 ppm; 4.20 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 61 + HG2 LYS 61 OK 100 100 - 100 - 3.0=100 Peak 4612 from cnoeabs.peaks (1.43, 1.03, 24.91 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 61 + HG2 LYS 61 OK 100 100 - 100 - 3.0=100 Peak 4613 from cnoeabs.peaks (1.03, 1.03, 24.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 61 + HG2 LYS 61 OK 100 100 - 100 Peak 4614 from cnoeabs.peaks (1.26, 1.03, 24.91 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 61 + HG2 LYS 61 OK 100 100 - 100 - 1.8=100 Peak 4615 from cnoeabs.peaks (1.17, 1.03, 24.91 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 61 + HG2 LYS 61 OK 100 100 - 100 - 3.0=100 Peak 4616 from cnoeabs.peaks (1.10, 1.03, 24.91 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 61 + HG2 LYS 61 OK 100 100 - 100 - 3.0=100 Peak 4617 from cnoeabs.peaks (2.69, 1.03, 24.91 ppm; 5.06 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 61 + HG2 LYS 61 OK 100 100 - 100 - 3.8=100 HE3 LYS 61 + HG2 LYS 61 OK 87 87 - 100 - 3.8=100 Peak 4618 from cnoeabs.peaks (2.67, 1.03, 24.91 ppm; 5.09 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 61 + HG2 LYS 61 OK 100 100 - 100 - 3.8=100 HE2 LYS 61 + HG2 LYS 61 OK 87 87 - 100 - 3.8=100 Peak 4619 from cnoeabs.peaks (8.90, 1.26, 24.91 ppm; 5.41 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 61 + HG3 LYS 61 OK 100 100 - 100 - 4.8=100 Peak 4620 from cnoeabs.peaks (3.72, 1.26, 24.91 ppm; 5.06 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 61 + HG3 LYS 61 OK 100 100 - 100 - 4.1=100 Peak 4621 from cnoeabs.peaks (1.52, 1.26, 24.91 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 61 + HG3 LYS 61 OK 100 100 - 100 - 3.0=100 Peak 4622 from cnoeabs.peaks (1.43, 1.26, 24.91 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 61 + HG3 LYS 61 OK 100 100 - 100 - 3.0=100 Peak 4623 from cnoeabs.peaks (1.03, 1.26, 24.91 ppm; 3.41 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 61 + HG3 LYS 61 OK 100 100 - 100 - 1.8=100 Peak 4624 from cnoeabs.peaks (1.26, 1.26, 24.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 61 + HG3 LYS 61 OK 100 100 - 100 Peak 4625 from cnoeabs.peaks (1.17, 1.26, 24.91 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 61 + HG3 LYS 61 OK 100 100 - 100 - 3.0=100 Peak 4626 from cnoeabs.peaks (1.10, 1.26, 24.91 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 61 + HG3 LYS 61 OK 100 100 - 100 - 3.0=100 Peak 4627 from cnoeabs.peaks (2.69, 1.26, 24.91 ppm; 5.06 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 61 + HG3 LYS 61 OK 100 100 - 100 - 3.8=100 HE3 LYS 61 + HG3 LYS 61 OK 87 87 - 100 - 3.8=100 Peak 4628 from cnoeabs.peaks (2.67, 1.26, 24.91 ppm; 5.09 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 61 + HG3 LYS 61 OK 100 100 - 100 - 3.8=100 HE2 LYS 61 + HG3 LYS 61 OK 87 87 - 100 - 3.8=100 Peak 4630 from cnoeabs.peaks (3.72, 1.17, 28.78 ppm; 5.20 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 61 + HD2 LYS 61 OK 100 100 - 100 - 5.0=100 Peak 4631 from cnoeabs.peaks (1.52, 1.17, 28.78 ppm; 4.57 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 61 + HD2 LYS 61 OK 100 100 - 100 - 3.7=100 Peak 4632 from cnoeabs.peaks (1.43, 1.17, 28.78 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 61 + HD2 LYS 61 OK 100 100 - 100 - 3.7=100 Peak 4633 from cnoeabs.peaks (1.03, 1.17, 28.78 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 61 + HD2 LYS 61 OK 100 100 - 100 - 3.0=100 Peak 4634 from cnoeabs.peaks (1.26, 1.17, 28.78 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 61 + HD2 LYS 61 OK 100 100 - 100 - 3.0=100 Peak 4635 from cnoeabs.peaks (1.17, 1.17, 28.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 61 + HD2 LYS 61 OK 100 100 - 100 Peak 4636 from cnoeabs.peaks (1.10, 1.17, 28.78 ppm; 2.98 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 61 + HD2 LYS 61 OK 100 100 - 100 - 1.8=100 Peak 4637 from cnoeabs.peaks (2.69, 1.17, 28.78 ppm; 4.11 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 61 + HD2 LYS 61 OK 100 100 - 100 - 3.0=100 HE3 LYS 61 + HD2 LYS 61 OK 87 87 - 100 - 3.0=100 Peak 4638 from cnoeabs.peaks (2.67, 1.17, 28.78 ppm; 4.11 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 61 + HD2 LYS 61 OK 100 100 - 100 - 3.0=100 HE2 LYS 61 + HD2 LYS 61 OK 87 87 - 100 - 3.0=100 Peak 4640 from cnoeabs.peaks (3.72, 1.10, 28.78 ppm; 5.12 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 61 + HD3 LYS 61 OK 100 100 - 100 - 5.0=100 Peak 4641 from cnoeabs.peaks (1.52, 1.10, 28.78 ppm; 4.43 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 61 + HD3 LYS 61 OK 100 100 - 100 - 3.7=100 Peak 4642 from cnoeabs.peaks (1.43, 1.10, 28.78 ppm; 4.35 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 61 + HD3 LYS 61 OK 100 100 - 100 - 3.7=100 Peak 4643 from cnoeabs.peaks (1.03, 1.10, 28.78 ppm; 3.44 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 61 + HD3 LYS 61 OK 100 100 - 100 - 3.0=100 Peak 4644 from cnoeabs.peaks (1.26, 1.10, 28.78 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 61 + HD3 LYS 61 OK 100 100 - 100 - 3.0=100 Peak 4645 from cnoeabs.peaks (1.17, 1.10, 28.78 ppm; 2.92 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 61 + HD3 LYS 61 OK 100 100 - 100 - 1.8=100 Peak 4646 from cnoeabs.peaks (1.10, 1.10, 28.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 61 + HD3 LYS 61 OK 100 100 - 100 Peak 4647 from cnoeabs.peaks (2.69, 1.10, 28.78 ppm; 4.15 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 61 + HD3 LYS 61 OK 100 100 - 100 - 3.0=100 HE3 LYS 61 + HD3 LYS 61 OK 87 87 - 100 - 3.0=100 Peak 4648 from cnoeabs.peaks (2.67, 1.10, 28.78 ppm; 4.15 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 61 + HD3 LYS 61 OK 100 100 - 100 - 3.0=100 HE2 LYS 61 + HD3 LYS 61 OK 87 87 - 100 - 3.0=100 Peak 4652 from cnoeabs.peaks (1.43, 2.69, 41.78 ppm; 5.31 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 61 + HE2 LYS 61 OK 100 100 - 100 - 4.9=100 HB3 LYS 61 + HE3 LYS 61 OK 73 73 - 100 - 4.9=100 Peak 4653 from cnoeabs.peaks (1.03, 2.69, 41.78 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 61 + HE2 LYS 61 OK 100 100 - 100 - 3.8=100 HG2 LYS 61 + HE3 LYS 61 OK 73 73 - 100 - 3.8=100 Peak 4654 from cnoeabs.peaks (1.26, 2.69, 41.78 ppm; 5.26 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 61 + HE2 LYS 61 OK 100 100 - 100 - 3.8=100 HG3 LYS 61 + HE3 LYS 61 OK 73 73 - 100 - 3.8=100 Peak 4655 from cnoeabs.peaks (1.17, 2.69, 41.78 ppm; 5.44 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 61 + HE2 LYS 61 OK 100 100 - 100 - 3.0=100 HD2 LYS 61 + HE3 LYS 61 OK 73 73 - 100 - 3.0=100 Peak 4656 from cnoeabs.peaks (1.10, 2.69, 41.78 ppm; 3.90 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 61 + HE2 LYS 61 OK 100 100 - 100 - 3.0=100 HD3 LYS 61 + HE3 LYS 61 OK 73 73 - 100 - 3.0=100 Peak 4657 from cnoeabs.peaks (2.69, 2.69, 41.78 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HE2 LYS 61 + HE2 LYS 61 OK 100 100 - 100 HE3 LYS 61 + HE3 LYS 61 OK 57 57 - 100 HE2 LYS 19 + HE2 LYS 19 OK 50 50 - 100 HE3 LYS 19 + HE3 LYS 19 OK 50 50 - 100 Peak 4658 from cnoeabs.peaks (2.67, 2.69, 41.78 ppm; diagonal): 2 out of 2 assignments used, quality = 0.97: HE2 LYS 61 + HE2 LYS 61 OK 87 87 - 100 HE3 LYS 61 + HE3 LYS 61 OK 73 73 - 100 Reference assignment not found: HE3 LYS 61 - HE2 LYS 61 Peak 4663 from cnoeabs.peaks (1.03, 2.67, 41.78 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 61 + HE3 LYS 61 OK 100 100 - 100 - 3.8=100 HG2 LYS 61 + HE2 LYS 61 OK 73 73 - 100 - 3.8=100 Peak 4664 from cnoeabs.peaks (1.26, 2.67, 41.78 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 61 + HE3 LYS 61 OK 100 100 - 100 - 3.8=100 HG3 LYS 61 + HE2 LYS 61 OK 73 73 - 100 - 3.8=100 Peak 4665 from cnoeabs.peaks (1.17, 2.67, 41.78 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 61 + HE3 LYS 61 OK 100 100 - 100 - 3.0=100 HD2 LYS 61 + HE2 LYS 61 OK 73 73 - 100 - 3.0=100 Peak 4666 from cnoeabs.peaks (1.10, 2.67, 41.78 ppm; 4.32 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 61 + HE3 LYS 61 OK 100 100 - 100 - 3.0=100 HD3 LYS 61 + HE2 LYS 61 OK 73 73 - 100 - 3.0=100 Peak 4667 from cnoeabs.peaks (2.69, 2.67, 41.78 ppm; diagonal): 2 out of 2 assignments used, quality = 0.97: HE3 LYS 61 + HE3 LYS 61 OK 87 87 - 100 HE2 LYS 61 + HE2 LYS 61 OK 73 73 - 100 Reference assignment not found: HE2 LYS 61 - HE3 LYS 61 Peak 4668 from cnoeabs.peaks (2.67, 2.67, 41.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 61 + HE3 LYS 61 OK 100 100 - 100 HE2 LYS 61 + HE2 LYS 61 OK 57 57 - 100 Peak 4669 from cnoeabs.peaks (8.43, 4.11, 58.30 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 62 + HA GLN 62 OK 100 100 - 100 - 2.9=100 Peak 4670 from cnoeabs.peaks (4.11, 4.11, 58.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 62 + HA GLN 62 OK 100 100 - 100 Peak 4671 from cnoeabs.peaks (2.17, 4.11, 58.30 ppm; 3.09 A): 2 out of 2 assignments used, quality = 1.00: HB3 GLN 62 + HA GLN 62 OK 100 100 - 100 - 3.0=100 * HB2 GLN 62 + HA GLN 62 OK 100 100 - 100 - 3.0=100 Peak 4672 from cnoeabs.peaks (2.17, 4.11, 58.30 ppm; 3.09 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLN 62 + HA GLN 62 OK 100 100 - 100 - 3.0=100 HB2 GLN 62 + HA GLN 62 OK 100 100 - 100 - 3.0=100 Peak 4673 from cnoeabs.peaks (2.41, 4.11, 58.30 ppm; 3.58 A): 2 out of 9 assignments used, quality = 1.00: * HG2 GLN 62 + HA GLN 62 OK 93 100 - 93 - 3.9=78, 1.8/4694=13...(21) HG3 GLN 62 + HA GLN 62 OK 93 100 - 93 - 3.9=78, 1.8/4694=13...(21) HG2 GLN 85 - HA GLN 62 OK 24 98 - 24 - 4702=4, 1.8/4702=3...(9) HG3 GLN 85 - HA GLN 62 OK 23 96 - 24 - 4702=4, 1.8/4702=3...(9) HG3 MET 67 - HA GLN 62 lone 2 65 - 4 - 381/3.6=1, 1436/8108=1 HG2 GLN 122 - HA GLN 62 lone 2 97 - 2 - HB2 ASP 110 - HA GLN 62 lone 1 100 - 1 - HG2 GLU 91 - HA GLN 62 lone 1 99 - 1 - HG2 MET 1 - HA GLN 62 lone 0 73 - 0 - Peak 4674 from cnoeabs.peaks (2.41, 4.11, 58.30 ppm; 3.58 A): 2 out of 9 assignments used, quality = 1.00: HG2 GLN 62 + HA GLN 62 OK 93 100 - 93 - 3.9=78, 1.8/4694=13...(21) * HG3 GLN 62 + HA GLN 62 OK 93 100 - 93 - 3.9=78, 1.8/4694=13...(21) HG2 GLN 85 - HA GLN 62 OK 24 99 - 24 - 4702=4, 1.8/4702=3...(9) HG3 GLN 85 - HA GLN 62 OK 24 97 - 24 - 4702=4, 1.8/4702=3...(9) HG3 MET 67 - HA GLN 62 lone 3 70 - 4 - 381/3.6=1, 1436/8108=1 HG2 GLN 122 - HA GLN 62 lone 2 98 - 2 - HB2 ASP 110 - HA GLN 62 lone 1 99 - 1 - HG2 GLU 91 - HA GLN 62 lone 1 99 - 1 - HG2 MET 1 - HA GLN 62 lone 0 70 - 0 - Peak 4675 from cnoeabs.peaks (7.85, 4.11, 58.30 ppm; 5.03 A): 1 out of 7 assignments used, quality = 0.79: * HE21 GLN 62 + HA GLN 62 OK 79 100 - 79 - 5.7=67, 952/3.9=20, 952/3.9=20 H LYS 39 - HA GLN 62 poor 9 65 - 14 - 4.9/10935=7, 4.0/8104=3 H ILE 97 - HA GLN 62 lone 2 73 - 2 - H TYR 27 - HA GLN 62 lone 1 100 - 1 - H ASP 60 - HA GLN 62 lone 1 92 - 1 - H SER 126 - HA GLN 62 lone 1 81 - 1 - H VAL 78 - HA GLN 62 lone 1 70 - 1 - Peak 4677 from cnoeabs.peaks (8.43, 2.17, 27.45 ppm; 3.67 A): 2 out of 10 assignments used, quality = 0.99: * H GLN 62 + HB2 GLN 62 OK 89 100 - 89 - 4.0=74, 1402/1.8=21...(9) H GLN 62 + HB3 GLN 62 OK 89 100 - 89 - 4.0=74, 1402/1.8=21...(9) H VAL 32 - HB2 GLN 62 lone 4 97 - 4 - 376/4.6=1 H VAL 32 - HB3 GLN 62 lone 4 97 - 4 - 376/4.6=1 H GLN 83 - HB3 GLN 62 lone 2 100 - 2 - 376/4.6=1 H GLN 83 - HB2 GLN 62 lone 2 100 - 2 - 376/4.6=1 H ASN 10 - HB3 GLN 62 lone 1 98 - 1 - H ASN 10 - HB2 GLN 62 lone 1 98 - 1 - H ILE 3 - HB3 GLN 62 lone 1 92 - 1 - H ILE 3 - HB2 GLN 62 lone 1 92 - 1 - Peak 4678 from cnoeabs.peaks (4.11, 2.17, 27.45 ppm; 3.51 A): 2 out of 2 assignments used, quality = 1.00: HA GLN 62 + HB3 GLN 62 OK 100 100 - 100 - 3.0=100 * HA GLN 62 + HB2 GLN 62 OK 100 100 - 100 - 3.0=100 Peak 4679 from cnoeabs.peaks (2.17, 2.17, 27.45 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 GLN 62 + HB3 GLN 62 OK 100 100 - 100 * HB2 GLN 62 + HB2 GLN 62 OK 100 100 - 100 Peak 4680 from cnoeabs.peaks (2.17, 2.17, 27.45 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 GLN 62 + HB3 GLN 62 OK 100 100 - 100 HB2 GLN 62 + HB2 GLN 62 OK 100 100 - 100 Reference assignment not found: HB3 GLN 62 - HB2 GLN 62 Peak 4681 from cnoeabs.peaks (2.41, 2.17, 27.45 ppm; 3.19 A): 4 out of 4 assignments used, quality = 1.00: HG2 GLN 62 + HB3 GLN 62 OK 100 100 - 100 - 3.0=100 * HG2 GLN 62 + HB2 GLN 62 OK 100 100 - 100 - 3.0=100 HG3 GLN 62 + HB3 GLN 62 OK 100 100 - 100 - 3.0=100 HG3 GLN 62 + HB2 GLN 62 OK 100 100 - 100 - 3.0=100 Peak 4682 from cnoeabs.peaks (2.41, 2.17, 27.45 ppm; 3.19 A): 4 out of 4 assignments used, quality = 1.00: * HG3 GLN 62 + HB2 GLN 62 OK 100 100 - 100 - 3.0=100 HG3 GLN 62 + HB3 GLN 62 OK 100 100 - 100 - 3.0=100 HG2 GLN 62 + HB2 GLN 62 OK 100 100 - 100 - 3.0=100 HG2 GLN 62 + HB3 GLN 62 OK 100 100 - 100 - 3.0=100 Peak 4685 from cnoeabs.peaks (8.43, 2.17, 27.45 ppm; 3.67 A): 2 out of 10 assignments used, quality = 0.99: H GLN 62 + HB2 GLN 62 OK 89 100 - 89 - 4.0=74, 1402/1.8=21...(9) * H GLN 62 + HB3 GLN 62 OK 89 100 - 89 - 4.0=74, 1402/1.8=21...(9) H VAL 32 - HB2 GLN 62 lone 4 97 - 4 - 376/4.6=1 H VAL 32 - HB3 GLN 62 lone 4 97 - 4 - 376/4.6=1 H GLN 83 - HB3 GLN 62 lone 2 100 - 2 - 376/4.6=1 H GLN 83 - HB2 GLN 62 lone 2 100 - 2 - 376/4.6=1 H ASN 10 - HB3 GLN 62 lone 1 98 - 1 - H ASN 10 - HB2 GLN 62 lone 1 98 - 1 - H ILE 3 - HB3 GLN 62 lone 1 92 - 1 - H ILE 3 - HB2 GLN 62 lone 1 92 - 1 - Peak 4686 from cnoeabs.peaks (4.11, 2.17, 27.45 ppm; 3.51 A): 2 out of 2 assignments used, quality = 1.00: * HA GLN 62 + HB3 GLN 62 OK 100 100 - 100 - 3.0=100 HA GLN 62 + HB2 GLN 62 OK 100 100 - 100 - 3.0=100 Peak 4687 from cnoeabs.peaks (2.17, 2.17, 27.45 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 GLN 62 + HB3 GLN 62 OK 100 100 - 100 HB2 GLN 62 + HB2 GLN 62 OK 100 100 - 100 Reference assignment not found: HB2 GLN 62 - HB3 GLN 62 Peak 4688 from cnoeabs.peaks (2.17, 2.17, 27.45 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 GLN 62 + HB3 GLN 62 OK 100 100 - 100 HB2 GLN 62 + HB2 GLN 62 OK 100 100 - 100 Peak 4689 from cnoeabs.peaks (2.41, 2.17, 27.45 ppm; 3.19 A): 4 out of 4 assignments used, quality = 1.00: * HG2 GLN 62 + HB3 GLN 62 OK 100 100 - 100 - 3.0=100 HG2 GLN 62 + HB2 GLN 62 OK 100 100 - 100 - 3.0=100 HG3 GLN 62 + HB3 GLN 62 OK 100 100 - 100 - 3.0=100 HG3 GLN 62 + HB2 GLN 62 OK 100 100 - 100 - 3.0=100 Peak 4690 from cnoeabs.peaks (2.41, 2.17, 27.45 ppm; 3.19 A): 4 out of 4 assignments used, quality = 1.00: HG3 GLN 62 + HB2 GLN 62 OK 100 100 - 100 - 3.0=100 * HG3 GLN 62 + HB3 GLN 62 OK 100 100 - 100 - 3.0=100 HG2 GLN 62 + HB2 GLN 62 OK 100 100 - 100 - 3.0=100 HG2 GLN 62 + HB3 GLN 62 OK 100 100 - 100 - 3.0=100 Peak 4693 from cnoeabs.peaks (8.43, 2.41, 33.72 ppm; 3.85 A): 2 out of 25 assignments used, quality = 0.96: * H GLN 62 + HG2 GLN 62 OK 80 100 - 80 - 5.2=41, 1403/3.0=17...(11) H GLN 62 + HG3 GLN 62 OK 80 100 - 80 - 5.2=41, 1403/3.0=17...(11) H GLN 62 - HG2 GLN 85 OK 23 96 - 25 - 1405=5, 1405/1.8=4...(10) H GLN 62 - HG3 GLN 85 OK 22 90 - 25 - 1405=5, 1405/1.8=4...(10) H VAL 32 - HG3 GLN 62 lone 3 97 - 3 - H VAL 32 - HG2 GLN 62 lone 3 97 - 3 - H VAL 32 - HG2 GLN 85 lone 2 90 - 2 - H VAL 32 - HG3 GLN 85 lone 2 85 - 2 - H GLN 83 - HG3 GLN 62 lone 1 100 - 1 - H GLN 83 - HG2 GLN 62 lone 1 100 - 1 - H ASN 10 - HG3 GLN 62 lone 1 98 - 1 - H ASN 10 - HG2 GLN 62 lone 1 98 - 1 - H ILE 3 - HG2 GLN 85 lone 1 84 - 1 - H GLN 62 - HG2 GLN 122 lone 1 74 - 1 - H ILE 3 - HG3 GLN 62 lone 1 92 - 1 - H ILE 3 - HG2 GLN 62 lone 1 92 - 1 - H GLN 83 - HG2 GLN 85 lone 1 95 - 1 - H ILE 3 - HG3 GLN 85 lone 1 78 - 1 - H ILE 3 - HG2 GLN 122 lone 1 62 - 2 - 4.9/9012=1 H GLN 83 - HG3 GLN 85 lone 1 89 - 1 - H ASN 10 - HG2 GLN 85 lone 1 92 - 1 - H VAL 32 - HG2 GLN 122 lone 1 68 - 1 - H ASN 10 - HG3 GLN 85 lone 1 86 - 1 - H ASN 10 - HG2 GLN 122 lone 0 69 - 1 - H GLN 83 - HG2 GLN 122 lone 0 73 - 0 - Peak 4694 from cnoeabs.peaks (4.11, 2.41, 33.72 ppm; 3.48 A): 2 out of 35 assignments used, quality = 0.99: * HA GLN 62 + HG2 GLN 62 OK 91 100 - 91 - 3.9=72, 4673/1.8=13...(21) HA GLN 62 + HG3 GLN 62 OK 91 100 - 91 - 3.9=72, 4673/1.8=13...(21) HA GLN 62 - HG2 GLN 85 OK 23 96 - 24 - 4674=5, 4674/1.8=3...(9) HA GLN 62 - HG3 GLN 85 OK 21 90 - 24 - 4674=5, 4674/1.8=3...(9) HA ASP 110 - HG2 GLN 85 poor 10 84 - 12 - 3.0/1725=3, ~1725=2...(6) HA ASP 110 - HG3 GLN 85 poor 9 78 - 12 - 3.0/1725=3, ~1725=2...(6) HA ASP 110 - HG2 GLN 62 lone 2 92 - 2 - HA ASP 110 - HG3 GLN 62 lone 2 92 - 2 - HA GLN 62 - HG2 GLN 122 lone 1 74 - 2 - HA LYS 20 - HG2 GLN 62 lone 1 65 - 1 - HA LYS 20 - HG3 GLN 62 lone 1 65 - 1 - HA ASP 110 - HG2 GLN 122 lone 1 62 - 1 - HA MET 1 - HG3 GLN 62 lone 0 84 - 0 - HA MET 1 - HG2 GLN 85 lone 0 76 - 0 - HA MET 1 - HG2 GLN 62 lone 0 84 - 0 - HA LYS 43 - HG2 GLN 85 lone 0 62 - 1 - HA MET 1 - HG3 GLN 85 lone 0 70 - 0 - HA LYS 20 - HG2 GLN 85 lone 0 58 - 1 - HB2 SER 72 - HG2 GLN 85 lone 0 62 - 0 - HB3 SER 72 - HG2 GLN 85 lone 0 62 - 0 - HA LYS 43 - HG3 GLN 85 lone 0 57 - 1 - HB3 SER 72 - HG2 GLN 62 lone 0 70 - 0 - HB2 SER 72 - HG2 GLN 62 lone 0 70 - 0 - HB3 SER 72 - HG3 GLN 62 lone 0 69 - 0 - HB2 SER 72 - HG3 GLN 62 lone 0 69 - 0 - HA LYS 43 - HG2 GLN 62 lone 0 70 - 0 - HA LYS 43 - HG3 GLN 62 lone 0 69 - 0 - HB3 SER 72 - HG3 GLN 85 lone 0 57 - 0 - HB2 SER 72 - HG3 GLN 85 lone 0 57 - 0 - HA LYS 20 - HG3 GLN 85 lone 0 53 - 1 - HB2 SER 72 - HG2 GLN 122 lone 0 44 - 1 - HB3 SER 72 - HG2 GLN 122 lone 0 44 - 1 - HA MET 1 - HG2 GLN 122 lone 0 55 - 0 - HA LYS 20 - HG2 GLN 122 lone 0 41 - 0 - HA LYS 43 - HG2 GLN 122 lone 0 44 - 0 - Peak 4695 from cnoeabs.peaks (2.17, 2.41, 33.72 ppm; 2.68 A): 6 out of 30 assignments used, quality = 1.00: HB2 GLN 85 + HG2 GLN 85 OK 79 92 - 86 - 3.0=71, 5658/1.8=10...(21) * HB2 GLN 62 + HG2 GLN 62 OK 79 100 - 79 - 3.0=71, 3.0/4673=6...(9) HB3 GLN 62 + HG2 GLN 62 OK 79 100 - 79 - 3.0=71, 3.0/4673=6...(9) HB3 GLN 62 + HG3 GLN 62 OK 79 100 - 79 - 3.0=71, 3.0/4673=6...(9) HB2 GLN 62 + HG3 GLN 62 OK 79 100 - 79 - 3.0=71, 3.0/4673=6...(9) HB2 GLN 85 + HG3 GLN 85 OK 74 86 - 86 - 3.0=71, 5657/1.8=10...(21) HB2 GLN 85 - HG2 GLN 62 OK 14 98 - 14 - 5657=2, 5657/1.8=2...(5) HB2 GLN 85 - HG3 GLN 62 OK 14 98 - 14 - 5657=2, 5657/1.8=2...(5) HB2 GLN 62 - HG2 GLN 85 lone 9 96 - 9 - 3.0/4674=1, 4.0/1405=1 HB3 GLN 62 - HG2 GLN 85 lone 9 96 - 9 - 3.0/4674=1, 4.0/1405=1 HB2 GLN 62 - HG3 GLN 85 lone 8 90 - 9 - 3.0/4674=1, 4.0/1405=1 HB3 GLN 62 - HG3 GLN 85 lone 8 90 - 9 - 3.0/4674=1, 4.0/1405=1 HB2 GLU 98 - HG2 GLN 85 lone 6 79 - 8 - 5657=1 HB2 GLU 98 - HG3 GLN 85 lone 5 73 - 7 - 5657=1 HB2 GLN 85 - HG2 GLN 122 lone 1 69 - 2 - HB2 GLU 98 - HG2 GLN 62 lone 1 87 - 1 - HB2 GLU 98 - HG3 GLN 62 lone 1 87 - 1 - HB2 GLU 98 - HG2 GLN 122 lone 1 57 - 1 - HB3 GLU 37 - HG2 GLN 85 lone 1 89 - 1 - HB3 GLU 37 - HG3 GLN 85 lone 1 83 - 1 - HB3 GLU 13 - HG2 GLN 85 lone 0 90 - 1 - HB3 GLU 37 - HG3 GLN 62 lone 0 95 - 1 - HB3 GLU 37 - HG2 GLN 62 lone 0 96 - 1 - HB3 GLU 13 - HG3 GLN 85 lone 0 85 - 1 - HB2 GLN 62 - HG2 GLN 122 lone 0 74 - 1 - HB3 GLN 62 - HG2 GLN 122 lone 0 74 - 1 - HB3 GLU 13 - HG2 GLN 62 lone 0 97 - 0 - HB3 GLU 13 - HG3 GLN 62 lone 0 97 - 0 - HB3 GLU 13 - HG2 GLN 122 lone 0 68 - 0 - HB3 GLU 37 - HG2 GLN 122 lone 0 66 - 0 - Peak 4696 from cnoeabs.peaks (2.17, 2.41, 33.72 ppm; 2.68 A): 6 out of 30 assignments used, quality = 1.00: HB2 GLN 85 + HG2 GLN 85 OK 79 92 - 86 - 3.0=71, 5658/1.8=10...(21) HB2 GLN 62 + HG2 GLN 62 OK 79 100 - 79 - 3.0=71, 3.0/4673=6...(9) * HB3 GLN 62 + HG2 GLN 62 OK 79 100 - 79 - 3.0=71, 3.0/4673=6...(9) HB3 GLN 62 + HG3 GLN 62 OK 79 100 - 79 - 3.0=71, 3.0/4673=6...(9) HB2 GLN 62 + HG3 GLN 62 OK 79 100 - 79 - 3.0=71, 3.0/4673=6...(9) HB2 GLN 85 + HG3 GLN 85 OK 74 86 - 86 - 3.0=71, 5657/1.8=10...(21) HB2 GLN 85 - HG2 GLN 62 OK 14 98 - 14 - 5657=2, 5657/1.8=2...(5) HB2 GLN 85 - HG3 GLN 62 OK 14 98 - 14 - 5657=2, 5657/1.8=2...(5) HB2 GLN 62 - HG2 GLN 85 lone 9 96 - 9 - 3.0/4674=1, 4.0/1405=1 HB3 GLN 62 - HG2 GLN 85 lone 9 96 - 9 - 3.0/4674=1, 4.0/1405=1 HB2 GLN 62 - HG3 GLN 85 lone 8 90 - 9 - 3.0/4674=1, 4.0/1405=1 HB3 GLN 62 - HG3 GLN 85 lone 8 90 - 9 - 3.0/4674=1, 4.0/1405=1 HB2 GLU 98 - HG2 GLN 85 lone 6 79 - 8 - 5657=1 HB2 GLU 98 - HG3 GLN 85 lone 5 73 - 7 - 5657=1 HB2 GLN 85 - HG2 GLN 122 lone 1 69 - 2 - HB2 GLU 98 - HG2 GLN 62 lone 1 87 - 1 - HB2 GLU 98 - HG3 GLN 62 lone 1 87 - 1 - HB2 GLU 98 - HG2 GLN 122 lone 1 57 - 1 - HB3 GLU 37 - HG2 GLN 85 lone 1 89 - 1 - HB3 GLU 37 - HG3 GLN 85 lone 1 83 - 1 - HB3 GLU 13 - HG2 GLN 85 lone 0 90 - 1 - HB3 GLU 37 - HG3 GLN 62 lone 0 95 - 1 - HB3 GLU 37 - HG2 GLN 62 lone 0 96 - 1 - HB3 GLU 13 - HG3 GLN 85 lone 0 85 - 1 - HB2 GLN 62 - HG2 GLN 122 lone 0 74 - 1 - HB3 GLN 62 - HG2 GLN 122 lone 0 74 - 1 - HB3 GLU 13 - HG2 GLN 62 lone 0 97 - 0 - HB3 GLU 13 - HG3 GLN 62 lone 0 97 - 0 - HB3 GLU 13 - HG2 GLN 122 lone 0 68 - 0 - HB3 GLU 37 - HG2 GLN 122 lone 0 66 - 0 - Peak 4697 from cnoeabs.peaks (2.41, 2.41, 33.72 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG2 GLN 62 + HG2 GLN 62 OK 100 100 - 100 HG3 GLN 62 + HG3 GLN 62 OK 100 100 - 100 HG2 GLN 85 + HG2 GLN 85 OK 92 92 - 100 HG3 GLN 85 + HG3 GLN 85 OK 83 83 - 100 HG2 GLN 122 + HG2 GLN 122 OK 68 68 - 100 Peak 4698 from cnoeabs.peaks (2.41, 2.41, 33.72 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG2 GLN 62 + HG2 GLN 62 OK 100 100 - 100 HG3 GLN 62 + HG3 GLN 62 OK 100 100 - 100 HG2 GLN 85 + HG2 GLN 85 OK 93 93 - 100 HG3 GLN 85 + HG3 GLN 85 OK 85 85 - 100 HG2 GLN 122 + HG2 GLN 122 OK 69 69 - 100 Reference assignment not found: HG3 GLN 62 - HG2 GLN 62 Peak 4699 from cnoeabs.peaks (7.85, 2.41, 33.72 ppm; 4.00 A): 2 out of 2 assignments used, quality = 1.00: * HE21 GLN 62 + HG2 GLN 62 OK 100 100 - 100 - 3.5=100 HE21 GLN 62 + HG3 GLN 62 OK 100 100 - 100 - 3.5=100 Peak 4700 from cnoeabs.peaks (6.89, 2.41, 33.72 ppm; 4.04 A): 4 out of 4 assignments used, quality = 1.00: * HE22 GLN 62 + HG2 GLN 62 OK 100 100 - 100 - 3.5=100 HE22 GLN 62 + HG3 GLN 62 OK 100 100 - 100 - 3.5=100 HE22 GLN 85 + HG2 GLN 85 OK 93 93 - 100 - 3.5=100 HE22 GLN 85 + HG3 GLN 85 OK 87 87 - 100 - 3.5=100 Peak 4701 from cnoeabs.peaks (8.43, 2.41, 33.72 ppm; 3.85 A): 2 out of 25 assignments used, quality = 0.96: * H GLN 62 + HG3 GLN 62 OK 80 100 - 80 - 5.2=41, 1403/3.0=17...(11) H GLN 62 + HG2 GLN 62 OK 80 100 - 80 - 5.2=41, 1403/3.0=17...(11) H GLN 62 - HG2 GLN 85 OK 24 97 - 25 - 1405=5, 1405/1.8=4...(10) H GLN 62 - HG3 GLN 85 OK 23 93 - 25 - 1405=5, 1405/1.8=4...(10) H VAL 32 - HG3 GLN 62 lone 3 97 - 3 - H VAL 32 - HG2 GLN 62 lone 3 97 - 3 - H VAL 32 - HG2 GLN 85 lone 2 93 - 2 - H VAL 32 - HG3 GLN 85 lone 2 88 - 2 - H GLN 83 - HG3 GLN 62 lone 1 100 - 1 - H GLN 83 - HG2 GLN 62 lone 1 100 - 1 - H ASN 10 - HG3 GLN 62 lone 1 98 - 1 - H ASN 10 - HG2 GLN 62 lone 1 98 - 1 - H ILE 3 - HG2 GLN 85 lone 1 87 - 1 - H GLN 62 - HG2 GLN 122 lone 1 76 - 1 - H GLN 83 - HG2 GLN 85 lone 1 97 - 1 - H ILE 3 - HG3 GLN 85 lone 1 82 - 1 - H ILE 3 - HG3 GLN 62 lone 1 92 - 1 - H ILE 3 - HG2 GLN 62 lone 1 92 - 1 - H ILE 3 - HG2 GLN 122 lone 1 65 - 2 - 4.9/9012=1 H GLN 83 - HG3 GLN 85 lone 1 92 - 1 - H ASN 10 - HG2 GLN 85 lone 1 94 - 1 - H VAL 32 - HG2 GLN 122 lone 1 71 - 1 - H ASN 10 - HG3 GLN 85 lone 1 89 - 1 - H ASN 10 - HG2 GLN 122 lone 0 72 - 1 - H GLN 83 - HG2 GLN 122 lone 0 75 - 1 - Peak 4702 from cnoeabs.peaks (4.11, 2.41, 33.72 ppm; 3.48 A): 2 out of 35 assignments used, quality = 0.99: * HA GLN 62 + HG3 GLN 62 OK 91 100 - 91 - 3.9=72, 4673/1.8=13...(21) HA GLN 62 + HG2 GLN 62 OK 91 100 - 91 - 3.9=72, 4673/1.8=13...(21) HA GLN 62 - HG2 GLN 85 OK 23 97 - 24 - 4674=5, 4674/1.8=3...(9) HA GLN 62 - HG3 GLN 85 OK 22 93 - 24 - 4674=5, 4674/1.8=3...(9) HA ASP 110 - HG2 GLN 85 OK 10 87 - 12 - 3.0/1725=3, ~1725=2...(6) HA ASP 110 - HG3 GLN 85 poor 9 82 - 12 - 3.0/1725=3, ~1725=2...(6) HA ASP 110 - HG2 GLN 62 lone 2 92 - 2 - HA ASP 110 - HG3 GLN 62 lone 2 92 - 2 - HA GLN 62 - HG2 GLN 122 lone 1 76 - 2 - HA LYS 20 - HG3 GLN 62 lone 1 65 - 1 - HA LYS 20 - HG2 GLN 62 lone 1 65 - 1 - HA ASP 110 - HG2 GLN 122 lone 1 65 - 1 - HA MET 1 - HG2 GLN 85 lone 0 78 - 0 - HA MET 1 - HG3 GLN 62 lone 0 84 - 0 - HA MET 1 - HG2 GLN 62 lone 0 84 - 0 - HA MET 1 - HG3 GLN 85 lone 0 73 - 0 - HA LYS 43 - HG2 GLN 85 lone 0 64 - 1 - HA LYS 20 - HG2 GLN 85 lone 0 61 - 1 - HB3 SER 72 - HG2 GLN 85 lone 0 64 - 0 - HB2 SER 72 - HG2 GLN 85 lone 0 64 - 0 - HA LYS 43 - HG3 GLN 85 lone 0 60 - 1 - HB2 SER 72 - HG3 GLN 85 lone 0 60 - 0 - HB3 SER 72 - HG3 GLN 85 lone 0 60 - 0 - HB3 SER 72 - HG3 GLN 62 lone 0 70 - 0 - HB2 SER 72 - HG3 GLN 62 lone 0 70 - 0 - HB2 SER 72 - HG2 GLN 62 lone 0 69 - 0 - HB3 SER 72 - HG2 GLN 62 lone 0 69 - 0 - HA LYS 43 - HG3 GLN 62 lone 0 70 - 0 - HA LYS 43 - HG2 GLN 62 lone 0 69 - 0 - HA LYS 20 - HG3 GLN 85 lone 0 56 - 1 - HB2 SER 72 - HG2 GLN 122 lone 0 46 - 1 - HB3 SER 72 - HG2 GLN 122 lone 0 46 - 1 - HA MET 1 - HG2 GLN 122 lone 0 57 - 0 - HA LYS 20 - HG2 GLN 122 lone 0 43 - 0 - HA LYS 43 - HG2 GLN 122 lone 0 46 - 0 - Peak 4703 from cnoeabs.peaks (2.17, 2.41, 33.72 ppm; 2.68 A): 6 out of 30 assignments used, quality = 1.00: HB2 GLN 85 + HG2 GLN 85 OK 81 94 - 86 - 3.0=71, 5658/1.8=10...(21) * HB2 GLN 62 + HG3 GLN 62 OK 79 100 - 79 - 3.0=71, 3.0/4673=6...(9) HB3 GLN 62 + HG3 GLN 62 OK 79 100 - 79 - 3.0=71, 3.0/4673=6...(9) HB2 GLN 62 + HG2 GLN 62 OK 79 100 - 79 - 3.0=71, 3.0/4673=6...(9) HB3 GLN 62 + HG2 GLN 62 OK 79 100 - 79 - 3.0=71, 3.0/4673=6...(9) HB2 GLN 85 + HG3 GLN 85 OK 77 89 - 86 - 3.0=71, 5657/1.8=10...(21) HB2 GLN 85 - HG2 GLN 62 OK 14 98 - 14 - 5657=2, 5657/1.8=2...(5) HB2 GLN 85 - HG3 GLN 62 OK 14 98 - 14 - 5657=2, 5657/1.8=2...(5) HB2 GLN 62 - HG2 GLN 85 lone 9 97 - 9 - 3.0/4674=1, 4.0/1405=1 HB3 GLN 62 - HG2 GLN 85 lone 9 97 - 9 - 3.0/4674=1, 4.0/1405=1 HB3 GLN 62 - HG3 GLN 85 lone 9 93 - 9 - 3.0/4674=1, 4.0/1405=1 HB2 GLN 62 - HG3 GLN 85 lone 9 93 - 9 - 3.0/4674=1, 4.0/1405=1 HB2 GLU 98 - HG2 GLN 85 lone 6 82 - 8 - 5657=1 HB2 GLU 98 - HG3 GLN 85 lone 6 76 - 8 - 5657=1 HB2 GLN 85 - HG2 GLN 122 lone 1 72 - 2 - HB2 GLU 98 - HG3 GLN 62 lone 1 87 - 1 - HB2 GLU 98 - HG2 GLN 62 lone 1 87 - 1 - HB2 GLU 98 - HG2 GLN 122 lone 1 60 - 1 - HB3 GLU 37 - HG2 GLN 85 lone 1 91 - 1 - HB3 GLU 37 - HG3 GLN 85 lone 1 86 - 1 - HB3 GLU 13 - HG2 GLN 85 lone 1 93 - 1 - HB3 GLU 37 - HG3 GLN 62 lone 0 96 - 1 - HB3 GLU 37 - HG2 GLN 62 lone 0 95 - 1 - HB3 GLU 13 - HG3 GLN 85 lone 0 88 - 1 - HB2 GLN 62 - HG2 GLN 122 lone 0 76 - 1 - HB3 GLN 62 - HG2 GLN 122 lone 0 76 - 1 - HB3 GLU 13 - HG3 GLN 62 lone 0 97 - 0 - HB3 GLU 13 - HG2 GLN 62 lone 0 97 - 0 - HB3 GLU 13 - HG2 GLN 122 lone 0 71 - 0 - HB3 GLU 37 - HG2 GLN 122 lone 0 69 - 0 - Peak 4704 from cnoeabs.peaks (2.17, 2.41, 33.72 ppm; 2.68 A): 6 out of 30 assignments used, quality = 1.00: HB2 GLN 85 + HG2 GLN 85 OK 81 94 - 86 - 3.0=71, 5658/1.8=10...(21) HB2 GLN 62 + HG3 GLN 62 OK 79 100 - 79 - 3.0=71, 3.0/4673=6...(9) * HB3 GLN 62 + HG3 GLN 62 OK 79 100 - 79 - 3.0=71, 3.0/4673=6...(9) HB2 GLN 62 + HG2 GLN 62 OK 79 100 - 79 - 3.0=71, 3.0/4673=6...(9) HB3 GLN 62 + HG2 GLN 62 OK 79 100 - 79 - 3.0=71, 3.0/4673=6...(9) HB2 GLN 85 + HG3 GLN 85 OK 77 89 - 86 - 3.0=71, 5657/1.8=10...(21) HB2 GLN 85 - HG2 GLN 62 OK 14 98 - 14 - 5657=2, 5657/1.8=2...(5) HB2 GLN 85 - HG3 GLN 62 OK 14 98 - 14 - 5657=2, 5657/1.8=2...(5) HB2 GLN 62 - HG2 GLN 85 lone 9 97 - 9 - 3.0/4674=1, 4.0/1405=1 HB3 GLN 62 - HG2 GLN 85 lone 9 97 - 9 - 3.0/4674=1, 4.0/1405=1 HB3 GLN 62 - HG3 GLN 85 lone 9 93 - 9 - 3.0/4674=1, 4.0/1405=1 HB2 GLN 62 - HG3 GLN 85 lone 9 93 - 9 - 3.0/4674=1, 4.0/1405=1 HB2 GLU 98 - HG2 GLN 85 lone 6 82 - 8 - 5657=1 HB2 GLU 98 - HG3 GLN 85 lone 6 76 - 8 - 5657=1 HB2 GLN 85 - HG2 GLN 122 lone 1 72 - 2 - HB2 GLU 98 - HG3 GLN 62 lone 1 87 - 1 - HB2 GLU 98 - HG2 GLN 62 lone 1 87 - 1 - HB2 GLU 98 - HG2 GLN 122 lone 1 60 - 1 - HB3 GLU 37 - HG2 GLN 85 lone 1 91 - 1 - HB3 GLU 37 - HG3 GLN 85 lone 1 86 - 1 - HB3 GLU 13 - HG2 GLN 85 lone 1 93 - 1 - HB3 GLU 37 - HG3 GLN 62 lone 0 96 - 1 - HB3 GLU 37 - HG2 GLN 62 lone 0 95 - 1 - HB3 GLU 13 - HG3 GLN 85 lone 0 88 - 1 - HB2 GLN 62 - HG2 GLN 122 lone 0 76 - 1 - HB3 GLN 62 - HG2 GLN 122 lone 0 76 - 1 - HB3 GLU 13 - HG3 GLN 62 lone 0 97 - 0 - HB3 GLU 13 - HG2 GLN 62 lone 0 97 - 0 - HB3 GLU 13 - HG2 GLN 122 lone 0 71 - 0 - HB3 GLU 37 - HG2 GLN 122 lone 0 69 - 0 - Peak 4705 from cnoeabs.peaks (2.41, 2.41, 33.72 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG3 GLN 62 + HG3 GLN 62 OK 100 100 - 100 HG2 GLN 62 + HG2 GLN 62 OK 100 100 - 100 HG2 GLN 85 + HG2 GLN 85 OK 94 94 - 100 HG3 GLN 85 + HG3 GLN 85 OK 86 86 - 100 HG2 GLN 122 + HG2 GLN 122 OK 71 71 - 100 Reference assignment not found: HG2 GLN 62 - HG3 GLN 62 Peak 4706 from cnoeabs.peaks (2.41, 2.41, 33.72 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG3 GLN 62 + HG3 GLN 62 OK 100 100 - 100 HG2 GLN 62 + HG2 GLN 62 OK 100 100 - 100 HG2 GLN 85 + HG2 GLN 85 OK 95 95 - 100 HG3 GLN 85 + HG3 GLN 85 OK 88 88 - 100 HG2 GLN 122 + HG2 GLN 122 OK 72 72 - 100 Peak 4707 from cnoeabs.peaks (7.85, 2.41, 33.72 ppm; 4.00 A): 2 out of 2 assignments used, quality = 1.00: * HE21 GLN 62 + HG3 GLN 62 OK 100 100 - 100 - 3.5=100 HE21 GLN 62 + HG2 GLN 62 OK 100 100 - 100 - 3.5=100 Peak 4708 from cnoeabs.peaks (6.89, 2.41, 33.72 ppm; 4.04 A): 4 out of 4 assignments used, quality = 1.00: * HE22 GLN 62 + HG3 GLN 62 OK 100 100 - 100 - 3.5=100 HE22 GLN 62 + HG2 GLN 62 OK 100 100 - 100 - 3.5=100 HE22 GLN 85 + HG2 GLN 85 OK 95 95 - 100 - 3.5=100 HE22 GLN 85 + HG3 GLN 85 OK 91 91 - 100 - 3.5=100 Peak 4709 from cnoeabs.peaks (7.67, 4.13, 56.64 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 63 + HA LEU 63 OK 100 100 - 100 - 2.9=100 Peak 4710 from cnoeabs.peaks (4.13, 4.13, 56.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 63 + HA LEU 63 OK 100 100 - 100 Peak 4711 from cnoeabs.peaks (1.87, 4.13, 56.64 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 63 + HA LEU 63 OK 100 100 - 100 - 3.0=100 Peak 4712 from cnoeabs.peaks (1.43, 4.13, 56.64 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 63 + HA LEU 63 OK 100 100 - 100 - 3.0=100 Peak 4713 from cnoeabs.peaks (1.62, 4.13, 56.64 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 63 + HA LEU 63 OK 100 100 - 100 - 3.7=100 Peak 4714 from cnoeabs.peaks (0.71, 4.13, 56.64 ppm; 3.16 A): 4 out of 9 assignments used, quality = 0.87: * QD2 LEU 63 + HA LEU 63 OK 80 100 - 80 - 4.0=48, 2.1/4715=20...(15) QG2 ILE 56 + HA LEU 63 OK 14 77 - 18 - 10946/3.0=4, 3.2/11253=3...(7) QD1 LEU 6 + HA LEU 63 OK 12 98 - 12 - 2.1/4715=3, 389/3.6=2...(4) QG1 VAL 117 + HA LEU 63 OK 11 87 - 13 - 2.1/8111=2, 2.1/11252=2...(7) QD2 LEU 45 - HA LEU 63 lone 5 73 - 7 - 2.1/4715=2 QD2 LEU 81 - HA LEU 63 lone 4 100 - 4 - 389/3.6=2 QG2 ILE 18 - HA LEU 63 lone 3 94 - 3 - QD1 ILE 57 - HA LEU 63 lone 2 100 - 2 - QG2 VAL 78 - HA LEU 63 lone 1 73 - 2 - Peak 4715 from cnoeabs.peaks (0.74, 4.13, 56.64 ppm; 3.45 A): 2 out of 9 assignments used, quality = 0.92: * QD1 LEU 63 + HA LEU 63 OK 91 100 - 91 - 4.0=62, 2.1/4738=31...(13) QD2 LEU 6 + HA LEU 63 OK 13 98 - 13 - 390/3.6=3, 2.1/4714=3...(5) QD1 LEU 45 - HA LEU 63 lone 7 84 - 8 - 1414/2.9=2, 2.1/4714=1 QD2 LEU 45 - HA LEU 63 lone 5 73 - 6 - 4026=1 QG2 ILE 54 - HA LEU 63 lone 4 99 - 4 - 11708/11253=1 HG13 ILE 18 - HA LEU 63 lone 3 87 - 4 - QG2 ILE 7 - HA LEU 63 lone 2 100 - 2 - QD2 LEU 55 - HA LEU 63 lone 2 99 - 2 - QG2 VAL 78 - HA LEU 63 lone 2 73 - 2 - Peak 4716 from cnoeabs.peaks (7.67, 1.87, 40.89 ppm; 3.70 A): 1 out of 3 assignments used, quality = 0.94: * H LEU 63 + HB2 LEU 63 OK 94 100 - 94 - 4.0=77, 4723/1.8=24...(12) H GLU 21 - HB2 LEU 63 OK 20 98 - 21 - 4723/1.8=5, 4730/3.0=4...(6) HE ARG 118 - HB2 LEU 63 OK 17 99 - 18 - 4723/1.8=5, 4730/3.0=4...(5) Peak 4717 from cnoeabs.peaks (4.13, 1.87, 40.89 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 63 + HB2 LEU 63 OK 100 100 - 100 - 3.0=100 Peak 4718 from cnoeabs.peaks (1.87, 1.87, 40.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 63 + HB2 LEU 63 OK 100 100 - 100 Peak 4719 from cnoeabs.peaks (1.43, 1.87, 40.89 ppm; 3.13 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 63 + HB2 LEU 63 OK 100 100 - 100 - 1.8=100 Peak 4720 from cnoeabs.peaks (1.62, 1.87, 40.89 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 63 + HB2 LEU 63 OK 100 100 - 100 - 3.0=100 Peak 4721 from cnoeabs.peaks (0.71, 1.87, 40.89 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 63 + HB2 LEU 63 OK 100 100 - 100 - 3.1=100 Peak 4722 from cnoeabs.peaks (0.74, 1.87, 40.89 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 63 + HB2 LEU 63 OK 100 100 - 100 - 3.1=100 Peak 4723 from cnoeabs.peaks (7.67, 1.43, 40.89 ppm; 3.89 A): 1 out of 3 assignments used, quality = 0.98: * H LEU 63 + HB3 LEU 63 OK 98 100 - 98 - 4.0=89, 4716/1.8=28...(13) H GLU 21 - HB3 LEU 63 OK 22 98 - 22 - 4716/1.8=6, 4730/3.0=5...(5) HE ARG 118 - HB3 LEU 63 OK 19 99 - 19 - 4716/1.8=5, 4730/3.0=4...(5) Peak 4724 from cnoeabs.peaks (4.13, 1.43, 40.89 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 63 + HB3 LEU 63 OK 100 100 - 100 - 3.0=100 Peak 4725 from cnoeabs.peaks (1.87, 1.43, 40.89 ppm; 3.11 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 63 + HB3 LEU 63 OK 100 100 - 100 - 1.8=100 Peak 4726 from cnoeabs.peaks (1.43, 1.43, 40.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 63 + HB3 LEU 63 OK 100 100 - 100 Peak 4727 from cnoeabs.peaks (1.62, 1.43, 40.89 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 63 + HB3 LEU 63 OK 100 100 - 100 - 3.0=100 Peak 4728 from cnoeabs.peaks (0.71, 1.43, 40.89 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 63 + HB3 LEU 63 OK 100 100 - 100 - 3.1=100 Peak 4729 from cnoeabs.peaks (0.74, 1.43, 40.89 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 63 + HB3 LEU 63 OK 100 100 - 100 - 3.1=100 Peak 4730 from cnoeabs.peaks (7.67, 1.62, 26.77 ppm; 3.67 A): 3 out of 3 assignments used, quality = 0.89: * H LEU 63 + HG LEU 63 OK 85 100 - 85 - 5.1=37, 4716/3.0=20...(13) H GLU 21 + HG LEU 63 OK 17 98 - 18 - 4737/2.1=5, 4716/3.0=4...(4) HE ARG 118 + HG LEU 63 OK 16 99 - 16 - 4737/2.1=4, 4716/3.0=4...(4) Peak 4731 from cnoeabs.peaks (4.13, 1.62, 26.77 ppm; 4.68 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 63 + HG LEU 63 OK 100 100 - 100 - 3.7=100 Peak 4732 from cnoeabs.peaks (1.87, 1.62, 26.77 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 63 + HG LEU 63 OK 100 100 - 100 - 3.0=100 Peak 4733 from cnoeabs.peaks (1.43, 1.62, 26.77 ppm; 3.47 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 63 + HG LEU 63 OK 100 100 - 100 - 3.0=100 Peak 4734 from cnoeabs.peaks (1.62, 1.62, 26.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 63 + HG LEU 63 OK 100 100 - 100 Peak 4735 from cnoeabs.peaks (0.71, 1.62, 26.77 ppm; 3.25 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 63 + HG LEU 63 OK 100 100 - 100 - 2.1=100 Peak 4736 from cnoeabs.peaks (0.74, 1.62, 26.77 ppm; 3.21 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 63 + HG LEU 63 OK 100 100 - 100 - 2.1=100 Peak 4737 from cnoeabs.peaks (7.67, 0.71, 22.93 ppm; 4.20 A): 1 out of 3 assignments used, quality = 0.96: * H LEU 63 + QD2 LEU 63 OK 96 100 - 96 - 4.7=72, 2.9/4738=33...(11) H GLU 21 - QD2 LEU 63 OK 25 98 - 25 - 4730/2.1=6, 4716/3.1=5...(6) HE ARG 118 - QD2 LEU 63 OK 22 99 - 22 - 4730/2.1=6, 4716/3.1=4...(5) Peak 4738 from cnoeabs.peaks (4.13, 0.71, 22.93 ppm; 3.19 A): 1 out of 11 assignments used, quality = 0.81: * HA LEU 63 + QD2 LEU 63 OK 81 100 - 81 - 4.0=49, 4715/2.1=21...(15) HA LEU 45 - QD2 LEU 63 lone 7 81 - 8 - 3995/2.1=2, 3996=1...(4) HA VAL 22 - QD2 LEU 63 lone 2 100 - 2 - HA GLN 122 - QD2 LEU 63 lone 1 100 - 1 - HA MET 1 - QD2 LEU 63 lone 1 73 - 2 - HA ALA 124 - QD2 LEU 63 lone 1 92 - 1 - HA ARG 95 - QD2 LEU 63 lone 1 73 - 1 - HB2 SER 72 - QD2 LEU 63 lone 1 87 - 1 - HB3 SER 72 - QD2 LEU 63 lone 1 87 - 1 - HA GLU 89 - QD2 LEU 63 lone 1 84 - 1 - HA3 GLY 26 - QD2 LEU 63 lone 0 96 - 0 - Peak 4739 from cnoeabs.peaks (1.87, 0.71, 22.93 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 63 + QD2 LEU 63 OK 100 100 - 100 - 3.1=100 Peak 4740 from cnoeabs.peaks (1.43, 0.71, 22.93 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 63 + QD2 LEU 63 OK 100 100 - 100 - 3.1=100 Peak 4741 from cnoeabs.peaks (1.62, 0.71, 22.93 ppm; 3.14 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 63 + QD2 LEU 63 OK 100 100 - 100 - 2.1=100 Peak 4742 from cnoeabs.peaks (0.71, 0.71, 22.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 63 + QD2 LEU 63 OK 100 100 - 100 Peak 4743 from cnoeabs.peaks (0.74, 0.71, 22.93 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 63 + QD2 LEU 63 OK 100 100 - 100 - 2.1=100 Peak 4744 from cnoeabs.peaks (7.67, 0.74, 25.21 ppm; 4.62 A): 1 out of 9 assignments used, quality = 1.00: * H LEU 63 + QD1 LEU 63 OK 100 100 - 100 - 4.7=96, 4730/2.1=33...(14) H GLU 21 - QD1 LEU 63 OK 28 98 - 29 - 4737/2.1=7, 4730/2.1=7...(5) HE ARG 118 - QD1 LEU 63 OK 26 99 - 26 - 4737/2.1=6, 4730/2.1=6...(5) H LEU 63 - QD2 LEU 6 OK 21 84 - 25 - 1414=6, 4.6/390=5...(7) H LEU 63 - QD1 LEU 45 poor 6 36 - 18 - 1414=4, 2.9/4715=2...(9) H GLU 21 - QD2 LEU 6 lone 3 79 - 4 - HE ARG 118 - QD2 LEU 6 lone 1 81 - 2 - H GLU 21 - QD1 LEU 45 lone 1 33 - 3 - HE ARG 118 - QD1 LEU 45 lone 0 34 - 1 - Peak 4745 from cnoeabs.peaks (4.13, 0.74, 25.21 ppm; 4.18 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 63 + QD1 LEU 63 OK 100 100 - 100 - 4.0=100 HA LEU 45 - QD1 LEU 45 OK 24 24 - 100 - 4.0=100 Peak 4746 from cnoeabs.peaks (1.87, 0.74, 25.21 ppm; 3.14 A): 1 out of 2 assignments used, quality = 1.00: * HB2 LEU 63 + QD1 LEU 63 OK 100 100 - 100 - 3.1=100 HG LEU 45 - QD1 LEU 45 OK 28 28 - 100 - 2.1=100 Peak 4747 from cnoeabs.peaks (1.43, 0.74, 25.21 ppm; 2.91 A): 4 out of 33 assignments used, quality = 0.94: * HB3 LEU 63 + QD1 LEU 63 OK 88 100 - 88 - 3.1=80, 3.0/4715=13...(8) HG12 ILE 56 + QD1 LEU 63 OK 37 100 - 37 - 11706=11, 2.1/11707=7...(12) HG12 ILE 56 + QD2 LEU 6 OK 15 84 - 18 - 11706=5, 4.6/11559=4...(6) HB3 GLN 83 + QD1 LEU 63 OK 11 98 - 11 - 3.0/10013=4, 3.0/10011=2...(5) HB3 LYS 61 - QD1 LEU 63 lone 9 98 - 10 - 3.7/11264=2, 4.6/9665=2...(5) HB3 LEU 63 - QD2 LEU 6 lone 7 84 - 8 - 3.0/4715=2, 4.6/390=2 QB ALA 113 - QD1 LEU 63 lone 3 73 - 4 - HG LEU 80 - QD2 LEU 6 lone 3 58 - 5 - ~10954=2, ~10953=2 HB2 LEU 4 - QD2 LEU 6 lone 3 69 - 4 - HB3 LEU 4 - QD2 LEU 6 lone 3 69 - 4 - HB3 GLN 83 - QD2 LEU 6 lone 2 79 - 3 - HB2 LEU 4 - QD1 LEU 63 lone 2 90 - 2 - HB3 LEU 4 - QD1 LEU 63 lone 2 90 - 2 - HB3 GLN 83 - QD1 LEU 45 lone 2 33 - 6 - 3.0/10013=2 HB3 LEU 63 - QD1 LEU 45 lone 2 36 - 5 - HG12 ILE 56 - QD1 LEU 45 lone 2 36 - 5 - 11706=1, 2.1/11707=1 HG3 LYS 44 - QD1 LEU 45 lone 2 27 - 6 - 266/4.7=3 HG2 LYS 96 - QD1 LEU 63 lone 1 81 - 1 - HG3 LYS 17 - QD1 LEU 63 lone 1 100 - 1 - HB3 LYS 61 - QD2 LEU 6 lone 1 79 - 1 - HG LEU 80 - QD1 LEU 63 lone 1 77 - 1 - HG2 LYS 96 - QD1 LEU 45 lone 1 24 - 4 - 266/4.7=2 HG3 LYS 44 - QD1 LEU 63 lone 1 87 - 1 - HB3 LEU 4 - QD1 LEU 45 lone 1 28 - 2 - HB2 LEU 4 - QD1 LEU 45 lone 1 28 - 2 - HG3 LYS 17 - QD2 LEU 6 lone 1 83 - 1 - QB ALA 113 - QD2 LEU 6 lone 0 55 - 1 - HG2 LYS 96 - QD2 LEU 6 lone 0 61 - 1 - HG3 LYS 17 - QD1 LEU 45 lone 0 35 - 1 - HG3 LYS 44 - QD2 LEU 6 lone 0 67 - 0 - HB3 LYS 61 - QD1 LEU 45 lone 0 33 - 1 - QB ALA 113 - QD1 LEU 45 lone 0 21 - 1 - HG LEU 80 - QD1 LEU 45 lone 0 23 - 1 - Peak 4748 from cnoeabs.peaks (1.62, 0.74, 25.21 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 63 + QD1 LEU 63 OK 100 100 - 100 - 2.1=100 Peak 4749 from cnoeabs.peaks (0.71, 0.74, 25.21 ppm; 2.40 A): 2 out of 3 assignments used, quality = 1.00: * QD2 LEU 63 + QD1 LEU 63 OK 100 100 - 100 - 2.1=100 QD1 LEU 6 + QD2 LEU 6 OK 79 79 - 100 - 2.1=100 QD2 LEU 45 - QD1 LEU 45 OK 21 21 - 100 - 2.1=100 Peak 4750 from cnoeabs.peaks (0.74, 0.74, 25.21 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * QD1 LEU 63 + QD1 LEU 63 OK 100 100 - 100 QD2 LEU 6 + QD2 LEU 6 OK 79 79 - 100 QD1 LEU 45 - QD1 LEU 45 OK 25 25 - 100 Peak 4751 from cnoeabs.peaks (7.63, 3.91, 57.78 ppm; 4.39 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 64 + HA LEU 64 OK 100 100 - 100 - 2.9=100 Peak 4752 from cnoeabs.peaks (3.91, 3.91, 57.78 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA LEU 64 + HA LEU 64 OK 100 100 - 100 HA GLU 128 + HA GLU 128 OK 89 89 - 100 Peak 4753 from cnoeabs.peaks (1.79, 3.91, 57.78 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 64 + HA LEU 64 OK 100 100 - 100 - 3.0=100 Peak 4754 from cnoeabs.peaks (1.63, 3.91, 57.78 ppm; 3.71 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 64 + HA LEU 64 OK 100 100 - 100 - 3.0=100 HG LEU 64 + HA LEU 64 OK 84 84 - 100 - 3.7=100 Peak 4755 from cnoeabs.peaks (1.64, 3.91, 57.78 ppm; 3.71 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 64 + HA LEU 64 OK 100 100 - 100 - 3.7=100 HB3 LEU 64 + HA LEU 64 OK 84 84 - 100 - 3.0=100 Peak 4756 from cnoeabs.peaks (0.81, 3.91, 57.78 ppm; 3.40 A): 2 out of 14 assignments used, quality = 0.93: * QD1 LEU 64 + HA LEU 64 OK 92 100 - 92 - 3.8=72, 2.1/4787=28...(14) QD1 LEU 114 + HA LEU 64 OK 22 94 - 24 - 4780=6, 1420/2.9=5...(10) QG2 ILE 71 - HA LEU 64 lone 8 100 - 8 - 9775/9754=2, 396/3.6=2 QD2 LEU 82 - HA LEU 64 lone 4 90 - 5 - 2.1/4757=1, 1420/2.9=1 QD1 LEU 74 - HA LEU 64 lone 3 100 - 3 - QD1 LEU 64 - HA GLU 128 lone 3 89 - 3 - 4780=1 QD2 LEU 74 - HA LEU 64 lone 3 99 - 3 - QG2 ILE 71 - HA GLU 128 lone 1 88 - 1 - QD1 LEU 114 - HA GLU 128 lone 1 79 - 1 - QD1 LEU 74 - HA GLU 128 lone 1 88 - 1 - QD2 LEU 82 - HA GLU 128 lone 0 74 - 1 - QD2 LEU 74 - HA GLU 128 lone 0 86 - 1 - QG1 VAL 29 - HA LEU 64 lone 0 81 - 1 - QG1 VAL 29 - HA GLU 128 lone 0 66 - 0 - Peak 4757 from cnoeabs.peaks (0.78, 3.91, 57.78 ppm; 3.43 A): 2 out of 16 assignments used, quality = 0.93: * QD2 LEU 64 + HA LEU 64 OK 91 100 - 91 - 3.8=74, 2.1/4780=25...(15) QD1 LEU 81 + HA LEU 64 OK 21 98 - 22 - 11602/3.6=4, 11637/3.0=4...(10) QD2 LEU 80 - HA LEU 64 lone 7 97 - 7 - 9922/11053=3, 1421/2.9=1 QD1 LEU 82 - HA LEU 64 lone 5 99 - 5 - 1421/2.9=1, 2.1/4756=1 QD1 LEU 80 - HA LEU 64 lone 4 96 - 4 - QD1 ILE 7 - HA LEU 64 lone 3 73 - 4 - QD2 LEU 64 - HA GLU 128 lone 3 89 - 3 - 4787=1 QD2 LEU 80 - HA GLU 128 lone 2 83 - 2 - QD1 LEU 80 - HA GLU 128 lone 1 81 - 1 - QD1 LEU 81 - HA GLU 128 lone 1 85 - 1 - QD1 LEU 82 - HA GLU 128 lone 1 86 - 1 - QD1 ILE 15 - HA LEU 64 lone 0 61 - 1 - QD1 ILE 7 - HA GLU 128 lone 0 59 - 1 - QG1 VAL 29 - HA LEU 64 lone 0 70 - 1 - QD1 ILE 15 - HA GLU 128 lone 0 49 - 0 - QG1 VAL 29 - HA GLU 128 lone 0 56 - 0 - Peak 4758 from cnoeabs.peaks (7.63, 1.79, 41.35 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 64 + HB2 LEU 64 OK 100 100 - 100 - 3.6=100 Peak 4759 from cnoeabs.peaks (3.91, 1.79, 41.35 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 64 + HB2 LEU 64 OK 100 100 - 100 - 3.0=100 Peak 4760 from cnoeabs.peaks (1.79, 1.79, 41.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 64 + HB2 LEU 64 OK 100 100 - 100 Peak 4761 from cnoeabs.peaks (1.63, 1.79, 41.35 ppm; 3.07 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 64 + HB2 LEU 64 OK 100 100 - 100 - 1.8=100 HG LEU 64 + HB2 LEU 64 OK 84 84 - 100 - 3.0=100 Peak 4762 from cnoeabs.peaks (1.64, 1.79, 41.35 ppm; 3.07 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 64 + HB2 LEU 64 OK 100 100 - 100 - 3.0=100 HB3 LEU 64 + HB2 LEU 64 OK 84 84 - 100 - 1.8=100 Peak 4763 from cnoeabs.peaks (0.81, 1.79, 41.35 ppm; 3.45 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 64 + HB2 LEU 64 OK 100 100 - 100 - 3.1=100 Peak 4764 from cnoeabs.peaks (0.78, 1.79, 41.35 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 64 + HB2 LEU 64 OK 100 100 - 100 - 3.1=100 Peak 4765 from cnoeabs.peaks (7.63, 1.63, 41.35 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 64 + HB3 LEU 64 OK 100 100 - 100 - 3.6=100 Peak 4766 from cnoeabs.peaks (3.91, 1.63, 41.35 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 64 + HB3 LEU 64 OK 100 100 - 100 - 3.0=100 Peak 4767 from cnoeabs.peaks (1.79, 1.63, 41.35 ppm; 3.30 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 64 + HB3 LEU 64 OK 100 100 - 100 - 1.8=100 Peak 4768 from cnoeabs.peaks (1.63, 1.63, 41.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 64 + HB3 LEU 64 OK 100 100 - 100 Peak 4769 from cnoeabs.peaks (1.64, 1.63, 41.35 ppm; diagonal): 1 out of 1 assignment used, quality = 0.84: HB3 LEU 64 + HB3 LEU 64 OK 84 84 - 100 Reference assignment not found: HG LEU 64 - HB3 LEU 64 Peak 4770 from cnoeabs.peaks (0.81, 1.63, 41.35 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 64 + HB3 LEU 64 OK 100 100 - 100 - 3.1=100 Peak 4771 from cnoeabs.peaks (0.78, 1.63, 41.35 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 64 + HB3 LEU 64 OK 100 100 - 100 - 3.1=100 Peak 4772 from cnoeabs.peaks (7.63, 1.64, 26.77 ppm; 4.03 A): 2 out of 30 assignments used, quality = 0.95: * H LEU 64 + HG LEU 64 OK 91 100 - 91 - 5.2=48, 1421/2.1=27...(12) H LYS 115 + HG LEU 114 OK 44 77 - 58 - 721/3.0=14, 718/5.2=14...(9) H LEU 64 - HG LEU 114 OK 31 87 - 36 - 1420/2.1=8, 2083/3.7=6...(10) H LYS 115 - HG LEU 64 OK 23 94 - 25 - 4786/2.1=5, 723/2.1=5...(8) H GLU 69 - HG LEU 64 OK 18 100 - 18 - 4786/2.1=6, 4.9/11073=4...(4) H GLN 100 - HG LEU 114 OK 10 86 - 12 - 7883/3.0=2, 7886/2.1=2...(5) H GLU 69 - HG LEU 114 lone 7 87 - 8 - 423/3.0=2, 424/3.0=2...(4) H ALA 46 - HG LEU 64 lone 7 90 - 7 - ~9461=2, ~9455=2...(4) H LEU 64 - HG LEU 90 lone 6 99 - 6 - 4.6/5796=1, 1907/5.3=1 H LEU 74 - HG LEU 114 lone 4 54 - 7 - 7883/3.0=1, 7886/2.1=1 H GLN 100 - HG LEU 64 lone 4 100 - 4 - 4.7/7760=1 H ASP 34 - HG LEU 114 lone 3 75 - 3 - H LEU 74 - HG LEU 64 lone 3 70 - 4 - H LYS 115 - HG LEU 90 lone 2 92 - 3 - H ALA 46 - HG LEU 114 lone 2 72 - 3 - ~9461=1 H GLU 69 - HG LEU 90 lone 2 99 - 2 - H ASP 34 - HG LEU 64 lone 2 92 - 2 - HE21 GLN 85 - HG LEU 114 lone 2 86 - 2 - H GLN 100 - HG LEU 90 lone 2 99 - 2 - HE21 GLN 85 - HG LEU 64 lone 1 100 - 1 - HE21 GLN 85 - HG LEU 90 lone 1 99 - 1 - HD21 ASN 50 - HG LEU 64 lone 1 97 - 1 - HD21 ASN 50 - HG LEU 114 lone 1 81 - 1 - H ALA 46 - HG LEU 90 lone 1 88 - 1 - HD21 ASN 10 - HG LEU 64 lone 1 77 - 1 - H LEU 74 - HG LEU 90 lone 1 68 - 1 - H ASP 34 - HG LEU 90 lone 1 90 - 1 - HD21 ASN 50 - HG LEU 90 lone 1 96 - 1 - HD21 ASN 10 - HG LEU 90 lone 0 75 - 1 - HD21 ASN 10 - HG LEU 114 lone 0 61 - 1 - Peak 4773 from cnoeabs.peaks (3.91, 1.64, 26.77 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 64 + HG LEU 64 OK 100 100 - 100 - 3.7=100 Peak 4774 from cnoeabs.peaks (1.79, 1.64, 26.77 ppm; 3.09 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 64 + HG LEU 64 OK 100 100 - 100 - 3.0=100 HB2 LEU 90 + HG LEU 90 OK 82 82 - 100 - 3.0=100 Peak 4775 from cnoeabs.peaks (1.63, 1.64, 26.77 ppm; diagonal): 2 out of 2 assignments used, quality = 0.98: HG LEU 90 + HG LEU 90 OK 90 90 - 100 HG LEU 64 + HG LEU 64 OK 84 84 - 100 Reference assignment not found: HB3 LEU 64 - HG LEU 64 Peak 4776 from cnoeabs.peaks (1.64, 1.64, 26.77 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG LEU 64 + HG LEU 64 OK 100 100 - 100 HG LEU 90 + HG LEU 90 OK 99 99 - 100 HG LEU 114 + HG LEU 114 OK 77 77 - 100 Peak 4777 from cnoeabs.peaks (0.81, 1.64, 26.77 ppm; 2.96 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 64 + HG LEU 64 OK 100 100 - 100 - 2.1=100 QD1 LEU 114 + HG LEU 114 OK 77 77 - 100 - 2.1=100 Peak 4778 from cnoeabs.peaks (0.78, 1.64, 26.77 ppm; 2.95 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 64 + HG LEU 64 OK 100 100 - 100 - 2.1=100 Peak 4779 from cnoeabs.peaks (7.63, 0.81, 24.93 ppm; 4.20 A): 2 out of 20 assignments used, quality = 0.98: * H LEU 64 + QD1 LEU 64 OK 96 100 - 96 - 4.7=72, 1421/2.1=29...(10) H LYS 115 + QD1 LEU 114 OK 49 56 - 86 - 4.9=64, 718/4.5=20...(12) H LYS 115 - QD1 LEU 64 OK 31 94 - 33 - 723=6, 4786/2.1=6...(10) H GLU 69 - QD1 LEU 64 OK 30 100 - 30 - 4.9/11269=18, 4786/2.1=7...(6) H LEU 64 - QD1 LEU 114 OK 26 65 - 40 - 1420=10, 2083/3.9=6...(10) H ALA 46 - QD1 LEU 64 poor 9 90 - 10 - 2.9/9461=4, 3.0/9455=2 H GLN 100 - QD1 LEU 114 poor 9 64 - 13 - 1957/4.5=2, 7886/2.1=2...(6) H GLU 69 - QD1 LEU 114 lone 6 65 - 10 - 423/3.1=2, 424/3.1=2, 7886/2.1=1 H LEU 74 - QD1 LEU 64 lone 4 70 - 6 - 9827/11689=1 H LEU 74 - QD1 LEU 114 lone 4 38 - 9 - 7883/3.1=1, 7886/2.1=1 H GLN 100 - QD1 LEU 64 lone 3 100 - 3 - H ALA 46 - QD1 LEU 114 lone 2 52 - 4 - 2.9/9461=2 H ASP 34 - QD1 LEU 114 lone 2 54 - 4 - HE21 GLN 85 - QD1 LEU 64 lone 2 100 - 2 - H ASP 34 - QD1 LEU 64 lone 2 92 - 2 - HE21 GLN 85 - QD1 LEU 114 lone 1 65 - 2 - HD21 ASN 50 - QD1 LEU 64 lone 1 97 - 1 - HD21 ASN 10 - QD1 LEU 64 lone 1 77 - 1 - HD21 ASN 50 - QD1 LEU 114 lone 1 60 - 1 - HD21 ASN 10 - QD1 LEU 114 lone 0 43 - 1 - Peak 4780 from cnoeabs.peaks (3.91, 0.81, 24.93 ppm; 3.45 A): 2 out of 10 assignments used, quality = 0.94: * HA LEU 64 + QD1 LEU 64 OK 93 100 - 93 - 3.8=75, 4787/2.1=29...(14) HA LEU 64 + QD1 LEU 114 OK 17 65 - 26 - 4756=8, 2.9/1420=5...(10) HA ARG 118 - QD1 LEU 64 lone 6 81 - 7 - 4787/2.1=2 HA GLU 128 - QD1 LEU 64 lone 3 100 - 3 - 4756=1, 4787/2.1=1 HA ARG 118 - QD1 LEU 114 lone 3 45 - 6 - 6855/3.1=2 HA LEU 38 - QD1 LEU 64 lone 1 99 - 1 - HB2 SER 35 - QD1 LEU 64 lone 1 87 - 1 - HA GLU 128 - QD1 LEU 114 lone 0 65 - 1 - HA LEU 38 - QD1 LEU 114 lone 0 63 - 1 - HB2 SER 35 - QD1 LEU 114 lone 0 50 - 0 - Peak 4781 from cnoeabs.peaks (1.79, 0.81, 24.93 ppm; 3.09 A): 1 out of 20 assignments used, quality = 0.97: * HB2 LEU 64 + QD1 LEU 64 OK 97 100 - 97 - 3.1=95, 3.0/4780=16...(10) HB2 LYS 19 - QD1 LEU 64 OK 13 100 - 13 - 3.0/11520=4, 3.0/10784=3...(4) HB ILE 97 - QD1 LEU 64 OK 10 61 - 16 - 3.2/11269=4, ~11270=3...(7) HB2 LEU 64 - QD1 LEU 114 poor 10 65 - 15 - 3.0/4756=3, 3.6/1420=3...(5) HB2 ARG 118 - QD1 LEU 64 lone 5 92 - 5 - 393/4.7=2, 3.0/4780=1 HB VAL 32 - QD1 LEU 64 lone 4 84 - 5 - 1417/4.7=2, ~10931=2 HG2 ARG 105 - QD1 LEU 114 lone 3 40 - 8 - 11019=2, ~10277=2...(4) HG2 ARG 105 - QD1 LEU 64 lone 3 73 - 4 - HB2 LEU 90 - QD1 LEU 64 lone 2 84 - 2 - HB3 GLN 28 - QD1 LEU 114 lone 2 61 - 3 - HB2 LYS 19 - QD1 LEU 114 lone 2 65 - 2 - HB ILE 3 - QD1 LEU 64 lone 2 70 - 2 - HB2 ARG 118 - QD1 LEU 114 lone 1 54 - 2 - HG12 ILE 5 - QD1 LEU 114 lone 1 35 - 4 - ~11023=1 HB3 GLN 28 - QD1 LEU 64 lone 1 98 - 1 - HG12 ILE 5 - QD1 LEU 64 lone 1 65 - 1 - HB2 LEU 90 - QD1 LEU 114 lone 0 48 - 1 - HB VAL 32 - QD1 LEU 114 lone 0 48 - 1 - HB ILE 97 - QD1 LEU 114 lone 0 33 - 1 - HB ILE 3 - QD1 LEU 114 lone 0 38 - 0 - Peak 4782 from cnoeabs.peaks (1.63, 0.81, 24.93 ppm; 2.72 A): 1 out of 1 assignment used, quality = 0.84: HG LEU 64 + QD1 LEU 64 OK 84 84 - 100 - 2.1=100 Reference assignment not found: HB3 LEU 64 - QD1 LEU 64 Peak 4783 from cnoeabs.peaks (1.64, 0.81, 24.93 ppm; 2.72 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 64 + QD1 LEU 64 OK 100 100 - 100 - 2.1=100 HG LEU 114 + QD1 LEU 114 OK 56 56 - 100 - 2.1=100 Peak 4784 from cnoeabs.peaks (0.81, 0.81, 24.93 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 64 + QD1 LEU 64 OK 100 100 - 100 QD1 LEU 114 + QD1 LEU 114 OK 56 56 - 100 Peak 4785 from cnoeabs.peaks (0.78, 0.81, 24.93 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 64 + QD1 LEU 64 OK 100 100 - 100 - 2.1=100 Peak 4786 from cnoeabs.peaks (7.63, 0.78, 24.57 ppm; 4.27 A): 1 out of 10 assignments used, quality = 0.96: * H LEU 64 + QD2 LEU 64 OK 96 100 - 96 - 4.7=76, 2.9/4787=34...(10) H GLU 69 - QD2 LEU 64 OK 34 100 - 34 - 4.9/11270=15, 3.6/9759=7...(7) H LYS 115 - QD2 LEU 64 OK 28 94 - 30 - 3.0/10452=7, 723/2.1=5...(9) H ALA 46 - QD2 LEU 64 lone 7 90 - 8 - ~9461=3, ~9455=2, 4779/2.1=1 H LEU 74 - QD2 LEU 64 lone 3 70 - 5 - 9827/9833=2 H GLN 100 - QD2 LEU 64 lone 3 100 - 3 - H ASP 34 - QD2 LEU 64 lone 2 92 - 2 - HE21 GLN 85 - QD2 LEU 64 lone 2 100 - 2 - HD21 ASN 50 - QD2 LEU 64 lone 1 97 - 1 - HD21 ASN 10 - QD2 LEU 64 lone 1 77 - 1 - Peak 4787 from cnoeabs.peaks (3.91, 0.78, 24.57 ppm; 3.56 A): 1 out of 5 assignments used, quality = 0.95: * HA LEU 64 + QD2 LEU 64 OK 95 100 - 95 - 3.8=82, 4780/2.1=26...(15) HA ARG 118 - QD2 LEU 64 lone 6 81 - 7 - 4780/2.1=2 HA GLU 128 - QD2 LEU 64 lone 3 100 - 3 - 4757=1 HA LEU 38 - QD2 LEU 64 lone 1 99 - 1 - HB2 SER 35 - QD2 LEU 64 lone 1 87 - 1 - Peak 4788 from cnoeabs.peaks (1.79, 0.78, 24.57 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 64 + QD2 LEU 64 OK 100 100 - 100 - 3.1=100 Peak 4789 from cnoeabs.peaks (1.63, 0.78, 24.57 ppm; 2.83 A): 1 out of 1 assignment used, quality = 0.84: HG LEU 64 + QD2 LEU 64 OK 84 84 - 100 - 2.1=100 Reference assignment not found: HB3 LEU 64 - QD2 LEU 64 Peak 4790 from cnoeabs.peaks (1.64, 0.78, 24.57 ppm; 2.83 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 64 + QD2 LEU 64 OK 100 100 - 100 - 2.1=100 Peak 4791 from cnoeabs.peaks (0.81, 0.78, 24.57 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 64 + QD2 LEU 64 OK 100 100 - 100 - 2.1=100 Peak 4792 from cnoeabs.peaks (0.78, 0.78, 24.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 64 + QD2 LEU 64 OK 100 100 - 100 Peak 4793 from cnoeabs.peaks (8.04, 3.79, 60.23 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 65 + HA LYS 65 OK 100 100 - 100 - 3.0=100 Peak 4794 from cnoeabs.peaks (3.79, 3.79, 60.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 65 + HA LYS 65 OK 100 100 - 100 Peak 4795 from cnoeabs.peaks (1.93, 3.79, 60.23 ppm; 2.99 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 65 + HA LYS 65 OK 100 100 - 100 - 3.0=100 HB3 LYS 65 + HA LYS 65 OK 100 100 - 100 - 3.0=100 Peak 4796 from cnoeabs.peaks (1.93, 3.79, 60.23 ppm; 2.99 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 65 + HA LYS 65 OK 100 100 - 100 - 3.0=100 HB2 LYS 65 + HA LYS 65 OK 100 100 - 100 - 3.0=100 Peak 4797 from cnoeabs.peaks (1.55, 3.79, 60.23 ppm; 3.47 A): 2 out of 10 assignments used, quality = 0.94: * HG2 LYS 65 + HA LYS 65 OK 91 100 - 91 - 3.9=69, 1.8/4798=19...(21) HG2 LYS 115 + HA LYS 65 OK 35 87 - 41 - 6730=6, 1426/3.0=6...(11) HD2 LYS 94 - HA LYS 65 lone 6 87 - 7 - 3.0/8127=2 HD3 LYS 94 - HA LYS 65 lone 6 87 - 7 - 3.0/8127=2 QB ALA 46 - HA LYS 65 lone 5 100 - 5 - 402/3.6=1, 2.9/8129=1 HB VAL 78 - HA LYS 65 lone 2 96 - 2 - HG12 ILE 3 - HA LYS 65 lone 2 87 - 2 - HD2 LYS 106 - HA LYS 65 lone 1 87 - 2 - HD3 LYS 106 - HA LYS 65 lone 1 84 - 2 - HG LEU 55 - HA LYS 65 lone 1 70 - 1 - Peak 4798 from cnoeabs.peaks (1.34, 3.79, 60.23 ppm; 3.76 A): 1 out of 4 assignments used, quality = 0.97: * HG3 LYS 65 + HA LYS 65 OK 97 100 - 97 - 3.9=88, 1.8/4797=25...(39) HG LEU 81 - HA LYS 65 OK 38 100 - 38 - 2.1/11606=10...(12) HB3 LEU 81 - HA LYS 65 OK 27 87 - 31 - 3.1/11606=8, 3.1/9956=8...(9) HG2 LYS 77 - HA LYS 65 lone 3 90 - 3 - 9852/11054=1 Peak 4799 from cnoeabs.peaks (1.65, 3.79, 60.23 ppm; 3.68 A): 4 out of 12 assignments used, quality = 1.00: * HD2 LYS 65 + HA LYS 65 OK 88 100 - 88 - 4.8=45, 3.0/4797=18...(43) HD3 LYS 65 + HA LYS 65 OK 88 100 - 88 - 4.8=45, 3.0/4797=18...(43) HD2 LYS 115 + HA LYS 65 OK 52 100 - 52 - 2.9/4797=7, 4844=4...(15) HD3 LYS 115 + HA LYS 65 OK 51 99 - 52 - 2.9/4797=7, 6760=4...(15) HG LEU 64 - HA LYS 65 OK 28 87 - 32 - ~397=5, ~396=5...(9) HG LEU 114 - HA LYS 65 OK 17 100 - 17 - 3.0/8127=7, 3.0/8125=5...(4) HG LEU 90 - HA LYS 65 lone 6 77 - 8 - ~5803=1, ~5810=1, 5796/3.0=1 HD3 LYS 49 - HA LYS 65 lone 2 100 - 2 - HD2 LYS 49 - HA LYS 65 lone 2 100 - 2 - HB ILE 5 - HA LYS 65 lone 1 96 - 1 - HB2 ARG 30 - HA LYS 65 lone 1 100 - 1 - HB2 GLU 52 - HA LYS 65 lone 1 100 - 1 - Peak 4800 from cnoeabs.peaks (1.65, 3.79, 60.23 ppm; 3.68 A): 4 out of 12 assignments used, quality = 1.00: * HD3 LYS 65 + HA LYS 65 OK 88 100 - 88 - 4.8=45, 3.0/4797=18...(43) HD2 LYS 65 + HA LYS 65 OK 88 100 - 88 - 4.8=45, 3.0/4797=18...(43) HD2 LYS 115 + HA LYS 65 OK 51 99 - 52 - 2.9/4797=7, 4854=4...(15) HD3 LYS 115 + HA LYS 65 OK 50 96 - 52 - 2.9/4797=7, 4844=4...(15) HG LEU 64 - HA LYS 65 OK 30 94 - 32 - ~397=5, ~396=5...(9) HG LEU 114 - HA LYS 65 OK 17 100 - 18 - 3.0/8127=7, 3.0/8125=5...(4) HG LEU 90 - HA LYS 65 lone 7 87 - 8 - ~5803=1, ~5810=1, 5796/3.0=1 HD3 LYS 49 - HA LYS 65 lone 2 100 - 2 - HD2 LYS 49 - HA LYS 65 lone 2 100 - 2 - HB ILE 5 - HA LYS 65 lone 1 99 - 1 - HB2 ARG 30 - HA LYS 65 lone 1 100 - 1 - HB2 GLU 52 - HA LYS 65 lone 1 99 - 1 - Peak 4803 from cnoeabs.peaks (8.04, 1.93, 32.27 ppm; 3.38 A): 2 out of 72 assignments used, quality = 0.97: * H LYS 65 + HB2 LYS 65 OK 84 100 - 84 - 4.0=61, 1908/4.7=13...(18) H LYS 65 + HB3 LYS 65 OK 84 100 - 84 - 4.0=61, 1908/4.7=13...(18) H LYS 65 - HB3 LYS 115 OK 33 98 - 34 - 8261/3.0=6, 1426/3.0=5...(11) H LYS 65 - HB2 LYS 115 OK 31 92 - 34 - 8261/3.0=6, 1426/3.0=5...(11) H GLN 122 - HB2 LYS 123 OK 18 73 - 25 - 776/3.7=11, 2231/2.9=5...(6) H ARG 118 - HB3 LYS 115 OK 15 83 - 18 - 8261/3.0=9, 1424=2...(6) H ARG 118 - HB2 LYS 115 OK 14 75 - 19 - 8261/3.0=9, 4.3/10523=2...(6) H LYS 65 - HB2 LYS 123 lone 8 100 - 8 - 2089/3.7=3, 1424=1 H LEU 90 - HB3 LYS 65 lone 7 94 - 8 - 4833/2.9=2, 398/4.7=1 H LEU 90 - HB2 LYS 65 lone 7 94 - 8 - 4833/2.9=2, 398/4.7=1 H ARG 118 - HB2 LYS 65 lone 6 87 - 7 - 1908/4.7=1 H ARG 118 - HB3 LYS 65 lone 6 87 - 7 - 1908/4.7=1 H SER 72 - HB2 LYS 65 lone 5 77 - 6 - 2123/3.0=1 H SER 72 - HB3 LYS 65 lone 5 77 - 6 - 2123/3.0=1 H SER 72 - HB2 LYS 123 lone 5 76 - 6 - 4.7/436=2, 441/4.4=1 H THR 9 - HB2 LYS 65 lone 4 98 - 4 - H THR 9 - HB3 LYS 65 lone 4 98 - 4 - H GLN 122 - HB2 LYS 65 lone 3 73 - 5 - 398/4.7=1, 4.6/1810=1 H GLN 122 - HB3 LYS 65 lone 3 73 - 5 - 398/4.7=1, 4.6/1810=1 H LEU 90 - HB2 LYS 123 lone 3 93 - 3 - H ASP 109 - HB2 LYS 65 lone 2 100 - 2 - H ASP 109 - HB3 LYS 65 lone 2 100 - 2 - H SER 72 - HB3 LYS 115 lone 2 73 - 3 - H SER 72 - HB2 LYS 115 lone 2 66 - 3 - H THR 9 - HB3 LYS 115 lone 2 95 - 2 - H THR 9 - HB2 LYS 115 lone 2 88 - 2 - H VAL 22 - HB2 LYS 65 lone 2 100 - 2 - H VAL 22 - HB3 LYS 65 lone 2 100 - 2 - H LYS 65 - HB2 LYS 39 lone 2 79 - 2 - H ASP 109 - HB3 LYS 115 lone 1 98 - 1 - H ASP 109 - HB2 LYS 115 lone 1 92 - 1 - H GLN 122 - HB3 LYS 115 lone 1 69 - 2 - H THR 9 - HB2 LYS 123 lone 1 98 - 1 - H ARG 118 - HB2 LYS 123 lone 1 86 - 1 - H GLN 122 - HB2 LYS 115 lone 1 62 - 2 - H LEU 90 - HB3 LYS 115 lone 1 90 - 1 - H VAL 22 - HB2 LYS 123 lone 1 100 - 1 - H ASP 109 - HB2 LYS 123 lone 1 100 - 1 - H LYS 65 - HB3 LYS 40 lone 1 69 - 1 - H LEU 90 - HB2 LYS 115 lone 1 83 - 1 - H VAL 22 - HB3 LYS 115 lone 1 98 - 1 - H SER 72 - HB2 LYS 39 lone 1 54 - 1 - H LEU 90 - HB2 LYS 39 lone 1 69 - 1 - H VAL 22 - HB2 LYS 115 lone 1 92 - 1 - H GLN 122 - HB2 LYS 39 lone 1 51 - 1 - H LYS 65 - HB3 LYS 39 lone 1 42 - 2 - H GLY 26 - HB3 LYS 115 lone 1 62 - 1 - H GLY 26 - HB2 LYS 65 lone 1 65 - 1 - H GLY 26 - HB3 LYS 65 lone 1 65 - 1 - H GLY 26 - HB2 LYS 115 lone 1 55 - 1 - H ARG 118 - HB2 LYS 39 lone 1 62 - 1 - H SER 72 - HB3 LYS 40 lone 0 46 - 1 - H LEU 90 - HB3 LYS 40 lone 0 60 - 1 - H THR 9 - HB2 LYS 39 lone 0 74 - 1 - H VAL 22 - HB2 LYS 39 lone 0 79 - 0 - H GLN 122 - HB3 LYS 40 lone 0 43 - 1 - H ARG 118 - HB3 LYS 40 lone 0 53 - 1 - H ASP 109 - HB2 LYS 39 lone 0 78 - 0 - H GLY 26 - HB2 LYS 123 lone 0 65 - 0 - H GLY 26 - HB2 LYS 39 lone 0 44 - 1 - H THR 9 - HB3 LYS 40 lone 0 65 - 0 - H SER 72 - HB3 LYS 39 lone 0 27 - 1 - H ASP 109 - HB3 LYS 40 lone 0 68 - 0 - H VAL 22 - HB3 LYS 40 lone 0 69 - 0 - H GLN 122 - HB3 LYS 39 lone 0 25 - 1 - H VAL 22 - HB3 LYS 39 lone 0 42 - 0 - H THR 9 - HB3 LYS 39 lone 0 39 - 0 - H ARG 118 - HB3 LYS 39 lone 0 32 - 1 - H ASP 109 - HB3 LYS 39 lone 0 42 - 0 - H LEU 90 - HB3 LYS 39 lone 0 36 - 0 - H GLY 26 - HB3 LYS 39 lone 0 22 - 1 - H GLY 26 - HB3 LYS 40 lone 0 38 - 0 - Peak 4804 from cnoeabs.peaks (3.79, 1.93, 32.27 ppm; 3.11 A): 4 out of 4 assignments used, quality = 1.00: * HA LYS 65 + HB2 LYS 65 OK 100 100 - 100 - 3.0=100 HA LYS 65 + HB3 LYS 65 OK 100 100 - 100 - 3.0=100 HA LYS 115 + HB3 LYS 115 OK 95 95 - 100 - 3.0=100 HA LYS 115 + HB2 LYS 115 OK 88 88 - 100 - 3.0=100 Peak 4805 from cnoeabs.peaks (1.93, 1.93, 32.27 ppm; diagonal): 7 out of 8 assignments used, quality = 1.00: * HB2 LYS 65 + HB2 LYS 65 OK 100 100 - 100 HB3 LYS 65 + HB3 LYS 65 OK 100 100 - 100 HB2 LYS 123 + HB2 LYS 123 OK 100 100 - 100 HB3 LYS 115 + HB3 LYS 115 OK 98 98 - 100 HB2 LYS 115 + HB2 LYS 115 OK 88 88 - 100 HB2 LYS 39 + HB2 LYS 39 OK 79 79 - 100 HB3 LYS 40 + HB3 LYS 40 OK 56 56 - 100 HB3 LYS 39 - HB3 LYS 39 OK 29 29 - 100 Peak 4806 from cnoeabs.peaks (1.93, 1.93, 32.27 ppm; diagonal): 7 out of 8 assignments used, quality = 1.00: HB2 LYS 65 + HB2 LYS 65 OK 100 100 - 100 HB3 LYS 65 + HB3 LYS 65 OK 100 100 - 100 HB2 LYS 123 + HB2 LYS 123 OK 100 100 - 100 HB3 LYS 115 + HB3 LYS 115 OK 98 98 - 100 HB2 LYS 115 + HB2 LYS 115 OK 89 89 - 100 HB2 LYS 39 + HB2 LYS 39 OK 79 79 - 100 HB3 LYS 40 + HB3 LYS 40 OK 53 53 - 100 HB3 LYS 39 - HB3 LYS 39 OK 27 27 - 100 Reference assignment not found: HB3 LYS 65 - HB2 LYS 65 Peak 4807 from cnoeabs.peaks (1.55, 1.93, 32.27 ppm; 2.85 A): 4 out of 80 assignments used, quality = 1.00: * HG2 LYS 65 + HB2 LYS 65 OK 98 100 - 98 - 2.9=95, 4797/3.0=11...(20) HG2 LYS 65 + HB3 LYS 65 OK 98 100 - 98 - 2.9=95, 4797/3.0=11...(20) HG2 LYS 115 + HB3 LYS 115 OK 79 83 - 95 - 3.0=91, 6703/3.0=7...(19) HG2 LYS 115 + HB2 LYS 115 OK 71 75 - 95 - 3.0=91, 6703/3.0=7...(19) HG2 LYS 115 - HB2 LYS 65 OK 30 87 - 35 - 4797/3.0=4, 1426/4.0=3...(11) HG2 LYS 115 - HB3 LYS 65 OK 30 87 - 35 - 4797/3.0=4, 1426/4.0=3...(11) HG2 LYS 65 - HB3 LYS 115 OK 28 98 - 29 - 6703/3.0=3, 1753/4.0=3...(7) HG2 LYS 65 - HB2 LYS 115 OK 26 92 - 29 - 6703/3.0=3, 1753/4.0=3...(7) HD2 LYS 94 - HB2 LYS 65 lone 5 87 - 6 - HD3 LYS 94 - HB2 LYS 65 lone 5 87 - 6 - HD2 LYS 94 - HB3 LYS 65 lone 5 87 - 5 - HD3 LYS 94 - HB3 LYS 65 lone 5 87 - 5 - HG12 ILE 3 - HB2 LYS 123 lone 4 86 - 5 - ~10654=2, 2.1/10654=2, ~9015=1 HG2 LYS 65 - HB2 LYS 123 lone 3 100 - 3 - HG2 LYS 115 - HB2 LYS 123 lone 3 86 - 3 - QB ALA 46 - HB3 LYS 65 lone 3 100 - 3 - QB ALA 46 - HB2 LYS 65 lone 3 100 - 3 - HG12 ILE 3 - HB3 LYS 115 lone 2 83 - 2 - HG12 ILE 3 - HB2 LYS 65 lone 2 87 - 2 - HG12 ILE 3 - HB3 LYS 65 lone 2 87 - 2 - HG12 ILE 3 - HB2 LYS 115 lone 2 75 - 2 - HD3 LYS 94 - HB2 LYS 123 lone 2 86 - 2 - HD2 LYS 94 - HB2 LYS 123 lone 2 86 - 2 - HD3 LYS 94 - HB3 LYS 115 lone 1 83 - 2 - HD2 LYS 94 - HB3 LYS 115 lone 1 83 - 2 - HD2 LYS 94 - HB2 LYS 115 lone 1 75 - 2 - HD3 LYS 94 - HB2 LYS 115 lone 1 75 - 2 - QB ALA 46 - HB2 LYS 123 lone 1 100 - 1 - HD2 LYS 106 - HB3 LYS 115 lone 1 83 - 1 - HB VAL 78 - HB2 LYS 65 lone 1 96 - 1 - HB VAL 78 - HB3 LYS 65 lone 1 95 - 1 - HD3 LYS 106 - HB3 LYS 115 lone 1 80 - 1 - QB ALA 46 - HB3 LYS 115 lone 1 98 - 1 - HD2 LYS 106 - HB2 LYS 115 lone 1 75 - 1 - HD3 LYS 106 - HB2 LYS 115 lone 1 72 - 1 - QB ALA 46 - HB2 LYS 115 lone 1 92 - 1 - HB VAL 78 - HB3 LYS 115 lone 1 92 - 1 - HD2 LYS 106 - HB2 LYS 65 lone 1 87 - 1 - HD2 LYS 106 - HB3 LYS 65 lone 1 87 - 1 - HD3 LYS 106 - HB2 LYS 65 lone 1 84 - 1 - HD3 LYS 106 - HB3 LYS 65 lone 1 84 - 1 - HB VAL 78 - HB2 LYS 115 lone 1 85 - 1 - HB VAL 78 - HB2 LYS 123 lone 1 95 - 1 - HB VAL 78 - HB2 LYS 39 lone 1 71 - 1 - HG LEU 55 - HB3 LYS 115 lone 1 66 - 1 - HD3 LYS 94 - HB2 LYS 39 lone 1 62 - 1 - HD2 LYS 94 - HB2 LYS 39 lone 1 62 - 1 - HG2 LYS 65 - HB2 LYS 39 lone 1 79 - 1 - HG LEU 55 - HB2 LYS 115 lone 1 59 - 1 - HG2 LYS 115 - HB3 LYS 40 lone 1 53 - 1 - HD3 LYS 94 - HB3 LYS 40 lone 1 53 - 1 - HD2 LYS 94 - HB3 LYS 40 lone 1 53 - 1 - HG2 LYS 115 - HB2 LYS 39 lone 0 62 - 1 - HG2 LYS 65 - HB3 LYS 40 lone 0 69 - 1 - HG LEU 55 - HB2 LYS 65 lone 0 70 - 1 - HG LEU 55 - HB3 LYS 65 lone 0 69 - 1 - QB ALA 46 - HB3 LYS 40 lone 0 69 - 1 - HD2 LYS 106 - HB2 LYS 123 lone 0 86 - 0 - HD3 LYS 106 - HB2 LYS 123 lone 0 83 - 0 - QB ALA 46 - HB2 LYS 39 lone 0 79 - 0 - HD2 LYS 106 - HB2 LYS 39 lone 0 62 - 1 - HD3 LYS 106 - HB2 LYS 39 lone 0 59 - 1 - HG12 ILE 3 - HB3 LYS 40 lone 0 53 - 1 - HG LEU 55 - HB2 LYS 123 lone 0 69 - 0 - HD2 LYS 94 - HB3 LYS 39 lone 0 32 - 1 - HD3 LYS 94 - HB3 LYS 39 lone 0 32 - 1 - HG12 ILE 3 - HB2 LYS 39 lone 0 62 - 0 - HB VAL 78 - HB3 LYS 39 lone 0 37 - 1 - HG2 LYS 65 - HB3 LYS 39 lone 0 42 - 1 - HD2 LYS 106 - HB3 LYS 40 lone 0 53 - 0 - HG LEU 55 - HB3 LYS 40 lone 0 40 - 1 - HD3 LYS 106 - HB3 LYS 40 lone 0 51 - 0 - HG2 LYS 115 - HB3 LYS 39 lone 0 32 - 1 - HD2 LYS 106 - HB3 LYS 39 lone 0 32 - 0 - HG LEU 55 - HB2 LYS 39 lone 0 48 - 0 - HB VAL 78 - HB3 LYS 40 lone 0 62 - 0 - HD3 LYS 106 - HB3 LYS 39 lone 0 30 - 0 - QB ALA 46 - HB3 LYS 39 lone 0 42 - 0 - HG12 ILE 3 - HB3 LYS 39 lone 0 32 - 0 - HG LEU 55 - HB3 LYS 39 lone 0 24 - 0 - Peak 4808 from cnoeabs.peaks (1.34, 1.93, 32.27 ppm; 3.19 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 65 + HB2 LYS 65 OK 100 100 - 100 - 2.9=100 HG3 LYS 65 + HB3 LYS 65 OK 100 100 - 100 - 2.9=100 Peak 4809 from cnoeabs.peaks (1.65, 1.93, 32.27 ppm; 2.64 A): 8 out of 96 assignments used, quality = 1.00: * HD2 LYS 65 + HB2 LYS 65 OK 81 100 - 81 - 3.4=47, 4839/2.9=6...(44) HD2 LYS 65 + HB3 LYS 65 OK 81 100 - 81 - 3.4=47, 4839/2.9=6...(44) HD3 LYS 65 + HB2 LYS 65 OK 81 100 - 81 - 3.4=47, 4839/2.9=6...(46) HD3 LYS 65 + HB3 LYS 65 OK 81 100 - 81 - 3.4=47, 4839/2.9=6...(46) HD2 LYS 115 + HB3 LYS 115 OK 70 98 - 71 - 3.7=36, 6735/3.0=4...(41) HD3 LYS 115 + HB3 LYS 115 OK 69 96 - 72 - 3.7=36, 6735/3.0=4...(43) HD2 LYS 115 + HB2 LYS 115 OK 65 92 - 71 - 3.7=36, 6735/3.0=4...(41) HD3 LYS 115 + HB2 LYS 115 OK 64 89 - 72 - 3.7=36, 6735/3.0=4...(43) HD2 LYS 115 - HB2 LYS 65 OK 42 100 - 42 - 4839/2.9=3, 4799/3.0=2...(15) HD2 LYS 115 - HB3 LYS 65 OK 42 100 - 42 - 4839/2.9=3, 4799/3.0=2...(15) HD3 LYS 115 - HB2 LYS 65 OK 42 99 - 43 - 4839/2.9=3, 4799/3.0=2...(15) HD3 LYS 115 - HB3 LYS 65 OK 42 99 - 43 - 4839/2.9=3, 4799/3.0=2...(15) HD2 LYS 65 - HB3 LYS 115 OK 31 98 - 32 - 6705/3.0=2, 4855=1...(9) HD3 LYS 65 - HB3 LYS 115 OK 31 97 - 32 - 6705/3.0=2, 4855=1...(9) HD2 LYS 65 - HB2 LYS 115 OK 29 92 - 32 - 6705/3.0=2, 4856=1...(9) HD3 LYS 65 - HB2 LYS 115 OK 29 91 - 32 - 6705/3.0=2, 4856=1...(8) HG LEU 114 - HB3 LYS 115 OK 10 97 - 10 - 7884/4.0=2, 6705/3.0=2...(4) HG LEU 114 - HB2 LYS 115 poor 9 91 - 10 - 7884/4.0=2, 6705/3.0=2...(4) HG LEU 64 - HB2 LYS 65 lone 8 87 - 9 - ~10805=2, 7619/4.0=1...(4) HG LEU 64 - HB3 LYS 65 lone 8 87 - 9 - ~10805=2, 7619/4.0=1...(4) HG LEU 114 - HB2 LYS 65 lone 6 100 - 7 - ~8127=1 HG LEU 114 - HB3 LYS 65 lone 6 100 - 7 - ~8127=1 HG LEU 64 - HB3 LYS 115 lone 6 83 - 7 - ~10452=1 HG LEU 64 - HB2 LYS 115 lone 5 75 - 7 - ~10452=1 HD3 LYS 49 - HB2 LYS 123 lone 4 100 - 4 - HD2 LYS 49 - HB2 LYS 123 lone 4 100 - 4 - HG LEU 90 - HB3 LYS 65 lone 4 77 - 5 - ~10981=2 HG LEU 90 - HB2 LYS 65 lone 4 77 - 5 - ~10981=2 HD2 LYS 65 - HB2 LYS 123 lone 3 100 - 3 - HD3 LYS 65 - HB2 LYS 123 lone 3 99 - 3 - HD2 LYS 115 - HB2 LYS 123 lone 2 100 - 2 - HD3 LYS 115 - HB2 LYS 123 lone 2 98 - 2 - HG LEU 114 - HB2 LYS 123 lone 1 99 - 1 - HD3 LYS 49 - HB2 LYS 65 lone 1 100 - 1 - HD2 LYS 49 - HB2 LYS 65 lone 1 100 - 1 - HD2 LYS 49 - HB3 LYS 65 lone 1 100 - 1 - HD3 LYS 49 - HB3 LYS 65 lone 1 100 - 1 - HG LEU 90 - HB2 LYS 39 lone 1 54 - 2 - HB ILE 5 - HB3 LYS 115 lone 1 92 - 1 - HG LEU 64 - HB2 LYS 123 lone 1 86 - 1 - HD2 LYS 49 - HB3 LYS 115 lone 1 98 - 1 - HD3 LYS 49 - HB3 LYS 115 lone 1 98 - 1 - HB ILE 5 - HB2 LYS 115 lone 1 85 - 1 - HG LEU 90 - HB2 LYS 123 lone 1 76 - 1 - HB ILE 5 - HB2 LYS 123 lone 1 95 - 1 - HB ILE 5 - HB2 LYS 65 lone 1 96 - 1 - HB ILE 5 - HB3 LYS 65 lone 1 95 - 1 - HD2 LYS 115 - HB3 LYS 40 lone 1 68 - 1 - HD3 LYS 115 - HB3 LYS 40 lone 1 66 - 1 - HD3 LYS 49 - HB2 LYS 115 lone 1 92 - 1 - HD2 LYS 49 - HB2 LYS 115 lone 1 92 - 1 - HD2 LYS 65 - HB3 LYS 40 lone 1 69 - 1 - HD3 LYS 65 - HB3 LYS 40 lone 1 68 - 1 - HG LEU 114 - HB2 LYS 39 lone 1 78 - 1 - HD2 LYS 115 - HB2 LYS 39 lone 0 78 - 1 - HG LEU 90 - HB3 LYS 39 lone 1 27 - 2 - HD3 LYS 49 - HB2 LYS 39 lone 0 79 - 1 - HD2 LYS 49 - HB2 LYS 39 lone 0 79 - 1 - HD3 LYS 115 - HB2 LYS 39 lone 0 76 - 1 - HD2 LYS 65 - HB2 LYS 39 lone 0 79 - 1 - HG LEU 90 - HB3 LYS 115 lone 0 73 - 1 - HD3 LYS 65 - HB2 LYS 39 lone 0 78 - 1 - HG LEU 64 - HB2 LYS 39 lone 0 62 - 1 - HG LEU 90 - HB2 LYS 115 lone 0 66 - 1 - HG LEU 114 - HB3 LYS 40 lone 0 68 - 1 - HB2 ARG 30 - HB2 LYS 65 lone 0 100 - 0 - HB2 ARG 30 - HB3 LYS 65 lone 0 100 - 0 - HB2 GLU 52 - HB2 LYS 65 lone 0 100 - 0 - HB2 ARG 30 - HB3 LYS 115 lone 0 98 - 0 - HB2 GLU 52 - HB3 LYS 65 lone 0 100 - 0 - HB2 ARG 30 - HB2 LYS 115 lone 0 92 - 0 - HB2 GLU 52 - HB3 LYS 115 lone 0 98 - 0 - HG LEU 90 - HB3 LYS 40 lone 0 46 - 1 - HB2 GLU 52 - HB2 LYS 123 lone 0 100 - 0 - HD2 LYS 115 - HB3 LYS 39 lone 0 42 - 1 - HD3 LYS 115 - HB3 LYS 39 lone 0 40 - 1 - HB ILE 5 - HB3 LYS 40 lone 0 62 - 0 - HD2 LYS 65 - HB3 LYS 39 lone 0 42 - 1 - HB ILE 5 - HB2 LYS 39 lone 0 71 - 0 - HB2 GLU 52 - HB2 LYS 115 lone 0 92 - 0 - HD3 LYS 65 - HB3 LYS 39 lone 0 42 - 1 - HD2 LYS 49 - HB3 LYS 39 lone 0 42 - 1 - HD3 LYS 49 - HB3 LYS 39 lone 0 42 - 1 - HB2 ARG 30 - HB2 LYS 123 lone 0 100 - 0 - HG LEU 114 - HB3 LYS 39 lone 0 42 - 1 - HG LEU 64 - HB3 LYS 39 lone 0 32 - 1 - HB2 ARG 30 - HB2 LYS 39 lone 0 79 - 0 - HB2 GLU 52 - HB2 LYS 39 lone 0 78 - 0 - HG LEU 64 - HB3 LYS 40 lone 0 53 - 0 - HB2 GLU 52 - HB3 LYS 40 lone 0 68 - 0 - HD2 LYS 49 - HB3 LYS 40 lone 0 69 - 0 - HD3 LYS 49 - HB3 LYS 40 lone 0 69 - 0 - HB2 ARG 30 - HB3 LYS 40 lone 0 69 - 0 - HB ILE 5 - HB3 LYS 39 lone 0 37 - 0 - HB2 GLU 52 - HB3 LYS 39 lone 0 42 - 0 - HB2 ARG 30 - HB3 LYS 39 lone 0 42 - 0 - Peak 4810 from cnoeabs.peaks (1.65, 1.93, 32.27 ppm; 2.64 A): 8 out of 96 assignments used, quality = 1.00: * HD3 LYS 65 + HB2 LYS 65 OK 81 100 - 81 - 3.4=47, 4840/2.9=6...(46) HD3 LYS 65 + HB3 LYS 65 OK 81 100 - 81 - 3.4=47, 4840/2.9=6...(46) HD2 LYS 65 + HB2 LYS 65 OK 81 100 - 81 - 3.4=47, 4840/2.9=6...(44) HD2 LYS 65 + HB3 LYS 65 OK 81 100 - 81 - 3.4=47, 4840/2.9=6...(44) HD2 LYS 115 + HB3 LYS 115 OK 68 96 - 71 - 3.7=36, 6735/3.0=4...(41) HD3 LYS 115 + HB3 LYS 115 OK 66 92 - 71 - 3.7=36, 6735/3.0=4...(43) HD2 LYS 115 + HB2 LYS 115 OK 64 89 - 71 - 3.7=36, 6735/3.0=4...(41) HD3 LYS 115 + HB2 LYS 115 OK 60 85 - 71 - 3.7=36, 6735/3.0=4...(43) HD2 LYS 115 - HB2 LYS 65 OK 42 99 - 42 - 4839/2.9=3, 4799/3.0=2...(15) HD2 LYS 115 - HB3 LYS 65 OK 42 99 - 42 - 4839/2.9=3, 4799/3.0=2...(15) HD3 LYS 115 - HB2 LYS 65 OK 41 96 - 43 - 4839/2.9=3, 4799/3.0=2...(15) HD3 LYS 115 - HB3 LYS 65 OK 40 95 - 43 - 4839/2.9=3, 4799/3.0=2...(15) HD3 LYS 65 - HB3 LYS 115 OK 31 98 - 32 - 6705/3.0=2, 4855=1...(9) HD2 LYS 65 - HB3 LYS 115 OK 31 97 - 32 - 6705/3.0=2, 4855=1...(8) HD3 LYS 65 - HB2 LYS 115 OK 29 92 - 32 - 6705/3.0=2, 4856=1...(8) HD2 LYS 65 - HB2 LYS 115 OK 29 91 - 32 - 6705/3.0=2, 4856=1...(9) HG LEU 114 - HB3 LYS 115 OK 10 98 - 10 - 7884/4.0=2, 6705/3.0=2...(4) HG LEU 114 - HB2 LYS 115 poor 9 92 - 10 - 7884/4.0=2, 6705/3.0=2...(4) HG LEU 64 - HB2 LYS 65 lone 9 94 - 9 - ~10805=2, 5796/4.0=2...(4) HG LEU 64 - HB3 LYS 65 lone 9 94 - 9 - ~10805=2, 5796/4.0=2...(4) HG LEU 114 - HB2 LYS 65 lone 7 100 - 7 - ~8127=1 HG LEU 114 - HB3 LYS 65 lone 7 100 - 7 - ~8127=1 HG LEU 64 - HB3 LYS 115 lone 6 90 - 7 - ~10452=1 HG LEU 64 - HB2 LYS 115 lone 6 83 - 7 - ~10452=1 HD3 LYS 49 - HB2 LYS 123 lone 4 100 - 4 - HD2 LYS 49 - HB2 LYS 123 lone 4 100 - 4 - HG LEU 90 - HB3 LYS 65 lone 4 87 - 5 - ~10981=2 HG LEU 90 - HB2 LYS 65 lone 4 87 - 5 - ~10981=2 HD2 LYS 65 - HB2 LYS 123 lone 3 99 - 3 - HD3 LYS 65 - HB2 LYS 123 lone 3 100 - 3 - HD2 LYS 115 - HB2 LYS 123 lone 2 98 - 2 - HD3 LYS 115 - HB2 LYS 123 lone 2 95 - 2 - HG LEU 90 - HB2 LYS 39 lone 1 62 - 2 - HG LEU 114 - HB2 LYS 123 lone 1 100 - 1 - HD3 LYS 49 - HB2 LYS 65 lone 1 100 - 1 - HD2 LYS 49 - HB2 LYS 65 lone 1 100 - 1 - HD3 LYS 49 - HB3 LYS 65 lone 1 100 - 1 - HD2 LYS 49 - HB3 LYS 65 lone 1 100 - 1 - HB ILE 5 - HB3 LYS 115 lone 1 96 - 1 - HG LEU 64 - HB2 LYS 123 lone 1 93 - 1 - HG LEU 90 - HB2 LYS 123 lone 1 86 - 1 - HB ILE 5 - HB2 LYS 115 lone 1 89 - 1 - HD3 LYS 49 - HB3 LYS 115 lone 1 98 - 1 - HD2 LYS 49 - HB3 LYS 115 lone 1 98 - 1 - HB ILE 5 - HB2 LYS 123 lone 1 98 - 1 - HB ILE 5 - HB2 LYS 65 lone 1 99 - 1 - HB ILE 5 - HB3 LYS 65 lone 1 99 - 1 - HD2 LYS 115 - HB3 LYS 40 lone 1 66 - 1 - HD3 LYS 49 - HB2 LYS 115 lone 1 92 - 1 - HD2 LYS 49 - HB2 LYS 115 lone 1 92 - 1 - HD3 LYS 115 - HB3 LYS 40 lone 1 62 - 1 - HG LEU 90 - HB3 LYS 39 lone 1 32 - 2 - HD3 LYS 65 - HB3 LYS 40 lone 1 69 - 1 - HD2 LYS 65 - HB3 LYS 40 lone 1 68 - 1 - HG LEU 114 - HB2 LYS 39 lone 1 79 - 1 - HG LEU 90 - HB3 LYS 115 lone 1 83 - 1 - HG LEU 64 - HB2 LYS 39 lone 1 69 - 1 - HG LEU 90 - HB2 LYS 115 lone 0 75 - 1 - HD3 LYS 49 - HB2 LYS 39 lone 0 78 - 1 - HD2 LYS 49 - HB2 LYS 39 lone 0 78 - 1 - HD2 LYS 115 - HB2 LYS 39 lone 0 76 - 1 - HD3 LYS 65 - HB2 LYS 39 lone 0 79 - 1 - HD2 LYS 65 - HB2 LYS 39 lone 0 78 - 1 - HD3 LYS 115 - HB2 LYS 39 lone 0 71 - 1 - HG LEU 114 - HB3 LYS 40 lone 0 69 - 1 - HG LEU 90 - HB3 LYS 40 lone 0 53 - 1 - HB2 ARG 30 - HB2 LYS 65 lone 0 100 - 0 - HB2 ARG 30 - HB3 LYS 65 lone 0 100 - 0 - HB2 GLU 52 - HB2 LYS 65 lone 0 99 - 0 - HB2 ARG 30 - HB3 LYS 115 lone 0 97 - 0 - HB2 GLU 52 - HB3 LYS 65 lone 0 99 - 0 - HB2 ARG 30 - HB2 LYS 115 lone 0 91 - 0 - HB2 GLU 52 - HB3 LYS 115 lone 0 96 - 0 - HB ILE 5 - HB3 LYS 40 lone 0 66 - 0 - HB2 GLU 52 - HB2 LYS 123 lone 0 98 - 0 - HB ILE 5 - HB2 LYS 39 lone 0 76 - 0 - HD2 LYS 115 - HB3 LYS 39 lone 0 40 - 1 - HD3 LYS 65 - HB3 LYS 39 lone 0 42 - 1 - HD2 LYS 65 - HB3 LYS 39 lone 0 42 - 1 - HD3 LYS 115 - HB3 LYS 39 lone 0 37 - 1 - HB2 GLU 52 - HB2 LYS 115 lone 0 89 - 0 - HD2 LYS 49 - HB3 LYS 39 lone 0 42 - 1 - HD3 LYS 49 - HB3 LYS 39 lone 0 42 - 1 - HG LEU 64 - HB3 LYS 39 lone 0 36 - 1 - HB2 ARG 30 - HB2 LYS 123 lone 0 99 - 0 - HG LEU 114 - HB3 LYS 39 lone 0 42 - 1 - HG LEU 64 - HB3 LYS 40 lone 0 60 - 0 - HB2 ARG 30 - HB2 LYS 39 lone 0 78 - 0 - HB2 GLU 52 - HB2 LYS 39 lone 0 76 - 0 - HB2 GLU 52 - HB3 LYS 40 lone 0 66 - 0 - HD2 LYS 49 - HB3 LYS 40 lone 0 68 - 0 - HD3 LYS 49 - HB3 LYS 40 lone 0 68 - 0 - HB ILE 5 - HB3 LYS 39 lone 0 40 - 0 - HB2 ARG 30 - HB3 LYS 40 lone 0 68 - 0 - HB2 GLU 52 - HB3 LYS 39 lone 0 40 - 0 - HB2 ARG 30 - HB3 LYS 39 lone 0 42 - 0 - Peak 4811 from cnoeabs.peaks (2.92, 1.93, 32.27 ppm; 3.96 A): 16 out of 144 assignments used, quality = 1.00: HE3 LYS 65 + HB2 LYS 65 OK 94 100 - 94 - 4.8=58, 4868/2.9=9...(77) * HE2 LYS 65 + HB2 LYS 65 OK 94 100 - 94 - 4.8=58, 4868/2.9=9...(77) HE3 LYS 65 + HB3 LYS 65 OK 94 100 - 94 - 4.8=58, 4868/2.9=9...(77) HE2 LYS 65 + HB3 LYS 65 OK 94 100 - 94 - 4.8=58, 4868/2.9=9...(77) HE2 LYS 115 + HB3 LYS 115 OK 85 94 - 90 - 4.8=55, 6774/3.0=10...(58) HE3 LYS 115 + HB3 LYS 115 OK 85 94 - 90 - 4.8=55, 6774/3.0=10...(58) HE3 LYS 115 + HB2 LYS 115 OK 78 86 - 90 - 4.8=55, 6774/3.0=10...(58) HE2 LYS 115 + HB2 LYS 115 OK 78 86 - 90 - 4.8=55, 6774/3.0=10...(58) HE3 LYS 115 + HB2 LYS 65 OK 64 97 - 66 - 4878/2.9=4, 4832/2.9=3...(62) HE2 LYS 115 + HB2 LYS 65 OK 64 97 - 66 - 4878/2.9=4, 4832/2.9=3...(62) HE3 LYS 115 + HB3 LYS 65 OK 64 97 - 66 - 4868/2.9=4, 4832/2.9=3...(61) HE2 LYS 115 + HB3 LYS 65 OK 64 97 - 66 - 4868/2.9=4, 4832/2.9=3...(61) HE2 LYS 65 + HB3 LYS 115 OK 51 98 - 52 - 6774/3.0=4, ~6784=2...(24) HE3 LYS 65 + HB3 LYS 115 OK 51 98 - 52 - 6774/3.0=4, ~6784=2...(24) HE2 LYS 65 + HB2 LYS 115 OK 47 92 - 52 - 6774/3.0=4, ~6784=2...(24) HE3 LYS 65 + HB2 LYS 115 OK 47 92 - 52 - 6774/3.0=4, ~6784=2...(24) HE3 LYS 16 - HB3 LYS 40 OK 35 65 - 54 - ~2892=5, 6009/2.7=5...(31) HE2 LYS 16 - HB3 LYS 40 OK 35 65 - 54 - ~2892=5, 6009/2.7=5...(31) HE3 LYS 16 - HB3 LYS 115 lone 10 95 - 10 - HE2 LYS 16 - HB3 LYS 115 lone 10 95 - 10 - HE2 LYS 44 - HB2 LYS 123 poor 10 80 - 12 - HE3 LYS 44 - HB2 LYS 123 poor 10 80 - 12 - HE2 LYS 44 - HB2 LYS 39 poor 9 56 - 16 - ~3619=1, ~3609=1...(4) HE3 LYS 44 - HB2 LYS 39 poor 9 56 - 16 - ~3619=1, ~3609=1...(4) HE3 LYS 16 - HB2 LYS 115 lone 9 88 - 10 - HE2 LYS 16 - HB2 LYS 115 lone 9 88 - 10 - HE2 LYS 16 - HB3 LYS 65 lone 9 98 - 8 - HE3 LYS 16 - HB3 LYS 65 lone 9 98 - 8 - HE3 LYS 16 - HB2 LYS 65 lone 9 98 - 8 - HE2 LYS 16 - HB2 LYS 65 lone 9 98 - 8 - HE3 LYS 94 - HB2 LYS 65 lone 8 100 - 8 - HE3 LYS 94 - HB3 LYS 65 lone 7 100 - 7 - HE2 LYS 96 - HB3 LYS 40 poor 6 48 - 13 - 6.3/8046=2, ~3665=1 HE3 LYS 96 - HB3 LYS 40 poor 6 48 - 13 - 6.3/8046=2, ~3665=1 HE3 LYS 16 - HB2 LYS 39 lone 5 74 - 7 - HE2 LYS 16 - HB2 LYS 39 lone 5 74 - 7 - HE3 LYS 17 - HB3 LYS 115 lone 5 69 - 7 - ~2883=1, 1.8/2883=1 HE2 LYS 44 - HB3 LYS 39 poor 5 29 - 16 - ~3619=1, ~3609=1 HE3 LYS 44 - HB3 LYS 39 poor 5 29 - 16 - ~3619=1, ~3609=1 HE2 LYS 16 - HB2 LYS 123 lone 4 98 - 5 - HE3 LYS 16 - HB2 LYS 123 lone 4 98 - 5 - HE3 LYS 17 - HB2 LYS 115 lone 4 62 - 7 - 1.8/2883=1 HE3 LYS 65 - HB2 LYS 123 lone 4 100 - 4 - HE2 LYS 65 - HB2 LYS 123 lone 4 100 - 4 - HE3 LYS 115 - HB2 LYS 123 lone 4 96 - 4 - HE2 LYS 115 - HB2 LYS 123 lone 4 96 - 4 - HE3 LYS 94 - HB2 LYS 123 lone 4 100 - 4 - HE3 LYS 94 - HB3 LYS 115 lone 4 98 - 4 - HE3 LYS 17 - HB3 LYS 40 lone 4 43 - 8 - ~2882=2, ~2862=1, 2892/1.8=1 HE3 LYS 17 - HB2 LYS 123 lone 3 73 - 5 - HE3 LYS 96 - HB2 LYS 123 lone 3 80 - 4 - HE2 LYS 96 - HB2 LYS 123 lone 3 80 - 4 - HE3 LYS 94 - HB2 LYS 115 lone 3 92 - 3 - HE2 LYS 96 - HB2 LYS 39 lone 3 56 - 5 - HE3 LYS 96 - HB2 LYS 39 lone 3 56 - 5 - HE2 LYS 16 - HB3 LYS 39 lone 3 39 - 7 - HE3 LYS 16 - HB3 LYS 39 lone 3 39 - 7 - HE3 LYS 17 - HB3 LYS 65 lone 2 73 - 3 - HE3 LYS 17 - HB2 LYS 65 lone 2 73 - 3 - HE3 LYS 94 - HB2 LYS 39 lone 2 79 - 2 - HE2 LYS 115 - HB3 LYS 40 lone 2 63 - 3 - HE3 LYS 115 - HB3 LYS 40 lone 2 63 - 3 - HE3 LYS 44 - HB3 LYS 40 lone 2 48 - 3 - HE2 LYS 44 - HB3 LYS 40 lone 2 48 - 3 - HE2 LYS 96 - HB2 LYS 65 lone 1 81 - 2 - HE3 LYS 96 - HB2 LYS 65 lone 1 81 - 2 - HE2 LYS 96 - HB3 LYS 65 lone 1 80 - 2 - HE3 LYS 96 - HB3 LYS 65 lone 1 80 - 2 - HE3 LYS 96 - HB3 LYS 39 lone 1 29 - 5 - HE2 LYS 96 - HB3 LYS 39 lone 1 29 - 5 - HE3 LYS 94 - HB3 LYS 40 lone 1 69 - 2 - HE2 LYS 65 - HB2 LYS 39 lone 1 79 - 2 - HE3 LYS 65 - HB2 LYS 39 lone 1 79 - 2 - HE2 LYS 44 - HB3 LYS 65 lone 1 80 - 1 - HE3 LYS 44 - HB3 LYS 65 lone 1 80 - 1 - HE2 LYS 44 - HB2 LYS 65 lone 1 81 - 1 - HE3 LYS 44 - HB2 LYS 65 lone 1 81 - 1 - HE3 LYS 65 - HB3 LYS 40 lone 1 69 - 2 - HE2 LYS 65 - HB3 LYS 40 lone 1 69 - 2 - HE2 LYS 96 - HB3 LYS 115 lone 1 76 - 1 - HE3 LYS 96 - HB3 LYS 115 lone 1 76 - 1 - HE3 LYS 115 - HB2 LYS 39 lone 1 73 - 2 - HE2 LYS 115 - HB2 LYS 39 lone 1 73 - 2 - HE3 LYS 96 - HB2 LYS 115 lone 1 69 - 1 - HE2 LYS 96 - HB2 LYS 115 lone 1 69 - 1 - HE3 LYS 44 - HB3 LYS 115 lone 1 76 - 1 - HE2 LYS 44 - HB3 LYS 115 lone 1 76 - 1 - HE3 LYS 94 - HB3 LYS 39 lone 1 42 - 2 - HB2 ASP 34 - HB2 LYS 123 lone 1 96 - 1 - HE3 LYS 44 - HB2 LYS 115 lone 1 69 - 1 - HE2 LYS 44 - HB2 LYS 115 lone 1 69 - 1 - HB2 ASN 33 - HB3 LYS 115 lone 1 95 - 1 - HB2 ASN 33 - HB2 LYS 115 lone 1 88 - 1 - HB2 ASP 34 - HB3 LYS 115 lone 1 94 - 1 - HE3 LYS 17 - HB2 LYS 39 lone 1 51 - 1 - HB2 ASP 34 - HB2 LYS 65 lone 1 97 - 1 - HB2 ASP 34 - HB3 LYS 65 lone 1 97 - 1 - HB2 ASN 33 - HB2 LYS 65 lone 1 98 - 1 - HB2 ASN 33 - HB3 LYS 65 lone 1 98 - 1 - HE2 LYS 65 - HB3 LYS 39 lone 1 42 - 2 - HE3 LYS 65 - HB3 LYS 39 lone 1 42 - 2 - HB2 ASP 34 - HB2 LYS 115 lone 1 86 - 1 - HE2 LYS 115 - HB3 LYS 39 lone 1 38 - 2 - HE3 LYS 115 - HB3 LYS 39 lone 1 38 - 2 - HB3 ASN 88 - HB2 LYS 65 lone 1 90 - 1 - HB3 ASN 88 - HB3 LYS 65 lone 1 89 - 1 - HB2 ASN 10 - HB2 LYS 65 lone 1 92 - 1 - HB2 ASN 10 - HB3 LYS 65 lone 1 92 - 1 - HB2 ASN 10 - HB3 LYS 115 lone 1 88 - 1 - HB2 ASN 33 - HB2 LYS 123 lone 0 98 - 1 - HB3 ASN 88 - HB3 LYS 115 lone 1 85 - 1 - HB2 ASP 86 - HB3 LYS 115 lone 1 85 - 1 - HB2 ASP 86 - HB2 LYS 65 lone 0 90 - 1 - HB2 ASP 86 - HB3 LYS 65 lone 0 89 - 1 - HD3 ARG 30 - HB2 LYS 65 lone 0 70 - 1 - HB2 ASN 10 - HB2 LYS 115 lone 0 80 - 1 - HD3 ARG 30 - HB3 LYS 65 lone 0 69 - 1 - HB2 ASN 33 - HB2 LYS 39 lone 0 74 - 1 - HB3 ASN 88 - HB2 LYS 115 lone 0 78 - 1 - HB2 ASN 10 - HB2 LYS 123 lone 0 91 - 0 - HB2 ASP 86 - HB2 LYS 115 lone 0 78 - 1 - HB2 ASP 86 - HB2 LYS 123 lone 0 89 - 0 - HB3 ASN 88 - HB2 LYS 123 lone 0 89 - 0 - HD3 ARG 30 - HB2 LYS 123 lone 0 69 - 1 - HB2 ASP 34 - HB2 LYS 39 lone 0 73 - 1 - HD3 ARG 30 - HB3 LYS 115 lone 0 66 - 1 - HB2 ASN 33 - HB3 LYS 40 lone 0 65 - 1 - HB2 ASP 86 - HB2 LYS 39 lone 0 65 - 1 - HB2 ASP 34 - HB3 LYS 40 lone 0 63 - 1 - HB2 ASN 10 - HB2 LYS 39 lone 0 67 - 0 - HD3 ARG 30 - HB2 LYS 115 lone 0 59 - 1 - HB3 ASN 88 - HB2 LYS 39 lone 0 65 - 0 - HB2 ASN 10 - HB3 LYS 40 lone 0 58 - 1 - HB2 ASP 86 - HB3 LYS 40 lone 0 56 - 1 - HD3 ARG 30 - HB2 LYS 39 lone 0 48 - 1 - HB3 ASN 88 - HB3 LYS 40 lone 0 56 - 1 - HE3 LYS 17 - HB3 LYS 39 lone 0 25 - 1 - HD3 ARG 30 - HB3 LYS 40 lone 0 40 - 1 - HB2 ASN 33 - HB3 LYS 39 lone 0 39 - 1 - HB2 ASP 34 - HB3 LYS 39 lone 0 38 - 0 - HB2 ASP 86 - HB3 LYS 39 lone 0 33 - 1 - HB2 ASN 10 - HB3 LYS 39 lone 0 35 - 0 - HB3 ASN 88 - HB3 LYS 39 lone 0 33 - 0 - HD3 ARG 30 - HB3 LYS 39 lone 0 24 - 1 - Peak 4812 from cnoeabs.peaks (2.92, 1.93, 32.27 ppm; 3.96 A): 16 out of 144 assignments used, quality = 1.00: * HE3 LYS 65 + HB2 LYS 65 OK 94 100 - 94 - 4.8=58, 4868/2.9=9...(77) HE2 LYS 65 + HB2 LYS 65 OK 94 100 - 94 - 4.8=58, 4868/2.9=9...(77) HE3 LYS 65 + HB3 LYS 65 OK 94 100 - 94 - 4.8=58, 4868/2.9=9...(77) HE2 LYS 65 + HB3 LYS 65 OK 94 100 - 94 - 4.8=58, 4868/2.9=9...(77) HE2 LYS 115 + HB3 LYS 115 OK 85 94 - 90 - 4.8=55, 6774/3.0=10...(58) HE3 LYS 115 + HB3 LYS 115 OK 85 94 - 90 - 4.8=55, 6774/3.0=10...(58) HE3 LYS 115 + HB2 LYS 115 OK 78 86 - 90 - 4.8=55, 6774/3.0=10...(58) HE2 LYS 115 + HB2 LYS 115 OK 78 86 - 90 - 4.8=55, 6774/3.0=10...(58) HE3 LYS 115 + HB2 LYS 65 OK 64 97 - 66 - 4878/2.9=4, 4832/2.9=3...(62) HE2 LYS 115 + HB2 LYS 65 OK 64 97 - 66 - 4878/2.9=4, 4832/2.9=3...(62) HE3 LYS 115 + HB3 LYS 65 OK 64 97 - 66 - 4868/2.9=4, 4832/2.9=3...(61) HE2 LYS 115 + HB3 LYS 65 OK 64 97 - 66 - 4868/2.9=4, 4832/2.9=3...(61) HE2 LYS 65 + HB3 LYS 115 OK 51 98 - 52 - 6774/3.0=4, ~6784=2...(24) HE3 LYS 65 + HB3 LYS 115 OK 51 98 - 52 - 6774/3.0=4, ~6784=2...(24) HE2 LYS 65 + HB2 LYS 115 OK 47 92 - 52 - 6774/3.0=4, ~6784=2...(24) HE3 LYS 65 + HB2 LYS 115 OK 47 92 - 52 - 6774/3.0=4, ~6784=2...(24) HE3 LYS 16 - HB3 LYS 40 OK 35 65 - 54 - ~2892=5, 6009/2.7=5...(31) HE2 LYS 16 - HB3 LYS 40 OK 35 65 - 54 - ~2892=5, 6009/2.7=5...(31) HE3 LYS 16 - HB3 LYS 115 lone 10 95 - 10 - HE2 LYS 16 - HB3 LYS 115 lone 10 95 - 10 - HE2 LYS 44 - HB2 LYS 123 poor 10 80 - 12 - HE3 LYS 44 - HB2 LYS 123 poor 10 80 - 12 - HE2 LYS 44 - HB2 LYS 39 poor 9 56 - 16 - ~3619=1, ~3609=1...(4) HE3 LYS 44 - HB2 LYS 39 poor 9 56 - 16 - ~3619=1, ~3609=1...(4) HE3 LYS 16 - HB2 LYS 115 lone 9 88 - 10 - HE2 LYS 16 - HB2 LYS 115 lone 9 88 - 10 - HE2 LYS 16 - HB3 LYS 65 lone 9 98 - 8 - HE3 LYS 16 - HB3 LYS 65 lone 9 98 - 8 - HE3 LYS 16 - HB2 LYS 65 lone 9 98 - 8 - HE2 LYS 16 - HB2 LYS 65 lone 9 98 - 8 - HE3 LYS 94 - HB2 LYS 65 lone 8 100 - 8 - HE3 LYS 94 - HB3 LYS 65 lone 7 100 - 7 - HE2 LYS 96 - HB3 LYS 40 poor 6 48 - 13 - 6.3/8046=2, ~3665=1 HE3 LYS 96 - HB3 LYS 40 poor 6 48 - 13 - 6.3/8046=2, ~3665=1 HE3 LYS 16 - HB2 LYS 39 lone 5 74 - 7 - HE2 LYS 16 - HB2 LYS 39 lone 5 74 - 7 - HE3 LYS 17 - HB3 LYS 115 lone 5 69 - 7 - ~2883=1, 1.8/2883=1 HE2 LYS 44 - HB3 LYS 39 poor 5 29 - 16 - ~3619=1, ~3609=1 HE3 LYS 44 - HB3 LYS 39 poor 5 29 - 16 - ~3619=1, ~3609=1 HE2 LYS 16 - HB2 LYS 123 lone 4 98 - 5 - HE3 LYS 16 - HB2 LYS 123 lone 4 98 - 5 - HE3 LYS 17 - HB2 LYS 115 lone 4 62 - 7 - 1.8/2883=1 HE3 LYS 65 - HB2 LYS 123 lone 4 100 - 4 - HE2 LYS 65 - HB2 LYS 123 lone 4 100 - 4 - HE3 LYS 115 - HB2 LYS 123 lone 4 96 - 4 - HE2 LYS 115 - HB2 LYS 123 lone 4 96 - 4 - HE3 LYS 94 - HB2 LYS 123 lone 4 100 - 4 - HE3 LYS 94 - HB3 LYS 115 lone 4 98 - 4 - HE3 LYS 17 - HB3 LYS 40 lone 4 43 - 8 - ~2882=2, ~2862=1, 2892/1.8=1 HE3 LYS 17 - HB2 LYS 123 lone 3 73 - 5 - HE3 LYS 96 - HB2 LYS 123 lone 3 80 - 4 - HE2 LYS 96 - HB2 LYS 123 lone 3 80 - 4 - HE3 LYS 94 - HB2 LYS 115 lone 3 92 - 3 - HE2 LYS 96 - HB2 LYS 39 lone 3 56 - 5 - HE3 LYS 96 - HB2 LYS 39 lone 3 56 - 5 - HE2 LYS 16 - HB3 LYS 39 lone 3 39 - 7 - HE3 LYS 16 - HB3 LYS 39 lone 3 39 - 7 - HE3 LYS 17 - HB3 LYS 65 lone 2 73 - 3 - HE3 LYS 17 - HB2 LYS 65 lone 2 73 - 3 - HE3 LYS 94 - HB2 LYS 39 lone 2 79 - 2 - HE2 LYS 115 - HB3 LYS 40 lone 2 63 - 3 - HE3 LYS 115 - HB3 LYS 40 lone 2 63 - 3 - HE3 LYS 44 - HB3 LYS 40 lone 2 48 - 3 - HE2 LYS 44 - HB3 LYS 40 lone 2 48 - 3 - HE2 LYS 96 - HB2 LYS 65 lone 1 81 - 2 - HE3 LYS 96 - HB2 LYS 65 lone 1 81 - 2 - HE2 LYS 96 - HB3 LYS 65 lone 1 80 - 2 - HE3 LYS 96 - HB3 LYS 65 lone 1 80 - 2 - HE3 LYS 96 - HB3 LYS 39 lone 1 29 - 5 - HE2 LYS 96 - HB3 LYS 39 lone 1 29 - 5 - HE3 LYS 94 - HB3 LYS 40 lone 1 69 - 2 - HE2 LYS 65 - HB2 LYS 39 lone 1 79 - 2 - HE3 LYS 65 - HB2 LYS 39 lone 1 79 - 2 - HE2 LYS 44 - HB3 LYS 65 lone 1 80 - 1 - HE3 LYS 44 - HB3 LYS 65 lone 1 80 - 1 - HE2 LYS 44 - HB2 LYS 65 lone 1 81 - 1 - HE3 LYS 44 - HB2 LYS 65 lone 1 81 - 1 - HE3 LYS 65 - HB3 LYS 40 lone 1 69 - 2 - HE2 LYS 65 - HB3 LYS 40 lone 1 69 - 2 - HE2 LYS 96 - HB3 LYS 115 lone 1 76 - 1 - HE3 LYS 96 - HB3 LYS 115 lone 1 76 - 1 - HE3 LYS 115 - HB2 LYS 39 lone 1 73 - 2 - HE2 LYS 115 - HB2 LYS 39 lone 1 73 - 2 - HE3 LYS 96 - HB2 LYS 115 lone 1 69 - 1 - HE2 LYS 96 - HB2 LYS 115 lone 1 69 - 1 - HE3 LYS 44 - HB3 LYS 115 lone 1 76 - 1 - HE2 LYS 44 - HB3 LYS 115 lone 1 76 - 1 - HE3 LYS 94 - HB3 LYS 39 lone 1 42 - 2 - HB2 ASP 34 - HB2 LYS 123 lone 1 96 - 1 - HE3 LYS 44 - HB2 LYS 115 lone 1 69 - 1 - HE2 LYS 44 - HB2 LYS 115 lone 1 69 - 1 - HB2 ASN 33 - HB3 LYS 115 lone 1 95 - 1 - HB2 ASN 33 - HB2 LYS 115 lone 1 88 - 1 - HB2 ASP 34 - HB3 LYS 115 lone 1 94 - 1 - HE3 LYS 17 - HB2 LYS 39 lone 1 51 - 1 - HB2 ASP 34 - HB2 LYS 65 lone 1 97 - 1 - HB2 ASP 34 - HB3 LYS 65 lone 1 97 - 1 - HB2 ASN 33 - HB2 LYS 65 lone 1 98 - 1 - HB2 ASN 33 - HB3 LYS 65 lone 1 98 - 1 - HE2 LYS 65 - HB3 LYS 39 lone 1 42 - 2 - HE3 LYS 65 - HB3 LYS 39 lone 1 42 - 2 - HB2 ASP 34 - HB2 LYS 115 lone 1 86 - 1 - HE2 LYS 115 - HB3 LYS 39 lone 1 38 - 2 - HE3 LYS 115 - HB3 LYS 39 lone 1 38 - 2 - HB3 ASN 88 - HB2 LYS 65 lone 1 90 - 1 - HB3 ASN 88 - HB3 LYS 65 lone 1 89 - 1 - HB2 ASN 10 - HB2 LYS 65 lone 1 92 - 1 - HB2 ASN 10 - HB3 LYS 65 lone 1 92 - 1 - HB2 ASN 10 - HB3 LYS 115 lone 1 88 - 1 - HB2 ASN 33 - HB2 LYS 123 lone 0 98 - 1 - HB3 ASN 88 - HB3 LYS 115 lone 1 85 - 1 - HB2 ASP 86 - HB3 LYS 115 lone 1 85 - 1 - HB2 ASP 86 - HB2 LYS 65 lone 0 90 - 1 - HB2 ASP 86 - HB3 LYS 65 lone 0 89 - 1 - HD3 ARG 30 - HB2 LYS 65 lone 0 70 - 1 - HB2 ASN 10 - HB2 LYS 115 lone 0 80 - 1 - HD3 ARG 30 - HB3 LYS 65 lone 0 69 - 1 - HB2 ASN 33 - HB2 LYS 39 lone 0 74 - 1 - HB3 ASN 88 - HB2 LYS 115 lone 0 78 - 1 - HB2 ASN 10 - HB2 LYS 123 lone 0 91 - 0 - HB2 ASP 86 - HB2 LYS 115 lone 0 78 - 1 - HB2 ASP 86 - HB2 LYS 123 lone 0 89 - 0 - HB3 ASN 88 - HB2 LYS 123 lone 0 89 - 0 - HD3 ARG 30 - HB2 LYS 123 lone 0 69 - 1 - HB2 ASP 34 - HB2 LYS 39 lone 0 73 - 1 - HD3 ARG 30 - HB3 LYS 115 lone 0 66 - 1 - HB2 ASN 33 - HB3 LYS 40 lone 0 65 - 1 - HB2 ASP 86 - HB2 LYS 39 lone 0 65 - 1 - HB2 ASP 34 - HB3 LYS 40 lone 0 63 - 1 - HB2 ASN 10 - HB2 LYS 39 lone 0 67 - 0 - HD3 ARG 30 - HB2 LYS 115 lone 0 59 - 1 - HB3 ASN 88 - HB2 LYS 39 lone 0 65 - 0 - HB2 ASN 10 - HB3 LYS 40 lone 0 58 - 1 - HB2 ASP 86 - HB3 LYS 40 lone 0 56 - 1 - HD3 ARG 30 - HB2 LYS 39 lone 0 48 - 1 - HB3 ASN 88 - HB3 LYS 40 lone 0 56 - 1 - HE3 LYS 17 - HB3 LYS 39 lone 0 25 - 1 - HD3 ARG 30 - HB3 LYS 40 lone 0 40 - 1 - HB2 ASN 33 - HB3 LYS 39 lone 0 39 - 1 - HB2 ASP 34 - HB3 LYS 39 lone 0 38 - 0 - HB2 ASP 86 - HB3 LYS 39 lone 0 33 - 1 - HB2 ASN 10 - HB3 LYS 39 lone 0 35 - 0 - HB3 ASN 88 - HB3 LYS 39 lone 0 33 - 0 - HD3 ARG 30 - HB3 LYS 39 lone 0 24 - 1 - Peak 4813 from cnoeabs.peaks (8.04, 1.93, 32.27 ppm; 3.38 A): 2 out of 72 assignments used, quality = 0.97: * H LYS 65 + HB3 LYS 65 OK 84 100 - 84 - 4.0=61, 1908/4.7=13...(18) H LYS 65 + HB2 LYS 65 OK 84 100 - 84 - 4.0=61, 1908/4.7=13...(18) H LYS 65 - HB3 LYS 115 OK 33 98 - 34 - 8261/3.0=6, 1426/3.0=5...(11) H LYS 65 - HB2 LYS 115 OK 32 94 - 34 - 8261/3.0=6, 1426/3.0=5...(11) H GLN 122 - HB2 LYS 123 OK 18 72 - 25 - 776/3.7=11, 2231/2.9=5...(7) H ARG 118 - HB3 LYS 115 OK 15 83 - 18 - 8261/3.0=9, 1424=2...(6) H ARG 118 - HB2 LYS 115 OK 15 77 - 19 - 8261/3.0=9, 4.3/10523=2...(6) H LYS 65 - HB2 LYS 123 lone 8 100 - 8 - 2089/3.7=3, 1424=1 H LEU 90 - HB3 LYS 65 lone 7 94 - 8 - 4833/2.9=2, 398/4.7=1 H LEU 90 - HB2 LYS 65 lone 7 94 - 8 - 4833/2.9=2, 398/4.7=1 H ARG 118 - HB3 LYS 65 lone 6 87 - 7 - 1908/4.7=1 H ARG 118 - HB2 LYS 65 lone 6 87 - 7 - 1908/4.7=1 H SER 72 - HB2 LYS 65 lone 5 77 - 6 - 2123/3.0=1 H SER 72 - HB3 LYS 65 lone 5 77 - 6 - 2123/3.0=1 H SER 72 - HB2 LYS 123 lone 4 76 - 6 - 4.7/436=2, 441/4.4=1 H THR 9 - HB3 LYS 65 lone 4 98 - 4 - H THR 9 - HB2 LYS 65 lone 4 98 - 4 - H GLN 122 - HB2 LYS 65 lone 3 73 - 5 - 398/4.7=1, 4.6/1810=1 H GLN 122 - HB3 LYS 65 lone 3 73 - 5 - 398/4.7=1, 4.6/1810=1 H LEU 90 - HB2 LYS 123 lone 3 93 - 3 - H ASP 109 - HB3 LYS 65 lone 2 100 - 2 - H ASP 109 - HB2 LYS 65 lone 2 100 - 2 - H SER 72 - HB3 LYS 115 lone 2 73 - 3 - H SER 72 - HB2 LYS 115 lone 2 68 - 3 - H THR 9 - HB3 LYS 115 lone 2 95 - 2 - H THR 9 - HB2 LYS 115 lone 2 90 - 2 - H VAL 22 - HB3 LYS 65 lone 2 100 - 2 - H VAL 22 - HB2 LYS 65 lone 2 100 - 2 - H LYS 65 - HB2 LYS 39 lone 2 79 - 2 - H ASP 109 - HB3 LYS 115 lone 1 98 - 1 - H ASP 109 - HB2 LYS 115 lone 1 94 - 1 - H GLN 122 - HB3 LYS 115 lone 1 69 - 2 - H ARG 118 - HB2 LYS 123 lone 1 86 - 1 - H THR 9 - HB2 LYS 123 lone 1 97 - 1 - H GLN 122 - HB2 LYS 115 lone 1 64 - 2 - H LEU 90 - HB3 LYS 115 lone 1 90 - 1 - H LEU 90 - HB2 LYS 115 lone 1 85 - 1 - H VAL 22 - HB2 LYS 123 lone 1 100 - 1 - H ASP 109 - HB2 LYS 123 lone 1 100 - 1 - H LYS 65 - HB3 LYS 40 lone 1 64 - 1 - H VAL 22 - HB3 LYS 115 lone 1 98 - 1 - H VAL 22 - HB2 LYS 115 lone 1 94 - 1 - H LEU 90 - HB2 LYS 39 lone 1 69 - 1 - H SER 72 - HB2 LYS 39 lone 1 53 - 1 - H GLN 122 - HB2 LYS 39 lone 1 50 - 1 - H GLY 26 - HB3 LYS 115 lone 1 61 - 1 - H LYS 65 - HB3 LYS 39 lone 1 38 - 2 - H GLY 26 - HB2 LYS 115 lone 1 57 - 1 - H GLY 26 - HB3 LYS 65 lone 1 65 - 1 - H GLY 26 - HB2 LYS 65 lone 1 65 - 1 - H ARG 118 - HB2 LYS 39 lone 1 62 - 1 - H LEU 90 - HB3 LYS 40 lone 0 56 - 1 - H THR 9 - HB2 LYS 39 lone 0 74 - 1 - H VAL 22 - HB2 LYS 39 lone 0 78 - 0 - H SER 72 - HB3 LYS 40 lone 0 42 - 1 - H ASP 109 - HB2 LYS 39 lone 0 78 - 0 - H GLN 122 - HB3 LYS 40 lone 0 40 - 1 - H ARG 118 - HB3 LYS 40 lone 0 49 - 1 - H GLY 26 - HB2 LYS 123 lone 0 64 - 0 - H GLY 26 - HB2 LYS 39 lone 0 44 - 1 - H THR 9 - HB3 LYS 40 lone 0 60 - 0 - H ASP 109 - HB3 LYS 40 lone 0 64 - 0 - H SER 72 - HB3 LYS 39 lone 0 24 - 1 - H VAL 22 - HB3 LYS 40 lone 0 64 - 0 - H GLN 122 - HB3 LYS 39 lone 0 23 - 1 - H VAL 22 - HB3 LYS 39 lone 0 38 - 0 - H THR 9 - HB3 LYS 39 lone 0 36 - 0 - H ARG 118 - HB3 LYS 39 lone 0 29 - 1 - H ASP 109 - HB3 LYS 39 lone 0 38 - 0 - H LEU 90 - HB3 LYS 39 lone 0 33 - 0 - H GLY 26 - HB3 LYS 39 lone 0 20 - 1 - H GLY 26 - HB3 LYS 40 lone 0 35 - 0 - Peak 4814 from cnoeabs.peaks (3.79, 1.93, 32.27 ppm; 3.11 A): 4 out of 4 assignments used, quality = 1.00: * HA LYS 65 + HB3 LYS 65 OK 100 100 - 100 - 3.0=100 HA LYS 65 + HB2 LYS 65 OK 100 100 - 100 - 3.0=100 HA LYS 115 + HB3 LYS 115 OK 95 95 - 100 - 3.0=100 HA LYS 115 + HB2 LYS 115 OK 90 90 - 100 - 3.0=100 Peak 4815 from cnoeabs.peaks (1.93, 1.93, 32.27 ppm; diagonal): 7 out of 8 assignments used, quality = 1.00: HB3 LYS 65 + HB3 LYS 65 OK 100 100 - 100 HB2 LYS 65 + HB2 LYS 65 OK 100 100 - 100 HB2 LYS 123 + HB2 LYS 123 OK 100 100 - 100 HB3 LYS 115 + HB3 LYS 115 OK 98 98 - 100 HB2 LYS 115 + HB2 LYS 115 OK 90 90 - 100 HB2 LYS 39 + HB2 LYS 39 OK 79 79 - 100 HB3 LYS 40 + HB3 LYS 40 OK 52 52 - 100 HB3 LYS 39 - HB3 LYS 39 OK 26 26 - 100 Reference assignment not found: HB2 LYS 65 - HB3 LYS 65 Peak 4816 from cnoeabs.peaks (1.93, 1.93, 32.27 ppm; diagonal): 7 out of 8 assignments used, quality = 1.00: * HB3 LYS 65 + HB3 LYS 65 OK 100 100 - 100 HB2 LYS 65 + HB2 LYS 65 OK 100 100 - 100 HB2 LYS 123 + HB2 LYS 123 OK 100 100 - 100 HB3 LYS 115 + HB3 LYS 115 OK 98 98 - 100 HB2 LYS 115 + HB2 LYS 115 OK 91 91 - 100 HB2 LYS 39 + HB2 LYS 39 OK 78 78 - 100 HB3 LYS 40 + HB3 LYS 40 OK 49 49 - 100 HB3 LYS 39 - HB3 LYS 39 OK 24 24 - 100 Peak 4817 from cnoeabs.peaks (1.55, 1.93, 32.27 ppm; 2.85 A): 4 out of 80 assignments used, quality = 1.00: * HG2 LYS 65 + HB3 LYS 65 OK 98 100 - 98 - 2.9=95, 4797/3.0=11...(20) HG2 LYS 65 + HB2 LYS 65 OK 98 100 - 98 - 2.9=95, 4797/3.0=11...(20) HG2 LYS 115 + HB3 LYS 115 OK 79 83 - 95 - 3.0=91, 6703/3.0=7...(19) HG2 LYS 115 + HB2 LYS 115 OK 74 77 - 95 - 3.0=91, 6703/3.0=7...(19) HG2 LYS 115 - HB3 LYS 65 OK 30 87 - 35 - 4797/3.0=4, 1426/4.0=3...(11) HG2 LYS 115 - HB2 LYS 65 OK 30 87 - 35 - 4797/3.0=4, 1426/4.0=3...(11) HG2 LYS 65 - HB3 LYS 115 OK 28 98 - 29 - 6703/3.0=3, 1753/4.0=3...(7) HG2 LYS 65 - HB2 LYS 115 OK 27 94 - 29 - 6703/3.0=3, 1753/4.0=3...(7) HD3 LYS 94 - HB2 LYS 65 lone 5 87 - 6 - HD2 LYS 94 - HB2 LYS 65 lone 5 87 - 6 - HD2 LYS 94 - HB3 LYS 65 lone 5 87 - 5 - HD3 LYS 94 - HB3 LYS 65 lone 5 87 - 5 - HG12 ILE 3 - HB2 LYS 123 lone 4 86 - 5 - ~10654=2, 2.1/10654=2, ~9015=1 HG2 LYS 65 - HB2 LYS 123 lone 3 100 - 3 - HG2 LYS 115 - HB2 LYS 123 lone 3 86 - 3 - QB ALA 46 - HB3 LYS 65 lone 3 100 - 3 - QB ALA 46 - HB2 LYS 65 lone 3 100 - 3 - HG12 ILE 3 - HB3 LYS 115 lone 2 83 - 2 - HG12 ILE 3 - HB2 LYS 115 lone 2 77 - 2 - HG12 ILE 3 - HB3 LYS 65 lone 2 87 - 2 - HG12 ILE 3 - HB2 LYS 65 lone 2 87 - 2 - HD3 LYS 94 - HB2 LYS 123 lone 1 86 - 2 - HD2 LYS 94 - HB2 LYS 123 lone 1 86 - 2 - HD3 LYS 94 - HB3 LYS 115 lone 1 83 - 2 - HD2 LYS 94 - HB3 LYS 115 lone 1 83 - 2 - HD2 LYS 94 - HB2 LYS 115 lone 1 77 - 2 - HD3 LYS 94 - HB2 LYS 115 lone 1 77 - 2 - QB ALA 46 - HB2 LYS 123 lone 1 100 - 1 - HD2 LYS 106 - HB3 LYS 115 lone 1 83 - 1 - HB VAL 78 - HB3 LYS 65 lone 1 96 - 1 - HB VAL 78 - HB2 LYS 65 lone 1 95 - 1 - HD3 LYS 106 - HB3 LYS 115 lone 1 79 - 1 - HD2 LYS 106 - HB2 LYS 115 lone 1 77 - 1 - QB ALA 46 - HB3 LYS 115 lone 1 98 - 1 - HD3 LYS 106 - HB2 LYS 115 lone 1 74 - 1 - QB ALA 46 - HB2 LYS 115 lone 1 94 - 1 - HB VAL 78 - HB3 LYS 115 lone 1 92 - 1 - HD2 LYS 106 - HB3 LYS 65 lone 1 87 - 1 - HD2 LYS 106 - HB2 LYS 65 lone 1 87 - 1 - HB VAL 78 - HB2 LYS 115 lone 1 87 - 1 - HD3 LYS 106 - HB3 LYS 65 lone 1 84 - 1 - HD3 LYS 106 - HB2 LYS 65 lone 1 84 - 1 - HB VAL 78 - HB2 LYS 123 lone 1 95 - 1 - HB VAL 78 - HB2 LYS 39 lone 1 71 - 1 - HG LEU 55 - HB3 LYS 115 lone 1 65 - 1 - HD3 LYS 94 - HB2 LYS 39 lone 1 62 - 1 - HD2 LYS 94 - HB2 LYS 39 lone 1 62 - 1 - HG2 LYS 65 - HB2 LYS 39 lone 1 79 - 1 - HG LEU 55 - HB2 LYS 115 lone 1 61 - 1 - HG2 LYS 115 - HB2 LYS 39 lone 0 62 - 1 - HG2 LYS 115 - HB3 LYS 40 lone 0 49 - 1 - HD2 LYS 94 - HB3 LYS 40 lone 0 49 - 1 - HD3 LYS 94 - HB3 LYS 40 lone 0 49 - 1 - HG LEU 55 - HB3 LYS 65 lone 0 70 - 1 - HG LEU 55 - HB2 LYS 65 lone 0 69 - 1 - HG2 LYS 65 - HB3 LYS 40 lone 0 64 - 1 - QB ALA 46 - HB3 LYS 40 lone 0 64 - 1 - HD2 LYS 106 - HB2 LYS 123 lone 0 86 - 0 - HD3 LYS 106 - HB2 LYS 123 lone 0 83 - 0 - QB ALA 46 - HB2 LYS 39 lone 0 78 - 0 - HD2 LYS 106 - HB2 LYS 39 lone 0 62 - 1 - HD3 LYS 106 - HB2 LYS 39 lone 0 59 - 1 - HG LEU 55 - HB2 LYS 123 lone 0 68 - 0 - HG12 ILE 3 - HB3 LYS 40 lone 0 49 - 1 - HG12 ILE 3 - HB2 LYS 39 lone 0 62 - 0 - HD3 LYS 94 - HB3 LYS 39 lone 0 29 - 1 - HD2 LYS 94 - HB3 LYS 39 lone 0 29 - 1 - HB VAL 78 - HB3 LYS 39 lone 0 34 - 1 - HG2 LYS 65 - HB3 LYS 39 lone 0 38 - 1 - HD2 LYS 106 - HB3 LYS 40 lone 0 49 - 0 - HG LEU 55 - HB3 LYS 40 lone 0 37 - 1 - HD3 LYS 106 - HB3 LYS 40 lone 0 47 - 0 - HG2 LYS 115 - HB3 LYS 39 lone 0 29 - 1 - HG LEU 55 - HB2 LYS 39 lone 0 47 - 0 - HB VAL 78 - HB3 LYS 40 lone 0 57 - 0 - HD2 LYS 106 - HB3 LYS 39 lone 0 29 - 0 - HD3 LYS 106 - HB3 LYS 39 lone 0 27 - 0 - QB ALA 46 - HB3 LYS 39 lone 0 38 - 0 - HG12 ILE 3 - HB3 LYS 39 lone 0 29 - 0 - HG LEU 55 - HB3 LYS 39 lone 0 21 - 0 - Peak 4818 from cnoeabs.peaks (1.34, 1.93, 32.27 ppm; 3.19 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 65 + HB3 LYS 65 OK 100 100 - 100 - 2.9=100 HG3 LYS 65 + HB2 LYS 65 OK 100 100 - 100 - 2.9=100 Peak 4819 from cnoeabs.peaks (1.65, 1.93, 32.27 ppm; 2.64 A): 8 out of 96 assignments used, quality = 1.00: HD2 LYS 65 + HB2 LYS 65 OK 81 100 - 81 - 3.4=47, 4839/2.9=6...(44) * HD2 LYS 65 + HB3 LYS 65 OK 81 100 - 81 - 3.4=47, 4839/2.9=6...(44) HD3 LYS 65 + HB3 LYS 65 OK 81 100 - 81 - 3.4=47, 4839/2.9=6...(46) HD3 LYS 65 + HB2 LYS 65 OK 81 100 - 81 - 3.4=47, 4839/2.9=6...(46) HD2 LYS 115 + HB3 LYS 115 OK 70 98 - 71 - 3.7=36, 6735/3.0=4...(41) HD3 LYS 115 + HB3 LYS 115 OK 69 96 - 72 - 3.7=36, 6735/3.0=4...(43) HD2 LYS 115 + HB2 LYS 115 OK 67 94 - 71 - 3.7=36, 6735/3.0=4...(41) HD3 LYS 115 + HB2 LYS 115 OK 65 91 - 72 - 3.7=36, 6735/3.0=4...(43) HD2 LYS 115 - HB3 LYS 65 OK 42 100 - 43 - 4839/2.9=3, 4799/3.0=2...(15) HD2 LYS 115 - HB2 LYS 65 OK 42 100 - 43 - 4839/2.9=3, 4799/3.0=2...(15) HD3 LYS 115 - HB3 LYS 65 OK 42 99 - 43 - 4839/2.9=3, 4799/3.0=2...(15) HD3 LYS 115 - HB2 LYS 65 OK 42 99 - 43 - 4839/2.9=3, 4799/3.0=2...(15) HD2 LYS 65 - HB3 LYS 115 OK 31 98 - 32 - 6705/3.0=2, 4855=1...(9) HD3 LYS 65 - HB3 LYS 115 OK 31 97 - 32 - 6705/3.0=2, 4855=1...(9) HD2 LYS 65 - HB2 LYS 115 OK 30 94 - 32 - 6705/3.0=2, 4856=1...(9) HD3 LYS 65 - HB2 LYS 115 OK 30 93 - 32 - 6705/3.0=2, 4856=1...(8) HG LEU 114 - HB3 LYS 115 OK 10 97 - 10 - 7884/4.0=2, 6705/3.0=2...(4) HG LEU 114 - HB2 LYS 115 poor 10 93 - 10 - 7884/4.0=2, 6705/3.0=2...(4) HG LEU 64 - HB3 LYS 65 lone 8 87 - 9 - ~10805=2, 7619/4.0=1...(4) HG LEU 64 - HB2 LYS 65 lone 8 87 - 9 - ~10805=2, 7619/4.0=1...(4) HG LEU 114 - HB3 LYS 65 lone 6 100 - 7 - ~8127=1 HG LEU 114 - HB2 LYS 65 lone 6 100 - 7 - ~8127=1 HG LEU 64 - HB3 LYS 115 lone 6 83 - 7 - ~10452=1 HG LEU 64 - HB2 LYS 115 lone 5 77 - 7 - ~10452=1 HD3 LYS 49 - HB2 LYS 123 lone 4 100 - 4 - HD2 LYS 49 - HB2 LYS 123 lone 4 100 - 4 - HG LEU 90 - HB3 LYS 65 lone 4 77 - 5 - ~10981=2 HG LEU 90 - HB2 LYS 65 lone 4 77 - 5 - ~10981=2 HD2 LYS 65 - HB2 LYS 123 lone 3 100 - 3 - HD3 LYS 65 - HB2 LYS 123 lone 3 99 - 3 - HD2 LYS 115 - HB2 LYS 123 lone 2 100 - 2 - HD3 LYS 115 - HB2 LYS 123 lone 2 98 - 2 - HG LEU 114 - HB2 LYS 123 lone 1 99 - 1 - HD3 LYS 49 - HB2 LYS 65 lone 1 100 - 1 - HD2 LYS 49 - HB2 LYS 65 lone 1 100 - 1 - HD2 LYS 49 - HB3 LYS 65 lone 1 100 - 1 - HD3 LYS 49 - HB3 LYS 65 lone 1 100 - 1 - HG LEU 90 - HB2 LYS 39 lone 1 53 - 2 - HB ILE 5 - HB3 LYS 115 lone 1 92 - 1 - HG LEU 64 - HB2 LYS 123 lone 1 86 - 1 - HD2 LYS 49 - HB3 LYS 115 lone 1 98 - 1 - HD3 LYS 49 - HB3 LYS 115 lone 1 98 - 1 - HB ILE 5 - HB2 LYS 115 lone 1 87 - 1 - HG LEU 90 - HB2 LYS 123 lone 1 76 - 1 - HB ILE 5 - HB2 LYS 123 lone 1 95 - 1 - HB ILE 5 - HB3 LYS 65 lone 1 96 - 1 - HB ILE 5 - HB2 LYS 65 lone 1 95 - 1 - HD3 LYS 49 - HB2 LYS 115 lone 1 94 - 1 - HD2 LYS 49 - HB2 LYS 115 lone 1 94 - 1 - HD2 LYS 115 - HB3 LYS 40 lone 1 64 - 1 - HD3 LYS 115 - HB3 LYS 40 lone 1 61 - 1 - HG LEU 114 - HB2 LYS 39 lone 1 77 - 1 - HD2 LYS 65 - HB3 LYS 40 lone 1 64 - 1 - HD3 LYS 65 - HB3 LYS 40 lone 1 63 - 1 - HD2 LYS 115 - HB2 LYS 39 lone 0 78 - 1 - HD2 LYS 49 - HB2 LYS 39 lone 0 78 - 1 - HD3 LYS 49 - HB2 LYS 39 lone 0 78 - 1 - HD3 LYS 115 - HB2 LYS 39 lone 0 76 - 1 - HD2 LYS 65 - HB2 LYS 39 lone 0 79 - 1 - HG LEU 90 - HB3 LYS 115 lone 0 73 - 1 - HD3 LYS 65 - HB2 LYS 39 lone 0 77 - 1 - HG LEU 64 - HB2 LYS 39 lone 0 62 - 1 - HG LEU 90 - HB3 LYS 39 lone 0 24 - 2 - HG LEU 90 - HB2 LYS 115 lone 0 68 - 1 - HB2 ARG 30 - HB2 LYS 65 lone 0 100 - 0 - HB2 ARG 30 - HB3 LYS 65 lone 0 100 - 0 - HB2 ARG 30 - HB3 LYS 115 lone 0 98 - 0 - HB2 ARG 30 - HB2 LYS 115 lone 0 94 - 0 - HB2 GLU 52 - HB2 LYS 65 lone 0 100 - 0 - HG LEU 114 - HB3 LYS 40 lone 0 63 - 1 - HB2 GLU 52 - HB3 LYS 65 lone 0 100 - 0 - HB2 GLU 52 - HB3 LYS 115 lone 0 98 - 0 - HG LEU 90 - HB3 LYS 40 lone 0 42 - 1 - HB2 GLU 52 - HB2 LYS 123 lone 0 100 - 0 - HB2 GLU 52 - HB2 LYS 115 lone 0 94 - 0 - HB ILE 5 - HB2 LYS 39 lone 0 71 - 0 - HB ILE 5 - HB3 LYS 40 lone 0 57 - 0 - HD2 LYS 115 - HB3 LYS 39 lone 0 38 - 1 - HD3 LYS 115 - HB3 LYS 39 lone 0 36 - 1 - HD3 LYS 65 - HB3 LYS 39 lone 0 38 - 1 - HD2 LYS 65 - HB3 LYS 39 lone 0 38 - 1 - HD2 LYS 49 - HB3 LYS 39 lone 0 38 - 1 - HD3 LYS 49 - HB3 LYS 39 lone 0 38 - 1 - HB2 ARG 30 - HB2 LYS 123 lone 0 100 - 0 - HG LEU 114 - HB3 LYS 39 lone 0 38 - 1 - HG LEU 64 - HB3 LYS 39 lone 0 29 - 1 - HB2 ARG 30 - HB2 LYS 39 lone 0 79 - 0 - HB2 GLU 52 - HB2 LYS 39 lone 0 78 - 0 - HB2 GLU 52 - HB3 LYS 40 lone 0 64 - 0 - HG LEU 64 - HB3 LYS 40 lone 0 49 - 0 - HD2 LYS 49 - HB3 LYS 40 lone 0 64 - 0 - HD3 LYS 49 - HB3 LYS 40 lone 0 64 - 0 - HB2 ARG 30 - HB3 LYS 40 lone 0 64 - 0 - HB ILE 5 - HB3 LYS 39 lone 0 34 - 0 - HB2 GLU 52 - HB3 LYS 39 lone 0 38 - 0 - HB2 ARG 30 - HB3 LYS 39 lone 0 38 - 0 - Peak 4820 from cnoeabs.peaks (1.65, 1.93, 32.27 ppm; 2.64 A): 8 out of 96 assignments used, quality = 1.00: HD3 LYS 65 + HB2 LYS 65 OK 81 100 - 81 - 3.4=47, 4840/2.9=6...(46) * HD3 LYS 65 + HB3 LYS 65 OK 81 100 - 81 - 3.4=47, 4840/2.9=6...(46) HD2 LYS 65 + HB3 LYS 65 OK 81 100 - 81 - 3.4=47, 4840/2.9=6...(44) HD2 LYS 65 + HB2 LYS 65 OK 81 100 - 81 - 3.4=47, 4840/2.9=6...(44) HD2 LYS 115 + HB3 LYS 115 OK 68 96 - 71 - 3.7=36, 6735/3.0=4...(41) HD3 LYS 115 + HB3 LYS 115 OK 66 92 - 71 - 3.7=36, 6735/3.0=4...(43) HD2 LYS 115 + HB2 LYS 115 OK 65 91 - 71 - 3.7=36, 6735/3.0=4...(41) HD3 LYS 115 + HB2 LYS 115 OK 62 87 - 71 - 3.7=36, 6735/3.0=4...(43) HD2 LYS 115 - HB3 LYS 65 OK 42 99 - 42 - 4839/2.9=3, 4799/3.0=2...(15) HD2 LYS 115 - HB2 LYS 65 OK 42 99 - 42 - 4839/2.9=3, 4799/3.0=2...(15) HD3 LYS 115 - HB3 LYS 65 OK 41 96 - 43 - 4839/2.9=3, 4799/3.0=2...(15) HD3 LYS 115 - HB2 LYS 65 OK 40 95 - 43 - 4839/2.9=3, 4799/3.0=2...(15) HD3 LYS 65 - HB3 LYS 115 OK 31 98 - 32 - 6705/3.0=2, 4855=1...(9) HD2 LYS 65 - HB3 LYS 115 OK 31 97 - 32 - 6705/3.0=2, 4855=1...(8) HD3 LYS 65 - HB2 LYS 115 OK 30 94 - 32 - 6705/3.0=2, 4856=1...(8) HD2 LYS 65 - HB2 LYS 115 OK 30 93 - 32 - 6705/3.0=2, 4856=1...(9) HG LEU 114 - HB3 LYS 115 OK 10 98 - 10 - 7884/4.0=2, 6705/3.0=2...(4) HG LEU 114 - HB2 LYS 115 poor 10 94 - 10 - 7884/4.0=2, 6705/3.0=2...(4) HG LEU 64 - HB3 LYS 65 lone 9 94 - 9 - ~10805=2, 5796/4.0=2...(4) HG LEU 64 - HB2 LYS 65 lone 9 94 - 9 - ~10805=2, 5796/4.0=2...(4) HG LEU 114 - HB3 LYS 65 lone 7 100 - 7 - ~8127=1 HG LEU 114 - HB2 LYS 65 lone 7 100 - 7 - ~8127=1 HG LEU 64 - HB3 LYS 115 lone 6 90 - 7 - ~10452=1 HG LEU 64 - HB2 LYS 115 lone 6 85 - 7 - ~10452=1 HG LEU 90 - HB3 LYS 65 lone 4 87 - 5 - ~10981=2 HD2 LYS 49 - HB2 LYS 123 lone 4 100 - 4 - HD3 LYS 49 - HB2 LYS 123 lone 4 100 - 4 - HG LEU 90 - HB2 LYS 65 lone 4 87 - 5 - ~10981=2 HD2 LYS 65 - HB2 LYS 123 lone 3 99 - 3 - HD3 LYS 65 - HB2 LYS 123 lone 3 100 - 3 - HD2 LYS 115 - HB2 LYS 123 lone 2 98 - 2 - HD3 LYS 115 - HB2 LYS 123 lone 2 95 - 2 - HG LEU 90 - HB2 LYS 39 lone 1 62 - 2 - HG LEU 114 - HB2 LYS 123 lone 1 100 - 1 - HD3 LYS 49 - HB2 LYS 65 lone 1 100 - 1 - HD2 LYS 49 - HB2 LYS 65 lone 1 100 - 1 - HD3 LYS 49 - HB3 LYS 65 lone 1 100 - 1 - HD2 LYS 49 - HB3 LYS 65 lone 1 100 - 1 - HB ILE 5 - HB3 LYS 115 lone 1 96 - 1 - HG LEU 64 - HB2 LYS 123 lone 1 93 - 1 - HG LEU 90 - HB2 LYS 123 lone 1 86 - 1 - HB ILE 5 - HB2 LYS 115 lone 1 91 - 1 - HD2 LYS 49 - HB3 LYS 115 lone 1 98 - 1 - HD3 LYS 49 - HB3 LYS 115 lone 1 98 - 1 - HB ILE 5 - HB2 LYS 123 lone 1 98 - 1 - HB ILE 5 - HB2 LYS 65 lone 1 99 - 1 - HB ILE 5 - HB3 LYS 65 lone 1 99 - 1 - HD3 LYS 49 - HB2 LYS 115 lone 1 94 - 1 - HD2 LYS 49 - HB2 LYS 115 lone 1 94 - 1 - HD2 LYS 115 - HB3 LYS 40 lone 1 61 - 1 - HD3 LYS 115 - HB3 LYS 40 lone 1 57 - 1 - HG LEU 90 - HB3 LYS 115 lone 1 83 - 1 - HG LEU 114 - HB2 LYS 39 lone 1 79 - 1 - HG LEU 90 - HB3 LYS 39 lone 1 29 - 2 - HG LEU 90 - HB2 LYS 115 lone 1 77 - 1 - HG LEU 64 - HB2 LYS 39 lone 1 69 - 1 - HD3 LYS 65 - HB3 LYS 40 lone 1 64 - 1 - HD2 LYS 65 - HB3 LYS 40 lone 1 63 - 1 - HD3 LYS 49 - HB2 LYS 39 lone 0 78 - 1 - HD2 LYS 49 - HB2 LYS 39 lone 0 78 - 1 - HD2 LYS 115 - HB2 LYS 39 lone 0 76 - 1 - HD3 LYS 65 - HB2 LYS 39 lone 0 79 - 1 - HD2 LYS 65 - HB2 LYS 39 lone 0 77 - 1 - HD3 LYS 115 - HB2 LYS 39 lone 0 71 - 1 - HB2 ARG 30 - HB2 LYS 65 lone 0 100 - 0 - HB2 ARG 30 - HB3 LYS 65 lone 0 100 - 0 - HB2 ARG 30 - HB3 LYS 115 lone 0 97 - 0 - HG LEU 90 - HB3 LYS 40 lone 0 49 - 1 - HG LEU 114 - HB3 LYS 40 lone 0 64 - 1 - HB2 ARG 30 - HB2 LYS 115 lone 0 93 - 0 - HB2 GLU 52 - HB2 LYS 65 lone 0 99 - 0 - HB2 GLU 52 - HB3 LYS 65 lone 0 99 - 0 - HB2 GLU 52 - HB3 LYS 115 lone 0 96 - 0 - HB ILE 5 - HB2 LYS 39 lone 0 76 - 0 - HB ILE 5 - HB3 LYS 40 lone 0 61 - 0 - HB2 GLU 52 - HB2 LYS 123 lone 0 98 - 0 - HB2 GLU 52 - HB2 LYS 115 lone 0 91 - 0 - HD2 LYS 115 - HB3 LYS 39 lone 0 36 - 1 - HD3 LYS 65 - HB3 LYS 39 lone 0 38 - 1 - HD2 LYS 65 - HB3 LYS 39 lone 0 38 - 1 - HD2 LYS 49 - HB3 LYS 39 lone 0 38 - 1 - HD3 LYS 49 - HB3 LYS 39 lone 0 38 - 1 - HB2 ARG 30 - HB2 LYS 123 lone 0 99 - 0 - HD3 LYS 115 - HB3 LYS 39 lone 0 34 - 1 - HG LEU 64 - HB3 LYS 39 lone 0 33 - 1 - HG LEU 114 - HB3 LYS 39 lone 0 38 - 1 - HG LEU 64 - HB3 LYS 40 lone 0 56 - 0 - HB2 ARG 30 - HB2 LYS 39 lone 0 77 - 0 - HB2 GLU 52 - HB2 LYS 39 lone 0 76 - 0 - HB2 GLU 52 - HB3 LYS 40 lone 0 61 - 0 - HD2 LYS 49 - HB3 LYS 40 lone 0 64 - 0 - HD3 LYS 49 - HB3 LYS 40 lone 0 64 - 0 - HB2 ARG 30 - HB3 LYS 40 lone 0 63 - 0 - HB ILE 5 - HB3 LYS 39 lone 0 36 - 0 - HB2 ARG 30 - HB3 LYS 39 lone 0 38 - 0 - HB2 GLU 52 - HB3 LYS 39 lone 0 36 - 0 - Peak 4821 from cnoeabs.peaks (2.92, 1.93, 32.27 ppm; 3.96 A): 16 out of 144 assignments used, quality = 1.00: HE3 LYS 65 + HB3 LYS 65 OK 94 100 - 94 - 4.8=58, 4878/2.9=9...(77) * HE2 LYS 65 + HB3 LYS 65 OK 94 100 - 94 - 4.8=58, 4878/2.9=9...(77) HE2 LYS 65 + HB2 LYS 65 OK 94 100 - 94 - 4.8=58, 4868/2.9=9...(77) HE3 LYS 65 + HB2 LYS 65 OK 94 100 - 94 - 4.8=58, 4868/2.9=9...(77) HE3 LYS 115 + HB3 LYS 115 OK 85 93 - 90 - 4.8=55, 6774/3.0=10...(58) HE2 LYS 115 + HB3 LYS 115 OK 85 93 - 90 - 4.8=55, 6774/3.0=10...(58) HE3 LYS 115 + HB2 LYS 115 OK 80 89 - 91 - 4.8=55, 6784/3.0=10...(58) HE2 LYS 115 + HB2 LYS 115 OK 80 89 - 91 - 4.8=55, 6784/3.0=10...(58) HE3 LYS 115 + HB3 LYS 65 OK 64 97 - 66 - 4868/2.9=4, 4832/2.9=3...(61) HE2 LYS 115 + HB3 LYS 65 OK 64 97 - 66 - 4868/2.9=4, 4832/2.9=3...(61) HE3 LYS 115 + HB2 LYS 65 OK 64 97 - 66 - 4878/2.9=4, 4832/2.9=3...(62) HE2 LYS 115 + HB2 LYS 65 OK 64 97 - 66 - 4878/2.9=4, 4832/2.9=3...(62) HE2 LYS 65 + HB3 LYS 115 OK 51 98 - 52 - 6774/3.0=4, ~6784=2...(24) HE3 LYS 65 + HB3 LYS 115 OK 51 98 - 52 - 6774/3.0=4, ~6784=2...(24) HE2 LYS 65 + HB2 LYS 115 OK 48 94 - 52 - 6774/3.0=4, ~6784=2...(24) HE3 LYS 65 + HB2 LYS 115 OK 48 94 - 52 - 6774/3.0=4, ~6784=2...(24) HE3 LYS 16 - HB3 LYS 40 OK 32 60 - 54 - ~2892=5, 6009/2.7=5...(31) HE2 LYS 16 - HB3 LYS 40 OK 32 60 - 54 - ~2892=5, 6009/2.7=5...(31) HE3 LYS 16 - HB3 LYS 115 lone 10 95 - 10 - HE2 LYS 16 - HB3 LYS 115 lone 10 95 - 10 - HE2 LYS 44 - HB2 LYS 123 poor 9 80 - 12 - HE3 LYS 44 - HB2 LYS 123 poor 9 80 - 12 - HE2 LYS 16 - HB2 LYS 115 lone 9 90 - 10 - HE3 LYS 16 - HB2 LYS 115 lone 9 90 - 10 - HE3 LYS 44 - HB2 LYS 39 poor 9 56 - 16 - ~3619=1, ~3609=1...(4) HE2 LYS 44 - HB2 LYS 39 poor 9 56 - 16 - ~3619=1, ~3609=1...(4) HE2 LYS 16 - HB3 LYS 65 lone 9 98 - 8 - HE3 LYS 16 - HB3 LYS 65 lone 9 98 - 8 - HE2 LYS 16 - HB2 LYS 65 lone 9 98 - 8 - HE3 LYS 16 - HB2 LYS 65 lone 9 98 - 8 - HE3 LYS 94 - HB2 LYS 65 lone 8 100 - 8 - HE3 LYS 94 - HB3 LYS 65 lone 7 100 - 7 - HE2 LYS 96 - HB3 LYS 40 poor 6 45 - 13 - 6.3/8046=2, ~3665=1 HE3 LYS 96 - HB3 LYS 40 poor 6 45 - 13 - 6.3/8046=2, ~3665=1 HE2 LYS 16 - HB2 LYS 39 lone 5 74 - 7 - HE3 LYS 16 - HB2 LYS 39 lone 5 74 - 7 - HE3 LYS 17 - HB3 LYS 115 lone 5 69 - 7 - ~2883=1, 1.8/2883=1 HE3 LYS 17 - HB2 LYS 115 lone 5 64 - 7 - 1.8/2883=1 HE2 LYS 16 - HB2 LYS 123 lone 4 97 - 4 - HE3 LYS 16 - HB2 LYS 123 lone 4 97 - 4 - HE2 LYS 44 - HB3 LYS 39 poor 4 26 - 16 - ~3619=1, ~3609=1 HE3 LYS 44 - HB3 LYS 39 poor 4 26 - 16 - ~3619=1, ~3609=1 HE2 LYS 65 - HB2 LYS 123 lone 4 100 - 4 - HE3 LYS 65 - HB2 LYS 123 lone 4 100 - 4 - HE2 LYS 115 - HB2 LYS 123 lone 4 96 - 4 - HE3 LYS 115 - HB2 LYS 123 lone 4 96 - 4 - HE3 LYS 94 - HB2 LYS 123 lone 4 100 - 4 - HE3 LYS 94 - HB3 LYS 115 lone 4 98 - 4 - HE3 LYS 17 - HB2 LYS 123 lone 4 72 - 5 - HE2 LYS 96 - HB2 LYS 123 lone 3 80 - 4 - HE3 LYS 96 - HB2 LYS 123 lone 3 80 - 4 - HE3 LYS 17 - HB3 LYS 40 lone 3 40 - 8 - ~2882=2, ~2862=1, 2892/1.8=1 HE3 LYS 94 - HB2 LYS 115 lone 3 94 - 3 - HE3 LYS 96 - HB2 LYS 39 lone 3 56 - 5 - HE2 LYS 96 - HB2 LYS 39 lone 3 56 - 5 - HE3 LYS 17 - HB3 LYS 65 lone 2 73 - 3 - HE2 LYS 16 - HB3 LYS 39 lone 3 36 - 7 - HE3 LYS 16 - HB3 LYS 39 lone 3 36 - 7 - HE3 LYS 17 - HB2 LYS 65 lone 2 73 - 3 - HE3 LYS 94 - HB2 LYS 39 lone 2 78 - 2 - HE2 LYS 115 - HB3 LYS 40 lone 2 59 - 3 - HE3 LYS 115 - HB3 LYS 40 lone 2 59 - 3 - HE3 LYS 44 - HB3 LYS 40 lone 1 45 - 3 - HE2 LYS 44 - HB3 LYS 40 lone 1 45 - 3 - HE2 LYS 96 - HB3 LYS 65 lone 1 81 - 2 - HE3 LYS 96 - HB3 LYS 65 lone 1 81 - 2 - HE2 LYS 96 - HB2 LYS 65 lone 1 80 - 2 - HE3 LYS 96 - HB2 LYS 65 lone 1 80 - 2 - HE3 LYS 65 - HB2 LYS 39 lone 1 79 - 2 - HE2 LYS 65 - HB2 LYS 39 lone 1 79 - 2 - HE3 LYS 44 - HB3 LYS 65 lone 1 81 - 1 - HE2 LYS 44 - HB3 LYS 65 lone 1 81 - 1 - HE2 LYS 44 - HB2 LYS 65 lone 1 80 - 1 - HE3 LYS 44 - HB2 LYS 65 lone 1 80 - 1 - HE3 LYS 94 - HB3 LYS 40 lone 1 64 - 2 - HE2 LYS 96 - HB3 LYS 39 lone 1 26 - 5 - HE3 LYS 96 - HB3 LYS 39 lone 1 26 - 5 - HE3 LYS 96 - HB3 LYS 115 lone 1 76 - 1 - HE2 LYS 96 - HB3 LYS 115 lone 1 76 - 1 - HE3 LYS 115 - HB2 LYS 39 lone 1 73 - 2 - HE2 LYS 115 - HB2 LYS 39 lone 1 73 - 2 - HE3 LYS 65 - HB3 LYS 40 lone 1 64 - 2 - HE2 LYS 65 - HB3 LYS 40 lone 1 64 - 2 - HE2 LYS 96 - HB2 LYS 115 lone 1 71 - 1 - HE3 LYS 96 - HB2 LYS 115 lone 1 71 - 1 - HE2 LYS 44 - HB3 LYS 115 lone 1 76 - 1 - HE3 LYS 44 - HB3 LYS 115 lone 1 76 - 1 - HB2 ASP 34 - HB2 LYS 123 lone 1 96 - 1 - HE2 LYS 44 - HB2 LYS 115 lone 1 71 - 1 - HE3 LYS 44 - HB2 LYS 115 lone 1 71 - 1 - HB2 ASN 33 - HB3 LYS 115 lone 1 95 - 1 - HE3 LYS 94 - HB3 LYS 39 lone 1 38 - 2 - HB2 ASN 33 - HB2 LYS 115 lone 1 90 - 1 - HB2 ASP 34 - HB3 LYS 115 lone 1 93 - 1 - HE3 LYS 17 - HB2 LYS 39 lone 1 50 - 1 - HB2 ASP 34 - HB3 LYS 65 lone 1 97 - 1 - HB2 ASP 34 - HB2 LYS 65 lone 1 97 - 1 - HB2 ASN 33 - HB3 LYS 65 lone 1 98 - 1 - HB2 ASP 34 - HB2 LYS 115 lone 1 89 - 1 - HB2 ASN 33 - HB2 LYS 65 lone 1 98 - 1 - HE2 LYS 65 - HB3 LYS 39 lone 1 38 - 2 - HE3 LYS 65 - HB3 LYS 39 lone 1 38 - 2 - HB3 ASN 88 - HB3 LYS 65 lone 1 90 - 1 - HB3 ASN 88 - HB2 LYS 65 lone 1 89 - 1 - HE3 LYS 115 - HB3 LYS 39 lone 1 35 - 2 - HE2 LYS 115 - HB3 LYS 39 lone 1 35 - 2 - HB2 ASN 10 - HB3 LYS 65 lone 1 92 - 1 - HB2 ASN 10 - HB2 LYS 65 lone 1 92 - 1 - HB2 ASN 10 - HB3 LYS 115 lone 1 88 - 1 - HB2 ASN 33 - HB2 LYS 123 lone 0 97 - 1 - HB3 ASN 88 - HB3 LYS 115 lone 1 85 - 1 - HB2 ASP 86 - HB3 LYS 115 lone 0 85 - 1 - HB2 ASP 86 - HB3 LYS 65 lone 0 90 - 1 - HB2 ASP 86 - HB2 LYS 65 lone 0 89 - 1 - HB2 ASN 10 - HB2 LYS 115 lone 0 83 - 1 - HB3 ASN 88 - HB2 LYS 115 lone 0 80 - 1 - HB2 ASP 86 - HB2 LYS 115 lone 0 80 - 1 - HD3 ARG 30 - HB3 LYS 65 lone 0 70 - 1 - HD3 ARG 30 - HB2 LYS 65 lone 0 69 - 1 - HB2 ASN 33 - HB2 LYS 39 lone 0 74 - 1 - HB2 ASN 10 - HB2 LYS 123 lone 0 91 - 0 - HB2 ASP 86 - HB2 LYS 123 lone 0 89 - 0 - HB3 ASN 88 - HB2 LYS 123 lone 0 89 - 0 - HD3 ARG 30 - HB2 LYS 123 lone 0 68 - 1 - HB2 ASP 34 - HB2 LYS 39 lone 0 73 - 1 - HD3 ARG 30 - HB3 LYS 115 lone 0 65 - 1 - HD3 ARG 30 - HB2 LYS 115 lone 0 61 - 1 - HB2 ASP 86 - HB2 LYS 39 lone 0 64 - 1 - HB2 ASN 10 - HB2 LYS 39 lone 0 67 - 0 - HB3 ASN 88 - HB2 LYS 39 lone 0 64 - 0 - HB2 ASN 33 - HB3 LYS 40 lone 0 60 - 1 - HB2 ASP 34 - HB3 LYS 40 lone 0 59 - 1 - HD3 ARG 30 - HB2 LYS 39 lone 0 47 - 1 - HB2 ASN 10 - HB3 LYS 40 lone 0 54 - 1 - HB2 ASP 86 - HB3 LYS 40 lone 0 52 - 1 - HB3 ASN 88 - HB3 LYS 40 lone 0 52 - 1 - HE3 LYS 17 - HB3 LYS 39 lone 0 23 - 1 - HD3 ARG 30 - HB3 LYS 40 lone 0 37 - 1 - HB2 ASN 33 - HB3 LYS 39 lone 0 36 - 1 - HB2 ASP 34 - HB3 LYS 39 lone 0 35 - 0 - HB2 ASP 86 - HB3 LYS 39 lone 0 30 - 1 - HB2 ASN 10 - HB3 LYS 39 lone 0 31 - 0 - HB3 ASN 88 - HB3 LYS 39 lone 0 30 - 0 - HD3 ARG 30 - HB3 LYS 39 lone 0 21 - 1 - Peak 4822 from cnoeabs.peaks (2.92, 1.93, 32.27 ppm; 3.96 A): 16 out of 144 assignments used, quality = 1.00: * HE3 LYS 65 + HB3 LYS 65 OK 94 100 - 94 - 4.8=58, 4878/2.9=9...(77) HE2 LYS 65 + HB3 LYS 65 OK 94 100 - 94 - 4.8=58, 4878/2.9=9...(77) HE2 LYS 65 + HB2 LYS 65 OK 94 100 - 94 - 4.8=58, 4868/2.9=9...(77) HE3 LYS 65 + HB2 LYS 65 OK 94 100 - 94 - 4.8=58, 4868/2.9=9...(77) HE3 LYS 115 + HB3 LYS 115 OK 85 93 - 90 - 4.8=55, 6774/3.0=10...(58) HE2 LYS 115 + HB3 LYS 115 OK 85 93 - 90 - 4.8=55, 6774/3.0=10...(58) HE3 LYS 115 + HB2 LYS 115 OK 80 89 - 91 - 4.8=55, 6784/3.0=10...(58) HE2 LYS 115 + HB2 LYS 115 OK 80 89 - 91 - 4.8=55, 6784/3.0=10...(58) HE3 LYS 115 + HB3 LYS 65 OK 64 97 - 66 - 4868/2.9=4, 4832/2.9=3...(61) HE2 LYS 115 + HB3 LYS 65 OK 64 97 - 66 - 4868/2.9=4, 4832/2.9=3...(61) HE3 LYS 115 + HB2 LYS 65 OK 64 97 - 66 - 4878/2.9=4, 4832/2.9=3...(62) HE2 LYS 115 + HB2 LYS 65 OK 64 97 - 66 - 4878/2.9=4, 4832/2.9=3...(62) HE2 LYS 65 + HB3 LYS 115 OK 51 98 - 52 - 6774/3.0=4, ~6784=2...(24) HE3 LYS 65 + HB3 LYS 115 OK 51 98 - 52 - 6774/3.0=4, ~6784=2...(24) HE2 LYS 65 + HB2 LYS 115 OK 48 94 - 52 - 6774/3.0=4, ~6784=2...(24) HE3 LYS 65 + HB2 LYS 115 OK 48 94 - 52 - 6774/3.0=4, ~6784=2...(24) HE3 LYS 16 - HB3 LYS 40 OK 32 60 - 54 - ~2892=5, 6009/2.7=5...(31) HE2 LYS 16 - HB3 LYS 40 OK 32 60 - 54 - ~2892=5, 6009/2.7=5...(31) HE3 LYS 16 - HB3 LYS 115 lone 10 95 - 10 - HE2 LYS 16 - HB3 LYS 115 lone 10 95 - 10 - HE2 LYS 44 - HB2 LYS 123 poor 9 80 - 12 - HE3 LYS 44 - HB2 LYS 123 poor 9 80 - 12 - HE2 LYS 16 - HB2 LYS 115 lone 9 90 - 10 - HE3 LYS 16 - HB2 LYS 115 lone 9 90 - 10 - HE3 LYS 44 - HB2 LYS 39 poor 9 56 - 16 - ~3619=1, ~3609=1...(4) HE2 LYS 44 - HB2 LYS 39 poor 9 56 - 16 - ~3619=1, ~3609=1...(4) HE2 LYS 16 - HB3 LYS 65 lone 9 98 - 8 - HE3 LYS 16 - HB3 LYS 65 lone 9 98 - 8 - HE2 LYS 16 - HB2 LYS 65 lone 9 98 - 8 - HE3 LYS 16 - HB2 LYS 65 lone 9 98 - 8 - HE3 LYS 94 - HB2 LYS 65 lone 8 100 - 8 - HE3 LYS 94 - HB3 LYS 65 lone 7 100 - 7 - HE2 LYS 96 - HB3 LYS 40 poor 6 45 - 13 - 6.3/8046=2, ~3665=1 HE3 LYS 96 - HB3 LYS 40 poor 6 45 - 13 - 6.3/8046=2, ~3665=1 HE2 LYS 16 - HB2 LYS 39 lone 5 74 - 7 - HE3 LYS 16 - HB2 LYS 39 lone 5 74 - 7 - HE3 LYS 17 - HB3 LYS 115 lone 5 69 - 7 - ~2883=1, 1.8/2883=1 HE3 LYS 17 - HB2 LYS 115 lone 5 64 - 7 - 1.8/2883=1 HE2 LYS 16 - HB2 LYS 123 lone 4 97 - 4 - HE3 LYS 16 - HB2 LYS 123 lone 4 97 - 4 - HE2 LYS 44 - HB3 LYS 39 poor 4 26 - 16 - ~3619=1, ~3609=1 HE3 LYS 44 - HB3 LYS 39 poor 4 26 - 16 - ~3619=1, ~3609=1 HE2 LYS 65 - HB2 LYS 123 lone 4 100 - 4 - HE3 LYS 65 - HB2 LYS 123 lone 4 100 - 4 - HE2 LYS 115 - HB2 LYS 123 lone 4 96 - 4 - HE3 LYS 115 - HB2 LYS 123 lone 4 96 - 4 - HE3 LYS 94 - HB2 LYS 123 lone 4 100 - 4 - HE3 LYS 94 - HB3 LYS 115 lone 4 98 - 4 - HE3 LYS 17 - HB2 LYS 123 lone 4 72 - 5 - HE2 LYS 96 - HB2 LYS 123 lone 3 80 - 4 - HE3 LYS 96 - HB2 LYS 123 lone 3 80 - 4 - HE3 LYS 17 - HB3 LYS 40 lone 3 40 - 8 - ~2882=2, ~2862=1, 2892/1.8=1 HE3 LYS 94 - HB2 LYS 115 lone 3 94 - 3 - HE3 LYS 96 - HB2 LYS 39 lone 3 56 - 5 - HE2 LYS 96 - HB2 LYS 39 lone 3 56 - 5 - HE3 LYS 17 - HB3 LYS 65 lone 2 73 - 3 - HE2 LYS 16 - HB3 LYS 39 lone 3 36 - 7 - HE3 LYS 16 - HB3 LYS 39 lone 3 36 - 7 - HE3 LYS 17 - HB2 LYS 65 lone 2 73 - 3 - HE3 LYS 94 - HB2 LYS 39 lone 2 78 - 2 - HE2 LYS 115 - HB3 LYS 40 lone 2 59 - 3 - HE3 LYS 115 - HB3 LYS 40 lone 2 59 - 3 - HE3 LYS 44 - HB3 LYS 40 lone 1 45 - 3 - HE2 LYS 44 - HB3 LYS 40 lone 1 45 - 3 - HE2 LYS 96 - HB3 LYS 65 lone 1 81 - 2 - HE3 LYS 96 - HB3 LYS 65 lone 1 81 - 2 - HE2 LYS 96 - HB2 LYS 65 lone 1 80 - 2 - HE3 LYS 96 - HB2 LYS 65 lone 1 80 - 2 - HE3 LYS 65 - HB2 LYS 39 lone 1 79 - 2 - HE2 LYS 65 - HB2 LYS 39 lone 1 79 - 2 - HE3 LYS 44 - HB3 LYS 65 lone 1 81 - 1 - HE2 LYS 44 - HB3 LYS 65 lone 1 81 - 1 - HE2 LYS 44 - HB2 LYS 65 lone 1 80 - 1 - HE3 LYS 44 - HB2 LYS 65 lone 1 80 - 1 - HE3 LYS 94 - HB3 LYS 40 lone 1 64 - 2 - HE2 LYS 96 - HB3 LYS 39 lone 1 26 - 5 - HE3 LYS 96 - HB3 LYS 39 lone 1 26 - 5 - HE3 LYS 96 - HB3 LYS 115 lone 1 76 - 1 - HE2 LYS 96 - HB3 LYS 115 lone 1 76 - 1 - HE3 LYS 115 - HB2 LYS 39 lone 1 73 - 2 - HE2 LYS 115 - HB2 LYS 39 lone 1 73 - 2 - HE3 LYS 65 - HB3 LYS 40 lone 1 64 - 2 - HE2 LYS 65 - HB3 LYS 40 lone 1 64 - 2 - HE2 LYS 96 - HB2 LYS 115 lone 1 71 - 1 - HE3 LYS 96 - HB2 LYS 115 lone 1 71 - 1 - HE2 LYS 44 - HB3 LYS 115 lone 1 76 - 1 - HE3 LYS 44 - HB3 LYS 115 lone 1 76 - 1 - HB2 ASP 34 - HB2 LYS 123 lone 1 96 - 1 - HE2 LYS 44 - HB2 LYS 115 lone 1 71 - 1 - HE3 LYS 44 - HB2 LYS 115 lone 1 71 - 1 - HB2 ASN 33 - HB3 LYS 115 lone 1 95 - 1 - HE3 LYS 94 - HB3 LYS 39 lone 1 38 - 2 - HB2 ASN 33 - HB2 LYS 115 lone 1 90 - 1 - HB2 ASP 34 - HB3 LYS 115 lone 1 93 - 1 - HE3 LYS 17 - HB2 LYS 39 lone 1 50 - 1 - HB2 ASP 34 - HB3 LYS 65 lone 1 97 - 1 - HB2 ASP 34 - HB2 LYS 65 lone 1 97 - 1 - HB2 ASN 33 - HB3 LYS 65 lone 1 98 - 1 - HB2 ASP 34 - HB2 LYS 115 lone 1 89 - 1 - HB2 ASN 33 - HB2 LYS 65 lone 1 98 - 1 - HE2 LYS 65 - HB3 LYS 39 lone 1 38 - 2 - HE3 LYS 65 - HB3 LYS 39 lone 1 38 - 2 - HB3 ASN 88 - HB3 LYS 65 lone 1 90 - 1 - HB3 ASN 88 - HB2 LYS 65 lone 1 89 - 1 - HE3 LYS 115 - HB3 LYS 39 lone 1 35 - 2 - HE2 LYS 115 - HB3 LYS 39 lone 1 35 - 2 - HB2 ASN 10 - HB3 LYS 65 lone 1 92 - 1 - HB2 ASN 10 - HB2 LYS 65 lone 1 92 - 1 - HB2 ASN 10 - HB3 LYS 115 lone 1 88 - 1 - HB2 ASN 33 - HB2 LYS 123 lone 0 97 - 1 - HB3 ASN 88 - HB3 LYS 115 lone 1 85 - 1 - HB2 ASP 86 - HB3 LYS 115 lone 0 85 - 1 - HB2 ASP 86 - HB3 LYS 65 lone 0 90 - 1 - HB2 ASP 86 - HB2 LYS 65 lone 0 89 - 1 - HB2 ASN 10 - HB2 LYS 115 lone 0 83 - 1 - HB3 ASN 88 - HB2 LYS 115 lone 0 80 - 1 - HB2 ASP 86 - HB2 LYS 115 lone 0 80 - 1 - HD3 ARG 30 - HB3 LYS 65 lone 0 70 - 1 - HD3 ARG 30 - HB2 LYS 65 lone 0 69 - 1 - HB2 ASN 33 - HB2 LYS 39 lone 0 74 - 1 - HB2 ASN 10 - HB2 LYS 123 lone 0 91 - 0 - HB2 ASP 86 - HB2 LYS 123 lone 0 89 - 0 - HB3 ASN 88 - HB2 LYS 123 lone 0 89 - 0 - HD3 ARG 30 - HB2 LYS 123 lone 0 68 - 1 - HB2 ASP 34 - HB2 LYS 39 lone 0 73 - 1 - HD3 ARG 30 - HB3 LYS 115 lone 0 65 - 1 - HD3 ARG 30 - HB2 LYS 115 lone 0 61 - 1 - HB2 ASP 86 - HB2 LYS 39 lone 0 64 - 1 - HB2 ASN 10 - HB2 LYS 39 lone 0 67 - 0 - HB3 ASN 88 - HB2 LYS 39 lone 0 64 - 0 - HB2 ASN 33 - HB3 LYS 40 lone 0 60 - 1 - HB2 ASP 34 - HB3 LYS 40 lone 0 59 - 1 - HD3 ARG 30 - HB2 LYS 39 lone 0 47 - 1 - HB2 ASN 10 - HB3 LYS 40 lone 0 54 - 1 - HB2 ASP 86 - HB3 LYS 40 lone 0 52 - 1 - HB3 ASN 88 - HB3 LYS 40 lone 0 52 - 1 - HE3 LYS 17 - HB3 LYS 39 lone 0 23 - 1 - HD3 ARG 30 - HB3 LYS 40 lone 0 37 - 1 - HB2 ASN 33 - HB3 LYS 39 lone 0 36 - 1 - HB2 ASP 34 - HB3 LYS 39 lone 0 35 - 0 - HB2 ASP 86 - HB3 LYS 39 lone 0 30 - 1 - HB2 ASN 10 - HB3 LYS 39 lone 0 31 - 0 - HB3 ASN 88 - HB3 LYS 39 lone 0 30 - 0 - HD3 ARG 30 - HB3 LYS 39 lone 0 21 - 1 - Peak 4823 from cnoeabs.peaks (8.04, 1.55, 24.91 ppm; 4.16 A): 3 out of 18 assignments used, quality = 0.95: * H LYS 65 + HG2 LYS 65 OK 90 100 - 90 - 5.0=59, 3.0/4797=22...(19) H LYS 65 + HG2 LYS 115 OK 39 73 - 53 - 1426=11, 3.0/4797=9...(19) H ARG 118 + HG2 LYS 115 OK 11 57 - 20 - 8261/3.9=11, 1426=3...(6) H LEU 90 - HG2 LYS 65 poor 10 94 - 10 - 4833/1.8=4, 1594/3.0=2 H ARG 118 - HG2 LYS 65 lone 7 87 - 8 - 4833/1.8=1, 1426=1, 8261/6703=1 H SER 72 - HG2 LYS 65 lone 5 77 - 7 - 2123/3.9=2, 4.1/9788=1 H THR 9 - HG2 LYS 65 lone 5 98 - 5 - 4833/1.8=1, 1426=1 H ASP 109 - HG2 LYS 65 lone 3 100 - 3 - 4833/1.8=1 H SER 72 - HG2 LYS 115 lone 3 49 - 5 - 9802/5.0=1, 4.1/9788=1 H GLN 122 - HG2 LYS 65 lone 2 73 - 3 - H VAL 22 - HG2 LYS 65 lone 2 100 - 2 - H THR 9 - HG2 LYS 115 lone 2 69 - 3 - H ASP 109 - HG2 LYS 115 lone 1 73 - 2 - H LEU 90 - HG2 LYS 115 lone 1 64 - 2 - H VAL 22 - HG2 LYS 115 lone 1 73 - 1 - H GLY 26 - HG2 LYS 65 lone 1 65 - 1 - H GLN 122 - HG2 LYS 115 lone 1 46 - 1 - H GLY 26 - HG2 LYS 115 lone 1 41 - 2 - Peak 4824 from cnoeabs.peaks (3.79, 1.55, 24.91 ppm; 3.64 A): 3 out of 10 assignments used, quality = 0.99: * HA LYS 65 + HG2 LYS 65 OK 95 100 - 95 - 3.9=79, 4798/1.8=21...(21) HA LYS 115 + HG2 LYS 115 OK 65 69 - 94 - 3.9=79, 3.6/729=13...(20) HA LYS 115 + HG2 LYS 65 OK 51 98 - 52 - 6703=10, 3.0/1753=6...(21) HA LYS 65 - HG2 LYS 115 OK 34 73 - 47 - 4797=12, 3.0/1426=6...(14) HA ALA 113 - HG2 LYS 115 lone 4 69 - 7 - 8251/729=3, ~10431=1 HA LEU 68 - HG2 LYS 65 lone 4 77 - 5 - 8148/5.0=2, 3.6/1301=1 HA ALA 113 - HG2 LYS 65 lone 2 98 - 2 - 8251/729=1 HA LEU 68 - HG2 LYS 115 lone 1 49 - 2 - HB2 SER 58 - HG2 LYS 65 lone 0 81 - 1 - HB2 SER 58 - HG2 LYS 115 lone 0 52 - 1 - Peak 4825 from cnoeabs.peaks (1.93, 1.55, 24.91 ppm; 2.98 A): 4 out of 4 assignments used, quality = 1.00: * HB2 LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 2.9=100 HB3 LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 2.9=100 HB3 LYS 115 + HG2 LYS 115 OK 73 73 - 100 - 3.0=100 HB2 LYS 115 + HG2 LYS 115 OK 69 69 - 100 - 3.0=100 Peak 4826 from cnoeabs.peaks (1.93, 1.55, 24.91 ppm; 2.98 A): 4 out of 4 assignments used, quality = 1.00: * HB3 LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 2.9=100 HB2 LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 2.9=100 HB3 LYS 115 + HG2 LYS 115 OK 73 73 - 100 - 3.0=100 HB2 LYS 115 + HG2 LYS 115 OK 70 70 - 100 - 3.0=100 Peak 4827 from cnoeabs.peaks (1.55, 1.55, 24.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 65 + HG2 LYS 65 OK 100 100 - 100 HG2 LYS 115 + HG2 LYS 115 OK 57 57 - 100 Peak 4828 from cnoeabs.peaks (1.34, 1.55, 24.91 ppm; 2.68 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 65 + HG2 LYS 65 OK 100 100 - 100 - 1.8=100 Peak 4829 from cnoeabs.peaks (1.65, 1.55, 24.91 ppm; 2.45 A): 4 out of 24 assignments used, quality = 0.99: * HD2 LYS 65 + HG2 LYS 65 OK 80 100 - 80 - 3.0=57, 4839/1.8=8...(15) HD3 LYS 65 + HG2 LYS 65 OK 79 100 - 80 - 3.0=57, 4839/1.8=8...(15) HD2 LYS 115 + HG2 LYS 115 OK 54 73 - 75 - 2.9=60, 1.8/6763=5...(10) HD3 LYS 115 + HG2 LYS 115 OK 53 70 - 75 - 2.9=60, 1.8/4847=5...(10) HD2 LYS 115 - HG2 LYS 65 OK 32 100 - 33 - 4847=4, 4839/1.8=3...(11) HD3 LYS 115 - HG2 LYS 65 OK 32 99 - 33 - 4847=4, 4839/1.8=3...(11) HD2 LYS 65 - HG2 LYS 115 OK 17 73 - 23 - 4857=2, 1.8/4857=2...(4) HD3 LYS 65 - HG2 LYS 115 OK 17 72 - 23 - 4857=2, 1.8/4857=2...(4) HG LEU 64 - HG2 LYS 65 lone 5 87 - 6 - ~10805=2 HG LEU 114 - HG2 LYS 115 lone 4 72 - 5 - 7884/5.0=1, 6705/3.9=1 HG LEU 90 - HG2 LYS 65 lone 3 77 - 4 - ~10981=2 HG LEU 114 - HG2 LYS 65 lone 2 100 - 2 - HG LEU 64 - HG2 LYS 115 lone 1 57 - 2 - HD3 LYS 49 - HG2 LYS 65 lone 1 100 - 1 - HD2 LYS 49 - HG2 LYS 65 lone 1 100 - 1 - HD2 LYS 49 - HG2 LYS 115 lone 0 73 - 0 - HD3 LYS 49 - HG2 LYS 115 lone 0 73 - 0 - HB ILE 5 - HG2 LYS 65 lone 0 96 - 0 - HB2 ARG 30 - HG2 LYS 65 lone 0 100 - 0 - HB2 GLU 52 - HG2 LYS 65 lone 0 100 - 0 - HB ILE 5 - HG2 LYS 115 lone 0 66 - 0 - HB2 ARG 30 - HG2 LYS 115 lone 0 73 - 0 - HG LEU 90 - HG2 LYS 115 lone 0 49 - 0 - HB2 GLU 52 - HG2 LYS 115 lone 0 73 - 0 - Peak 4830 from cnoeabs.peaks (1.65, 1.55, 24.91 ppm; 2.45 A): 4 out of 24 assignments used, quality = 0.99: * HD3 LYS 65 + HG2 LYS 65 OK 80 100 - 80 - 3.0=57, 4840/1.8=8...(15) HD2 LYS 65 + HG2 LYS 65 OK 79 100 - 80 - 3.0=57, 4840/1.8=8...(15) HD2 LYS 115 + HG2 LYS 115 OK 53 70 - 75 - 2.9=60, 1.8/6763=5...(10) HD3 LYS 115 + HG2 LYS 115 OK 49 66 - 75 - 2.9=60, 1.8/4847=5...(10) HD2 LYS 115 - HG2 LYS 65 OK 32 99 - 33 - 4857=4, 4839/1.8=3...(11) HD3 LYS 115 - HG2 LYS 65 OK 31 96 - 33 - 4847=4, 4839/1.8=3...(11) HD3 LYS 65 - HG2 LYS 115 OK 17 73 - 23 - 4857=3, 1.8/4857=2...(4) HD2 LYS 65 - HG2 LYS 115 OK 16 72 - 23 - 4857=2, 1.8/4857=2...(4) HG LEU 64 - HG2 LYS 65 lone 6 94 - 7 - ~10805=2 HG LEU 114 - HG2 LYS 115 lone 4 73 - 5 - 7884/5.0=1, 6705/3.9=1 HG LEU 90 - HG2 LYS 65 lone 3 87 - 4 - ~10981=2 HG LEU 114 - HG2 LYS 65 lone 2 100 - 2 - HG LEU 64 - HG2 LYS 115 lone 1 64 - 2 - HD3 LYS 49 - HG2 LYS 65 lone 1 100 - 1 - HD2 LYS 49 - HG2 LYS 65 lone 1 100 - 1 - HD2 LYS 49 - HG2 LYS 115 lone 0 73 - 0 - HD3 LYS 49 - HG2 LYS 115 lone 0 73 - 0 - HB ILE 5 - HG2 LYS 65 lone 0 99 - 0 - HB2 ARG 30 - HG2 LYS 65 lone 0 100 - 0 - HB2 GLU 52 - HG2 LYS 65 lone 0 99 - 0 - HB ILE 5 - HG2 LYS 115 lone 0 70 - 0 - HG LEU 90 - HG2 LYS 115 lone 0 57 - 0 - HB2 ARG 30 - HG2 LYS 115 lone 0 72 - 0 - HB2 GLU 52 - HG2 LYS 115 lone 0 70 - 0 - Peak 4831 from cnoeabs.peaks (2.92, 1.55, 24.91 ppm; 3.63 A): 6 out of 36 assignments used, quality = 1.00: HE3 LYS 65 + HG2 LYS 65 OK 99 100 - 99 - 3.7=94, 4868/1.8=11...(44) * HE2 LYS 65 + HG2 LYS 65 OK 99 100 - 99 - 3.7=94, 4868/1.8=11...(44) HE2 LYS 115 + HG2 LYS 115 OK 67 68 - 99 - 3.7=95, 6784/1.8=11...(34) HE3 LYS 115 + HG2 LYS 115 OK 67 68 - 99 - 3.7=95, 6784/1.8=11...(34) HE3 LYS 115 + HG2 LYS 65 OK 51 97 - 53 - 4868/1.8=5, 3.0/4830=3...(18) HE2 LYS 115 + HG2 LYS 65 OK 51 97 - 53 - 4868/1.8=5, 3.0/4830=3...(18) HE3 LYS 65 - HG2 LYS 115 OK 29 73 - 40 - 6774/1.8=4, ~6784=3...(12) HE2 LYS 65 - HG2 LYS 115 OK 29 73 - 40 - 6774/1.8=4, ~6784=3...(12) HE3 LYS 16 - HG2 LYS 65 lone 6 98 - 6 - HE2 LYS 16 - HG2 LYS 65 lone 6 98 - 6 - HE2 LYS 16 - HG2 LYS 115 lone 6 69 - 8 - HE3 LYS 16 - HG2 LYS 115 lone 6 69 - 8 - HE3 LYS 94 - HG2 LYS 65 lone 4 100 - 4 - HE3 LYS 94 - HG2 LYS 115 lone 2 73 - 2 - HE3 LYS 17 - HG2 LYS 115 lone 1 46 - 3 - HE3 LYS 17 - HG2 LYS 65 lone 1 73 - 1 - HE2 LYS 96 - HG2 LYS 65 lone 1 81 - 1 - HE3 LYS 96 - HG2 LYS 65 lone 1 81 - 1 - HE2 LYS 44 - HG2 LYS 65 lone 1 81 - 1 - HE3 LYS 44 - HG2 LYS 65 lone 1 81 - 1 - HB2 ASP 34 - HG2 LYS 65 lone 0 97 - 1 - HB2 ASN 33 - HG2 LYS 65 lone 0 98 - 0 - HB3 ASN 88 - HG2 LYS 65 lone 0 90 - 1 - HB2 ASP 86 - HG2 LYS 65 lone 0 90 - 1 - HE2 LYS 96 - HG2 LYS 115 lone 0 52 - 1 - HE3 LYS 96 - HG2 LYS 115 lone 0 52 - 1 - HB2 ASN 33 - HG2 LYS 115 lone 0 69 - 1 - HB2 ASP 34 - HG2 LYS 115 lone 0 68 - 1 - HB2 ASN 10 - HG2 LYS 65 lone 0 92 - 0 - HE3 LYS 44 - HG2 LYS 115 lone 0 52 - 1 - HE2 LYS 44 - HG2 LYS 115 lone 0 52 - 1 - HD3 ARG 30 - HG2 LYS 65 lone 0 70 - 0 - HB3 ASN 88 - HG2 LYS 115 lone 0 60 - 0 - HB2 ASP 86 - HG2 LYS 115 lone 0 60 - 0 - HB2 ASN 10 - HG2 LYS 115 lone 0 62 - 0 - HD3 ARG 30 - HG2 LYS 115 lone 0 44 - 0 - Peak 4832 from cnoeabs.peaks (2.92, 1.55, 24.91 ppm; 3.63 A): 6 out of 36 assignments used, quality = 1.00: * HE3 LYS 65 + HG2 LYS 65 OK 99 100 - 99 - 3.7=94, 4868/1.8=11...(44) HE2 LYS 65 + HG2 LYS 65 OK 99 100 - 99 - 3.7=94, 4868/1.8=11...(44) HE2 LYS 115 + HG2 LYS 115 OK 67 68 - 99 - 3.7=95, 6784/1.8=11...(34) HE3 LYS 115 + HG2 LYS 115 OK 67 68 - 99 - 3.7=95, 6784/1.8=11...(34) HE3 LYS 115 + HG2 LYS 65 OK 51 97 - 53 - 4868/1.8=5, 3.0/4830=3...(18) HE2 LYS 115 + HG2 LYS 65 OK 51 97 - 53 - 4868/1.8=5, 3.0/4830=3...(18) HE3 LYS 65 - HG2 LYS 115 OK 29 73 - 40 - 6774/1.8=4, ~6784=3...(12) HE2 LYS 65 - HG2 LYS 115 OK 29 73 - 40 - 6774/1.8=4, ~6784=3...(12) HE3 LYS 16 - HG2 LYS 65 lone 6 98 - 6 - HE2 LYS 16 - HG2 LYS 65 lone 6 98 - 6 - HE2 LYS 16 - HG2 LYS 115 lone 6 69 - 8 - HE3 LYS 16 - HG2 LYS 115 lone 6 69 - 8 - HE3 LYS 94 - HG2 LYS 65 lone 4 100 - 4 - HE3 LYS 94 - HG2 LYS 115 lone 2 73 - 2 - HE3 LYS 17 - HG2 LYS 115 lone 1 46 - 3 - HE3 LYS 17 - HG2 LYS 65 lone 1 73 - 1 - HE2 LYS 96 - HG2 LYS 65 lone 1 81 - 1 - HE3 LYS 96 - HG2 LYS 65 lone 1 81 - 1 - HE2 LYS 44 - HG2 LYS 65 lone 1 81 - 1 - HE3 LYS 44 - HG2 LYS 65 lone 1 81 - 1 - HB2 ASP 34 - HG2 LYS 65 lone 0 97 - 1 - HB2 ASN 33 - HG2 LYS 65 lone 0 98 - 0 - HB3 ASN 88 - HG2 LYS 65 lone 0 90 - 1 - HB2 ASP 86 - HG2 LYS 65 lone 0 90 - 1 - HE2 LYS 96 - HG2 LYS 115 lone 0 52 - 1 - HE3 LYS 96 - HG2 LYS 115 lone 0 52 - 1 - HB2 ASN 33 - HG2 LYS 115 lone 0 69 - 1 - HB2 ASP 34 - HG2 LYS 115 lone 0 68 - 1 - HB2 ASN 10 - HG2 LYS 65 lone 0 92 - 0 - HE3 LYS 44 - HG2 LYS 115 lone 0 52 - 1 - HE2 LYS 44 - HG2 LYS 115 lone 0 52 - 1 - HD3 ARG 30 - HG2 LYS 65 lone 0 70 - 0 - HB3 ASN 88 - HG2 LYS 115 lone 0 60 - 0 - HB2 ASP 86 - HG2 LYS 115 lone 0 60 - 0 - HB2 ASN 10 - HG2 LYS 115 lone 0 62 - 0 - HD3 ARG 30 - HG2 LYS 115 lone 0 44 - 0 - Peak 4833 from cnoeabs.peaks (8.04, 1.34, 24.91 ppm; 4.71 A): 1 out of 9 assignments used, quality = 0.98: * H LYS 65 + HG3 LYS 65 OK 98 100 - 98 - 5.0=85, 3.0/4798=24...(21) H LEU 90 - HG3 LYS 65 OK 17 94 - 18 - 4.4/10981=8, 4823/1.8=2...(5) H ARG 118 - HG3 LYS 65 lone 7 87 - 8 - 4823/1.8=2, 1427=1, 1908/7626=1 H THR 9 - HG3 LYS 65 lone 7 98 - 7 - 1427=1, 4823/1.8=1 H ASP 109 - HG3 LYS 65 lone 6 100 - 6 - 10354/11457=1 H SER 72 - HG3 LYS 65 lone 5 77 - 7 - 2123/3.9=3, 4823/1.8=1 H GLN 122 - HG3 LYS 65 lone 3 73 - 4 - 398/7626=1 H VAL 22 - HG3 LYS 65 lone 3 100 - 3 - H GLY 26 - HG3 LYS 65 lone 1 65 - 1 - Peak 4834 from cnoeabs.peaks (3.79, 1.34, 24.91 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 3.9=100 Peak 4835 from cnoeabs.peaks (1.93, 1.34, 24.91 ppm; 3.49 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 2.9=100 HB3 LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 2.9=100 Peak 4836 from cnoeabs.peaks (1.93, 1.34, 24.91 ppm; 3.49 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 2.9=100 HB2 LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 2.9=100 Peak 4837 from cnoeabs.peaks (1.55, 1.34, 24.91 ppm; 2.63 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 1.8=100 Peak 4838 from cnoeabs.peaks (1.34, 1.34, 24.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 65 + HG3 LYS 65 OK 100 100 - 100 Peak 4839 from cnoeabs.peaks (1.65, 1.34, 24.91 ppm; 2.91 A): 3 out of 12 assignments used, quality = 1.00: * HD2 LYS 65 + HG3 LYS 65 OK 99 100 - 99 - 3.0=95, 1.8/4858=10...(30) HD3 LYS 65 + HG3 LYS 65 OK 98 100 - 99 - 3.0=95, 1.8/4858=10...(30) HD2 LYS 115 + HG3 LYS 65 OK 45 100 - 45 - 4848=7, 1.8/4848=4...(17) HD3 LYS 115 - HG3 LYS 65 OK 45 99 - 45 - 4848=6, 1.8/4848=5...(17) HG LEU 64 - HG3 LYS 65 poor 9 87 - 10 - 2.1/10805=6, 7619/5.0=1 HG LEU 90 - HG3 LYS 65 lone 6 77 - 7 - 2.1/10981=5 HG LEU 114 - HG3 LYS 65 lone 3 100 - 3 - HD2 LYS 49 - HG3 LYS 65 lone 1 100 - 1 - HD3 LYS 49 - HG3 LYS 65 lone 1 100 - 1 - HB ILE 5 - HG3 LYS 65 lone 0 96 - 1 - HB2 ARG 30 - HG3 LYS 65 lone 0 100 - 0 - HB2 GLU 52 - HG3 LYS 65 lone 0 100 - 0 - Peak 4840 from cnoeabs.peaks (1.65, 1.34, 24.91 ppm; 2.91 A): 2 out of 12 assignments used, quality = 1.00: * HD3 LYS 65 + HG3 LYS 65 OK 99 100 - 99 - 3.0=95, 1.8/4858=10...(30) HD2 LYS 65 + HG3 LYS 65 OK 98 100 - 99 - 3.0=95, 1.8/4858=10...(30) HD2 LYS 115 - HG3 LYS 65 OK 45 99 - 45 - 4848=7, 1.8/4848=4...(17) HD3 LYS 115 - HG3 LYS 65 OK 43 96 - 45 - 4848=6, 1.8/4848=5...(17) HG LEU 64 - HG3 LYS 65 poor 10 94 - 11 - 2.1/10805=6, 7619/5.0=1 HG LEU 90 - HG3 LYS 65 lone 6 87 - 7 - 2.1/10981=5 HG LEU 114 - HG3 LYS 65 lone 3 100 - 3 - HD2 LYS 49 - HG3 LYS 65 lone 1 100 - 1 - HD3 LYS 49 - HG3 LYS 65 lone 1 100 - 1 - HB ILE 5 - HG3 LYS 65 lone 1 99 - 1 - HB2 ARG 30 - HG3 LYS 65 lone 0 100 - 0 - HB2 GLU 52 - HG3 LYS 65 lone 0 99 - 0 - Peak 4841 from cnoeabs.peaks (2.92, 1.34, 24.91 ppm; 4.18 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 3.7=100 * HE2 LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 3.7=100 Peak 4842 from cnoeabs.peaks (2.92, 1.34, 24.91 ppm; 4.18 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 3.7=100 HE2 LYS 65 + HG3 LYS 65 OK 100 100 - 100 - 3.7=100 Peak 4843 from cnoeabs.peaks (8.04, 1.65, 29.50 ppm; 4.33 A): 4 out of 36 assignments used, quality = 1.00: * H LYS 65 + HD2 LYS 65 OK 85 100 - 85 - 6.1=36, 4833/3.0=19...(22) H LYS 65 + HD3 LYS 65 OK 85 99 - 85 - 6.1=36, 4833/3.0=19...(22) H LYS 65 + HD2 LYS 115 OK 57 99 - 58 - 1426/2.9=8, 8261/4.9=6...(23) H LYS 65 + HD3 LYS 115 OK 55 96 - 58 - 1426/2.9=8, 8261/4.9=6...(23) H ARG 118 - HD2 LYS 115 OK 14 85 - 17 - 8261/4.9=9, 4823/2.9=2...(7) H ARG 118 - HD3 LYS 115 OK 14 80 - 17 - 8261/4.9=9, 4823/2.9=2...(7) H LEU 90 - HD2 LYS 65 OK 12 94 - 13 - 4833/3.0=3, 1594/1.8=2...(5) H LEU 90 - HD3 LYS 65 OK 12 92 - 13 - 4833/3.0=3, 1594/1.8=2...(5) H ARG 118 - HD2 LYS 65 lone 6 87 - 7 - 4833/3.0=1, 4823/3.0=1 H ARG 118 - HD3 LYS 65 lone 6 85 - 7 - 4833/3.0=1, 4823/3.0=1 H THR 9 - HD2 LYS 65 lone 4 98 - 4 - 4833/3.0=1 H THR 9 - HD3 LYS 65 lone 4 97 - 5 - 4833/3.0=1 H SER 72 - HD2 LYS 65 lone 4 77 - 6 - 2123/4.8=2, 4833/3.0=1 H SER 72 - HD3 LYS 65 lone 4 75 - 6 - 2123/4.8=2, 4833/3.0=1 H ASP 109 - HD2 LYS 65 lone 4 100 - 4 - 4833/3.0=1 H ASP 109 - HD3 LYS 65 lone 4 99 - 4 - 4833/3.0=1 H THR 9 - HD2 LYS 115 lone 3 96 - 3 - H THR 9 - HD3 LYS 115 lone 3 93 - 3 - H SER 72 - HD2 LYS 115 lone 3 75 - 3 - H ASP 109 - HD2 LYS 115 lone 2 99 - 2 - H SER 72 - HD3 LYS 115 lone 2 70 - 3 - H ASP 109 - HD3 LYS 115 lone 2 96 - 2 - H LEU 90 - HD2 LYS 115 lone 2 92 - 2 - H GLN 122 - HD2 LYS 65 lone 2 73 - 3 - H GLN 122 - HD3 LYS 65 lone 2 71 - 3 - H LEU 90 - HD3 LYS 115 lone 2 88 - 2 - H VAL 22 - HD2 LYS 65 lone 2 100 - 2 - H VAL 22 - HD3 LYS 65 lone 2 99 - 2 - H VAL 22 - HD2 LYS 115 lone 1 99 - 1 - H VAL 22 - HD3 LYS 115 lone 1 96 - 1 - H GLY 26 - HD2 LYS 115 lone 1 63 - 2 - H GLN 122 - HD2 LYS 115 lone 1 71 - 2 - H GLY 26 - HD3 LYS 115 lone 1 59 - 2 - H GLN 122 - HD3 LYS 115 lone 1 67 - 2 - H GLY 26 - HD2 LYS 65 lone 1 65 - 1 - H GLY 26 - HD3 LYS 65 lone 1 64 - 1 - Peak 4844 from cnoeabs.peaks (3.79, 1.65, 29.50 ppm; 3.86 A): 8 out of 20 assignments used, quality = 1.00: * HA LYS 65 + HD2 LYS 65 OK 92 100 - 92 - 4.8=53, 4797/3.0=20...(43) HA LYS 65 + HD3 LYS 65 OK 91 99 - 92 - 4.8=53, 4797/3.0=20...(43) HA LYS 115 + HD2 LYS 115 OK 88 96 - 91 - 4.9=48, 6703/2.9=18...(46) HA LYS 115 + HD3 LYS 115 OK 85 93 - 91 - 4.9=48, 6703/2.9=18...(46) HA LYS 115 + HD2 LYS 65 OK 61 98 - 62 - 6703/3.0=8, 6705=8...(26) HA LYS 115 + HD3 LYS 65 OK 60 97 - 62 - 6703/3.0=8, 6705=7...(26) HA LYS 65 + HD2 LYS 115 OK 58 99 - 59 - 4797/2.9=8, 4799=8...(19) HA LYS 65 + HD3 LYS 115 OK 56 96 - 59 - 4797/2.9=8, 4799=8...(19) HA ALA 113 - HD2 LYS 115 lone 9 96 - 9 - 3.6/1746=3, 8251/7892=2 HA ALA 113 - HD3 LYS 115 lone 9 93 - 9 - 3.6/1746=3, 8251/7892=2 HA ALA 113 - HD3 LYS 65 lone 4 97 - 5 - 3.6/1746=1 HA ALA 113 - HD2 LYS 65 lone 4 98 - 4 - 3.6/1746=1 HA LEU 68 - HD3 LYS 65 lone 4 75 - 5 - 8148/6.1=2 HA LEU 68 - HD2 LYS 65 lone 4 77 - 5 - 8148/6.1=2 HA LEU 68 - HD2 LYS 115 lone 2 75 - 2 - HA LEU 68 - HD3 LYS 115 lone 1 70 - 2 - HB2 SER 58 - HD3 LYS 65 lone 1 79 - 1 - HB2 SER 58 - HD2 LYS 65 lone 1 81 - 1 - HB2 SER 58 - HD2 LYS 115 lone 1 78 - 1 - HB2 SER 58 - HD3 LYS 115 lone 1 74 - 1 - Peak 4845 from cnoeabs.peaks (1.93, 1.65, 29.50 ppm; 2.80 A): 12 out of 80 assignments used, quality = 1.00: * HB2 LYS 65 + HD2 LYS 65 OK 87 100 - 87 - 3.4=56, 2.9/4839=7...(47) HB3 LYS 65 + HD2 LYS 65 OK 87 100 - 87 - 3.4=56, 2.9/4839=7...(47) HB2 LYS 65 + HD3 LYS 65 OK 86 99 - 87 - 3.4=56, 2.9/4839=7...(47) HB3 LYS 65 + HD3 LYS 65 OK 86 99 - 87 - 3.4=56, 2.9/4839=7...(47) HB3 LYS 115 + HD2 LYS 115 OK 77 99 - 77 - 3.7=43, 3.0/6735=5...(43) HB3 LYS 115 + HD3 LYS 115 OK 75 96 - 77 - 3.7=43, 3.0/6735=5...(43) HB2 LYS 115 + HD2 LYS 115 OK 75 96 - 77 - 3.7=43, 3.0/6735=5...(43) HB2 LYS 115 + HD3 LYS 115 OK 72 93 - 77 - 3.7=43, 3.0/6735=5...(43) HB2 LYS 65 + HD2 LYS 115 OK 46 99 - 47 - 2.9/4839=3, 3.0/4799=2...(16) HB3 LYS 65 + HD2 LYS 115 OK 46 99 - 47 - 2.9/4839=3, 3.0/4799=2...(16) HB2 LYS 65 + HD3 LYS 115 OK 45 96 - 47 - 2.9/4839=3, 3.0/4799=2...(16) HB3 LYS 65 + HD3 LYS 115 OK 45 96 - 47 - 2.9/4839=3, 3.0/4799=2...(16) HB3 LYS 115 - HD2 LYS 65 OK 36 100 - 36 - 3.0/6705=3, 6725=2...(11) HB3 LYS 115 - HD3 LYS 65 OK 36 99 - 36 - 3.0/6705=3, 6725=2...(11) HB2 LYS 115 - HD2 LYS 65 OK 35 98 - 36 - 3.0/6705=3, 6716=2...(11) HB2 LYS 115 - HD3 LYS 65 OK 35 97 - 36 - 3.0/6705=3, 4.0/722=2...(11) HB VAL 104 - HD2 LYS 115 OK 11 85 - 13 - 10225/2.9=3, ~10227=2...(6) HB VAL 104 - HD3 LYS 115 OK 10 80 - 13 - 10225/2.9=3, ~10227=2...(6) HB2 LEU 81 - HD2 LYS 65 lone 6 77 - 8 - ~10805=2 HB2 LEU 81 - HD3 LYS 65 lone 6 75 - 8 - ~10805=2 HB2 LYS 123 - HD2 LYS 65 lone 4 100 - 4 - HB2 LYS 123 - HD3 LYS 65 lone 4 99 - 4 - HB2 LYS 123 - HD2 LYS 115 lone 3 99 - 3 - HB2 LYS 123 - HD3 LYS 115 lone 3 96 - 3 - HB VAL 104 - HD2 LYS 65 lone 3 87 - 3 - ~10981=1 HB VAL 104 - HD3 LYS 65 lone 3 85 - 3 - ~10981=1 HB3 LYS 17 - HD2 LYS 115 lone 2 85 - 2 - HB3 LYS 17 - HD3 LYS 115 lone 2 80 - 2 - HB2 LEU 81 - HD2 LYS 115 lone 2 75 - 2 - HB2 LEU 70 - HD2 LYS 65 lone 2 96 - 2 - HB2 LEU 70 - HD3 LYS 65 lone 1 94 - 2 - HB2 LEU 81 - HD3 LYS 115 lone 1 70 - 2 - HB3 LYS 40 - HD2 LYS 115 lone 1 87 - 1 - HB3 LYS 40 - HD3 LYS 115 lone 1 83 - 1 - HB3 LYS 40 - HD2 LYS 65 lone 1 90 - 1 - HB3 LYS 40 - HD3 LYS 65 lone 1 88 - 1 - HB2 LEU 70 - HD2 LYS 115 lone 1 94 - 1 - HB2 LEU 70 - HD3 LYS 115 lone 1 90 - 1 - HB2 LEU 127 - HD2 LYS 65 lone 1 100 - 1 - HB2 LYS 39 - HD2 LYS 115 lone 1 99 - 1 - HB2 LEU 127 - HD3 LYS 65 lone 1 99 - 1 - HB2 LYS 39 - HD2 LYS 65 lone 1 100 - 1 - HB2 LYS 39 - HD3 LYS 65 lone 1 99 - 1 - HB2 LYS 39 - HD3 LYS 115 lone 1 96 - 1 - HB3 LYS 39 - HD2 LYS 115 lone 1 78 - 1 - HB3 LYS 39 - HD2 LYS 65 lone 1 81 - 1 - HB3 LYS 17 - HD2 LYS 65 lone 1 87 - 1 - HB3 LYS 17 - HD3 LYS 65 lone 1 85 - 1 - HB3 LYS 39 - HD3 LYS 65 lone 1 79 - 1 - HB3 LYS 39 - HD3 LYS 115 lone 1 74 - 1 - HB3 GLU 41 - HD2 LYS 65 lone 0 77 - 0 - HB3 GLU 41 - HD3 LYS 65 lone 0 75 - 0 - HB2 GLU 41 - HD2 LYS 65 lone 0 73 - 0 - HB3 GLU 41 - HD2 LYS 115 lone 0 75 - 0 - HB2 GLU 41 - HD3 LYS 65 lone 0 71 - 0 - HB2 LEU 127 - HD2 LYS 115 lone 0 99 - 0 - HB2 GLU 41 - HD2 LYS 115 lone 0 71 - 0 - HB2 LEU 127 - HD3 LYS 115 lone 0 96 - 0 - HB VAL 29 - HD2 LYS 115 lone 0 59 - 1 - HB ILE 15 - HD2 LYS 115 lone 0 59 - 1 - HB3 GLU 41 - HD3 LYS 115 lone 0 70 - 0 - HB2 GLU 41 - HD3 LYS 115 lone 0 67 - 0 - HB VAL 29 - HD3 LYS 115 lone 0 55 - 1 - HB ILE 15 - HD3 LYS 115 lone 0 55 - 1 - HB VAL 29 - HD2 LYS 65 lone 0 61 - 0 - HB VAL 29 - HD3 LYS 65 lone 0 60 - 0 - HB3 GLU 52 - HD2 LYS 65 lone 0 65 - 0 - HB3 GLU 52 - HD3 LYS 65 lone 0 64 - 0 - HG2 MET 121 - HD2 LYS 115 lone 0 67 - 0 - HG2 MET 121 - HD2 LYS 65 lone 0 70 - 0 - HB3 GLU 52 - HD2 LYS 115 lone 0 63 - 0 - HG2 MET 121 - HD3 LYS 115 lone 0 63 - 0 - HB3 MET 42 - HD2 LYS 115 lone 0 71 - 0 - HG2 MET 121 - HD3 LYS 65 lone 0 68 - 0 - HB3 MET 42 - HD2 LYS 65 lone 0 73 - 0 - HB ILE 15 - HD2 LYS 65 lone 0 61 - 0 - HB3 MET 42 - HD3 LYS 65 lone 0 71 - 0 - HB3 GLU 52 - HD3 LYS 115 lone 0 59 - 0 - HB ILE 15 - HD3 LYS 65 lone 0 60 - 0 - HB3 MET 42 - HD3 LYS 115 lone 0 67 - 0 - Peak 4846 from cnoeabs.peaks (1.93, 1.65, 29.50 ppm; 2.80 A): 12 out of 80 assignments used, quality = 1.00: HB2 LYS 65 + HD2 LYS 65 OK 87 100 - 87 - 3.4=56, 2.9/4839=7...(47) * HB3 LYS 65 + HD2 LYS 65 OK 87 100 - 87 - 3.4=56, 2.9/4839=7...(47) HB3 LYS 65 + HD3 LYS 65 OK 86 99 - 87 - 3.4=56, 2.9/4839=7...(47) HB2 LYS 65 + HD3 LYS 65 OK 86 99 - 87 - 3.4=56, 2.9/4839=7...(47) HB3 LYS 115 + HD2 LYS 115 OK 77 99 - 77 - 3.7=43, 3.0/6735=5...(43) HB2 LYS 115 + HD2 LYS 115 OK 75 97 - 77 - 3.7=43, 3.0/6735=5...(43) HB3 LYS 115 + HD3 LYS 115 OK 75 96 - 77 - 3.7=43, 3.0/6735=5...(43) HB2 LYS 115 + HD3 LYS 115 OK 73 94 - 78 - 3.7=43, 3.0/6735=5...(43) HB3 LYS 65 + HD2 LYS 115 OK 46 99 - 47 - 2.9/4839=3, 3.0/4799=2...(16) HB2 LYS 65 + HD2 LYS 115 OK 46 99 - 47 - 2.9/4839=3, 3.0/4799=2...(16) HB3 LYS 65 + HD3 LYS 115 OK 45 96 - 47 - 2.9/4839=3, 3.0/4799=2...(16) HB2 LYS 65 + HD3 LYS 115 OK 45 96 - 47 - 2.9/4839=3, 3.0/4799=2...(16) HB3 LYS 115 - HD2 LYS 65 OK 36 100 - 36 - 3.0/6705=3, 6725=2...(11) HB3 LYS 115 - HD3 LYS 65 OK 36 99 - 36 - 3.0/6705=3, 6725=2...(11) HB2 LYS 115 - HD2 LYS 65 OK 35 99 - 36 - 3.0/6705=3, 6716=2...(11) HB2 LYS 115 - HD3 LYS 65 OK 35 98 - 36 - 3.0/6705=3, 6715=2...(11) HB VAL 104 - HD2 LYS 115 OK 10 82 - 13 - 10225/2.9=3, ~10227=2...(6) HB VAL 104 - HD3 LYS 115 poor 10 77 - 12 - 10225/2.9=3, ~10227=2...(6) HB2 LEU 81 - HD2 LYS 65 lone 7 81 - 8 - ~10805=2 HB2 LEU 81 - HD3 LYS 65 lone 6 79 - 8 - ~10805=2 HB2 LYS 123 - HD2 LYS 65 lone 4 100 - 4 - HB2 LYS 123 - HD3 LYS 65 lone 4 99 - 4 - HB2 LYS 123 - HD2 LYS 115 lone 3 99 - 3 - HB2 LYS 123 - HD3 LYS 115 lone 3 96 - 3 - HB VAL 104 - HD2 LYS 65 lone 3 84 - 3 - ~10981=1 HB VAL 104 - HD3 LYS 65 lone 2 82 - 3 - ~10981=1 HB3 LYS 123 - HD2 LYS 65 lone 2 61 - 3 - HB3 LYS 123 - HD3 LYS 65 lone 2 60 - 3 - HB3 LYS 123 - HD2 LYS 115 lone 2 59 - 3 - HB3 LYS 17 - HD2 LYS 115 lone 2 87 - 2 - HB3 LYS 123 - HD3 LYS 115 lone 2 55 - 3 - HB3 LYS 17 - HD3 LYS 115 lone 2 83 - 2 - HB2 LEU 81 - HD2 LYS 115 lone 2 78 - 2 - HB2 LEU 81 - HD3 LYS 115 lone 2 74 - 2 - HB2 LEU 70 - HD2 LYS 65 lone 1 94 - 2 - HB2 LEU 70 - HD3 LYS 65 lone 1 92 - 2 - HB3 LYS 40 - HD2 LYS 115 lone 1 85 - 1 - HB3 LYS 40 - HD3 LYS 115 lone 1 80 - 1 - HB3 LYS 40 - HD2 LYS 65 lone 1 87 - 1 - HB3 LYS 40 - HD3 LYS 65 lone 1 85 - 1 - HB2 LEU 70 - HD2 LYS 115 lone 1 92 - 1 - HB2 LEU 70 - HD3 LYS 115 lone 1 88 - 1 - HB2 LEU 127 - HD2 LYS 65 lone 1 100 - 1 - HB2 LYS 39 - HD2 LYS 115 lone 1 99 - 1 - HB2 LEU 127 - HD3 LYS 65 lone 1 99 - 1 - HB2 LYS 39 - HD2 LYS 65 lone 1 100 - 1 - HB2 LYS 39 - HD3 LYS 65 lone 1 99 - 1 - HB2 LYS 39 - HD3 LYS 115 lone 1 96 - 1 - HB3 LYS 17 - HD2 LYS 65 lone 1 90 - 1 - HB3 LYS 17 - HD3 LYS 65 lone 1 88 - 1 - HB3 LYS 39 - HD2 LYS 115 lone 1 75 - 1 - HB3 LYS 39 - HD2 LYS 65 lone 1 77 - 1 - HB3 LYS 39 - HD3 LYS 65 lone 1 75 - 1 - HB3 LYS 39 - HD3 LYS 115 lone 1 70 - 1 - HB3 GLU 41 - HD2 LYS 65 lone 0 73 - 0 - HB ILE 15 - HD2 LYS 115 lone 0 63 - 1 - HB3 GLU 41 - HD3 LYS 65 lone 0 71 - 0 - HB2 GLU 41 - HD2 LYS 65 lone 0 70 - 0 - HB2 LEU 127 - HD2 LYS 115 lone 0 99 - 0 - HB3 GLU 41 - HD2 LYS 115 lone 0 71 - 0 - HB2 LEU 127 - HD3 LYS 115 lone 0 96 - 0 - HB2 GLU 41 - HD3 LYS 65 lone 0 68 - 0 - HB ILE 15 - HD3 LYS 115 lone 0 59 - 1 - HB2 GLU 41 - HD2 LYS 115 lone 0 67 - 0 - HB3 GLU 41 - HD3 LYS 115 lone 0 67 - 0 - HB2 GLU 41 - HD3 LYS 115 lone 0 63 - 0 - HG2 MET 121 - HD2 LYS 115 lone 0 71 - 0 - HG2 MET 121 - HD2 LYS 65 lone 0 73 - 0 - HB3 GLU 52 - HD2 LYS 65 lone 0 61 - 0 - HG2 MET 121 - HD3 LYS 115 lone 0 67 - 0 - HG2 MET 121 - HD3 LYS 65 lone 0 71 - 0 - HB3 GLU 52 - HD3 LYS 65 lone 0 60 - 0 - HB ILE 15 - HD2 LYS 65 lone 0 65 - 0 - HB ILE 15 - HD3 LYS 65 lone 0 64 - 0 - HB3 GLU 52 - HD2 LYS 115 lone 0 59 - 0 - HB3 MET 42 - HD2 LYS 115 lone 0 67 - 0 - HB3 MET 42 - HD2 LYS 65 lone 0 70 - 0 - HB3 MET 42 - HD3 LYS 65 lone 0 68 - 0 - HB3 GLU 52 - HD3 LYS 115 lone 0 55 - 0 - HB3 MET 42 - HD3 LYS 115 lone 0 63 - 0 - Peak 4847 from cnoeabs.peaks (1.55, 1.65, 29.50 ppm; 2.40 A): 4 out of 40 assignments used, quality = 0.99: * HG2 LYS 65 + HD2 LYS 65 OK 77 100 - 77 - 3.0=53, 1.8/4839=7...(15) HG2 LYS 65 + HD3 LYS 65 OK 76 99 - 77 - 3.0=53, 1.8/4839=7...(15) HG2 LYS 115 + HD2 LYS 115 OK 61 85 - 72 - 2.9=56, 6736/1.8=5...(10) HG2 LYS 115 + HD3 LYS 115 OK 57 80 - 72 - 2.9=56, 6736/1.8=5...(10) HG2 LYS 65 - HD2 LYS 115 OK 31 99 - 31 - 4829=4, 1.8/4839=3...(11) HG2 LYS 65 - HD3 LYS 115 OK 30 96 - 31 - 4829=4, 1.8/4839=3...(11) HG2 LYS 115 - HD2 LYS 65 OK 19 87 - 22 - 6735=2, 6735/1.8=1...(4) HG2 LYS 115 - HD3 LYS 65 OK 19 85 - 22 - 6735=2, 6736/1.8=1...(4) HD2 LYS 94 - HD2 LYS 65 lone 2 87 - 2 - HD3 LYS 94 - HD2 LYS 65 lone 2 87 - 2 - HD3 LYS 94 - HD3 LYS 65 lone 2 85 - 2 - HD2 LYS 94 - HD3 LYS 65 lone 2 85 - 2 - QB ALA 46 - HD2 LYS 65 lone 1 100 - 1 - QB ALA 46 - HD3 LYS 65 lone 1 99 - 1 - HG12 ILE 3 - HD2 LYS 115 lone 1 85 - 1 - HD3 LYS 94 - HD2 LYS 115 lone 1 85 - 1 - HD2 LYS 94 - HD2 LYS 115 lone 1 85 - 1 - HG12 ILE 3 - HD3 LYS 115 lone 1 80 - 1 - HD3 LYS 94 - HD3 LYS 115 lone 1 80 - 1 - HD2 LYS 94 - HD3 LYS 115 lone 1 80 - 1 - HG12 ILE 3 - HD2 LYS 65 lone 0 87 - 0 - HG12 ILE 3 - HD3 LYS 65 lone 0 85 - 0 - HG LEU 55 - HD2 LYS 115 lone 0 67 - 1 - HG LEU 55 - HD3 LYS 115 lone 0 63 - 1 - HB VAL 78 - HD3 LYS 65 lone 0 94 - 0 - QB ALA 46 - HD2 LYS 115 lone 0 99 - 0 - QB ALA 46 - HD3 LYS 115 lone 0 96 - 0 - HD2 LYS 106 - HD2 LYS 115 lone 0 85 - 0 - HB VAL 78 - HD2 LYS 65 lone 0 96 - 0 - HD3 LYS 106 - HD2 LYS 115 lone 0 82 - 0 - HD2 LYS 106 - HD3 LYS 115 lone 0 80 - 0 - HB VAL 78 - HD2 LYS 115 lone 0 94 - 0 - HD2 LYS 106 - HD2 LYS 65 lone 0 87 - 0 - HD3 LYS 106 - HD3 LYS 115 lone 0 77 - 0 - HD2 LYS 106 - HD3 LYS 65 lone 0 85 - 0 - HB VAL 78 - HD3 LYS 115 lone 0 90 - 0 - HD3 LYS 106 - HD2 LYS 65 lone 0 84 - 0 - HD3 LYS 106 - HD3 LYS 65 lone 0 82 - 0 - HG LEU 55 - HD2 LYS 65 lone 0 70 - 0 - HG LEU 55 - HD3 LYS 65 lone 0 68 - 0 - Peak 4848 from cnoeabs.peaks (1.34, 1.65, 29.50 ppm; 2.86 A): 2 out of 16 assignments used, quality = 1.00: * HG3 LYS 65 + HD2 LYS 65 OK 97 100 - 97 - 3.0=90, 4840/1.8=10...(29) HG3 LYS 65 + HD3 LYS 65 OK 96 99 - 97 - 3.0=90, 4839/1.8=10...(29) HG3 LYS 65 - HD2 LYS 115 OK 44 99 - 44 - 4839=7, 4839/1.8=5...(17) HG3 LYS 65 - HD3 LYS 115 OK 43 96 - 45 - 4839=7, 4839/1.8=5...(17) HG LEU 81 - HD2 LYS 65 OK 12 100 - 12 - ~10805=3, 4798/4.8=2...(4) HG LEU 81 - HD3 LYS 65 OK 12 99 - 12 - ~10805=3, 4798/4.8=2 HB3 LEU 81 - HD2 LYS 65 lone 8 87 - 10 - ~10805=2, 4798/4.8=1 HB3 LEU 81 - HD3 LYS 65 lone 8 85 - 10 - ~10805=2, 4798/4.8=1 HG LEU 81 - HD2 LYS 115 lone 2 99 - 2 - HG LEU 81 - HD3 LYS 115 lone 2 96 - 2 - HB3 LEU 81 - HD2 LYS 115 lone 1 85 - 2 - HB3 LEU 81 - HD3 LYS 115 lone 1 80 - 2 - HG2 LYS 77 - HD2 LYS 65 lone 1 90 - 1 - HG2 LYS 77 - HD3 LYS 65 lone 1 88 - 1 - HG2 LYS 77 - HD2 LYS 115 lone 0 87 - 0 - HG2 LYS 77 - HD3 LYS 115 lone 0 83 - 0 - Peak 4849 from cnoeabs.peaks (1.65, 1.65, 29.50 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD2 LYS 65 + HD2 LYS 65 OK 100 100 - 100 HD2 LYS 115 + HD2 LYS 115 OK 99 99 - 100 HD3 LYS 65 + HD3 LYS 65 OK 99 99 - 100 HD3 LYS 115 + HD3 LYS 115 OK 94 94 - 100 Peak 4850 from cnoeabs.peaks (1.65, 1.65, 29.50 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD2 LYS 65 + HD2 LYS 65 OK 100 100 - 100 HD3 LYS 65 + HD3 LYS 65 OK 99 99 - 100 HD2 LYS 115 + HD2 LYS 115 OK 97 97 - 100 HD3 LYS 115 + HD3 LYS 115 OK 90 90 - 100 Reference assignment not found: HD3 LYS 65 - HD2 LYS 65 Peak 4851 from cnoeabs.peaks (2.92, 1.65, 29.50 ppm; 2.69 A): 8 out of 72 assignments used, quality = 1.00: HE3 LYS 65 + HD2 LYS 65 OK 87 100 - 87 - 3.0=74, 3.7/4839=5...(28) * HE2 LYS 65 + HD2 LYS 65 OK 87 100 - 87 - 3.0=74, 3.7/4839=5...(28) HE3 LYS 65 + HD3 LYS 65 OK 86 99 - 87 - 3.0=74, 3.7/4839=5...(28) HE2 LYS 65 + HD3 LYS 65 OK 86 99 - 87 - 3.0=74, 3.7/4839=5...(28) HE2 LYS 115 + HD2 LYS 115 OK 81 95 - 85 - 3.0=75, 6774/2.9=5...(23) HE3 LYS 115 + HD2 LYS 115 OK 81 95 - 85 - 3.0=75, 6774/2.9=5...(23) HE2 LYS 115 + HD3 LYS 115 OK 78 91 - 85 - 3.0=75, 6774/2.9=5...(23) HE3 LYS 115 + HD3 LYS 115 OK 78 91 - 85 - 3.0=75, 6774/2.9=5...(23) HE2 LYS 115 - HD2 LYS 65 OK 28 97 - 29 - 4868/3.0=2, 6785=1...(7) HE3 LYS 115 - HD2 LYS 65 OK 28 97 - 29 - 4868/3.0=2, 6775=1...(7) HE3 LYS 115 - HD3 LYS 65 OK 28 96 - 29 - 4868/3.0=2, 4870=1...(7) HE2 LYS 115 - HD3 LYS 65 OK 28 96 - 29 - 4868/3.0=2, 4880=1...(7) HE2 LYS 65 - HD2 LYS 115 OK 20 99 - 21 - 3.7/4839=2, 6774/2.9=2...(5) HE3 LYS 65 - HD2 LYS 115 OK 20 99 - 21 - 3.7/4839=2, 6774/2.9=2...(5) HE3 LYS 65 - HD3 LYS 115 OK 20 96 - 21 - 3.7/4839=2, 6784/2.9=2...(5) HE2 LYS 65 - HD3 LYS 115 OK 20 96 - 21 - 3.7/4839=2, 6784/2.9=2...(5) HE3 LYS 16 - HD2 LYS 115 lone 4 96 - 4 - HE2 LYS 16 - HD2 LYS 115 lone 4 96 - 4 - HE2 LYS 16 - HD3 LYS 115 lone 3 93 - 4 - HE3 LYS 16 - HD3 LYS 115 lone 3 93 - 4 - HE3 LYS 16 - HD2 LYS 65 lone 3 98 - 3 - HE2 LYS 16 - HD2 LYS 65 lone 3 98 - 3 - HE3 LYS 16 - HD3 LYS 65 lone 3 97 - 3 - HE2 LYS 16 - HD3 LYS 65 lone 3 97 - 3 - HE3 LYS 94 - HD3 LYS 65 lone 3 99 - 3 - HE3 LYS 94 - HD2 LYS 65 lone 3 100 - 3 - HE3 LYS 94 - HD2 LYS 115 lone 1 99 - 1 - HE3 LYS 94 - HD3 LYS 115 lone 1 96 - 1 - HE2 LYS 96 - HD2 LYS 65 lone 1 81 - 1 - HE3 LYS 96 - HD2 LYS 65 lone 1 81 - 1 - HE3 LYS 96 - HD3 LYS 65 lone 1 79 - 1 - HE2 LYS 96 - HD3 LYS 65 lone 1 79 - 1 - HE3 LYS 17 - HD2 LYS 115 lone 1 71 - 1 - HE3 LYS 17 - HD3 LYS 115 lone 1 67 - 1 - HE2 LYS 44 - HD2 LYS 65 lone 0 81 - 1 - HE3 LYS 44 - HD2 LYS 65 lone 0 81 - 1 - HE3 LYS 44 - HD3 LYS 65 lone 0 79 - 1 - HE2 LYS 44 - HD3 LYS 65 lone 0 79 - 1 - HE3 LYS 17 - HD2 LYS 65 lone 0 73 - 1 - HE3 LYS 17 - HD3 LYS 65 lone 0 71 - 1 - HE2 LYS 96 - HD2 LYS 115 lone 0 78 - 0 - HE3 LYS 96 - HD2 LYS 115 lone 0 78 - 0 - HB2 ASN 33 - HD2 LYS 115 lone 0 96 - 0 - HE2 LYS 96 - HD3 LYS 115 lone 0 74 - 0 - HE3 LYS 96 - HD3 LYS 115 lone 0 74 - 0 - HB2 ASP 34 - HD2 LYS 115 lone 0 95 - 0 - HB2 ASP 34 - HD2 LYS 65 lone 0 97 - 0 - HB2 ASN 33 - HD3 LYS 115 lone 0 93 - 0 - HB2 ASP 34 - HD3 LYS 65 lone 0 96 - 0 - HB2 ASP 34 - HD3 LYS 115 lone 0 91 - 0 - HB2 ASN 33 - HD2 LYS 65 lone 0 98 - 0 - HB2 ASN 33 - HD3 LYS 65 lone 0 97 - 0 - HB3 ASN 88 - HD2 LYS 65 lone 0 90 - 0 - HE2 LYS 44 - HD2 LYS 115 lone 0 78 - 0 - HE3 LYS 44 - HD2 LYS 115 lone 0 78 - 0 - HB2 ASP 86 - HD2 LYS 65 lone 0 90 - 0 - HB3 ASN 88 - HD3 LYS 65 lone 0 88 - 0 - HB2 ASP 86 - HD3 LYS 65 lone 0 88 - 0 - HB3 ASN 88 - HD2 LYS 115 lone 0 87 - 0 - HE3 LYS 44 - HD3 LYS 115 lone 0 74 - 0 - HE2 LYS 44 - HD3 LYS 115 lone 0 74 - 0 - HB3 ASN 88 - HD3 LYS 115 lone 0 83 - 0 - HB2 ASP 86 - HD2 LYS 115 lone 0 87 - 0 - HB2 ASN 10 - HD2 LYS 115 lone 0 90 - 0 - HB2 ASN 10 - HD2 LYS 65 lone 0 92 - 0 - HB2 ASP 86 - HD3 LYS 115 lone 0 83 - 0 - HB2 ASN 10 - HD3 LYS 65 lone 0 90 - 0 - HB2 ASN 10 - HD3 LYS 115 lone 0 85 - 0 - HD3 ARG 30 - HD2 LYS 65 lone 0 70 - 0 - HD3 ARG 30 - HD3 LYS 65 lone 0 68 - 0 - HD3 ARG 30 - HD2 LYS 115 lone 0 67 - 0 - HD3 ARG 30 - HD3 LYS 115 lone 0 63 - 0 - Peak 4852 from cnoeabs.peaks (2.92, 1.65, 29.50 ppm; 2.69 A): 8 out of 72 assignments used, quality = 1.00: * HE3 LYS 65 + HD2 LYS 65 OK 87 100 - 87 - 3.0=74, 3.7/4839=5...(28) HE2 LYS 65 + HD2 LYS 65 OK 87 100 - 87 - 3.0=74, 3.7/4839=5...(28) HE3 LYS 65 + HD3 LYS 65 OK 86 99 - 87 - 3.0=74, 3.7/4839=5...(28) HE2 LYS 65 + HD3 LYS 65 OK 86 99 - 87 - 3.0=74, 3.7/4839=5...(28) HE2 LYS 115 + HD2 LYS 115 OK 81 95 - 85 - 3.0=75, 6774/2.9=5...(23) HE3 LYS 115 + HD2 LYS 115 OK 81 95 - 85 - 3.0=75, 6774/2.9=5...(23) HE2 LYS 115 + HD3 LYS 115 OK 78 91 - 85 - 3.0=75, 6774/2.9=5...(23) HE3 LYS 115 + HD3 LYS 115 OK 78 91 - 85 - 3.0=75, 6774/2.9=5...(23) HE2 LYS 115 - HD2 LYS 65 OK 28 97 - 29 - 4868/3.0=2, 6785=1...(7) HE3 LYS 115 - HD2 LYS 65 OK 28 97 - 29 - 4868/3.0=2, 6775=1...(7) HE3 LYS 115 - HD3 LYS 65 OK 28 96 - 29 - 4868/3.0=2, 4870=1...(7) HE2 LYS 115 - HD3 LYS 65 OK 28 96 - 29 - 4868/3.0=2, 4880=1...(7) HE2 LYS 65 - HD2 LYS 115 OK 20 99 - 21 - 3.7/4839=2, 6774/2.9=2...(5) HE3 LYS 65 - HD2 LYS 115 OK 20 99 - 21 - 3.7/4839=2, 6774/2.9=2...(5) HE3 LYS 65 - HD3 LYS 115 OK 20 96 - 21 - 3.7/4839=2, 6784/2.9=2...(5) HE2 LYS 65 - HD3 LYS 115 OK 20 96 - 21 - 3.7/4839=2, 6784/2.9=2...(5) HE3 LYS 16 - HD2 LYS 115 lone 4 96 - 4 - HE2 LYS 16 - HD2 LYS 115 lone 4 96 - 4 - HE2 LYS 16 - HD3 LYS 115 lone 3 93 - 4 - HE3 LYS 16 - HD3 LYS 115 lone 3 93 - 4 - HE3 LYS 16 - HD2 LYS 65 lone 3 98 - 3 - HE2 LYS 16 - HD2 LYS 65 lone 3 98 - 3 - HE3 LYS 16 - HD3 LYS 65 lone 3 97 - 3 - HE2 LYS 16 - HD3 LYS 65 lone 3 97 - 3 - HE3 LYS 94 - HD3 LYS 65 lone 3 99 - 3 - HE3 LYS 94 - HD2 LYS 65 lone 3 100 - 3 - HE3 LYS 94 - HD2 LYS 115 lone 1 99 - 1 - HE3 LYS 94 - HD3 LYS 115 lone 1 96 - 1 - HE2 LYS 96 - HD2 LYS 65 lone 1 81 - 1 - HE3 LYS 96 - HD2 LYS 65 lone 1 81 - 1 - HE3 LYS 96 - HD3 LYS 65 lone 1 79 - 1 - HE2 LYS 96 - HD3 LYS 65 lone 1 79 - 1 - HE3 LYS 17 - HD2 LYS 115 lone 1 71 - 1 - HE3 LYS 17 - HD3 LYS 115 lone 1 67 - 1 - HE2 LYS 44 - HD2 LYS 65 lone 0 81 - 1 - HE3 LYS 44 - HD2 LYS 65 lone 0 81 - 1 - HE3 LYS 44 - HD3 LYS 65 lone 0 79 - 1 - HE2 LYS 44 - HD3 LYS 65 lone 0 79 - 1 - HE3 LYS 17 - HD2 LYS 65 lone 0 73 - 1 - HE3 LYS 17 - HD3 LYS 65 lone 0 71 - 1 - HE2 LYS 96 - HD2 LYS 115 lone 0 78 - 0 - HE3 LYS 96 - HD2 LYS 115 lone 0 78 - 0 - HB2 ASN 33 - HD2 LYS 115 lone 0 96 - 0 - HE2 LYS 96 - HD3 LYS 115 lone 0 74 - 0 - HE3 LYS 96 - HD3 LYS 115 lone 0 74 - 0 - HB2 ASP 34 - HD2 LYS 115 lone 0 95 - 0 - HB2 ASP 34 - HD2 LYS 65 lone 0 97 - 0 - HB2 ASN 33 - HD3 LYS 115 lone 0 93 - 0 - HB2 ASP 34 - HD3 LYS 65 lone 0 96 - 0 - HB2 ASP 34 - HD3 LYS 115 lone 0 91 - 0 - HB2 ASN 33 - HD2 LYS 65 lone 0 98 - 0 - HB2 ASN 33 - HD3 LYS 65 lone 0 97 - 0 - HB3 ASN 88 - HD2 LYS 65 lone 0 90 - 0 - HE2 LYS 44 - HD2 LYS 115 lone 0 78 - 0 - HE3 LYS 44 - HD2 LYS 115 lone 0 78 - 0 - HB2 ASP 86 - HD2 LYS 65 lone 0 90 - 0 - HB3 ASN 88 - HD3 LYS 65 lone 0 88 - 0 - HB2 ASP 86 - HD3 LYS 65 lone 0 88 - 0 - HB3 ASN 88 - HD2 LYS 115 lone 0 87 - 0 - HE3 LYS 44 - HD3 LYS 115 lone 0 74 - 0 - HE2 LYS 44 - HD3 LYS 115 lone 0 74 - 0 - HB3 ASN 88 - HD3 LYS 115 lone 0 83 - 0 - HB2 ASP 86 - HD2 LYS 115 lone 0 87 - 0 - HB2 ASN 10 - HD2 LYS 115 lone 0 90 - 0 - HB2 ASN 10 - HD2 LYS 65 lone 0 92 - 0 - HB2 ASP 86 - HD3 LYS 115 lone 0 83 - 0 - HB2 ASN 10 - HD3 LYS 65 lone 0 90 - 0 - HB2 ASN 10 - HD3 LYS 115 lone 0 85 - 0 - HD3 ARG 30 - HD2 LYS 65 lone 0 70 - 0 - HD3 ARG 30 - HD3 LYS 65 lone 0 68 - 0 - HD3 ARG 30 - HD2 LYS 115 lone 0 67 - 0 - HD3 ARG 30 - HD3 LYS 115 lone 0 63 - 0 - Peak 4854 from cnoeabs.peaks (3.79, 1.65, 29.50 ppm; 3.86 A): 8 out of 20 assignments used, quality = 1.00: * HA LYS 65 + HD3 LYS 65 OK 92 100 - 92 - 4.8=53, 4797/3.0=20...(43) HA LYS 65 + HD2 LYS 65 OK 91 99 - 92 - 4.8=53, 4797/3.0=20...(43) HA LYS 115 + HD2 LYS 115 OK 85 93 - 91 - 4.9=48, 6703/2.9=18...(46) HA LYS 115 + HD3 LYS 115 OK 77 85 - 91 - 4.9=48, 6703/2.9=18...(46) HA LYS 115 + HD3 LYS 65 OK 61 98 - 62 - 6703/3.0=8, 6705=7...(26) HA LYS 115 + HD2 LYS 65 OK 60 97 - 62 - 6703/3.0=8, 6705=7...(26) HA LYS 65 + HD2 LYS 115 OK 56 96 - 59 - 4797/2.9=8, 4799=8...(19) HA LYS 65 + HD3 LYS 115 OK 52 89 - 59 - 4797/2.9=8, 4799=8...(19) HA ALA 113 - HD2 LYS 115 lone 9 93 - 9 - 3.6/1746=3, 8251/7892=2 HA ALA 113 - HD3 LYS 115 lone 8 85 - 9 - 3.6/1746=3, 8251/7892=2 HA ALA 113 - HD3 LYS 65 lone 5 98 - 5 - 3.6/1746=1 HA ALA 113 - HD2 LYS 65 lone 4 97 - 4 - 3.6/1746=1 HA LEU 68 - HD3 LYS 65 lone 4 77 - 5 - 8148/6.1=2 HA LEU 68 - HD2 LYS 65 lone 4 75 - 5 - 8148/6.1=2 HA LEU 68 - HD2 LYS 115 lone 1 70 - 2 - HA LEU 68 - HD3 LYS 115 lone 1 63 - 2 - HB2 SER 58 - HD3 LYS 65 lone 1 81 - 1 - HB2 SER 58 - HD2 LYS 65 lone 1 79 - 1 - HB2 SER 58 - HD2 LYS 115 lone 1 74 - 1 - HB2 SER 58 - HD3 LYS 115 lone 1 66 - 1 - Peak 4855 from cnoeabs.peaks (1.93, 1.65, 29.50 ppm; 2.80 A): 8 out of 80 assignments used, quality = 1.00: * HB2 LYS 65 + HD3 LYS 65 OK 87 100 - 87 - 3.4=56, 2.9/4840=7...(47) HB3 LYS 65 + HD3 LYS 65 OK 87 100 - 87 - 3.4=56, 2.9/4840=7...(47) HB2 LYS 65 + HD2 LYS 65 OK 86 99 - 87 - 3.4=56, 2.9/4840=7...(47) HB3 LYS 65 + HD2 LYS 65 OK 86 99 - 87 - 3.4=56, 2.9/4840=7...(47) HB3 LYS 115 + HD2 LYS 115 OK 74 96 - 77 - 3.7=43, 3.0/6735=5...(43) HB2 LYS 115 + HD2 LYS 115 OK 72 93 - 77 - 3.7=43, 3.0/6735=5...(43) HB3 LYS 115 + HD3 LYS 115 OK 69 89 - 77 - 3.7=43, 3.0/6735=5...(43) HB2 LYS 115 + HD3 LYS 115 OK 66 85 - 77 - 3.7=43, 3.0/6735=5...(43) HB2 LYS 65 - HD2 LYS 115 OK 45 96 - 47 - 2.9/4839=3, 3.0/4799=2...(16) HB3 LYS 65 - HD2 LYS 115 OK 45 96 - 47 - 2.9/4839=3, 3.0/4799=2...(16) HB2 LYS 65 - HD3 LYS 115 OK 42 89 - 47 - 2.9/4839=3, 3.0/4799=2...(16) HB3 LYS 65 - HD3 LYS 115 OK 42 89 - 47 - 2.9/4839=3, 3.0/4799=2...(16) HB3 LYS 115 - HD3 LYS 65 OK 36 100 - 36 - 3.0/6705=2, 4810=2...(11) HB3 LYS 115 - HD2 LYS 65 OK 35 99 - 36 - 3.0/6705=2, 4.0/722=2...(11) HB2 LYS 115 - HD3 LYS 65 OK 35 98 - 36 - 3.0/6705=2, 4.0/722=2...(11) HB2 LYS 115 - HD2 LYS 65 OK 34 97 - 36 - 3.0/6705=2, 4.0/722=2...(11) HB VAL 104 - HD2 LYS 115 OK 10 80 - 13 - 10225/2.9=3, ~10227=2...(6) HB VAL 104 - HD3 LYS 115 poor 9 72 - 13 - 10225/2.9=3, ~10227=2...(6) HB2 LEU 81 - HD3 LYS 65 lone 7 77 - 9 - ~10805=2, 3.1/11637=1 HB2 LEU 81 - HD2 LYS 65 lone 6 75 - 8 - ~10805=2 HB2 LYS 123 - HD3 LYS 65 lone 3 100 - 3 - HB2 LYS 123 - HD2 LYS 65 lone 3 99 - 3 - HB2 LYS 123 - HD2 LYS 115 lone 3 96 - 3 - HB VAL 104 - HD3 LYS 65 lone 3 87 - 3 - ~10981=1 HB VAL 104 - HD2 LYS 65 lone 3 85 - 3 - ~10981=1 HB2 LYS 123 - HD3 LYS 115 lone 3 89 - 3 - HB3 LYS 17 - HD2 LYS 115 lone 2 80 - 2 - HB2 LEU 70 - HD3 LYS 65 lone 2 96 - 2 - HB2 LEU 70 - HD2 LYS 65 lone 1 94 - 2 - HB2 LEU 81 - HD2 LYS 115 lone 1 70 - 2 - HB3 LYS 17 - HD3 LYS 115 lone 1 72 - 2 - HB2 LEU 81 - HD3 LYS 115 lone 1 63 - 2 - HB3 LYS 40 - HD2 LYS 115 lone 1 83 - 1 - HB3 LYS 40 - HD3 LYS 115 lone 1 74 - 1 - HB3 LYS 40 - HD3 LYS 65 lone 1 90 - 1 - HB3 LYS 40 - HD2 LYS 65 lone 1 88 - 1 - HB2 LEU 70 - HD2 LYS 115 lone 1 90 - 1 - HB2 LEU 127 - HD3 LYS 65 lone 1 100 - 1 - HB2 LYS 39 - HD3 LYS 65 lone 1 100 - 1 - HB2 LEU 127 - HD2 LYS 65 lone 1 99 - 1 - HB2 LYS 39 - HD2 LYS 65 lone 1 99 - 1 - HB2 LYS 39 - HD2 LYS 115 lone 1 96 - 1 - HB2 LEU 70 - HD3 LYS 115 lone 1 81 - 1 - HB2 LYS 39 - HD3 LYS 115 lone 1 89 - 1 - HB3 LYS 39 - HD3 LYS 65 lone 1 81 - 1 - HB3 LYS 17 - HD3 LYS 65 lone 1 87 - 1 - HB3 LYS 39 - HD2 LYS 65 lone 1 79 - 1 - HB3 LYS 39 - HD2 LYS 115 lone 1 74 - 1 - HB3 LYS 17 - HD2 LYS 65 lone 1 85 - 1 - HB3 LYS 39 - HD3 LYS 115 lone 1 66 - 1 - HB3 GLU 41 - HD3 LYS 65 lone 0 77 - 0 - HB3 GLU 41 - HD2 LYS 65 lone 0 75 - 0 - HB2 GLU 41 - HD3 LYS 65 lone 0 73 - 0 - HB2 GLU 41 - HD2 LYS 65 lone 0 71 - 0 - HB2 LEU 127 - HD2 LYS 115 lone 0 96 - 0 - HB3 GLU 41 - HD2 LYS 115 lone 0 70 - 0 - HB2 GLU 41 - HD2 LYS 115 lone 0 67 - 0 - HB VAL 29 - HD2 LYS 115 lone 0 55 - 1 - HB2 LEU 127 - HD3 LYS 115 lone 0 89 - 0 - HB ILE 15 - HD2 LYS 115 lone 0 55 - 1 - HB3 GLU 41 - HD3 LYS 115 lone 0 63 - 0 - HB VAL 29 - HD3 LYS 65 lone 0 61 - 0 - HB2 GLU 41 - HD3 LYS 115 lone 0 59 - 0 - HB VAL 29 - HD3 LYS 115 lone 0 49 - 1 - HB VAL 29 - HD2 LYS 65 lone 0 60 - 0 - HB3 GLU 52 - HD3 LYS 65 lone 0 65 - 0 - HB ILE 15 - HD3 LYS 115 lone 0 49 - 1 - HB3 GLU 52 - HD2 LYS 65 lone 0 64 - 0 - HG2 MET 121 - HD3 LYS 65 lone 0 70 - 0 - HG2 MET 121 - HD2 LYS 115 lone 0 63 - 0 - HG2 MET 121 - HD2 LYS 65 lone 0 68 - 0 - HB3 MET 42 - HD3 LYS 65 lone 0 73 - 0 - HB ILE 15 - HD3 LYS 65 lone 0 61 - 0 - HB3 MET 42 - HD2 LYS 65 lone 0 71 - 0 - HB3 GLU 52 - HD2 LYS 115 lone 0 59 - 0 - HB3 MET 42 - HD2 LYS 115 lone 0 67 - 0 - HB ILE 15 - HD2 LYS 65 lone 0 60 - 0 - HG2 MET 121 - HD3 LYS 115 lone 0 56 - 0 - HB3 GLU 52 - HD3 LYS 115 lone 0 52 - 0 - HB3 MET 42 - HD3 LYS 115 lone 0 59 - 0 - Peak 4856 from cnoeabs.peaks (1.93, 1.65, 29.50 ppm; 2.80 A): 8 out of 80 assignments used, quality = 1.00: HB2 LYS 65 + HD3 LYS 65 OK 87 100 - 87 - 3.4=56, 2.9/4840=7...(47) * HB3 LYS 65 + HD3 LYS 65 OK 87 100 - 87 - 3.4=56, 2.9/4840=7...(47) HB3 LYS 65 + HD2 LYS 65 OK 86 99 - 87 - 3.4=56, 2.9/4840=7...(47) HB2 LYS 65 + HD2 LYS 65 OK 86 99 - 87 - 3.4=56, 2.9/4840=7...(47) HB3 LYS 115 + HD2 LYS 115 OK 74 96 - 77 - 3.7=43, 3.0/6735=5...(43) HB2 LYS 115 + HD2 LYS 115 OK 73 94 - 77 - 3.7=43, 3.0/6735=5...(43) HB3 LYS 115 + HD3 LYS 115 OK 69 89 - 77 - 3.7=43, 3.0/6735=5...(43) HB2 LYS 115 + HD3 LYS 115 OK 67 86 - 77 - 3.7=43, 3.0/6735=5...(43) HB3 LYS 65 - HD2 LYS 115 OK 45 96 - 47 - 2.9/4839=3, 3.0/4799=2...(16) HB2 LYS 65 - HD2 LYS 115 OK 45 96 - 47 - 2.9/4839=3, 3.0/4799=2...(16) HB3 LYS 65 - HD3 LYS 115 OK 42 89 - 47 - 2.9/4839=3, 3.0/4799=2...(16) HB2 LYS 65 - HD3 LYS 115 OK 42 89 - 47 - 2.9/4839=3, 3.0/4799=2...(16) HB3 LYS 115 - HD3 LYS 65 OK 36 100 - 36 - 3.0/6705=2, 4810=2...(11) HB2 LYS 115 - HD3 LYS 65 OK 35 99 - 36 - 3.0/6705=2, 4.0/722=2...(11) HB3 LYS 115 - HD2 LYS 65 OK 35 99 - 36 - 3.0/6705=2, 4.0/722=2...(11) HB2 LYS 115 - HD2 LYS 65 OK 35 98 - 36 - 3.0/6705=2, 6715=2...(11) HB VAL 104 - HD2 LYS 115 poor 10 77 - 12 - 10225/2.9=3, ~10227=2...(6) HB VAL 104 - HD3 LYS 115 poor 9 69 - 12 - 10225/2.9=3, ~10227=2...(6) HB2 LEU 81 - HD3 LYS 65 lone 7 81 - 9 - ~10805=2, 3.1/11637=1 HB2 LEU 81 - HD2 LYS 65 lone 7 79 - 8 - ~10805=2 HB2 LYS 123 - HD3 LYS 65 lone 3 100 - 3 - HB2 LYS 123 - HD2 LYS 65 lone 3 99 - 3 - HB2 LYS 123 - HD2 LYS 115 lone 3 96 - 3 - HB VAL 104 - HD3 LYS 65 lone 3 84 - 3 - ~10981=1 HB2 LYS 123 - HD3 LYS 115 lone 3 89 - 3 - HB VAL 104 - HD2 LYS 65 lone 2 82 - 3 - ~10981=1 HB3 LYS 123 - HD3 LYS 65 lone 2 61 - 3 - HB3 LYS 123 - HD2 LYS 65 lone 2 60 - 3 - HB3 LYS 17 - HD2 LYS 115 lone 2 83 - 2 - HB3 LYS 123 - HD2 LYS 115 lone 2 55 - 3 - HB2 LEU 81 - HD2 LYS 115 lone 2 74 - 2 - HB2 LEU 70 - HD3 LYS 65 lone 1 94 - 2 - HB3 LYS 17 - HD3 LYS 115 lone 1 74 - 2 - HB2 LEU 70 - HD2 LYS 65 lone 1 92 - 2 - HB3 LYS 123 - HD3 LYS 115 lone 1 49 - 3 - HB2 LEU 81 - HD3 LYS 115 lone 1 66 - 2 - HB3 LYS 40 - HD2 LYS 115 lone 1 80 - 1 - HB3 LYS 40 - HD3 LYS 115 lone 1 72 - 1 - HB3 LYS 40 - HD3 LYS 65 lone 1 87 - 1 - HB3 LYS 40 - HD2 LYS 65 lone 1 85 - 1 - HB2 LEU 70 - HD2 LYS 115 lone 1 88 - 1 - HB2 LEU 127 - HD3 LYS 65 lone 1 100 - 1 - HB2 LYS 39 - HD3 LYS 65 lone 1 100 - 1 - HB2 LEU 127 - HD2 LYS 65 lone 1 99 - 1 - HB2 LYS 39 - HD2 LYS 65 lone 1 99 - 1 - HB2 LYS 39 - HD2 LYS 115 lone 1 96 - 1 - HB3 LYS 17 - HD3 LYS 65 lone 1 90 - 1 - HB2 LEU 70 - HD3 LYS 115 lone 1 79 - 1 - HB2 LYS 39 - HD3 LYS 115 lone 1 89 - 1 - HB3 LYS 17 - HD2 LYS 65 lone 1 88 - 1 - HB3 LYS 39 - HD3 LYS 65 lone 1 77 - 1 - HB3 LYS 39 - HD2 LYS 65 lone 1 75 - 1 - HB3 LYS 39 - HD2 LYS 115 lone 1 70 - 1 - HB3 LYS 39 - HD3 LYS 115 lone 0 63 - 1 - HB3 GLU 41 - HD3 LYS 65 lone 0 73 - 0 - HB3 GLU 41 - HD2 LYS 65 lone 0 71 - 0 - HB2 GLU 41 - HD3 LYS 65 lone 0 70 - 0 - HB2 GLU 41 - HD2 LYS 65 lone 0 68 - 0 - HB2 LEU 127 - HD2 LYS 115 lone 0 96 - 0 - HB ILE 15 - HD2 LYS 115 lone 0 59 - 1 - HB3 GLU 41 - HD2 LYS 115 lone 0 67 - 0 - HB2 LEU 127 - HD3 LYS 115 lone 0 89 - 0 - HB2 GLU 41 - HD2 LYS 115 lone 0 63 - 0 - HB ILE 15 - HD3 LYS 115 lone 0 52 - 1 - HB3 GLU 41 - HD3 LYS 115 lone 0 59 - 0 - HB2 GLU 41 - HD3 LYS 115 lone 0 56 - 0 - HB3 GLU 52 - HD3 LYS 65 lone 0 61 - 0 - HG2 MET 121 - HD3 LYS 65 lone 0 73 - 0 - HG2 MET 121 - HD2 LYS 115 lone 0 67 - 0 - HG2 MET 121 - HD2 LYS 65 lone 0 71 - 0 - HB3 GLU 52 - HD2 LYS 65 lone 0 60 - 0 - HB ILE 15 - HD3 LYS 65 lone 0 65 - 0 - HB ILE 15 - HD2 LYS 65 lone 0 64 - 0 - HG2 MET 121 - HD3 LYS 115 lone 0 59 - 0 - HB3 MET 42 - HD3 LYS 65 lone 0 70 - 0 - HB3 MET 42 - HD2 LYS 65 lone 0 68 - 0 - HB3 GLU 52 - HD2 LYS 115 lone 0 55 - 0 - HB3 MET 42 - HD2 LYS 115 lone 0 63 - 0 - HB3 GLU 52 - HD3 LYS 115 lone 0 49 - 0 - HB3 MET 42 - HD3 LYS 115 lone 0 56 - 0 - Peak 4857 from cnoeabs.peaks (1.55, 1.65, 29.50 ppm; 2.40 A): 4 out of 40 assignments used, quality = 0.99: * HG2 LYS 65 + HD3 LYS 65 OK 77 100 - 77 - 3.0=53, 1.8/4840=7...(15) HG2 LYS 65 + HD2 LYS 65 OK 76 99 - 77 - 3.0=53, 1.8/4840=7...(15) HG2 LYS 115 + HD2 LYS 115 OK 57 80 - 72 - 2.9=56, 6736/1.8=5...(10) HG2 LYS 115 + HD3 LYS 115 OK 51 72 - 72 - 2.9=56, 6736/1.8=5...(10) HG2 LYS 65 - HD2 LYS 115 OK 30 96 - 31 - 4830=4, 1.8/4839=3...(11) HG2 LYS 65 - HD3 LYS 115 OK 28 89 - 31 - 4829=4, 1.8/4839=3...(11) HG2 LYS 115 - HD3 LYS 65 OK 19 87 - 22 - 6735=2, 6736/1.8=1...(4) HG2 LYS 115 - HD2 LYS 65 OK 18 85 - 22 - 6735=2, 6735/1.8=1...(4) HD3 LYS 94 - HD3 LYS 65 lone 2 87 - 2 - HD2 LYS 94 - HD3 LYS 65 lone 2 87 - 2 - HD3 LYS 94 - HD2 LYS 65 lone 2 85 - 2 - HD2 LYS 94 - HD2 LYS 65 lone 2 85 - 2 - QB ALA 46 - HD3 LYS 65 lone 1 100 - 1 - QB ALA 46 - HD2 LYS 65 lone 1 99 - 1 - HG12 ILE 3 - HD2 LYS 115 lone 1 80 - 1 - HD3 LYS 94 - HD2 LYS 115 lone 1 80 - 1 - HD2 LYS 94 - HD2 LYS 115 lone 1 80 - 1 - HG12 ILE 3 - HD3 LYS 115 lone 1 72 - 1 - HD2 LYS 94 - HD3 LYS 115 lone 1 72 - 1 - HD3 LYS 94 - HD3 LYS 115 lone 1 72 - 1 - HG12 ILE 3 - HD3 LYS 65 lone 0 87 - 0 - HG12 ILE 3 - HD2 LYS 65 lone 0 85 - 0 - HG LEU 55 - HD2 LYS 115 lone 0 63 - 1 - HB VAL 78 - HD3 LYS 65 lone 0 96 - 0 - HB VAL 78 - HD2 LYS 65 lone 0 94 - 0 - QB ALA 46 - HD2 LYS 115 lone 0 96 - 0 - HD2 LYS 106 - HD2 LYS 115 lone 0 80 - 0 - HG LEU 55 - HD3 LYS 115 lone 0 56 - 1 - QB ALA 46 - HD3 LYS 115 lone 0 89 - 0 - HD2 LYS 106 - HD3 LYS 65 lone 0 87 - 0 - HD3 LYS 106 - HD2 LYS 115 lone 0 77 - 0 - HD2 LYS 106 - HD2 LYS 65 lone 0 85 - 0 - HB VAL 78 - HD2 LYS 115 lone 0 90 - 0 - HD3 LYS 106 - HD3 LYS 65 lone 0 84 - 0 - HD3 LYS 106 - HD2 LYS 65 lone 0 82 - 0 - HD2 LYS 106 - HD3 LYS 115 lone 0 72 - 0 - HD3 LYS 106 - HD3 LYS 115 lone 0 69 - 0 - HB VAL 78 - HD3 LYS 115 lone 0 81 - 0 - HG LEU 55 - HD3 LYS 65 lone 0 70 - 0 - HG LEU 55 - HD2 LYS 65 lone 0 68 - 0 - Peak 4858 from cnoeabs.peaks (1.34, 1.65, 29.50 ppm; 2.86 A): 2 out of 16 assignments used, quality = 1.00: * HG3 LYS 65 + HD3 LYS 65 OK 97 100 - 97 - 3.0=90, 4839/1.8=10...(29) HG3 LYS 65 + HD2 LYS 65 OK 96 99 - 97 - 3.0=90, 4840/1.8=10...(29) HG3 LYS 65 - HD2 LYS 115 OK 43 96 - 44 - 4839=7, 4839/1.8=5...(17) HG3 LYS 65 - HD3 LYS 115 OK 39 89 - 45 - 4839=7, 4839/1.8=5...(17) HG LEU 81 - HD3 LYS 65 OK 13 100 - 13 - ~10805=3, 4798/4.8=2...(4) HG LEU 81 - HD2 LYS 65 OK 12 99 - 12 - ~10805=3, 4798/4.8=2...(4) HB3 LEU 81 - HD3 LYS 65 lone 9 87 - 10 - ~10805=2, 4798/4.8=1 HB3 LEU 81 - HD2 LYS 65 lone 8 85 - 10 - ~10805=2, 4798/4.8=1 HG LEU 81 - HD2 LYS 115 lone 2 96 - 2 - HG LEU 81 - HD3 LYS 115 lone 1 89 - 2 - HB3 LEU 81 - HD2 LYS 115 lone 1 80 - 2 - HB3 LEU 81 - HD3 LYS 115 lone 1 72 - 2 - HG2 LYS 77 - HD3 LYS 65 lone 1 90 - 1 - HG2 LYS 77 - HD2 LYS 65 lone 1 88 - 1 - HG2 LYS 77 - HD2 LYS 115 lone 0 83 - 0 - HG2 LYS 77 - HD3 LYS 115 lone 0 74 - 0 - Peak 4859 from cnoeabs.peaks (1.65, 1.65, 29.50 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD3 LYS 65 + HD3 LYS 65 OK 100 100 - 100 HD2 LYS 65 + HD2 LYS 65 OK 99 99 - 100 HD2 LYS 115 + HD2 LYS 115 OK 96 96 - 100 HD3 LYS 115 + HD3 LYS 115 OK 86 86 - 100 Reference assignment not found: HD2 LYS 65 - HD3 LYS 65 Peak 4860 from cnoeabs.peaks (1.65, 1.65, 29.50 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD3 LYS 65 + HD3 LYS 65 OK 100 100 - 100 HD2 LYS 65 + HD2 LYS 65 OK 99 99 - 100 HD2 LYS 115 + HD2 LYS 115 OK 94 94 - 100 HD3 LYS 115 + HD3 LYS 115 OK 81 81 - 100 Peak 4861 from cnoeabs.peaks (2.92, 1.65, 29.50 ppm; 2.69 A): 8 out of 72 assignments used, quality = 1.00: * HE2 LYS 65 + HD3 LYS 65 OK 87 100 - 87 - 3.0=74, 3.7/4840=5...(28) HE3 LYS 65 + HD3 LYS 65 OK 87 100 - 87 - 3.0=74, 3.7/4840=5...(28) HE3 LYS 65 + HD2 LYS 65 OK 86 99 - 87 - 3.0=74, 3.7/4840=5...(28) HE2 LYS 65 + HD2 LYS 65 OK 86 99 - 87 - 3.0=74, 3.7/4840=5...(28) HE2 LYS 115 + HD2 LYS 115 OK 78 91 - 85 - 3.0=75, 6774/2.9=5...(22) HE3 LYS 115 + HD2 LYS 115 OK 78 91 - 85 - 3.0=75, 6774/2.9=5...(22) HE2 LYS 115 + HD3 LYS 115 OK 71 83 - 85 - 3.0=75, 6774/2.9=5...(22) HE3 LYS 115 + HD3 LYS 115 OK 71 83 - 85 - 3.0=75, 6774/2.9=5...(22) HE2 LYS 115 - HD3 LYS 65 OK 28 97 - 29 - 4878/3.0=2, 4880=1...(7) HE3 LYS 115 - HD3 LYS 65 OK 28 97 - 29 - 4878/3.0=2, 4880=1...(7) HE3 LYS 115 - HD2 LYS 65 OK 27 96 - 29 - 4868/3.0=2, 4870=1...(7) HE2 LYS 115 - HD2 LYS 65 OK 27 96 - 29 - 4868/3.0=2, 4880=1...(7) HE2 LYS 65 - HD2 LYS 115 OK 20 96 - 21 - 3.7/4839=2, 6774/2.9=2...(5) HE3 LYS 65 - HD2 LYS 115 OK 20 96 - 21 - 3.7/4839=2, 6774/2.9=2...(5) HE2 LYS 65 - HD3 LYS 115 OK 18 89 - 21 - 3.7/4839=2, 6774/2.9=2...(5) HE3 LYS 65 - HD3 LYS 115 OK 18 89 - 21 - 3.7/4839=2, 6774/2.9=2...(5) HE2 LYS 16 - HD2 LYS 115 lone 3 93 - 4 - HE3 LYS 16 - HD2 LYS 115 lone 3 93 - 4 - HE3 LYS 16 - HD3 LYS 65 lone 3 98 - 3 - HE2 LYS 16 - HD3 LYS 65 lone 3 98 - 3 - HE2 LYS 16 - HD2 LYS 65 lone 3 97 - 3 - HE3 LYS 16 - HD2 LYS 65 lone 3 97 - 3 - HE2 LYS 16 - HD3 LYS 115 lone 3 85 - 4 - HE3 LYS 16 - HD3 LYS 115 lone 3 85 - 4 - HE3 LYS 94 - HD3 LYS 65 lone 3 100 - 3 - HE3 LYS 94 - HD2 LYS 65 lone 3 99 - 3 - HE3 LYS 94 - HD2 LYS 115 lone 1 96 - 1 - HE3 LYS 94 - HD3 LYS 115 lone 1 89 - 1 - HE2 LYS 96 - HD3 LYS 65 lone 1 81 - 1 - HE3 LYS 96 - HD3 LYS 65 lone 1 81 - 1 - HE2 LYS 96 - HD2 LYS 65 lone 1 79 - 1 - HE3 LYS 96 - HD2 LYS 65 lone 1 79 - 1 - HE3 LYS 17 - HD2 LYS 115 lone 1 67 - 1 - HE3 LYS 17 - HD3 LYS 115 lone 1 59 - 1 - HE3 LYS 44 - HD3 LYS 65 lone 0 81 - 1 - HE2 LYS 44 - HD3 LYS 65 lone 0 81 - 1 - HE3 LYS 44 - HD2 LYS 65 lone 0 79 - 1 - HE2 LYS 44 - HD2 LYS 65 lone 0 79 - 1 - HE3 LYS 17 - HD3 LYS 65 lone 0 73 - 1 - HE3 LYS 17 - HD2 LYS 65 lone 0 71 - 1 - HE2 LYS 96 - HD2 LYS 115 lone 0 74 - 0 - HE3 LYS 96 - HD2 LYS 115 lone 0 74 - 0 - HB2 ASP 34 - HD3 LYS 65 lone 0 97 - 0 - HB2 ASN 33 - HD2 LYS 115 lone 0 93 - 0 - HB2 ASP 34 - HD2 LYS 65 lone 0 96 - 0 - HB2 ASP 34 - HD2 LYS 115 lone 0 91 - 0 - HE3 LYS 96 - HD3 LYS 115 lone 0 66 - 0 - HE2 LYS 96 - HD3 LYS 115 lone 0 66 - 0 - HB2 ASN 33 - HD3 LYS 65 lone 0 98 - 0 - HB2 ASN 33 - HD3 LYS 115 lone 0 85 - 0 - HB2 ASN 33 - HD2 LYS 65 lone 0 97 - 0 - HB2 ASP 34 - HD3 LYS 115 lone 0 83 - 0 - HB3 ASN 88 - HD3 LYS 65 lone 0 90 - 0 - HB3 ASN 88 - HD2 LYS 65 lone 0 88 - 0 - HB2 ASP 86 - HD3 LYS 65 lone 0 90 - 0 - HB2 ASP 86 - HD2 LYS 65 lone 0 88 - 0 - HE2 LYS 44 - HD2 LYS 115 lone 0 74 - 0 - HE3 LYS 44 - HD2 LYS 115 lone 0 74 - 0 - HB3 ASN 88 - HD2 LYS 115 lone 0 83 - 0 - HE3 LYS 44 - HD3 LYS 115 lone 0 66 - 0 - HE2 LYS 44 - HD3 LYS 115 lone 0 66 - 0 - HB2 ASN 10 - HD3 LYS 65 lone 0 92 - 0 - HB2 ASP 86 - HD2 LYS 115 lone 0 83 - 0 - HB2 ASN 10 - HD2 LYS 65 lone 0 90 - 0 - HB2 ASN 10 - HD2 LYS 115 lone 0 85 - 0 - HB3 ASN 88 - HD3 LYS 115 lone 0 74 - 0 - HB2 ASP 86 - HD3 LYS 115 lone 0 74 - 0 - HB2 ASN 10 - HD3 LYS 115 lone 0 77 - 0 - HD3 ARG 30 - HD3 LYS 65 lone 0 70 - 0 - HD3 ARG 30 - HD2 LYS 65 lone 0 68 - 0 - HD3 ARG 30 - HD2 LYS 115 lone 0 63 - 0 - HD3 ARG 30 - HD3 LYS 115 lone 0 56 - 0 - Peak 4862 from cnoeabs.peaks (2.92, 1.65, 29.50 ppm; 2.69 A): 8 out of 72 assignments used, quality = 1.00: HE2 LYS 65 + HD3 LYS 65 OK 87 100 - 87 - 3.0=74, 3.7/4840=5...(28) * HE3 LYS 65 + HD3 LYS 65 OK 87 100 - 87 - 3.0=74, 3.7/4840=5...(28) HE3 LYS 65 + HD2 LYS 65 OK 86 99 - 87 - 3.0=74, 3.7/4840=5...(28) HE2 LYS 65 + HD2 LYS 65 OK 86 99 - 87 - 3.0=74, 3.7/4840=5...(28) HE2 LYS 115 + HD2 LYS 115 OK 78 91 - 85 - 3.0=75, 6774/2.9=5...(22) HE3 LYS 115 + HD2 LYS 115 OK 78 91 - 85 - 3.0=75, 6774/2.9=5...(22) HE2 LYS 115 + HD3 LYS 115 OK 71 83 - 85 - 3.0=75, 6774/2.9=5...(22) HE3 LYS 115 + HD3 LYS 115 OK 71 83 - 85 - 3.0=75, 6774/2.9=5...(22) HE2 LYS 115 - HD3 LYS 65 OK 28 97 - 29 - 4878/3.0=2, 4880=1...(7) HE3 LYS 115 - HD3 LYS 65 OK 28 97 - 29 - 4878/3.0=2, 4880=1...(7) HE3 LYS 115 - HD2 LYS 65 OK 27 96 - 29 - 4868/3.0=2, 4870=1...(7) HE2 LYS 115 - HD2 LYS 65 OK 27 96 - 29 - 4868/3.0=2, 4880=1...(7) HE2 LYS 65 - HD2 LYS 115 OK 20 96 - 21 - 3.7/4839=2, 6774/2.9=2...(5) HE3 LYS 65 - HD2 LYS 115 OK 20 96 - 21 - 3.7/4839=2, 6774/2.9=2...(5) HE2 LYS 65 - HD3 LYS 115 OK 18 89 - 21 - 3.7/4839=2, 6774/2.9=2...(5) HE3 LYS 65 - HD3 LYS 115 OK 18 89 - 21 - 3.7/4839=2, 6774/2.9=2...(5) HE2 LYS 16 - HD2 LYS 115 lone 3 93 - 4 - HE3 LYS 16 - HD2 LYS 115 lone 3 93 - 4 - HE3 LYS 16 - HD3 LYS 65 lone 3 98 - 3 - HE2 LYS 16 - HD3 LYS 65 lone 3 98 - 3 - HE2 LYS 16 - HD2 LYS 65 lone 3 97 - 3 - HE3 LYS 16 - HD2 LYS 65 lone 3 97 - 3 - HE2 LYS 16 - HD3 LYS 115 lone 3 85 - 4 - HE3 LYS 16 - HD3 LYS 115 lone 3 85 - 4 - HE3 LYS 94 - HD3 LYS 65 lone 3 100 - 3 - HE3 LYS 94 - HD2 LYS 65 lone 3 99 - 3 - HE3 LYS 94 - HD2 LYS 115 lone 1 96 - 1 - HE3 LYS 94 - HD3 LYS 115 lone 1 89 - 1 - HE2 LYS 96 - HD3 LYS 65 lone 1 81 - 1 - HE3 LYS 96 - HD3 LYS 65 lone 1 81 - 1 - HE2 LYS 96 - HD2 LYS 65 lone 1 79 - 1 - HE3 LYS 96 - HD2 LYS 65 lone 1 79 - 1 - HE3 LYS 17 - HD2 LYS 115 lone 1 67 - 1 - HE3 LYS 17 - HD3 LYS 115 lone 1 59 - 1 - HE3 LYS 44 - HD3 LYS 65 lone 0 81 - 1 - HE2 LYS 44 - HD3 LYS 65 lone 0 81 - 1 - HE3 LYS 44 - HD2 LYS 65 lone 0 79 - 1 - HE2 LYS 44 - HD2 LYS 65 lone 0 79 - 1 - HE3 LYS 17 - HD3 LYS 65 lone 0 73 - 1 - HE3 LYS 17 - HD2 LYS 65 lone 0 71 - 1 - HE2 LYS 96 - HD2 LYS 115 lone 0 74 - 0 - HE3 LYS 96 - HD2 LYS 115 lone 0 74 - 0 - HB2 ASP 34 - HD3 LYS 65 lone 0 97 - 0 - HB2 ASN 33 - HD2 LYS 115 lone 0 93 - 0 - HB2 ASP 34 - HD2 LYS 65 lone 0 96 - 0 - HB2 ASP 34 - HD2 LYS 115 lone 0 91 - 0 - HE3 LYS 96 - HD3 LYS 115 lone 0 66 - 0 - HE2 LYS 96 - HD3 LYS 115 lone 0 66 - 0 - HB2 ASN 33 - HD3 LYS 65 lone 0 98 - 0 - HB2 ASN 33 - HD3 LYS 115 lone 0 85 - 0 - HB2 ASN 33 - HD2 LYS 65 lone 0 97 - 0 - HB2 ASP 34 - HD3 LYS 115 lone 0 83 - 0 - HB3 ASN 88 - HD3 LYS 65 lone 0 90 - 0 - HB3 ASN 88 - HD2 LYS 65 lone 0 88 - 0 - HB2 ASP 86 - HD3 LYS 65 lone 0 90 - 0 - HB2 ASP 86 - HD2 LYS 65 lone 0 88 - 0 - HE2 LYS 44 - HD2 LYS 115 lone 0 74 - 0 - HE3 LYS 44 - HD2 LYS 115 lone 0 74 - 0 - HB3 ASN 88 - HD2 LYS 115 lone 0 83 - 0 - HE3 LYS 44 - HD3 LYS 115 lone 0 66 - 0 - HE2 LYS 44 - HD3 LYS 115 lone 0 66 - 0 - HB2 ASN 10 - HD3 LYS 65 lone 0 92 - 0 - HB2 ASP 86 - HD2 LYS 115 lone 0 83 - 0 - HB2 ASN 10 - HD2 LYS 65 lone 0 90 - 0 - HB2 ASN 10 - HD2 LYS 115 lone 0 85 - 0 - HB3 ASN 88 - HD3 LYS 115 lone 0 74 - 0 - HB2 ASP 86 - HD3 LYS 115 lone 0 74 - 0 - HB2 ASN 10 - HD3 LYS 115 lone 0 77 - 0 - HD3 ARG 30 - HD3 LYS 65 lone 0 70 - 0 - HD3 ARG 30 - HD2 LYS 65 lone 0 68 - 0 - HD3 ARG 30 - HD2 LYS 115 lone 0 63 - 0 - HD3 ARG 30 - HD3 LYS 115 lone 0 56 - 0 - Peak 4865 from cnoeabs.peaks (1.93, 2.92, 41.78 ppm; 3.33 A): 12 out of 220 assignments used, quality = 1.00: HB2 LYS 65 + HE3 LYS 65 OK 82 100 - 82 - 4.8=34, 2.9/4868=7...(74) * HB2 LYS 65 + HE2 LYS 65 OK 82 100 - 82 - 4.8=34, 2.9/4868=7...(74) HB3 LYS 65 + HE3 LYS 65 OK 82 100 - 82 - 4.8=34, 2.9/4868=7...(74) HB3 LYS 65 + HE2 LYS 65 OK 82 100 - 82 - 4.8=34, 2.9/4868=7...(74) HB3 LYS 115 + HE3 LYS 115 OK 70 93 - 75 - 4.8=33, 3.0/6784=7...(51) HB3 LYS 115 + HE2 LYS 115 OK 70 93 - 75 - 4.8=33, 3.0/6784=7...(51) HB2 LYS 115 + HE2 LYS 115 OK 67 89 - 75 - 4.8=33, 3.0/6774=7...(55) HB2 LYS 115 + HE3 LYS 115 OK 67 89 - 75 - 4.8=33, 3.0/6774=7...(55) HB2 LYS 65 + HE2 LYS 115 OK 47 93 - 51 - 2.9/4878=3, 2.9/4831=2...(20) HB2 LYS 65 + HE3 LYS 115 OK 47 93 - 51 - 2.9/4878=3, 2.9/4831=2...(20) HB3 LYS 65 + HE2 LYS 115 OK 47 93 - 51 - 2.9/4878=3, 2.9/4832=2...(20) HB3 LYS 65 + HE3 LYS 115 OK 47 93 - 51 - 2.9/4878=3, 2.9/4832=2...(20) HB3 LYS 115 - HE2 LYS 65 OK 38 100 - 38 - 3.0/6774=2, ~6784=2...(12) HB3 LYS 115 - HE3 LYS 65 OK 38 100 - 38 - 3.0/6774=2, ~6784=2...(12) HB2 LYS 115 - HE3 LYS 65 OK 38 98 - 39 - 3.0/6774=2, ~6784=2...(12) HB2 LYS 115 - HE2 LYS 65 OK 38 98 - 39 - 3.0/6774=2, ~6784=2...(12) HB3 LYS 40 - HE2 LYS 16 OK 32 82 - 39 - 2.7/6009=3, ~2892=3...(19) HB3 LYS 40 - HE3 LYS 16 OK 32 82 - 39 - 2.7/6009=3, ~2892=3...(19) HB VAL 104 - HE3 LYS 94 poor 10 87 - 12 - 2.1/10234=6, 2.1/11307=2...(4) HB VAL 104 - HE3 LYS 115 poor 9 76 - 12 - 10225/3.7=4, 2.1/10234=3...(4) HB VAL 104 - HE2 LYS 115 poor 9 76 - 12 - 10225/3.7=4, 2.1/10234=3...(4) HB2 LYS 39 - HE3 LYS 44 poor 7 63 - 11 - HB2 LYS 39 - HE2 LYS 44 poor 7 63 - 11 - HB2 LEU 70 - HE3 LYS 94 lone 7 95 - 7 - 3.1/11307=2, 3.1/11307=2 HB3 LYS 115 - HE3 LYS 16 lone 7 96 - 7 - HB3 LYS 115 - HE2 LYS 16 lone 7 96 - 7 - HB2 LYS 115 - HE2 LYS 16 lone 6 92 - 7 - HB2 LYS 115 - HE3 LYS 16 lone 6 92 - 7 - HB3 LYS 65 - HE3 LYS 16 lone 6 96 - 6 - HB3 LYS 65 - HE2 LYS 16 lone 6 96 - 6 - HB2 LYS 65 - HE3 LYS 16 lone 6 96 - 6 - HB2 LYS 65 - HE2 LYS 16 lone 6 96 - 6 - HB3 LYS 40 - HE3 LYS 96 poor 5 50 - 11 - 8046/6.3=2, 3668/7.5=1 HB3 LYS 40 - HE2 LYS 96 poor 5 50 - 11 - 8046/6.3=2, 3668/7.5=1 HB2 LYS 65 - HE3 LYS 94 lone 5 100 - 5 - HB3 LYS 65 - HE3 LYS 94 lone 5 100 - 5 - HB2 LYS 123 - HE2 LYS 44 lone 5 63 - 8 - HB2 LYS 123 - HE3 LYS 44 lone 5 63 - 8 - HB3 LYS 39 - HE3 LYS 44 poor 5 44 - 11 - HB3 LYS 39 - HE2 LYS 44 poor 5 44 - 11 - HB2 LEU 81 - HE3 LYS 65 lone 4 77 - 6 - HB2 LEU 81 - HE2 LYS 65 lone 4 77 - 6 - HB3 LYS 17 - HE2 LYS 16 lone 4 79 - 6 - ~2816=1 HB3 LYS 17 - HE3 LYS 16 lone 4 79 - 6 - ~2816=1 HB2 LYS 39 - HE3 LYS 16 lone 4 96 - 4 - HB2 LYS 39 - HE2 LYS 16 lone 4 96 - 4 - HB3 LYS 39 - HE2 LYS 16 lone 3 73 - 5 - HB3 LYS 39 - HE3 LYS 16 lone 3 73 - 5 - HB VAL 104 - HE3 LYS 65 lone 3 87 - 3 - 2.1/10234=1 HB VAL 104 - HE2 LYS 65 lone 3 87 - 3 - 2.1/10234=1 HB2 LYS 123 - HE3 LYS 16 lone 3 96 - 3 - HB2 LYS 123 - HE2 LYS 16 lone 3 96 - 3 - HB2 LYS 123 - HE3 LYS 94 lone 3 100 - 3 - HB3 LYS 115 - HE3 LYS 94 lone 3 100 - 2 - HB2 LYS 123 - HE2 LYS 65 lone 3 100 - 3 - HB2 LYS 123 - HE3 LYS 65 lone 3 100 - 3 - HB2 LYS 39 - HE2 LYS 96 lone 2 63 - 4 - HB2 LYS 39 - HE3 LYS 96 lone 2 63 - 4 - HB2 LYS 123 - HE2 LYS 115 lone 2 93 - 2 - HB2 LYS 123 - HE3 LYS 115 lone 2 93 - 2 - HB2 LYS 115 - HE3 LYS 94 lone 2 98 - 2 - HB2 LYS 123 - HE2 LYS 96 lone 2 63 - 3 - HB2 LYS 123 - HE3 LYS 96 lone 2 63 - 3 - HB2 LEU 81 - HE2 LYS 115 lone 2 67 - 2 - HB2 LEU 81 - HE3 LYS 115 lone 2 67 - 2 - HB3 GLU 41 - HE3 LYS 44 lone 2 41 - 4 - ~10937=1, ~9396=1 HB3 GLU 41 - HE2 LYS 44 lone 2 41 - 4 - ~10937=1, ~9396=1 HB2 GLU 41 - HE3 LYS 44 lone 2 39 - 4 - ~10937=1, ~9396=1 HB2 GLU 41 - HE2 LYS 44 lone 2 39 - 4 - ~10937=1, ~9396=1 HB3 LYS 39 - HE3 LYS 96 lone 2 44 - 4 - HB3 LYS 39 - HE2 LYS 96 lone 2 44 - 4 - HB3 LYS 17 - HE2 LYS 115 lone 2 76 - 2 - HB3 LYS 17 - HE3 LYS 115 lone 2 76 - 2 - HB2 LYS 39 - HE3 LYS 94 lone 1 100 - 1 - HB2 LEU 70 - HE3 LYS 65 lone 1 96 - 1 - HB2 LEU 70 - HE2 LYS 65 lone 1 96 - 1 - HB3 LYS 40 - HE2 LYS 115 lone 1 79 - 2 - HB3 LYS 40 - HE3 LYS 115 lone 1 79 - 2 - HB3 LYS 40 - HE3 LYS 44 lone 1 50 - 3 - HB3 LYS 40 - HE2 LYS 44 lone 1 50 - 3 - HB VAL 29 - HE3 LYS 94 lone 1 61 - 2 - HB3 LYS 40 - HE3 LYS 94 lone 1 89 - 1 - HB3 LYS 39 - HE3 LYS 94 lone 1 80 - 1 - HB3 LYS 40 - HE3 LYS 65 lone 1 90 - 1 - HB3 LYS 40 - HE2 LYS 65 lone 1 90 - 1 - HB3 MET 42 - HE3 LYS 94 lone 1 73 - 1 - HB2 LYS 39 - HE2 LYS 65 lone 1 100 - 1 - HB2 LYS 39 - HE3 LYS 65 lone 1 100 - 1 - HB2 LYS 39 - HE2 LYS 115 lone 1 93 - 1 - HB2 LYS 39 - HE3 LYS 115 lone 1 93 - 1 - HB2 LEU 70 - HE2 LYS 115 lone 1 86 - 1 - HB2 LEU 70 - HE3 LYS 115 lone 1 86 - 1 - HB3 MET 42 - HE2 LYS 16 lone 1 66 - 1 - HB3 MET 42 - HE3 LYS 16 lone 1 66 - 1 - HB3 LYS 39 - HE3 LYS 65 lone 1 81 - 1 - HB3 LYS 39 - HE2 LYS 65 lone 1 81 - 1 - HB ILE 15 - HE3 LYS 16 lone 1 55 - 2 - 77/7.4=1 HB ILE 15 - HE2 LYS 16 lone 1 55 - 2 - 77/7.4=1 HB2 LEU 81 - HE3 LYS 94 lone 1 77 - 1 - HB VAL 104 - HE3 LYS 96 lone 1 48 - 2 - HB VAL 104 - HE2 LYS 96 lone 1 48 - 2 - HB3 GLU 41 - HE2 LYS 16 lone 1 70 - 1 - HB3 GLU 41 - HE3 LYS 16 lone 1 70 - 1 - HB2 LYS 65 - HE2 LYS 96 lone 1 63 - 1 - HB2 LYS 65 - HE3 LYS 96 lone 1 63 - 1 - HB3 LYS 39 - HE3 LYS 115 lone 1 70 - 1 - HB3 LYS 39 - HE2 LYS 115 lone 1 70 - 1 - HB3 LYS 65 - HE3 LYS 96 lone 1 63 - 1 - HB3 LYS 65 - HE2 LYS 96 lone 1 63 - 1 - HB VAL 104 - HE3 LYS 16 lone 1 79 - 1 - HB VAL 104 - HE2 LYS 16 lone 1 79 - 1 - HB2 GLU 41 - HE3 LYS 16 lone 1 66 - 1 - HB2 GLU 41 - HE2 LYS 16 lone 1 66 - 1 - HB2 LEU 70 - HE3 LYS 96 lone 1 56 - 1 - HB2 LEU 70 - HE2 LYS 96 lone 1 56 - 1 - HB3 LYS 65 - HE2 LYS 44 lone 1 63 - 1 - HB3 LYS 65 - HE3 LYS 44 lone 1 63 - 1 - HB2 LYS 65 - HE3 LYS 44 lone 1 63 - 1 - HB2 LYS 65 - HE2 LYS 44 lone 1 63 - 1 - HB3 LYS 115 - HE3 LYS 96 lone 1 63 - 1 - HB3 LYS 115 - HE2 LYS 96 lone 1 63 - 1 - HB2 LEU 70 - HE3 LYS 16 lone 1 89 - 1 - HB2 LEU 70 - HE2 LYS 16 lone 1 89 - 1 - HB2 LYS 115 - HE3 LYS 96 lone 1 59 - 1 - HB2 LYS 115 - HE2 LYS 96 lone 1 59 - 1 - HB2 LEU 70 - HE2 LYS 44 lone 0 56 - 1 - HB2 LEU 70 - HE3 LYS 44 lone 0 56 - 1 - HB3 LYS 115 - HE2 LYS 44 lone 0 63 - 1 - HB3 LYS 115 - HE3 LYS 44 lone 0 63 - 1 - HB2 LEU 127 - HE2 LYS 65 lone 0 100 - 0 - HB2 LEU 127 - HE3 LYS 65 lone 0 100 - 0 - HB3 LYS 17 - HE3 LYS 94 lone 0 87 - 1 - HB VAL 104 - HE2 LYS 44 lone 0 48 - 1 - HB VAL 104 - HE3 LYS 44 lone 0 48 - 1 - HB2 LYS 115 - HE2 LYS 44 lone 0 59 - 1 - HB2 LYS 115 - HE3 LYS 44 lone 0 59 - 1 - HB2 LEU 127 - HE3 LYS 94 lone 0 100 - 0 - HB2 LEU 127 - HE3 LYS 16 lone 0 96 - 0 - HB2 LEU 127 - HE2 LYS 16 lone 0 96 - 0 - HB2 LEU 81 - HE2 LYS 16 lone 0 70 - 1 - HB2 LEU 81 - HE3 LYS 16 lone 0 70 - 1 - HB VAL 29 - HE3 LYS 115 lone 0 52 - 1 - HB VAL 29 - HE2 LYS 115 lone 0 52 - 1 - HB3 LYS 17 - HE3 LYS 65 lone 0 87 - 0 - HB3 LYS 17 - HE2 LYS 65 lone 0 87 - 0 - HB2 LEU 127 - HE2 LYS 115 lone 0 93 - 0 - HB2 LEU 127 - HE3 LYS 115 lone 0 93 - 0 - HB3 LYS 17 - HE2 LYS 96 lone 0 48 - 1 - HB3 LYS 17 - HE3 LYS 96 lone 0 48 - 1 - HB3 GLU 41 - HE2 LYS 96 lone 0 41 - 1 - HB3 GLU 41 - HE3 LYS 96 lone 0 41 - 1 - HB3 GLU 52 - HE3 LYS 94 lone 0 65 - 0 - HB VAL 29 - HE3 LYS 16 lone 0 55 - 1 - HB VAL 29 - HE2 LYS 16 lone 0 55 - 1 - HB2 GLU 41 - HE3 LYS 96 lone 0 39 - 1 - HB2 GLU 41 - HE2 LYS 96 lone 0 39 - 1 - HB3 GLU 41 - HE3 LYS 94 lone 0 77 - 0 - HB3 GLU 41 - HE3 LYS 65 lone 0 77 - 0 - HB3 GLU 41 - HE2 LYS 65 lone 0 77 - 0 - HG2 MET 121 - HE2 LYS 65 lone 0 70 - 0 - HG2 MET 121 - HE3 LYS 65 lone 0 70 - 0 - HB VAL 29 - HE2 LYS 65 lone 0 61 - 0 - HB VAL 29 - HE3 LYS 65 lone 0 61 - 0 - HB2 GLU 41 - HE3 LYS 94 lone 0 73 - 0 - HB2 GLU 41 - HE2 LYS 65 lone 0 73 - 0 - HB2 GLU 41 - HE3 LYS 65 lone 0 73 - 0 - HB3 MET 42 - HE2 LYS 65 lone 0 73 - 0 - HB3 MET 42 - HE3 LYS 65 lone 0 73 - 0 - HB3 GLU 41 - HE2 LYS 115 lone 0 67 - 0 - HB3 GLU 41 - HE3 LYS 115 lone 0 67 - 0 - HB ILE 15 - HE2 LYS 115 lone 0 52 - 1 - HB ILE 15 - HE3 LYS 115 lone 0 52 - 1 - HG2 MET 121 - HE3 LYS 94 lone 0 69 - 0 - HG2 MET 121 - HE3 LYS 115 lone 0 60 - 0 - HG2 MET 121 - HE2 LYS 115 lone 0 60 - 0 - HB3 GLU 52 - HE2 LYS 65 lone 0 65 - 0 - HB3 GLU 52 - HE3 LYS 65 lone 0 65 - 0 - HG2 MET 121 - HE2 LYS 16 lone 0 62 - 0 - HG2 MET 121 - HE3 LYS 16 lone 0 62 - 0 - HB2 GLU 41 - HE2 LYS 115 lone 0 63 - 0 - HB2 GLU 41 - HE3 LYS 115 lone 0 63 - 0 - HB3 MET 42 - HE3 LYS 115 lone 0 63 - 0 - HB3 MET 42 - HE2 LYS 115 lone 0 63 - 0 - HB2 LEU 127 - HE3 LYS 96 lone 0 63 - 0 - HB2 LEU 127 - HE2 LYS 96 lone 0 63 - 0 - HB ILE 15 - HE3 LYS 94 lone 0 61 - 0 - HB ILE 15 - HE2 LYS 65 lone 0 61 - 0 - HB ILE 15 - HE3 LYS 65 lone 0 61 - 0 - HB3 GLU 52 - HE3 LYS 16 lone 0 58 - 0 - HB3 GLU 52 - HE2 LYS 16 lone 0 58 - 0 - HB3 GLU 52 - HE2 LYS 115 lone 0 56 - 0 - HB3 GLU 52 - HE3 LYS 115 lone 0 56 - 0 - HB3 LYS 17 - HE3 LYS 44 lone 0 48 - 0 - HB3 LYS 17 - HE2 LYS 44 lone 0 48 - 0 - HB2 LEU 127 - HE3 LYS 44 lone 0 63 - 0 - HB2 LEU 127 - HE2 LYS 44 lone 0 63 - 0 - HB2 LEU 81 - HE2 LYS 44 lone 0 41 - 0 - HB2 LEU 81 - HE3 LYS 44 lone 0 41 - 0 - HB2 LEU 81 - HE3 LYS 96 lone 0 41 - 0 - HB2 LEU 81 - HE2 LYS 96 lone 0 41 - 0 - HB3 MET 42 - HE3 LYS 44 lone 0 39 - 0 - HB3 MET 42 - HE2 LYS 44 lone 0 39 - 0 - HB VAL 29 - HE2 LYS 96 lone 0 31 - 0 - HB VAL 29 - HE3 LYS 96 lone 0 31 - 0 - HG2 MET 121 - HE2 LYS 44 lone 0 36 - 0 - HG2 MET 121 - HE3 LYS 44 lone 0 36 - 0 - HB3 GLU 52 - HE3 LYS 44 lone 0 34 - 0 - HB3 GLU 52 - HE2 LYS 44 lone 0 34 - 0 - HG2 MET 121 - HE2 LYS 96 lone 0 36 - 0 - HG2 MET 121 - HE3 LYS 96 lone 0 36 - 0 - HB VAL 29 - HE2 LYS 44 lone 0 31 - 0 - HB VAL 29 - HE3 LYS 44 lone 0 31 - 0 - HB3 MET 42 - HE3 LYS 96 lone 0 39 - 0 - HB3 MET 42 - HE2 LYS 96 lone 0 39 - 0 - HB3 GLU 52 - HE3 LYS 96 lone 0 34 - 0 - HB3 GLU 52 - HE2 LYS 96 lone 0 34 - 0 - HB ILE 15 - HE3 LYS 44 lone 0 31 - 0 - HB ILE 15 - HE2 LYS 44 lone 0 31 - 0 - HB ILE 15 - HE3 LYS 96 lone 0 31 - 0 - HB ILE 15 - HE2 LYS 96 lone 0 31 - 0 - Peak 4866 from cnoeabs.peaks (1.93, 2.92, 41.78 ppm; 3.33 A): 12 out of 220 assignments used, quality = 1.00: HB2 LYS 65 + HE2 LYS 65 OK 82 100 - 82 - 4.8=34, 2.9/4878=7...(74) HB2 LYS 65 + HE3 LYS 65 OK 82 100 - 82 - 4.8=34, 2.9/4878=7...(74) HB3 LYS 65 + HE3 LYS 65 OK 82 100 - 82 - 4.8=34, 2.9/4878=7...(74) * HB3 LYS 65 + HE2 LYS 65 OK 82 100 - 82 - 4.8=34, 2.9/4878=7...(74) HB3 LYS 115 + HE3 LYS 115 OK 70 93 - 75 - 4.8=33, 3.0/6784=7...(51) HB3 LYS 115 + HE2 LYS 115 OK 70 93 - 75 - 4.8=33, 3.0/6784=7...(51) HB2 LYS 115 + HE3 LYS 115 OK 68 91 - 75 - 4.8=33, 3.0/6784=7...(55) HB2 LYS 115 + HE2 LYS 115 OK 68 91 - 75 - 4.8=33, 3.0/6784=7...(55) HB3 LYS 65 + HE2 LYS 115 OK 47 93 - 51 - 2.9/4878=3, 2.9/4831=2...(20) HB3 LYS 65 + HE3 LYS 115 OK 47 93 - 51 - 2.9/4878=3, 2.9/4831=2...(20) HB2 LYS 65 + HE3 LYS 115 OK 47 93 - 51 - 2.9/4878=3, 2.9/4832=2...(20) HB2 LYS 65 + HE2 LYS 115 OK 47 93 - 51 - 2.9/4878=3, 2.9/4832=2...(20) HB3 LYS 115 - HE3 LYS 65 OK 38 100 - 38 - 3.0/6774=2, ~6784=2...(12) HB3 LYS 115 - HE2 LYS 65 OK 38 100 - 38 - 3.0/6774=2, ~6784=2...(12) HB2 LYS 115 - HE2 LYS 65 OK 38 99 - 39 - 3.0/6774=2, ~6784=2...(12) HB2 LYS 115 - HE3 LYS 65 OK 38 99 - 39 - 3.0/6774=2, ~6784=2...(12) HB3 LYS 40 - HE3 LYS 16 OK 31 79 - 39 - 2.7/6009=3, ~2892=3...(19) HB3 LYS 40 - HE2 LYS 16 OK 31 79 - 39 - 2.7/6009=3, ~2892=3...(19) HB VAL 104 - HE3 LYS 94 poor 10 84 - 12 - 2.1/10234=6, 2.1/11307=2...(4) HB VAL 104 - HE3 LYS 115 poor 8 73 - 11 - 10225/3.7=3, 2.1/10234=3...(4) HB VAL 104 - HE2 LYS 115 poor 8 73 - 11 - 10225/3.7=3, 2.1/10234=3...(4) HB2 LYS 39 - HE2 LYS 44 poor 7 63 - 11 - HB2 LYS 39 - HE3 LYS 44 poor 7 63 - 11 - HB2 LEU 70 - HE3 LYS 94 lone 7 94 - 7 - 3.1/11307=2, 3.1/11307=2 HB3 LYS 115 - HE2 LYS 16 lone 7 96 - 7 - HB3 LYS 115 - HE3 LYS 16 lone 7 96 - 7 - HB2 LYS 115 - HE2 LYS 16 lone 7 93 - 7 - HB2 LYS 115 - HE3 LYS 16 lone 7 93 - 7 - HB3 LYS 65 - HE2 LYS 16 lone 6 96 - 6 - HB3 LYS 65 - HE3 LYS 16 lone 6 96 - 6 - HB2 LYS 65 - HE2 LYS 16 lone 6 96 - 6 - HB2 LYS 65 - HE3 LYS 16 lone 6 96 - 6 - HB2 LYS 65 - HE3 LYS 94 lone 5 100 - 5 - HB3 LYS 65 - HE3 LYS 94 lone 5 100 - 5 - HB3 LYS 40 - HE3 LYS 96 poor 5 48 - 11 - 8046/6.3=2 HB3 LYS 40 - HE2 LYS 96 poor 5 48 - 11 - 8046/6.3=2 HB2 LYS 123 - HE2 LYS 44 lone 5 63 - 8 - HB2 LYS 123 - HE3 LYS 44 lone 5 63 - 8 - HB2 LEU 81 - HE3 LYS 65 lone 5 81 - 6 - HB2 LEU 81 - HE2 LYS 65 lone 5 81 - 6 - HB3 LYS 17 - HE2 LYS 16 lone 5 82 - 6 - ~2816=1 HB3 LYS 17 - HE3 LYS 16 lone 5 82 - 6 - ~2816=1 HB3 LYS 39 - HE3 LYS 44 poor 4 41 - 11 - HB3 LYS 39 - HE2 LYS 44 poor 4 41 - 11 - HB2 LYS 39 - HE2 LYS 16 lone 4 96 - 4 - HB2 LYS 39 - HE3 LYS 16 lone 4 96 - 4 - HB3 LYS 39 - HE3 LYS 16 lone 3 70 - 4 - HB3 LYS 39 - HE2 LYS 16 lone 3 70 - 4 - HB VAL 104 - HE2 LYS 65 lone 3 84 - 3 - 2.1/10234=1 HB VAL 104 - HE3 LYS 65 lone 3 84 - 3 - 2.1/10234=1 HB2 LYS 123 - HE3 LYS 16 lone 3 96 - 3 - HB2 LYS 123 - HE2 LYS 16 lone 3 96 - 3 - HB2 LYS 123 - HE3 LYS 94 lone 3 100 - 3 - HB3 LYS 115 - HE3 LYS 94 lone 3 100 - 2 - HB2 LYS 123 - HE3 LYS 65 lone 3 100 - 3 - HB2 LYS 123 - HE2 LYS 65 lone 3 100 - 3 - HB2 LYS 39 - HE3 LYS 96 lone 2 63 - 4 - HB2 LYS 39 - HE2 LYS 96 lone 2 63 - 4 - HB2 LYS 123 - HE2 LYS 115 lone 2 93 - 2 - HB2 LYS 123 - HE3 LYS 115 lone 2 93 - 2 - HB2 LYS 115 - HE3 LYS 94 lone 2 99 - 2 - HB3 LYS 123 - HE2 LYS 44 lone 2 31 - 7 - HB3 LYS 123 - HE3 LYS 44 lone 2 31 - 7 - HB2 LYS 123 - HE3 LYS 96 lone 2 63 - 3 - HB2 LYS 123 - HE2 LYS 96 lone 2 63 - 3 - HB2 LEU 81 - HE2 LYS 115 lone 2 70 - 2 - HB2 LEU 81 - HE3 LYS 115 lone 2 70 - 2 - HB3 LYS 123 - HE2 LYS 16 lone 2 55 - 3 - HB3 LYS 123 - HE3 LYS 16 lone 2 55 - 3 - HB3 LYS 123 - HE3 LYS 65 lone 2 61 - 3 - HB3 LYS 123 - HE2 LYS 65 lone 2 61 - 3 - HB3 LYS 17 - HE2 LYS 115 lone 2 79 - 2 - HB3 LYS 17 - HE3 LYS 115 lone 2 79 - 2 - HB3 GLU 41 - HE3 LYS 44 lone 2 39 - 4 - ~10937=1, ~9396=1 HB3 GLU 41 - HE2 LYS 44 lone 2 39 - 4 - ~10937=1, ~9396=1 HB2 LYS 39 - HE3 LYS 94 lone 1 100 - 1 - HB3 LYS 123 - HE3 LYS 115 lone 1 52 - 3 - HB3 LYS 123 - HE2 LYS 115 lone 1 52 - 3 - HB2 GLU 41 - HE3 LYS 44 lone 1 36 - 4 - ~10937=1, ~9396=1 HB2 GLU 41 - HE2 LYS 44 lone 1 36 - 4 - ~10937=1, ~9396=1 HB2 LEU 70 - HE3 LYS 65 lone 1 94 - 1 - HB2 LEU 70 - HE2 LYS 65 lone 1 94 - 1 - HB3 LYS 39 - HE2 LYS 96 lone 1 41 - 4 - HB3 LYS 39 - HE3 LYS 96 lone 1 41 - 4 - HB3 LYS 40 - HE2 LYS 115 lone 1 76 - 2 - HB3 LYS 40 - HE3 LYS 115 lone 1 76 - 2 - HB3 LYS 40 - HE3 LYS 44 lone 1 48 - 3 - HB3 LYS 40 - HE2 LYS 44 lone 1 48 - 3 - HB3 LYS 123 - HE3 LYS 94 lone 1 61 - 2 - HB3 LYS 40 - HE3 LYS 94 lone 1 87 - 1 - HB3 LYS 39 - HE3 LYS 94 lone 1 77 - 1 - HB3 LYS 40 - HE2 LYS 65 lone 1 87 - 1 - HB3 LYS 40 - HE3 LYS 65 lone 1 87 - 1 - HB2 LYS 39 - HE3 LYS 65 lone 1 100 - 1 - HB2 LYS 39 - HE2 LYS 65 lone 1 100 - 1 - HB3 MET 42 - HE3 LYS 94 lone 1 69 - 1 - HB ILE 15 - HE2 LYS 16 lone 1 58 - 2 - 77/7.4=1 HB ILE 15 - HE3 LYS 16 lone 1 58 - 2 - 77/7.4=1 HB2 LYS 39 - HE2 LYS 115 lone 1 93 - 1 - HB2 LYS 39 - HE3 LYS 115 lone 1 93 - 1 - HB2 LEU 70 - HE3 LYS 115 lone 1 84 - 1 - HB2 LEU 70 - HE2 LYS 115 lone 1 84 - 1 - HB2 LEU 81 - HE3 LYS 94 lone 1 80 - 1 - HB3 LYS 39 - HE2 LYS 65 lone 1 77 - 1 - HB3 LYS 39 - HE3 LYS 65 lone 1 77 - 1 - HB3 MET 42 - HE2 LYS 16 lone 1 62 - 1 - HB3 MET 42 - HE3 LYS 16 lone 1 62 - 1 - HB2 LYS 65 - HE3 LYS 96 lone 1 63 - 1 - HB2 LYS 65 - HE2 LYS 96 lone 1 63 - 1 - HB3 LYS 65 - HE2 LYS 96 lone 1 63 - 1 - HB3 LYS 65 - HE3 LYS 96 lone 1 63 - 1 - HB VAL 104 - HE2 LYS 96 lone 1 46 - 2 - HB VAL 104 - HE3 LYS 96 lone 1 46 - 2 - HB3 LYS 39 - HE2 LYS 115 lone 1 67 - 1 - HB3 LYS 39 - HE3 LYS 115 lone 1 67 - 1 - HB3 GLU 41 - HE2 LYS 16 lone 1 66 - 1 - HB3 GLU 41 - HE3 LYS 16 lone 1 66 - 1 - HB VAL 104 - HE2 LYS 16 lone 1 76 - 1 - HB VAL 104 - HE3 LYS 16 lone 1 76 - 1 - HB3 LYS 65 - HE3 LYS 44 lone 1 63 - 1 - HB3 LYS 65 - HE2 LYS 44 lone 1 63 - 1 - HB2 GLU 41 - HE2 LYS 16 lone 1 62 - 1 - HB2 GLU 41 - HE3 LYS 16 lone 1 62 - 1 - HB2 LYS 65 - HE3 LYS 44 lone 1 63 - 1 - HB2 LYS 65 - HE2 LYS 44 lone 1 63 - 1 - HB3 LYS 115 - HE3 LYS 96 lone 1 63 - 1 - HB3 LYS 115 - HE2 LYS 96 lone 1 63 - 1 - HB2 LEU 70 - HE2 LYS 96 lone 1 54 - 1 - HB2 LEU 70 - HE3 LYS 96 lone 1 54 - 1 - HB3 LYS 123 - HE2 LYS 96 lone 1 31 - 2 - HB3 LYS 123 - HE3 LYS 96 lone 1 31 - 2 - HB2 LYS 115 - HE3 LYS 96 lone 1 60 - 1 - HB2 LYS 115 - HE2 LYS 96 lone 1 60 - 1 - HB2 LEU 70 - HE3 LYS 16 lone 1 87 - 1 - HB2 LEU 70 - HE2 LYS 16 lone 1 87 - 1 - HB3 LYS 17 - HE3 LYS 94 lone 0 89 - 1 - HB2 LEU 127 - HE2 LYS 65 lone 0 100 - 0 - HB2 LEU 127 - HE3 LYS 65 lone 0 100 - 0 - HB3 LYS 115 - HE2 LYS 44 lone 0 63 - 1 - HB3 LYS 115 - HE3 LYS 44 lone 0 63 - 1 - HB2 LEU 70 - HE3 LYS 44 lone 0 54 - 1 - HB2 LEU 70 - HE2 LYS 44 lone 0 54 - 1 - HB2 LEU 81 - HE3 LYS 16 lone 0 73 - 1 - HB2 LEU 81 - HE2 LYS 16 lone 0 73 - 1 - HB2 LYS 115 - HE3 LYS 44 lone 0 60 - 1 - HB2 LYS 115 - HE2 LYS 44 lone 0 60 - 1 - HB2 LEU 127 - HE3 LYS 94 lone 0 100 - 0 - HB2 LEU 127 - HE3 LYS 16 lone 0 96 - 0 - HB2 LEU 127 - HE2 LYS 16 lone 0 96 - 0 - HB3 LYS 17 - HE3 LYS 65 lone 0 90 - 0 - HB3 LYS 17 - HE2 LYS 65 lone 0 90 - 0 - HB VAL 104 - HE2 LYS 44 lone 0 46 - 1 - HB VAL 104 - HE3 LYS 44 lone 0 46 - 1 - HB2 LEU 127 - HE3 LYS 115 lone 0 93 - 0 - HB2 LEU 127 - HE2 LYS 115 lone 0 93 - 0 - HB3 LYS 17 - HE2 LYS 96 lone 0 50 - 1 - HB3 LYS 17 - HE3 LYS 96 lone 0 50 - 1 - HG2 MET 121 - HE3 LYS 65 lone 0 73 - 0 - HG2 MET 121 - HE2 LYS 65 lone 0 73 - 0 - HB3 GLU 52 - HE3 LYS 94 lone 0 61 - 0 - HB3 GLU 41 - HE3 LYS 96 lone 0 39 - 1 - HB3 GLU 41 - HE2 LYS 96 lone 0 39 - 1 - HB3 GLU 41 - HE3 LYS 94 lone 0 73 - 0 - HB3 GLU 41 - HE2 LYS 65 lone 0 73 - 0 - HB3 GLU 41 - HE3 LYS 65 lone 0 73 - 0 - HB ILE 15 - HE3 LYS 115 lone 0 56 - 1 - HB ILE 15 - HE2 LYS 115 lone 0 56 - 1 - HB2 GLU 41 - HE2 LYS 96 lone 0 36 - 1 - HB2 GLU 41 - HE3 LYS 96 lone 0 36 - 1 - HG2 MET 121 - HE3 LYS 94 lone 0 73 - 0 - HG2 MET 121 - HE2 LYS 115 lone 0 63 - 0 - HG2 MET 121 - HE3 LYS 115 lone 0 63 - 0 - HG2 MET 121 - HE2 LYS 16 lone 0 66 - 0 - HG2 MET 121 - HE3 LYS 16 lone 0 66 - 0 - HB2 GLU 41 - HE2 LYS 65 lone 0 70 - 0 - HB2 GLU 41 - HE3 LYS 65 lone 0 70 - 0 - HB2 GLU 41 - HE3 LYS 94 lone 0 69 - 0 - HB3 MET 42 - HE2 LYS 65 lone 0 70 - 0 - HB3 MET 42 - HE3 LYS 65 lone 0 70 - 0 - HB3 GLU 41 - HE2 LYS 115 lone 0 63 - 0 - HB3 GLU 41 - HE3 LYS 115 lone 0 63 - 0 - HB ILE 15 - HE3 LYS 94 lone 0 65 - 0 - HB3 GLU 52 - HE3 LYS 65 lone 0 61 - 0 - HB3 GLU 52 - HE2 LYS 65 lone 0 61 - 0 - HB ILE 15 - HE2 LYS 65 lone 0 65 - 0 - HB ILE 15 - HE3 LYS 65 lone 0 65 - 0 - HB2 GLU 41 - HE3 LYS 115 lone 0 60 - 0 - HB2 GLU 41 - HE2 LYS 115 lone 0 60 - 0 - HB3 LYS 17 - HE2 LYS 44 lone 0 50 - 0 - HB3 LYS 17 - HE3 LYS 44 lone 0 50 - 0 - HB3 MET 42 - HE2 LYS 115 lone 0 60 - 0 - HB3 MET 42 - HE3 LYS 115 lone 0 60 - 0 - HB2 LEU 127 - HE2 LYS 96 lone 0 63 - 0 - HB2 LEU 127 - HE3 LYS 96 lone 0 63 - 0 - HB2 LEU 127 - HE3 LYS 44 lone 0 63 - 0 - HB2 LEU 127 - HE2 LYS 44 lone 0 63 - 0 - HB3 GLU 52 - HE3 LYS 16 lone 0 55 - 0 - HB3 GLU 52 - HE2 LYS 16 lone 0 55 - 0 - HB3 GLU 52 - HE3 LYS 115 lone 0 52 - 0 - HB3 GLU 52 - HE2 LYS 115 lone 0 52 - 0 - HB2 LEU 81 - HE2 LYS 44 lone 0 44 - 0 - HB2 LEU 81 - HE3 LYS 44 lone 0 44 - 0 - HB2 LEU 81 - HE2 LYS 96 lone 0 44 - 0 - HB2 LEU 81 - HE3 LYS 96 lone 0 44 - 0 - HG2 MET 121 - HE3 LYS 44 lone 0 39 - 0 - HG2 MET 121 - HE2 LYS 44 lone 0 39 - 0 - HB3 MET 42 - HE2 LYS 44 lone 0 36 - 0 - HB3 MET 42 - HE3 LYS 44 lone 0 36 - 0 - HG2 MET 121 - HE3 LYS 96 lone 0 39 - 0 - HG2 MET 121 - HE2 LYS 96 lone 0 39 - 0 - HB3 GLU 52 - HE2 LYS 44 lone 0 31 - 0 - HB3 GLU 52 - HE3 LYS 44 lone 0 31 - 0 - HB3 MET 42 - HE3 LYS 96 lone 0 36 - 0 - HB3 MET 42 - HE2 LYS 96 lone 0 36 - 0 - HB ILE 15 - HE3 LYS 44 lone 0 34 - 0 - HB ILE 15 - HE2 LYS 44 lone 0 34 - 0 - HB ILE 15 - HE3 LYS 96 lone 0 34 - 0 - HB ILE 15 - HE2 LYS 96 lone 0 34 - 0 - HB3 GLU 52 - HE2 LYS 96 lone 0 31 - 0 - HB3 GLU 52 - HE3 LYS 96 lone 0 31 - 0 - Peak 4867 from cnoeabs.peaks (1.55, 2.92, 41.78 ppm; 3.09 A): 2 out of 2 assignments used, quality = 0.98: HD3 LYS 94 + HE3 LYS 94 OK 87 87 - 100 - 3.0=100 HD2 LYS 94 + HE3 LYS 94 OK 87 87 - 100 - 3.0=100 Reference assignment not found: HG2 LYS 65 - HE2 LYS 65 Peak 4868 from cnoeabs.peaks (1.34, 2.92, 41.78 ppm; 3.49 A): 4 out of 44 assignments used, quality = 1.00: * HG3 LYS 65 + HE2 LYS 65 OK 96 100 - 96 - 3.7=84, 4840/3.0=10...(42) HG3 LYS 65 + HE3 LYS 65 OK 96 100 - 96 - 3.7=84, 4840/3.0=10...(42) HG3 LYS 65 + HE2 LYS 115 OK 46 93 - 49 - 4839/3.0=5, 4839/3.0=5...(21) HG3 LYS 65 + HE3 LYS 115 OK 46 93 - 49 - 4839/3.0=5, 4839/3.0=5...(21) HG LEU 81 - HE2 LYS 65 lone 9 100 - 9 - 4798/6.7=2, ~11637=1...(6) HG LEU 81 - HE3 LYS 65 lone 9 100 - 9 - 4798/6.7=2, ~11637=1...(6) HB3 LEU 81 - HE2 LYS 65 lone 7 87 - 8 - 4798/6.7=1 HB3 LEU 81 - HE3 LYS 65 lone 7 87 - 8 - 4798/6.7=1 HG3 LYS 65 - HE3 LYS 16 lone 5 96 - 6 - HG3 LYS 65 - HE2 LYS 16 lone 5 96 - 6 - HG3 LYS 65 - HE3 LYS 94 lone 4 100 - 3 - HG LEU 81 - HE3 LYS 115 lone 2 93 - 2 - HG LEU 81 - HE2 LYS 115 lone 2 93 - 2 - HB3 LEU 81 - HE3 LYS 115 lone 2 76 - 2 - HB3 LEU 81 - HE2 LYS 115 lone 2 76 - 2 - HG2 LYS 77 - HE3 LYS 65 lone 1 90 - 1 - HG2 LYS 77 - HE2 LYS 65 lone 1 90 - 1 - HG3 LYS 65 - HE3 LYS 96 lone 1 63 - 1 - HG3 LYS 65 - HE2 LYS 96 lone 1 63 - 1 - HG LEU 81 - HE2 LYS 16 lone 1 95 - 1 - HG LEU 81 - HE3 LYS 16 lone 1 95 - 1 - HG LEU 81 - HE3 LYS 94 lone 0 100 - 0 - HG3 LYS 65 - HE2 LYS 44 lone 1 63 - 1 - HG3 LYS 65 - HE3 LYS 44 lone 1 63 - 1 - HG2 LYS 77 - HE3 LYS 16 lone 0 82 - 1 - HG2 LYS 77 - HE2 LYS 16 lone 0 82 - 1 - HB3 LEU 81 - HE2 LYS 16 lone 0 79 - 1 - HB3 LEU 81 - HE3 LYS 16 lone 0 79 - 1 - HB3 LEU 81 - HE3 LYS 94 lone 0 87 - 1 - HG2 LYS 77 - HE3 LYS 94 lone 0 89 - 0 - HG2 LYS 77 - HE3 LYS 115 lone 0 79 - 0 - HG2 LYS 77 - HE2 LYS 115 lone 0 79 - 0 - HG LEU 81 - HE2 LYS 44 lone 0 62 - 0 - HG LEU 81 - HE3 LYS 44 lone 0 62 - 0 - HG LEU 81 - HE3 LYS 96 lone 0 62 - 0 - HG LEU 81 - HE2 LYS 96 lone 0 62 - 0 - HB3 LEU 81 - HE2 LYS 44 lone 0 48 - 0 - HB3 LEU 81 - HE3 LYS 44 lone 0 48 - 0 - HB3 LEU 81 - HE3 LYS 96 lone 0 48 - 0 - HB3 LEU 81 - HE2 LYS 96 lone 0 48 - 0 - HG2 LYS 77 - HE2 LYS 44 lone 0 50 - 0 - HG2 LYS 77 - HE3 LYS 44 lone 0 50 - 0 - HG2 LYS 77 - HE3 LYS 96 lone 0 50 - 0 - HG2 LYS 77 - HE2 LYS 96 lone 0 50 - 0 - Peak 4869 from cnoeabs.peaks (1.65, 2.92, 41.78 ppm; 2.46 A): 8 out of 132 assignments used, quality = 1.00: * HD2 LYS 65 + HE2 LYS 65 OK 75 100 - 75 - 3.0=57, 4839/3.7=4...(21) HD2 LYS 65 + HE3 LYS 65 OK 75 100 - 75 - 3.0=57, 4839/3.7=4...(21) HD3 LYS 65 + HE3 LYS 65 OK 75 100 - 75 - 3.0=57, 4839/3.7=4...(21) HD3 LYS 65 + HE2 LYS 65 OK 75 100 - 75 - 3.0=57, 4839/3.7=4...(21) HD2 LYS 115 + HE3 LYS 115 OK 67 93 - 72 - 3.0=58, 2.9/6774=3...(19) HD2 LYS 115 + HE2 LYS 115 OK 67 93 - 72 - 3.0=58, 2.9/6774=3...(19) HD3 LYS 115 + HE2 LYS 115 OK 65 91 - 72 - 3.0=58, 2.9/6784=3...(19) HD3 LYS 115 + HE3 LYS 115 OK 65 91 - 72 - 3.0=58, 2.9/6784=3...(19) HD2 LYS 65 - HE3 LYS 115 OK 22 93 - 24 - 3.0/4878=2, 4861=1, 3.0/4831=1 HD2 LYS 65 - HE2 LYS 115 OK 22 93 - 24 - 3.0/4878=2, 4861=1, 3.0/4831=1 HD3 LYS 65 - HE3 LYS 115 OK 22 92 - 24 - 3.0/4868=2, 4861=1, 3.0/4832=1 HD3 LYS 65 - HE2 LYS 115 OK 22 92 - 24 - 3.0/4868=2, 4861=1, 3.0/4832=1 HD2 LYS 115 - HE2 LYS 65 OK 16 100 - 17 - 4839/3.7=2, 2.9/6774=1 HD2 LYS 115 - HE3 LYS 65 OK 16 100 - 17 - 4839/3.7=2, 2.9/6774=1 HD3 LYS 115 - HE3 LYS 65 OK 16 99 - 17 - 4839/3.7=2, 2.9/6774=1 HD3 LYS 115 - HE2 LYS 65 OK 16 99 - 17 - 4839/3.7=2, 2.9/6774=1 HD2 LYS 115 - HE2 LYS 16 lone 3 95 - 3 - HD2 LYS 115 - HE3 LYS 16 lone 3 95 - 3 - HD3 LYS 115 - HE3 LYS 16 lone 3 93 - 3 - HD3 LYS 115 - HE2 LYS 16 lone 3 93 - 3 - HD2 LYS 65 - HE2 LYS 16 lone 3 96 - 3 - HD2 LYS 65 - HE3 LYS 16 lone 3 96 - 3 - HD3 LYS 65 - HE3 LYS 16 lone 3 95 - 3 - HD3 LYS 65 - HE2 LYS 16 lone 3 95 - 3 - HG LEU 114 - HE2 LYS 115 lone 2 92 - 3 - HG LEU 114 - HE3 LYS 115 lone 2 92 - 3 - HG LEU 90 - HE3 LYS 94 lone 2 77 - 3 - HD3 LYS 65 - HE3 LYS 94 lone 2 100 - 2 - HD2 LYS 65 - HE3 LYS 94 lone 2 100 - 2 - HG LEU 114 - HE2 LYS 65 lone 1 100 - 1 - HG LEU 114 - HE3 LYS 65 lone 1 100 - 1 - HD2 LYS 115 - HE3 LYS 94 lone 1 100 - 1 - HD3 LYS 115 - HE3 LYS 94 lone 1 99 - 1 - HG LEU 90 - HE2 LYS 65 lone 1 77 - 1 - HG LEU 90 - HE3 LYS 65 lone 1 77 - 1 - HG LEU 64 - HE2 LYS 65 lone 1 87 - 1 - HG LEU 64 - HE3 LYS 65 lone 1 87 - 1 - HG LEU 114 - HE3 LYS 94 lone 1 100 - 1 - HG LEU 114 - HE2 LYS 16 lone 1 95 - 1 - HG LEU 114 - HE3 LYS 16 lone 1 95 - 1 - HG LEU 64 - HE3 LYS 115 lone 0 76 - 1 - HG LEU 64 - HE2 LYS 115 lone 0 76 - 1 - HD3 LYS 49 - HE3 LYS 65 lone 0 100 - 0 - HD3 LYS 49 - HE2 LYS 65 lone 0 100 - 0 - HD2 LYS 49 - HE2 LYS 65 lone 0 100 - 0 - HD2 LYS 49 - HE3 LYS 65 lone 0 100 - 0 - HD2 LYS 65 - HE3 LYS 96 lone 0 63 - 1 - HD2 LYS 65 - HE2 LYS 96 lone 0 63 - 1 - HD3 LYS 65 - HE2 LYS 96 lone 0 62 - 1 - HD3 LYS 65 - HE3 LYS 96 lone 0 62 - 1 - HD3 LYS 49 - HE2 LYS 115 lone 0 93 - 0 - HD3 LYS 49 - HE3 LYS 115 lone 0 93 - 0 - HD2 LYS 49 - HE2 LYS 115 lone 0 93 - 0 - HD2 LYS 49 - HE3 LYS 115 lone 0 93 - 0 - HD3 LYS 49 - HE3 LYS 94 lone 0 100 - 0 - HD2 LYS 49 - HE3 LYS 94 lone 0 100 - 0 - HG LEU 64 - HE3 LYS 94 lone 0 87 - 0 - HD2 LYS 65 - HE2 LYS 44 lone 0 63 - 0 - HD2 LYS 65 - HE3 LYS 44 lone 0 63 - 0 - HD3 LYS 65 - HE3 LYS 44 lone 0 62 - 0 - HD3 LYS 65 - HE2 LYS 44 lone 0 62 - 0 - HB2 ARG 30 - HE2 LYS 65 lone 0 100 - 0 - HB2 ARG 30 - HE3 LYS 65 lone 0 100 - 0 - HB2 GLU 52 - HE3 LYS 94 lone 0 100 - 0 - HB2 GLU 52 - HE2 LYS 65 lone 0 100 - 0 - HB2 GLU 52 - HE3 LYS 65 lone 0 100 - 0 - HB2 ARG 30 - HE3 LYS 94 lone 0 100 - 0 - HD2 LYS 115 - HE2 LYS 96 lone 0 62 - 0 - HD2 LYS 115 - HE3 LYS 96 lone 0 62 - 0 - HB ILE 5 - HE3 LYS 65 lone 0 96 - 0 - HB ILE 5 - HE2 LYS 65 lone 0 96 - 0 - HD3 LYS 115 - HE3 LYS 96 lone 0 60 - 0 - HD3 LYS 115 - HE2 LYS 96 lone 0 60 - 0 - HG LEU 64 - HE2 LYS 16 lone 0 79 - 0 - HG LEU 64 - HE3 LYS 16 lone 0 79 - 0 - HG LEU 90 - HE2 LYS 115 lone 0 67 - 0 - HG LEU 90 - HE3 LYS 115 lone 0 67 - 0 - HB ILE 5 - HE2 LYS 115 lone 0 86 - 0 - HB ILE 5 - HE3 LYS 115 lone 0 86 - 0 - HB2 GLU 52 - HE2 LYS 115 lone 0 93 - 0 - HB2 GLU 52 - HE3 LYS 115 lone 0 93 - 0 - HD3 LYS 49 - HE3 LYS 16 lone 0 96 - 0 - HD2 LYS 49 - HE2 LYS 16 lone 0 96 - 0 - HD2 LYS 49 - HE3 LYS 16 lone 0 96 - 0 - HD3 LYS 49 - HE2 LYS 16 lone 0 96 - 0 - HB2 ARG 30 - HE2 LYS 115 lone 0 93 - 0 - HB2 ARG 30 - HE3 LYS 115 lone 0 93 - 0 - HB2 GLU 52 - HE2 LYS 16 lone 0 95 - 0 - HB2 GLU 52 - HE3 LYS 16 lone 0 95 - 0 - HB ILE 5 - HE3 LYS 94 lone 0 95 - 0 - HG LEU 90 - HE2 LYS 16 lone 0 70 - 0 - HG LEU 90 - HE3 LYS 16 lone 0 70 - 0 - HB2 ARG 30 - HE3 LYS 16 lone 0 96 - 0 - HB2 ARG 30 - HE2 LYS 16 lone 0 96 - 0 - HD2 LYS 115 - HE2 LYS 44 lone 0 62 - 0 - HD2 LYS 115 - HE3 LYS 44 lone 0 62 - 0 - HB2 ARG 30 - HE3 LYS 96 lone 0 63 - 0 - HB2 ARG 30 - HE2 LYS 96 lone 0 63 - 0 - HD3 LYS 115 - HE3 LYS 44 lone 0 60 - 0 - HD3 LYS 115 - HE2 LYS 44 lone 0 60 - 0 - HB ILE 5 - HE2 LYS 16 lone 0 89 - 0 - HB ILE 5 - HE3 LYS 16 lone 0 89 - 0 - HD3 LYS 49 - HE2 LYS 96 lone 0 63 - 0 - HD3 LYS 49 - HE3 LYS 96 lone 0 63 - 0 - HD2 LYS 49 - HE3 LYS 96 lone 0 63 - 0 - HD2 LYS 49 - HE2 LYS 96 lone 0 63 - 0 - HB2 ARG 30 - HE2 LYS 44 lone 0 63 - 0 - HB2 ARG 30 - HE3 LYS 44 lone 0 63 - 0 - HD2 LYS 49 - HE3 LYS 44 lone 0 63 - 0 - HD2 LYS 49 - HE2 LYS 44 lone 0 63 - 0 - HD3 LYS 49 - HE3 LYS 44 lone 0 63 - 0 - HD3 LYS 49 - HE2 LYS 44 lone 0 63 - 0 - HB2 GLU 52 - HE3 LYS 44 lone 0 62 - 0 - HB2 GLU 52 - HE2 LYS 44 lone 0 62 - 0 - HB2 GLU 52 - HE3 LYS 96 lone 0 62 - 0 - HB2 GLU 52 - HE2 LYS 96 lone 0 62 - 0 - HG LEU 114 - HE2 LYS 96 lone 0 62 - 0 - HG LEU 114 - HE3 LYS 96 lone 0 62 - 0 - HG LEU 114 - HE2 LYS 44 lone 0 62 - 0 - HG LEU 114 - HE3 LYS 44 lone 0 62 - 0 - HB ILE 5 - HE2 LYS 96 lone 0 56 - 0 - HB ILE 5 - HE3 LYS 96 lone 0 56 - 0 - HB ILE 5 - HE3 LYS 44 lone 0 56 - 0 - HB ILE 5 - HE2 LYS 44 lone 0 56 - 0 - HG LEU 90 - HE2 LYS 96 lone 0 41 - 0 - HG LEU 90 - HE3 LYS 96 lone 0 41 - 0 - HG LEU 90 - HE2 LYS 44 lone 0 41 - 0 - HG LEU 90 - HE3 LYS 44 lone 0 41 - 0 - HG LEU 64 - HE2 LYS 96 lone 0 48 - 0 - HG LEU 64 - HE3 LYS 96 lone 0 48 - 0 - HG LEU 64 - HE3 LYS 44 lone 0 48 - 0 - HG LEU 64 - HE2 LYS 44 lone 0 48 - 0 - Peak 4870 from cnoeabs.peaks (1.65, 2.92, 41.78 ppm; 2.46 A): 8 out of 132 assignments used, quality = 1.00: * HD3 LYS 65 + HE2 LYS 65 OK 75 100 - 75 - 3.0=57, 4840/3.7=4...(21) HD3 LYS 65 + HE3 LYS 65 OK 75 100 - 75 - 3.0=57, 4840/3.7=4...(21) HD2 LYS 65 + HE3 LYS 65 OK 75 100 - 75 - 3.0=57, 4840/3.7=4...(21) HD2 LYS 65 + HE2 LYS 65 OK 75 100 - 75 - 3.0=57, 4840/3.7=4...(21) HD2 LYS 115 + HE3 LYS 115 OK 65 91 - 72 - 3.0=58, 2.9/6784=3...(19) HD2 LYS 115 + HE2 LYS 115 OK 65 91 - 72 - 3.0=58, 2.9/6784=3...(19) HD3 LYS 115 + HE2 LYS 115 OK 62 86 - 72 - 3.0=58, 2.9/6784=3...(19) HD3 LYS 115 + HE3 LYS 115 OK 62 86 - 72 - 3.0=58, 2.9/6784=3...(19) HD3 LYS 65 - HE3 LYS 115 OK 22 93 - 24 - 3.0/4878=2, 4861=1, 3.0/4831=1 HD3 LYS 65 - HE2 LYS 115 OK 22 93 - 24 - 3.0/4878=2, 4861=1, 3.0/4831=1 HD2 LYS 65 - HE3 LYS 115 OK 22 92 - 24 - 3.0/4868=2, 4861=1, 3.0/4831=1 HD2 LYS 65 - HE2 LYS 115 OK 22 92 - 24 - 3.0/4868=2, 4861=1, 3.0/4831=1 HD2 LYS 115 - HE3 LYS 65 OK 16 99 - 17 - 4839/3.7=2, 2.9/6774=1 HD2 LYS 115 - HE2 LYS 65 OK 16 99 - 17 - 4839/3.7=2, 2.9/6774=1 HD3 LYS 115 - HE2 LYS 65 OK 15 96 - 16 - 4839/3.7=2, 2.9/6774=1 HD3 LYS 115 - HE3 LYS 65 OK 15 96 - 16 - 4839/3.7=2, 2.9/6774=1 HG LEU 90 - HE3 LYS 94 lone 3 87 - 3 - HD2 LYS 115 - HE3 LYS 16 lone 3 93 - 3 - HD2 LYS 115 - HE2 LYS 16 lone 3 93 - 3 - HD3 LYS 65 - HE2 LYS 16 lone 3 96 - 3 - HD3 LYS 65 - HE3 LYS 16 lone 3 96 - 3 - HD3 LYS 115 - HE3 LYS 16 lone 3 89 - 3 - HD3 LYS 115 - HE2 LYS 16 lone 3 89 - 3 - HD2 LYS 65 - HE2 LYS 16 lone 3 95 - 3 - HD2 LYS 65 - HE3 LYS 16 lone 3 95 - 3 - HG LEU 114 - HE2 LYS 115 lone 2 93 - 3 - HG LEU 114 - HE3 LYS 115 lone 2 93 - 3 - HD3 LYS 65 - HE3 LYS 94 lone 2 100 - 2 - HD2 LYS 65 - HE3 LYS 94 lone 2 100 - 2 - HG LEU 114 - HE2 LYS 65 lone 1 100 - 1 - HG LEU 114 - HE3 LYS 65 lone 1 100 - 1 - HG LEU 90 - HE3 LYS 65 lone 1 87 - 1 - HG LEU 90 - HE2 LYS 65 lone 1 87 - 1 - HD2 LYS 115 - HE3 LYS 94 lone 1 99 - 1 - HD3 LYS 115 - HE3 LYS 94 lone 1 95 - 1 - HG LEU 64 - HE2 LYS 65 lone 1 94 - 1 - HG LEU 64 - HE3 LYS 65 lone 1 94 - 1 - HG LEU 114 - HE3 LYS 94 lone 1 100 - 1 - HG LEU 114 - HE2 LYS 16 lone 1 96 - 1 - HG LEU 114 - HE3 LYS 16 lone 1 96 - 1 - HG LEU 64 - HE3 LYS 115 lone 0 84 - 1 - HG LEU 64 - HE2 LYS 115 lone 0 84 - 1 - HD2 LYS 49 - HE3 LYS 65 lone 0 100 - 0 - HD3 LYS 49 - HE2 LYS 65 lone 0 100 - 0 - HD3 LYS 49 - HE3 LYS 65 lone 0 100 - 0 - HD2 LYS 49 - HE2 LYS 65 lone 0 100 - 0 - HD3 LYS 65 - HE2 LYS 96 lone 0 63 - 1 - HD3 LYS 65 - HE3 LYS 96 lone 0 63 - 1 - HD2 LYS 65 - HE3 LYS 96 lone 0 62 - 1 - HD2 LYS 65 - HE2 LYS 96 lone 0 62 - 1 - HG LEU 64 - HE3 LYS 94 lone 0 94 - 0 - HD2 LYS 49 - HE2 LYS 115 lone 0 93 - 0 - HD2 LYS 49 - HE3 LYS 115 lone 0 93 - 0 - HD3 LYS 49 - HE3 LYS 115 lone 0 93 - 0 - HD3 LYS 49 - HE2 LYS 115 lone 0 93 - 0 - HD3 LYS 49 - HE3 LYS 94 lone 0 100 - 0 - HD2 LYS 49 - HE3 LYS 94 lone 0 100 - 0 - HD3 LYS 65 - HE2 LYS 44 lone 0 63 - 0 - HD3 LYS 65 - HE3 LYS 44 lone 0 63 - 0 - HD2 LYS 65 - HE2 LYS 44 lone 0 62 - 0 - HD2 LYS 65 - HE3 LYS 44 lone 0 62 - 0 - HB ILE 5 - HE2 LYS 65 lone 0 99 - 0 - HB ILE 5 - HE3 LYS 65 lone 0 99 - 0 - HB2 ARG 30 - HE2 LYS 65 lone 0 100 - 0 - HB2 ARG 30 - HE3 LYS 65 lone 0 100 - 0 - HB2 GLU 52 - HE3 LYS 94 lone 0 99 - 0 - HG LEU 90 - HE2 LYS 115 lone 0 76 - 0 - HG LEU 90 - HE3 LYS 115 lone 0 76 - 0 - HB2 GLU 52 - HE3 LYS 65 lone 0 99 - 0 - HB2 GLU 52 - HE2 LYS 65 lone 0 99 - 0 - HB2 ARG 30 - HE3 LYS 94 lone 0 100 - 0 - HG LEU 64 - HE3 LYS 16 lone 0 87 - 0 - HG LEU 64 - HE2 LYS 16 lone 0 87 - 0 - HD2 LYS 115 - HE3 LYS 96 lone 0 60 - 0 - HD2 LYS 115 - HE2 LYS 96 lone 0 60 - 0 - HB ILE 5 - HE2 LYS 115 lone 0 91 - 0 - HB ILE 5 - HE3 LYS 115 lone 0 91 - 0 - HD3 LYS 115 - HE2 LYS 96 lone 0 56 - 0 - HD3 LYS 115 - HE3 LYS 96 lone 0 56 - 0 - HG LEU 90 - HE3 LYS 16 lone 0 79 - 0 - HG LEU 90 - HE2 LYS 16 lone 0 79 - 0 - HB2 GLU 52 - HE2 LYS 115 lone 0 91 - 0 - HB2 GLU 52 - HE3 LYS 115 lone 0 91 - 0 - HD2 LYS 49 - HE2 LYS 16 lone 0 95 - 0 - HD2 LYS 49 - HE3 LYS 16 lone 0 95 - 0 - HD3 LYS 49 - HE2 LYS 16 lone 0 95 - 0 - HD3 LYS 49 - HE3 LYS 16 lone 0 95 - 0 - HB ILE 5 - HE3 LYS 94 lone 0 99 - 0 - HB2 ARG 30 - HE2 LYS 115 lone 0 92 - 0 - HB2 ARG 30 - HE3 LYS 115 lone 0 92 - 0 - HB2 GLU 52 - HE2 LYS 16 lone 0 93 - 0 - HB2 GLU 52 - HE3 LYS 16 lone 0 93 - 0 - HB2 ARG 30 - HE3 LYS 16 lone 0 95 - 0 - HB2 ARG 30 - HE2 LYS 16 lone 0 95 - 0 - HB ILE 5 - HE3 LYS 16 lone 0 93 - 0 - HB ILE 5 - HE2 LYS 16 lone 0 93 - 0 - HB2 ARG 30 - HE3 LYS 96 lone 0 62 - 0 - HB2 ARG 30 - HE2 LYS 96 lone 0 62 - 0 - HD2 LYS 115 - HE3 LYS 44 lone 0 60 - 0 - HD2 LYS 115 - HE2 LYS 44 lone 0 60 - 0 - HD3 LYS 49 - HE3 LYS 96 lone 0 62 - 0 - HD3 LYS 49 - HE2 LYS 96 lone 0 62 - 0 - HD2 LYS 49 - HE2 LYS 96 lone 0 62 - 0 - HD2 LYS 49 - HE3 LYS 96 lone 0 62 - 0 - HB2 ARG 30 - HE2 LYS 44 lone 0 62 - 0 - HB2 ARG 30 - HE3 LYS 44 lone 0 62 - 0 - HD3 LYS 115 - HE3 LYS 44 lone 0 56 - 0 - HD3 LYS 115 - HE2 LYS 44 lone 0 56 - 0 - HD3 LYS 49 - HE2 LYS 44 lone 0 62 - 0 - HD2 LYS 49 - HE3 LYS 44 lone 0 62 - 0 - HD2 LYS 49 - HE2 LYS 44 lone 0 62 - 0 - HD3 LYS 49 - HE3 LYS 44 lone 0 62 - 0 - HB2 GLU 52 - HE3 LYS 44 lone 0 60 - 0 - HB2 GLU 52 - HE2 LYS 44 lone 0 60 - 0 - HB2 GLU 52 - HE2 LYS 96 lone 0 60 - 0 - HB2 GLU 52 - HE3 LYS 96 lone 0 60 - 0 - HG LEU 114 - HE2 LYS 96 lone 0 63 - 0 - HG LEU 114 - HE3 LYS 96 lone 0 63 - 0 - HG LEU 114 - HE3 LYS 44 lone 0 63 - 0 - HG LEU 114 - HE2 LYS 44 lone 0 63 - 0 - HG LEU 90 - HE2 LYS 96 lone 0 48 - 0 - HG LEU 90 - HE3 LYS 96 lone 0 48 - 0 - HG LEU 90 - HE3 LYS 44 lone 0 48 - 0 - HG LEU 90 - HE2 LYS 44 lone 0 48 - 0 - HB ILE 5 - HE2 LYS 96 lone 0 60 - 0 - HB ILE 5 - HE3 LYS 96 lone 0 60 - 0 - HB ILE 5 - HE2 LYS 44 lone 0 60 - 0 - HB ILE 5 - HE3 LYS 44 lone 0 60 - 0 - HG LEU 64 - HE3 LYS 96 lone 0 54 - 0 - HG LEU 64 - HE2 LYS 96 lone 0 54 - 0 - HG LEU 64 - HE3 LYS 44 lone 0 54 - 0 - HG LEU 64 - HE2 LYS 44 lone 0 54 - 0 - Peak 4871 from cnoeabs.peaks (2.92, 2.92, 41.78 ppm; diagonal): 7 out of 11 assignments used, quality = 1.00: * HE2 LYS 65 + HE2 LYS 65 OK 100 100 - 100 HE3 LYS 65 + HE3 LYS 65 OK 100 100 - 100 HE3 LYS 94 + HE3 LYS 94 OK 100 100 - 100 HE2 LYS 16 + HE2 LYS 16 OK 92 92 - 100 HE3 LYS 16 + HE3 LYS 16 OK 92 92 - 100 HE2 LYS 115 + HE2 LYS 115 OK 88 88 - 100 HE3 LYS 115 + HE3 LYS 115 OK 88 88 - 100 HE3 LYS 96 - HE3 LYS 96 OK 44 44 - 100 HE3 LYS 44 - HE3 LYS 44 OK 44 44 - 100 HE2 LYS 44 - HE2 LYS 44 OK 44 44 - 100 HE2 LYS 96 - HE2 LYS 96 OK 44 44 - 100 Peak 4872 from cnoeabs.peaks (2.92, 2.92, 41.78 ppm; diagonal): 7 out of 11 assignments used, quality = 1.00: HE2 LYS 65 + HE2 LYS 65 OK 100 100 - 100 HE3 LYS 65 + HE3 LYS 65 OK 100 100 - 100 HE3 LYS 94 + HE3 LYS 94 OK 100 100 - 100 HE2 LYS 16 + HE2 LYS 16 OK 92 92 - 100 HE3 LYS 16 + HE3 LYS 16 OK 92 92 - 100 HE2 LYS 115 + HE2 LYS 115 OK 88 88 - 100 HE3 LYS 115 + HE3 LYS 115 OK 88 88 - 100 HE3 LYS 96 - HE3 LYS 96 OK 44 44 - 100 HE3 LYS 44 - HE3 LYS 44 OK 44 44 - 100 HE2 LYS 44 - HE2 LYS 44 OK 44 44 - 100 HE2 LYS 96 - HE2 LYS 96 OK 44 44 - 100 Reference assignment not found: HE3 LYS 65 - HE2 LYS 65 Peak 4875 from cnoeabs.peaks (1.93, 2.92, 41.78 ppm; 3.33 A): 12 out of 220 assignments used, quality = 1.00: * HB2 LYS 65 + HE3 LYS 65 OK 82 100 - 82 - 4.8=34, 2.9/4868=7...(74) HB2 LYS 65 + HE2 LYS 65 OK 82 100 - 82 - 4.8=34, 2.9/4868=7...(74) HB3 LYS 65 + HE3 LYS 65 OK 82 100 - 82 - 4.8=34, 2.9/4868=7...(74) HB3 LYS 65 + HE2 LYS 65 OK 82 100 - 82 - 4.8=34, 2.9/4868=7...(74) HB3 LYS 115 + HE3 LYS 115 OK 70 93 - 75 - 4.8=33, 3.0/6784=7...(51) HB3 LYS 115 + HE2 LYS 115 OK 70 93 - 75 - 4.8=33, 3.0/6784=7...(51) HB2 LYS 115 + HE2 LYS 115 OK 67 89 - 75 - 4.8=33, 3.0/6774=7...(55) HB2 LYS 115 + HE3 LYS 115 OK 67 89 - 75 - 4.8=33, 3.0/6774=7...(55) HB2 LYS 65 + HE2 LYS 115 OK 47 93 - 51 - 2.9/4878=3, 2.9/4831=2...(20) HB2 LYS 65 + HE3 LYS 115 OK 47 93 - 51 - 2.9/4878=3, 2.9/4831=2...(20) HB3 LYS 65 + HE2 LYS 115 OK 47 93 - 51 - 2.9/4878=3, 2.9/4832=2...(20) HB3 LYS 65 + HE3 LYS 115 OK 47 93 - 51 - 2.9/4878=3, 2.9/4832=2...(20) HB3 LYS 115 - HE2 LYS 65 OK 38 100 - 38 - 3.0/6774=2, ~6784=2...(12) HB3 LYS 115 - HE3 LYS 65 OK 38 100 - 38 - 3.0/6774=2, ~6784=2...(12) HB2 LYS 115 - HE3 LYS 65 OK 38 98 - 39 - 3.0/6774=2, ~6784=2...(12) HB2 LYS 115 - HE2 LYS 65 OK 38 98 - 39 - 3.0/6774=2, ~6784=2...(12) HB3 LYS 40 - HE2 LYS 16 OK 32 82 - 39 - 2.7/6009=3, ~2892=3...(19) HB3 LYS 40 - HE3 LYS 16 OK 32 82 - 39 - 2.7/6009=3, ~2892=3...(19) HB VAL 104 - HE3 LYS 94 poor 10 87 - 12 - 2.1/10234=6, 2.1/11307=2...(4) HB VAL 104 - HE3 LYS 115 poor 9 76 - 12 - 10225/3.7=4, 2.1/10234=3...(4) HB VAL 104 - HE2 LYS 115 poor 9 76 - 12 - 10225/3.7=4, 2.1/10234=3...(4) HB2 LYS 39 - HE3 LYS 44 poor 7 63 - 11 - HB2 LYS 39 - HE2 LYS 44 poor 7 63 - 11 - HB2 LEU 70 - HE3 LYS 94 lone 7 95 - 7 - 3.1/11307=2, 3.1/11307=2 HB3 LYS 115 - HE3 LYS 16 lone 7 96 - 7 - HB3 LYS 115 - HE2 LYS 16 lone 7 96 - 7 - HB2 LYS 115 - HE2 LYS 16 lone 6 92 - 7 - HB2 LYS 115 - HE3 LYS 16 lone 6 92 - 7 - HB3 LYS 65 - HE3 LYS 16 lone 6 96 - 6 - HB3 LYS 65 - HE2 LYS 16 lone 6 96 - 6 - HB2 LYS 65 - HE3 LYS 16 lone 6 96 - 6 - HB2 LYS 65 - HE2 LYS 16 lone 6 96 - 6 - HB3 LYS 40 - HE3 LYS 96 poor 5 50 - 11 - 8046/6.3=2, 3668/7.5=1 HB3 LYS 40 - HE2 LYS 96 poor 5 50 - 11 - 8046/6.3=2, 3668/7.5=1 HB2 LYS 65 - HE3 LYS 94 lone 5 100 - 5 - HB3 LYS 65 - HE3 LYS 94 lone 5 100 - 5 - HB2 LYS 123 - HE2 LYS 44 lone 5 63 - 8 - HB2 LYS 123 - HE3 LYS 44 lone 5 63 - 8 - HB3 LYS 39 - HE3 LYS 44 poor 5 44 - 11 - HB3 LYS 39 - HE2 LYS 44 poor 5 44 - 11 - HB2 LEU 81 - HE3 LYS 65 lone 4 77 - 6 - HB2 LEU 81 - HE2 LYS 65 lone 4 77 - 6 - HB3 LYS 17 - HE2 LYS 16 lone 4 79 - 6 - ~2816=1 HB3 LYS 17 - HE3 LYS 16 lone 4 79 - 6 - ~2816=1 HB2 LYS 39 - HE3 LYS 16 lone 4 96 - 4 - HB2 LYS 39 - HE2 LYS 16 lone 4 96 - 4 - HB3 LYS 39 - HE2 LYS 16 lone 3 73 - 5 - HB3 LYS 39 - HE3 LYS 16 lone 3 73 - 5 - HB VAL 104 - HE3 LYS 65 lone 3 87 - 3 - 2.1/10234=1 HB VAL 104 - HE2 LYS 65 lone 3 87 - 3 - 2.1/10234=1 HB2 LYS 123 - HE3 LYS 16 lone 3 96 - 3 - HB2 LYS 123 - HE2 LYS 16 lone 3 96 - 3 - HB2 LYS 123 - HE3 LYS 94 lone 3 100 - 3 - HB3 LYS 115 - HE3 LYS 94 lone 3 100 - 2 - HB2 LYS 123 - HE2 LYS 65 lone 3 100 - 3 - HB2 LYS 123 - HE3 LYS 65 lone 3 100 - 3 - HB2 LYS 39 - HE2 LYS 96 lone 2 63 - 4 - HB2 LYS 39 - HE3 LYS 96 lone 2 63 - 4 - HB2 LYS 123 - HE2 LYS 115 lone 2 93 - 2 - HB2 LYS 123 - HE3 LYS 115 lone 2 93 - 2 - HB2 LYS 115 - HE3 LYS 94 lone 2 98 - 2 - HB2 LYS 123 - HE2 LYS 96 lone 2 63 - 3 - HB2 LYS 123 - HE3 LYS 96 lone 2 63 - 3 - HB2 LEU 81 - HE2 LYS 115 lone 2 67 - 2 - HB2 LEU 81 - HE3 LYS 115 lone 2 67 - 2 - HB3 GLU 41 - HE3 LYS 44 lone 2 41 - 4 - ~10937=1, ~9396=1 HB3 GLU 41 - HE2 LYS 44 lone 2 41 - 4 - ~10937=1, ~9396=1 HB2 GLU 41 - HE3 LYS 44 lone 2 39 - 4 - ~10937=1, ~9396=1 HB2 GLU 41 - HE2 LYS 44 lone 2 39 - 4 - ~10937=1, ~9396=1 HB3 LYS 39 - HE3 LYS 96 lone 2 44 - 4 - HB3 LYS 39 - HE2 LYS 96 lone 2 44 - 4 - HB3 LYS 17 - HE2 LYS 115 lone 2 76 - 2 - HB3 LYS 17 - HE3 LYS 115 lone 2 76 - 2 - HB2 LYS 39 - HE3 LYS 94 lone 1 100 - 1 - HB2 LEU 70 - HE3 LYS 65 lone 1 96 - 1 - HB2 LEU 70 - HE2 LYS 65 lone 1 96 - 1 - HB3 LYS 40 - HE2 LYS 115 lone 1 79 - 2 - HB3 LYS 40 - HE3 LYS 115 lone 1 79 - 2 - HB3 LYS 40 - HE3 LYS 44 lone 1 50 - 3 - HB3 LYS 40 - HE2 LYS 44 lone 1 50 - 3 - HB VAL 29 - HE3 LYS 94 lone 1 61 - 2 - HB3 LYS 40 - HE3 LYS 94 lone 1 89 - 1 - HB3 LYS 39 - HE3 LYS 94 lone 1 80 - 1 - HB3 LYS 40 - HE3 LYS 65 lone 1 90 - 1 - HB3 LYS 40 - HE2 LYS 65 lone 1 90 - 1 - HB3 MET 42 - HE3 LYS 94 lone 1 73 - 1 - HB2 LYS 39 - HE2 LYS 65 lone 1 100 - 1 - HB2 LYS 39 - HE3 LYS 65 lone 1 100 - 1 - HB2 LYS 39 - HE2 LYS 115 lone 1 93 - 1 - HB2 LYS 39 - HE3 LYS 115 lone 1 93 - 1 - HB2 LEU 70 - HE2 LYS 115 lone 1 86 - 1 - HB2 LEU 70 - HE3 LYS 115 lone 1 86 - 1 - HB3 MET 42 - HE2 LYS 16 lone 1 66 - 1 - HB3 MET 42 - HE3 LYS 16 lone 1 66 - 1 - HB3 LYS 39 - HE3 LYS 65 lone 1 81 - 1 - HB3 LYS 39 - HE2 LYS 65 lone 1 81 - 1 - HB ILE 15 - HE3 LYS 16 lone 1 55 - 2 - 77/7.4=1 HB ILE 15 - HE2 LYS 16 lone 1 55 - 2 - 77/7.4=1 HB2 LEU 81 - HE3 LYS 94 lone 1 77 - 1 - HB VAL 104 - HE3 LYS 96 lone 1 48 - 2 - HB VAL 104 - HE2 LYS 96 lone 1 48 - 2 - HB3 GLU 41 - HE2 LYS 16 lone 1 70 - 1 - HB3 GLU 41 - HE3 LYS 16 lone 1 70 - 1 - HB2 LYS 65 - HE2 LYS 96 lone 1 63 - 1 - HB2 LYS 65 - HE3 LYS 96 lone 1 63 - 1 - HB3 LYS 39 - HE3 LYS 115 lone 1 70 - 1 - HB3 LYS 39 - HE2 LYS 115 lone 1 70 - 1 - HB3 LYS 65 - HE3 LYS 96 lone 1 63 - 1 - HB3 LYS 65 - HE2 LYS 96 lone 1 63 - 1 - HB VAL 104 - HE3 LYS 16 lone 1 79 - 1 - HB VAL 104 - HE2 LYS 16 lone 1 79 - 1 - HB2 GLU 41 - HE3 LYS 16 lone 1 66 - 1 - HB2 GLU 41 - HE2 LYS 16 lone 1 66 - 1 - HB2 LEU 70 - HE3 LYS 96 lone 1 56 - 1 - HB2 LEU 70 - HE2 LYS 96 lone 1 56 - 1 - HB3 LYS 65 - HE2 LYS 44 lone 1 63 - 1 - HB3 LYS 65 - HE3 LYS 44 lone 1 63 - 1 - HB2 LYS 65 - HE3 LYS 44 lone 1 63 - 1 - HB2 LYS 65 - HE2 LYS 44 lone 1 63 - 1 - HB3 LYS 115 - HE3 LYS 96 lone 1 63 - 1 - HB3 LYS 115 - HE2 LYS 96 lone 1 63 - 1 - HB2 LEU 70 - HE3 LYS 16 lone 1 89 - 1 - HB2 LEU 70 - HE2 LYS 16 lone 1 89 - 1 - HB2 LYS 115 - HE3 LYS 96 lone 1 59 - 1 - HB2 LYS 115 - HE2 LYS 96 lone 1 59 - 1 - HB2 LEU 70 - HE2 LYS 44 lone 0 56 - 1 - HB2 LEU 70 - HE3 LYS 44 lone 0 56 - 1 - HB3 LYS 115 - HE2 LYS 44 lone 0 63 - 1 - HB3 LYS 115 - HE3 LYS 44 lone 0 63 - 1 - HB2 LEU 127 - HE2 LYS 65 lone 0 100 - 0 - HB2 LEU 127 - HE3 LYS 65 lone 0 100 - 0 - HB3 LYS 17 - HE3 LYS 94 lone 0 87 - 1 - HB VAL 104 - HE2 LYS 44 lone 0 48 - 1 - HB VAL 104 - HE3 LYS 44 lone 0 48 - 1 - HB2 LYS 115 - HE2 LYS 44 lone 0 59 - 1 - HB2 LYS 115 - HE3 LYS 44 lone 0 59 - 1 - HB2 LEU 127 - HE3 LYS 94 lone 0 100 - 0 - HB2 LEU 127 - HE3 LYS 16 lone 0 96 - 0 - HB2 LEU 127 - HE2 LYS 16 lone 0 96 - 0 - HB2 LEU 81 - HE2 LYS 16 lone 0 70 - 1 - HB2 LEU 81 - HE3 LYS 16 lone 0 70 - 1 - HB VAL 29 - HE3 LYS 115 lone 0 52 - 1 - HB VAL 29 - HE2 LYS 115 lone 0 52 - 1 - HB3 LYS 17 - HE3 LYS 65 lone 0 87 - 0 - HB3 LYS 17 - HE2 LYS 65 lone 0 87 - 0 - HB2 LEU 127 - HE2 LYS 115 lone 0 93 - 0 - HB2 LEU 127 - HE3 LYS 115 lone 0 93 - 0 - HB3 LYS 17 - HE2 LYS 96 lone 0 48 - 1 - HB3 LYS 17 - HE3 LYS 96 lone 0 48 - 1 - HB3 GLU 41 - HE2 LYS 96 lone 0 41 - 1 - HB3 GLU 41 - HE3 LYS 96 lone 0 41 - 1 - HB3 GLU 52 - HE3 LYS 94 lone 0 65 - 0 - HB VAL 29 - HE3 LYS 16 lone 0 55 - 1 - HB VAL 29 - HE2 LYS 16 lone 0 55 - 1 - HB2 GLU 41 - HE3 LYS 96 lone 0 39 - 1 - HB2 GLU 41 - HE2 LYS 96 lone 0 39 - 1 - HB3 GLU 41 - HE3 LYS 94 lone 0 77 - 0 - HB3 GLU 41 - HE3 LYS 65 lone 0 77 - 0 - HB3 GLU 41 - HE2 LYS 65 lone 0 77 - 0 - HG2 MET 121 - HE2 LYS 65 lone 0 70 - 0 - HG2 MET 121 - HE3 LYS 65 lone 0 70 - 0 - HB VAL 29 - HE2 LYS 65 lone 0 61 - 0 - HB VAL 29 - HE3 LYS 65 lone 0 61 - 0 - HB2 GLU 41 - HE3 LYS 94 lone 0 73 - 0 - HB2 GLU 41 - HE2 LYS 65 lone 0 73 - 0 - HB2 GLU 41 - HE3 LYS 65 lone 0 73 - 0 - HB3 MET 42 - HE2 LYS 65 lone 0 73 - 0 - HB3 MET 42 - HE3 LYS 65 lone 0 73 - 0 - HB3 GLU 41 - HE2 LYS 115 lone 0 67 - 0 - HB3 GLU 41 - HE3 LYS 115 lone 0 67 - 0 - HB ILE 15 - HE2 LYS 115 lone 0 52 - 1 - HB ILE 15 - HE3 LYS 115 lone 0 52 - 1 - HG2 MET 121 - HE3 LYS 94 lone 0 69 - 0 - HG2 MET 121 - HE3 LYS 115 lone 0 60 - 0 - HG2 MET 121 - HE2 LYS 115 lone 0 60 - 0 - HB3 GLU 52 - HE2 LYS 65 lone 0 65 - 0 - HB3 GLU 52 - HE3 LYS 65 lone 0 65 - 0 - HG2 MET 121 - HE2 LYS 16 lone 0 62 - 0 - HG2 MET 121 - HE3 LYS 16 lone 0 62 - 0 - HB2 GLU 41 - HE2 LYS 115 lone 0 63 - 0 - HB2 GLU 41 - HE3 LYS 115 lone 0 63 - 0 - HB3 MET 42 - HE3 LYS 115 lone 0 63 - 0 - HB3 MET 42 - HE2 LYS 115 lone 0 63 - 0 - HB2 LEU 127 - HE3 LYS 96 lone 0 63 - 0 - HB2 LEU 127 - HE2 LYS 96 lone 0 63 - 0 - HB ILE 15 - HE3 LYS 94 lone 0 61 - 0 - HB ILE 15 - HE2 LYS 65 lone 0 61 - 0 - HB ILE 15 - HE3 LYS 65 lone 0 61 - 0 - HB3 GLU 52 - HE3 LYS 16 lone 0 58 - 0 - HB3 GLU 52 - HE2 LYS 16 lone 0 58 - 0 - HB3 GLU 52 - HE2 LYS 115 lone 0 56 - 0 - HB3 GLU 52 - HE3 LYS 115 lone 0 56 - 0 - HB3 LYS 17 - HE3 LYS 44 lone 0 48 - 0 - HB3 LYS 17 - HE2 LYS 44 lone 0 48 - 0 - HB2 LEU 127 - HE3 LYS 44 lone 0 63 - 0 - HB2 LEU 127 - HE2 LYS 44 lone 0 63 - 0 - HB2 LEU 81 - HE2 LYS 44 lone 0 41 - 0 - HB2 LEU 81 - HE3 LYS 44 lone 0 41 - 0 - HB2 LEU 81 - HE3 LYS 96 lone 0 41 - 0 - HB2 LEU 81 - HE2 LYS 96 lone 0 41 - 0 - HB3 MET 42 - HE3 LYS 44 lone 0 39 - 0 - HB3 MET 42 - HE2 LYS 44 lone 0 39 - 0 - HB VAL 29 - HE2 LYS 96 lone 0 31 - 0 - HB VAL 29 - HE3 LYS 96 lone 0 31 - 0 - HG2 MET 121 - HE2 LYS 44 lone 0 36 - 0 - HG2 MET 121 - HE3 LYS 44 lone 0 36 - 0 - HB3 GLU 52 - HE3 LYS 44 lone 0 34 - 0 - HB3 GLU 52 - HE2 LYS 44 lone 0 34 - 0 - HG2 MET 121 - HE2 LYS 96 lone 0 36 - 0 - HG2 MET 121 - HE3 LYS 96 lone 0 36 - 0 - HB VAL 29 - HE2 LYS 44 lone 0 31 - 0 - HB VAL 29 - HE3 LYS 44 lone 0 31 - 0 - HB3 MET 42 - HE3 LYS 96 lone 0 39 - 0 - HB3 MET 42 - HE2 LYS 96 lone 0 39 - 0 - HB3 GLU 52 - HE3 LYS 96 lone 0 34 - 0 - HB3 GLU 52 - HE2 LYS 96 lone 0 34 - 0 - HB ILE 15 - HE3 LYS 44 lone 0 31 - 0 - HB ILE 15 - HE2 LYS 44 lone 0 31 - 0 - HB ILE 15 - HE3 LYS 96 lone 0 31 - 0 - HB ILE 15 - HE2 LYS 96 lone 0 31 - 0 - Peak 4876 from cnoeabs.peaks (1.93, 2.92, 41.78 ppm; 3.33 A): 12 out of 220 assignments used, quality = 1.00: HB2 LYS 65 + HE2 LYS 65 OK 82 100 - 82 - 4.8=34, 2.9/4878=7...(74) HB2 LYS 65 + HE3 LYS 65 OK 82 100 - 82 - 4.8=34, 2.9/4878=7...(74) * HB3 LYS 65 + HE3 LYS 65 OK 82 100 - 82 - 4.8=34, 2.9/4878=7...(74) HB3 LYS 65 + HE2 LYS 65 OK 82 100 - 82 - 4.8=34, 2.9/4878=7...(74) HB3 LYS 115 + HE3 LYS 115 OK 70 93 - 75 - 4.8=33, 3.0/6784=7...(51) HB3 LYS 115 + HE2 LYS 115 OK 70 93 - 75 - 4.8=33, 3.0/6784=7...(51) HB2 LYS 115 + HE3 LYS 115 OK 68 91 - 75 - 4.8=33, 3.0/6784=7...(55) HB2 LYS 115 + HE2 LYS 115 OK 68 91 - 75 - 4.8=33, 3.0/6784=7...(55) HB3 LYS 65 + HE2 LYS 115 OK 47 93 - 51 - 2.9/4878=3, 2.9/4831=2...(20) HB3 LYS 65 + HE3 LYS 115 OK 47 93 - 51 - 2.9/4878=3, 2.9/4831=2...(20) HB2 LYS 65 + HE3 LYS 115 OK 47 93 - 51 - 2.9/4878=3, 2.9/4832=2...(20) HB2 LYS 65 + HE2 LYS 115 OK 47 93 - 51 - 2.9/4878=3, 2.9/4832=2...(20) HB3 LYS 115 - HE3 LYS 65 OK 38 100 - 38 - 3.0/6774=2, ~6784=2...(12) HB3 LYS 115 - HE2 LYS 65 OK 38 100 - 38 - 3.0/6774=2, ~6784=2...(12) HB2 LYS 115 - HE2 LYS 65 OK 38 99 - 39 - 3.0/6774=2, ~6784=2...(12) HB2 LYS 115 - HE3 LYS 65 OK 38 99 - 39 - 3.0/6774=2, ~6784=2...(12) HB3 LYS 40 - HE3 LYS 16 OK 31 79 - 39 - 2.7/6009=3, ~2892=3...(19) HB3 LYS 40 - HE2 LYS 16 OK 31 79 - 39 - 2.7/6009=3, ~2892=3...(19) HB VAL 104 - HE3 LYS 94 poor 10 84 - 12 - 2.1/10234=6, 2.1/11307=2...(4) HB VAL 104 - HE3 LYS 115 poor 8 73 - 11 - 10225/3.7=3, 2.1/10234=3...(4) HB VAL 104 - HE2 LYS 115 poor 8 73 - 11 - 10225/3.7=3, 2.1/10234=3...(4) HB2 LYS 39 - HE2 LYS 44 poor 7 63 - 11 - HB2 LYS 39 - HE3 LYS 44 poor 7 63 - 11 - HB2 LEU 70 - HE3 LYS 94 lone 7 94 - 7 - 3.1/11307=2, 3.1/11307=2 HB3 LYS 115 - HE2 LYS 16 lone 7 96 - 7 - HB3 LYS 115 - HE3 LYS 16 lone 7 96 - 7 - HB2 LYS 115 - HE2 LYS 16 lone 7 93 - 7 - HB2 LYS 115 - HE3 LYS 16 lone 7 93 - 7 - HB3 LYS 65 - HE2 LYS 16 lone 6 96 - 6 - HB3 LYS 65 - HE3 LYS 16 lone 6 96 - 6 - HB2 LYS 65 - HE2 LYS 16 lone 6 96 - 6 - HB2 LYS 65 - HE3 LYS 16 lone 6 96 - 6 - HB2 LYS 65 - HE3 LYS 94 lone 5 100 - 5 - HB3 LYS 65 - HE3 LYS 94 lone 5 100 - 5 - HB3 LYS 40 - HE3 LYS 96 poor 5 48 - 11 - 8046/6.3=2 HB3 LYS 40 - HE2 LYS 96 poor 5 48 - 11 - 8046/6.3=2 HB2 LYS 123 - HE2 LYS 44 lone 5 63 - 8 - HB2 LYS 123 - HE3 LYS 44 lone 5 63 - 8 - HB2 LEU 81 - HE3 LYS 65 lone 5 81 - 6 - HB2 LEU 81 - HE2 LYS 65 lone 5 81 - 6 - HB3 LYS 17 - HE2 LYS 16 lone 5 82 - 6 - ~2816=1 HB3 LYS 17 - HE3 LYS 16 lone 5 82 - 6 - ~2816=1 HB3 LYS 39 - HE3 LYS 44 poor 4 41 - 11 - HB3 LYS 39 - HE2 LYS 44 poor 4 41 - 11 - HB2 LYS 39 - HE2 LYS 16 lone 4 96 - 4 - HB2 LYS 39 - HE3 LYS 16 lone 4 96 - 4 - HB3 LYS 39 - HE3 LYS 16 lone 3 70 - 4 - HB3 LYS 39 - HE2 LYS 16 lone 3 70 - 4 - HB VAL 104 - HE2 LYS 65 lone 3 84 - 3 - 2.1/10234=1 HB VAL 104 - HE3 LYS 65 lone 3 84 - 3 - 2.1/10234=1 HB2 LYS 123 - HE3 LYS 16 lone 3 96 - 3 - HB2 LYS 123 - HE2 LYS 16 lone 3 96 - 3 - HB2 LYS 123 - HE3 LYS 94 lone 3 100 - 3 - HB3 LYS 115 - HE3 LYS 94 lone 3 100 - 2 - HB2 LYS 123 - HE3 LYS 65 lone 3 100 - 3 - HB2 LYS 123 - HE2 LYS 65 lone 3 100 - 3 - HB2 LYS 39 - HE3 LYS 96 lone 2 63 - 4 - HB2 LYS 39 - HE2 LYS 96 lone 2 63 - 4 - HB2 LYS 123 - HE2 LYS 115 lone 2 93 - 2 - HB2 LYS 123 - HE3 LYS 115 lone 2 93 - 2 - HB2 LYS 115 - HE3 LYS 94 lone 2 99 - 2 - HB3 LYS 123 - HE2 LYS 44 lone 2 31 - 7 - HB3 LYS 123 - HE3 LYS 44 lone 2 31 - 7 - HB2 LYS 123 - HE3 LYS 96 lone 2 63 - 3 - HB2 LYS 123 - HE2 LYS 96 lone 2 63 - 3 - HB2 LEU 81 - HE2 LYS 115 lone 2 70 - 2 - HB2 LEU 81 - HE3 LYS 115 lone 2 70 - 2 - HB3 LYS 123 - HE2 LYS 16 lone 2 55 - 3 - HB3 LYS 123 - HE3 LYS 16 lone 2 55 - 3 - HB3 LYS 123 - HE3 LYS 65 lone 2 61 - 3 - HB3 LYS 123 - HE2 LYS 65 lone 2 61 - 3 - HB3 LYS 17 - HE2 LYS 115 lone 2 79 - 2 - HB3 LYS 17 - HE3 LYS 115 lone 2 79 - 2 - HB3 GLU 41 - HE3 LYS 44 lone 2 39 - 4 - ~10937=1, ~9396=1 HB3 GLU 41 - HE2 LYS 44 lone 2 39 - 4 - ~10937=1, ~9396=1 HB2 LYS 39 - HE3 LYS 94 lone 1 100 - 1 - HB3 LYS 123 - HE3 LYS 115 lone 1 52 - 3 - HB3 LYS 123 - HE2 LYS 115 lone 1 52 - 3 - HB2 GLU 41 - HE3 LYS 44 lone 1 36 - 4 - ~10937=1, ~9396=1 HB2 GLU 41 - HE2 LYS 44 lone 1 36 - 4 - ~10937=1, ~9396=1 HB2 LEU 70 - HE3 LYS 65 lone 1 94 - 1 - HB2 LEU 70 - HE2 LYS 65 lone 1 94 - 1 - HB3 LYS 39 - HE2 LYS 96 lone 1 41 - 4 - HB3 LYS 39 - HE3 LYS 96 lone 1 41 - 4 - HB3 LYS 40 - HE2 LYS 115 lone 1 76 - 2 - HB3 LYS 40 - HE3 LYS 115 lone 1 76 - 2 - HB3 LYS 40 - HE3 LYS 44 lone 1 48 - 3 - HB3 LYS 40 - HE2 LYS 44 lone 1 48 - 3 - HB3 LYS 123 - HE3 LYS 94 lone 1 61 - 2 - HB3 LYS 40 - HE3 LYS 94 lone 1 87 - 1 - HB3 LYS 39 - HE3 LYS 94 lone 1 77 - 1 - HB3 LYS 40 - HE2 LYS 65 lone 1 87 - 1 - HB3 LYS 40 - HE3 LYS 65 lone 1 87 - 1 - HB2 LYS 39 - HE3 LYS 65 lone 1 100 - 1 - HB2 LYS 39 - HE2 LYS 65 lone 1 100 - 1 - HB3 MET 42 - HE3 LYS 94 lone 1 69 - 1 - HB ILE 15 - HE2 LYS 16 lone 1 58 - 2 - 77/7.4=1 HB ILE 15 - HE3 LYS 16 lone 1 58 - 2 - 77/7.4=1 HB2 LYS 39 - HE2 LYS 115 lone 1 93 - 1 - HB2 LYS 39 - HE3 LYS 115 lone 1 93 - 1 - HB2 LEU 70 - HE3 LYS 115 lone 1 84 - 1 - HB2 LEU 70 - HE2 LYS 115 lone 1 84 - 1 - HB2 LEU 81 - HE3 LYS 94 lone 1 80 - 1 - HB3 LYS 39 - HE2 LYS 65 lone 1 77 - 1 - HB3 LYS 39 - HE3 LYS 65 lone 1 77 - 1 - HB3 MET 42 - HE2 LYS 16 lone 1 62 - 1 - HB3 MET 42 - HE3 LYS 16 lone 1 62 - 1 - HB2 LYS 65 - HE3 LYS 96 lone 1 63 - 1 - HB2 LYS 65 - HE2 LYS 96 lone 1 63 - 1 - HB3 LYS 65 - HE2 LYS 96 lone 1 63 - 1 - HB3 LYS 65 - HE3 LYS 96 lone 1 63 - 1 - HB VAL 104 - HE2 LYS 96 lone 1 46 - 2 - HB VAL 104 - HE3 LYS 96 lone 1 46 - 2 - HB3 LYS 39 - HE2 LYS 115 lone 1 67 - 1 - HB3 LYS 39 - HE3 LYS 115 lone 1 67 - 1 - HB3 GLU 41 - HE2 LYS 16 lone 1 66 - 1 - HB3 GLU 41 - HE3 LYS 16 lone 1 66 - 1 - HB VAL 104 - HE2 LYS 16 lone 1 76 - 1 - HB VAL 104 - HE3 LYS 16 lone 1 76 - 1 - HB3 LYS 65 - HE3 LYS 44 lone 1 63 - 1 - HB3 LYS 65 - HE2 LYS 44 lone 1 63 - 1 - HB2 GLU 41 - HE2 LYS 16 lone 1 62 - 1 - HB2 GLU 41 - HE3 LYS 16 lone 1 62 - 1 - HB2 LYS 65 - HE3 LYS 44 lone 1 63 - 1 - HB2 LYS 65 - HE2 LYS 44 lone 1 63 - 1 - HB3 LYS 115 - HE3 LYS 96 lone 1 63 - 1 - HB3 LYS 115 - HE2 LYS 96 lone 1 63 - 1 - HB2 LEU 70 - HE2 LYS 96 lone 1 54 - 1 - HB2 LEU 70 - HE3 LYS 96 lone 1 54 - 1 - HB3 LYS 123 - HE2 LYS 96 lone 1 31 - 2 - HB3 LYS 123 - HE3 LYS 96 lone 1 31 - 2 - HB2 LYS 115 - HE3 LYS 96 lone 1 60 - 1 - HB2 LYS 115 - HE2 LYS 96 lone 1 60 - 1 - HB2 LEU 70 - HE3 LYS 16 lone 1 87 - 1 - HB2 LEU 70 - HE2 LYS 16 lone 1 87 - 1 - HB3 LYS 17 - HE3 LYS 94 lone 0 89 - 1 - HB2 LEU 127 - HE2 LYS 65 lone 0 100 - 0 - HB2 LEU 127 - HE3 LYS 65 lone 0 100 - 0 - HB3 LYS 115 - HE2 LYS 44 lone 0 63 - 1 - HB3 LYS 115 - HE3 LYS 44 lone 0 63 - 1 - HB2 LEU 70 - HE3 LYS 44 lone 0 54 - 1 - HB2 LEU 70 - HE2 LYS 44 lone 0 54 - 1 - HB2 LEU 81 - HE3 LYS 16 lone 0 73 - 1 - HB2 LEU 81 - HE2 LYS 16 lone 0 73 - 1 - HB2 LYS 115 - HE3 LYS 44 lone 0 60 - 1 - HB2 LYS 115 - HE2 LYS 44 lone 0 60 - 1 - HB2 LEU 127 - HE3 LYS 94 lone 0 100 - 0 - HB2 LEU 127 - HE3 LYS 16 lone 0 96 - 0 - HB2 LEU 127 - HE2 LYS 16 lone 0 96 - 0 - HB3 LYS 17 - HE3 LYS 65 lone 0 90 - 0 - HB3 LYS 17 - HE2 LYS 65 lone 0 90 - 0 - HB VAL 104 - HE2 LYS 44 lone 0 46 - 1 - HB VAL 104 - HE3 LYS 44 lone 0 46 - 1 - HB2 LEU 127 - HE3 LYS 115 lone 0 93 - 0 - HB2 LEU 127 - HE2 LYS 115 lone 0 93 - 0 - HB3 LYS 17 - HE2 LYS 96 lone 0 50 - 1 - HB3 LYS 17 - HE3 LYS 96 lone 0 50 - 1 - HG2 MET 121 - HE3 LYS 65 lone 0 73 - 0 - HG2 MET 121 - HE2 LYS 65 lone 0 73 - 0 - HB3 GLU 52 - HE3 LYS 94 lone 0 61 - 0 - HB3 GLU 41 - HE3 LYS 96 lone 0 39 - 1 - HB3 GLU 41 - HE2 LYS 96 lone 0 39 - 1 - HB3 GLU 41 - HE3 LYS 94 lone 0 73 - 0 - HB3 GLU 41 - HE2 LYS 65 lone 0 73 - 0 - HB3 GLU 41 - HE3 LYS 65 lone 0 73 - 0 - HB ILE 15 - HE3 LYS 115 lone 0 56 - 1 - HB ILE 15 - HE2 LYS 115 lone 0 56 - 1 - HB2 GLU 41 - HE2 LYS 96 lone 0 36 - 1 - HB2 GLU 41 - HE3 LYS 96 lone 0 36 - 1 - HG2 MET 121 - HE3 LYS 94 lone 0 73 - 0 - HG2 MET 121 - HE2 LYS 115 lone 0 63 - 0 - HG2 MET 121 - HE3 LYS 115 lone 0 63 - 0 - HG2 MET 121 - HE2 LYS 16 lone 0 66 - 0 - HG2 MET 121 - HE3 LYS 16 lone 0 66 - 0 - HB2 GLU 41 - HE2 LYS 65 lone 0 70 - 0 - HB2 GLU 41 - HE3 LYS 65 lone 0 70 - 0 - HB2 GLU 41 - HE3 LYS 94 lone 0 69 - 0 - HB3 MET 42 - HE2 LYS 65 lone 0 70 - 0 - HB3 MET 42 - HE3 LYS 65 lone 0 70 - 0 - HB3 GLU 41 - HE2 LYS 115 lone 0 63 - 0 - HB3 GLU 41 - HE3 LYS 115 lone 0 63 - 0 - HB ILE 15 - HE3 LYS 94 lone 0 65 - 0 - HB3 GLU 52 - HE3 LYS 65 lone 0 61 - 0 - HB3 GLU 52 - HE2 LYS 65 lone 0 61 - 0 - HB ILE 15 - HE2 LYS 65 lone 0 65 - 0 - HB ILE 15 - HE3 LYS 65 lone 0 65 - 0 - HB2 GLU 41 - HE3 LYS 115 lone 0 60 - 0 - HB2 GLU 41 - HE2 LYS 115 lone 0 60 - 0 - HB3 LYS 17 - HE2 LYS 44 lone 0 50 - 0 - HB3 LYS 17 - HE3 LYS 44 lone 0 50 - 0 - HB3 MET 42 - HE2 LYS 115 lone 0 60 - 0 - HB3 MET 42 - HE3 LYS 115 lone 0 60 - 0 - HB2 LEU 127 - HE2 LYS 96 lone 0 63 - 0 - HB2 LEU 127 - HE3 LYS 96 lone 0 63 - 0 - HB2 LEU 127 - HE3 LYS 44 lone 0 63 - 0 - HB2 LEU 127 - HE2 LYS 44 lone 0 63 - 0 - HB3 GLU 52 - HE3 LYS 16 lone 0 55 - 0 - HB3 GLU 52 - HE2 LYS 16 lone 0 55 - 0 - HB3 GLU 52 - HE3 LYS 115 lone 0 52 - 0 - HB3 GLU 52 - HE2 LYS 115 lone 0 52 - 0 - HB2 LEU 81 - HE2 LYS 44 lone 0 44 - 0 - HB2 LEU 81 - HE3 LYS 44 lone 0 44 - 0 - HB2 LEU 81 - HE2 LYS 96 lone 0 44 - 0 - HB2 LEU 81 - HE3 LYS 96 lone 0 44 - 0 - HG2 MET 121 - HE3 LYS 44 lone 0 39 - 0 - HG2 MET 121 - HE2 LYS 44 lone 0 39 - 0 - HB3 MET 42 - HE2 LYS 44 lone 0 36 - 0 - HB3 MET 42 - HE3 LYS 44 lone 0 36 - 0 - HG2 MET 121 - HE3 LYS 96 lone 0 39 - 0 - HG2 MET 121 - HE2 LYS 96 lone 0 39 - 0 - HB3 GLU 52 - HE2 LYS 44 lone 0 31 - 0 - HB3 GLU 52 - HE3 LYS 44 lone 0 31 - 0 - HB3 MET 42 - HE3 LYS 96 lone 0 36 - 0 - HB3 MET 42 - HE2 LYS 96 lone 0 36 - 0 - HB ILE 15 - HE3 LYS 44 lone 0 34 - 0 - HB ILE 15 - HE2 LYS 44 lone 0 34 - 0 - HB ILE 15 - HE3 LYS 96 lone 0 34 - 0 - HB ILE 15 - HE2 LYS 96 lone 0 34 - 0 - HB3 GLU 52 - HE2 LYS 96 lone 0 31 - 0 - HB3 GLU 52 - HE3 LYS 96 lone 0 31 - 0 - Peak 4877 from cnoeabs.peaks (1.55, 2.92, 41.78 ppm; 3.09 A): 2 out of 2 assignments used, quality = 0.98: HD3 LYS 94 + HE3 LYS 94 OK 87 87 - 100 - 3.0=100 HD2 LYS 94 + HE3 LYS 94 OK 87 87 - 100 - 3.0=100 Reference assignment not found: HG2 LYS 65 - HE3 LYS 65 Peak 4878 from cnoeabs.peaks (1.34, 2.92, 41.78 ppm; 3.49 A): 4 out of 44 assignments used, quality = 1.00: HG3 LYS 65 + HE2 LYS 65 OK 96 100 - 96 - 3.7=84, 4840/3.0=10...(42) * HG3 LYS 65 + HE3 LYS 65 OK 96 100 - 96 - 3.7=84, 4840/3.0=10...(42) HG3 LYS 65 + HE2 LYS 115 OK 46 93 - 49 - 4839/3.0=5, 4839/3.0=5...(21) HG3 LYS 65 + HE3 LYS 115 OK 46 93 - 49 - 4839/3.0=5, 4839/3.0=5...(21) HG LEU 81 - HE2 LYS 65 lone 9 100 - 9 - 4798/6.7=2, ~11637=1...(6) HG LEU 81 - HE3 LYS 65 lone 9 100 - 9 - 4798/6.7=2, ~11637=1...(6) HB3 LEU 81 - HE2 LYS 65 lone 7 87 - 8 - 4798/6.7=1 HB3 LEU 81 - HE3 LYS 65 lone 7 87 - 8 - 4798/6.7=1 HG3 LYS 65 - HE3 LYS 16 lone 5 96 - 6 - HG3 LYS 65 - HE2 LYS 16 lone 5 96 - 6 - HG3 LYS 65 - HE3 LYS 94 lone 4 100 - 3 - HG LEU 81 - HE3 LYS 115 lone 2 93 - 2 - HG LEU 81 - HE2 LYS 115 lone 2 93 - 2 - HB3 LEU 81 - HE3 LYS 115 lone 2 76 - 2 - HB3 LEU 81 - HE2 LYS 115 lone 2 76 - 2 - HG2 LYS 77 - HE3 LYS 65 lone 1 90 - 1 - HG2 LYS 77 - HE2 LYS 65 lone 1 90 - 1 - HG3 LYS 65 - HE3 LYS 96 lone 1 63 - 1 - HG3 LYS 65 - HE2 LYS 96 lone 1 63 - 1 - HG LEU 81 - HE2 LYS 16 lone 1 95 - 1 - HG LEU 81 - HE3 LYS 16 lone 1 95 - 1 - HG LEU 81 - HE3 LYS 94 lone 0 100 - 0 - HG3 LYS 65 - HE2 LYS 44 lone 1 63 - 1 - HG3 LYS 65 - HE3 LYS 44 lone 1 63 - 1 - HG2 LYS 77 - HE3 LYS 16 lone 0 82 - 1 - HG2 LYS 77 - HE2 LYS 16 lone 0 82 - 1 - HB3 LEU 81 - HE2 LYS 16 lone 0 79 - 1 - HB3 LEU 81 - HE3 LYS 16 lone 0 79 - 1 - HB3 LEU 81 - HE3 LYS 94 lone 0 87 - 1 - HG2 LYS 77 - HE3 LYS 94 lone 0 89 - 0 - HG2 LYS 77 - HE3 LYS 115 lone 0 79 - 0 - HG2 LYS 77 - HE2 LYS 115 lone 0 79 - 0 - HG LEU 81 - HE2 LYS 44 lone 0 62 - 0 - HG LEU 81 - HE3 LYS 44 lone 0 62 - 0 - HG LEU 81 - HE3 LYS 96 lone 0 62 - 0 - HG LEU 81 - HE2 LYS 96 lone 0 62 - 0 - HB3 LEU 81 - HE2 LYS 44 lone 0 48 - 0 - HB3 LEU 81 - HE3 LYS 44 lone 0 48 - 0 - HB3 LEU 81 - HE3 LYS 96 lone 0 48 - 0 - HB3 LEU 81 - HE2 LYS 96 lone 0 48 - 0 - HG2 LYS 77 - HE2 LYS 44 lone 0 50 - 0 - HG2 LYS 77 - HE3 LYS 44 lone 0 50 - 0 - HG2 LYS 77 - HE3 LYS 96 lone 0 50 - 0 - HG2 LYS 77 - HE2 LYS 96 lone 0 50 - 0 - Peak 4879 from cnoeabs.peaks (1.65, 2.92, 41.78 ppm; 2.46 A): 8 out of 132 assignments used, quality = 1.00: HD2 LYS 65 + HE2 LYS 65 OK 75 100 - 75 - 3.0=57, 4839/3.7=4...(21) * HD2 LYS 65 + HE3 LYS 65 OK 75 100 - 75 - 3.0=57, 4839/3.7=4...(21) HD3 LYS 65 + HE3 LYS 65 OK 75 100 - 75 - 3.0=57, 4839/3.7=4...(21) HD3 LYS 65 + HE2 LYS 65 OK 75 100 - 75 - 3.0=57, 4839/3.7=4...(21) HD2 LYS 115 + HE3 LYS 115 OK 67 93 - 72 - 3.0=58, 2.9/6774=3...(19) HD2 LYS 115 + HE2 LYS 115 OK 67 93 - 72 - 3.0=58, 2.9/6774=3...(19) HD3 LYS 115 + HE2 LYS 115 OK 65 91 - 72 - 3.0=58, 2.9/6784=3...(19) HD3 LYS 115 + HE3 LYS 115 OK 65 91 - 72 - 3.0=58, 2.9/6784=3...(19) HD2 LYS 65 - HE3 LYS 115 OK 22 93 - 24 - 3.0/4878=2, 4861=1, 3.0/4831=1 HD2 LYS 65 - HE2 LYS 115 OK 22 93 - 24 - 3.0/4878=2, 4861=1, 3.0/4831=1 HD3 LYS 65 - HE3 LYS 115 OK 22 92 - 24 - 3.0/4868=2, 4861=1, 3.0/4832=1 HD3 LYS 65 - HE2 LYS 115 OK 22 92 - 24 - 3.0/4868=2, 4861=1, 3.0/4832=1 HD2 LYS 115 - HE2 LYS 65 OK 16 100 - 17 - 4839/3.7=2, 2.9/6774=1 HD2 LYS 115 - HE3 LYS 65 OK 16 100 - 17 - 4839/3.7=2, 2.9/6774=1 HD3 LYS 115 - HE3 LYS 65 OK 16 99 - 17 - 4839/3.7=2, 2.9/6774=1 HD3 LYS 115 - HE2 LYS 65 OK 16 99 - 17 - 4839/3.7=2, 2.9/6774=1 HD2 LYS 115 - HE2 LYS 16 lone 3 95 - 3 - HD2 LYS 115 - HE3 LYS 16 lone 3 95 - 3 - HD3 LYS 115 - HE3 LYS 16 lone 3 93 - 3 - HD3 LYS 115 - HE2 LYS 16 lone 3 93 - 3 - HD2 LYS 65 - HE2 LYS 16 lone 3 96 - 3 - HD2 LYS 65 - HE3 LYS 16 lone 3 96 - 3 - HD3 LYS 65 - HE3 LYS 16 lone 3 95 - 3 - HD3 LYS 65 - HE2 LYS 16 lone 3 95 - 3 - HG LEU 114 - HE2 LYS 115 lone 2 92 - 3 - HG LEU 114 - HE3 LYS 115 lone 2 92 - 3 - HG LEU 90 - HE3 LYS 94 lone 2 77 - 3 - HD3 LYS 65 - HE3 LYS 94 lone 2 100 - 2 - HD2 LYS 65 - HE3 LYS 94 lone 2 100 - 2 - HG LEU 114 - HE2 LYS 65 lone 1 100 - 1 - HG LEU 114 - HE3 LYS 65 lone 1 100 - 1 - HD2 LYS 115 - HE3 LYS 94 lone 1 100 - 1 - HD3 LYS 115 - HE3 LYS 94 lone 1 99 - 1 - HG LEU 90 - HE2 LYS 65 lone 1 77 - 1 - HG LEU 90 - HE3 LYS 65 lone 1 77 - 1 - HG LEU 64 - HE2 LYS 65 lone 1 87 - 1 - HG LEU 64 - HE3 LYS 65 lone 1 87 - 1 - HG LEU 114 - HE3 LYS 94 lone 1 100 - 1 - HG LEU 114 - HE2 LYS 16 lone 1 95 - 1 - HG LEU 114 - HE3 LYS 16 lone 1 95 - 1 - HG LEU 64 - HE3 LYS 115 lone 0 76 - 1 - HG LEU 64 - HE2 LYS 115 lone 0 76 - 1 - HD3 LYS 49 - HE3 LYS 65 lone 0 100 - 0 - HD3 LYS 49 - HE2 LYS 65 lone 0 100 - 0 - HD2 LYS 49 - HE2 LYS 65 lone 0 100 - 0 - HD2 LYS 49 - HE3 LYS 65 lone 0 100 - 0 - HD2 LYS 65 - HE3 LYS 96 lone 0 63 - 1 - HD2 LYS 65 - HE2 LYS 96 lone 0 63 - 1 - HD3 LYS 65 - HE2 LYS 96 lone 0 62 - 1 - HD3 LYS 65 - HE3 LYS 96 lone 0 62 - 1 - HD3 LYS 49 - HE2 LYS 115 lone 0 93 - 0 - HD3 LYS 49 - HE3 LYS 115 lone 0 93 - 0 - HD2 LYS 49 - HE2 LYS 115 lone 0 93 - 0 - HD2 LYS 49 - HE3 LYS 115 lone 0 93 - 0 - HD3 LYS 49 - HE3 LYS 94 lone 0 100 - 0 - HD2 LYS 49 - HE3 LYS 94 lone 0 100 - 0 - HG LEU 64 - HE3 LYS 94 lone 0 87 - 0 - HD2 LYS 65 - HE2 LYS 44 lone 0 63 - 0 - HD2 LYS 65 - HE3 LYS 44 lone 0 63 - 0 - HD3 LYS 65 - HE3 LYS 44 lone 0 62 - 0 - HD3 LYS 65 - HE2 LYS 44 lone 0 62 - 0 - HB2 ARG 30 - HE2 LYS 65 lone 0 100 - 0 - HB2 ARG 30 - HE3 LYS 65 lone 0 100 - 0 - HB2 GLU 52 - HE3 LYS 94 lone 0 100 - 0 - HB2 GLU 52 - HE2 LYS 65 lone 0 100 - 0 - HB2 GLU 52 - HE3 LYS 65 lone 0 100 - 0 - HB2 ARG 30 - HE3 LYS 94 lone 0 100 - 0 - HD2 LYS 115 - HE2 LYS 96 lone 0 62 - 0 - HD2 LYS 115 - HE3 LYS 96 lone 0 62 - 0 - HB ILE 5 - HE3 LYS 65 lone 0 96 - 0 - HB ILE 5 - HE2 LYS 65 lone 0 96 - 0 - HD3 LYS 115 - HE3 LYS 96 lone 0 60 - 0 - HD3 LYS 115 - HE2 LYS 96 lone 0 60 - 0 - HG LEU 64 - HE2 LYS 16 lone 0 79 - 0 - HG LEU 64 - HE3 LYS 16 lone 0 79 - 0 - HG LEU 90 - HE2 LYS 115 lone 0 67 - 0 - HG LEU 90 - HE3 LYS 115 lone 0 67 - 0 - HB ILE 5 - HE2 LYS 115 lone 0 86 - 0 - HB ILE 5 - HE3 LYS 115 lone 0 86 - 0 - HB2 GLU 52 - HE2 LYS 115 lone 0 93 - 0 - HB2 GLU 52 - HE3 LYS 115 lone 0 93 - 0 - HD3 LYS 49 - HE3 LYS 16 lone 0 96 - 0 - HD2 LYS 49 - HE2 LYS 16 lone 0 96 - 0 - HD2 LYS 49 - HE3 LYS 16 lone 0 96 - 0 - HD3 LYS 49 - HE2 LYS 16 lone 0 96 - 0 - HB2 ARG 30 - HE2 LYS 115 lone 0 93 - 0 - HB2 ARG 30 - HE3 LYS 115 lone 0 93 - 0 - HB2 GLU 52 - HE2 LYS 16 lone 0 95 - 0 - HB2 GLU 52 - HE3 LYS 16 lone 0 95 - 0 - HB ILE 5 - HE3 LYS 94 lone 0 95 - 0 - HG LEU 90 - HE2 LYS 16 lone 0 70 - 0 - HG LEU 90 - HE3 LYS 16 lone 0 70 - 0 - HB2 ARG 30 - HE3 LYS 16 lone 0 96 - 0 - HB2 ARG 30 - HE2 LYS 16 lone 0 96 - 0 - HD2 LYS 115 - HE2 LYS 44 lone 0 62 - 0 - HD2 LYS 115 - HE3 LYS 44 lone 0 62 - 0 - HB2 ARG 30 - HE3 LYS 96 lone 0 63 - 0 - HB2 ARG 30 - HE2 LYS 96 lone 0 63 - 0 - HD3 LYS 115 - HE3 LYS 44 lone 0 60 - 0 - HD3 LYS 115 - HE2 LYS 44 lone 0 60 - 0 - HB ILE 5 - HE2 LYS 16 lone 0 89 - 0 - HB ILE 5 - HE3 LYS 16 lone 0 89 - 0 - HD3 LYS 49 - HE2 LYS 96 lone 0 63 - 0 - HD3 LYS 49 - HE3 LYS 96 lone 0 63 - 0 - HD2 LYS 49 - HE3 LYS 96 lone 0 63 - 0 - HD2 LYS 49 - HE2 LYS 96 lone 0 63 - 0 - HB2 ARG 30 - HE2 LYS 44 lone 0 63 - 0 - HB2 ARG 30 - HE3 LYS 44 lone 0 63 - 0 - HD2 LYS 49 - HE3 LYS 44 lone 0 63 - 0 - HD2 LYS 49 - HE2 LYS 44 lone 0 63 - 0 - HD3 LYS 49 - HE3 LYS 44 lone 0 63 - 0 - HD3 LYS 49 - HE2 LYS 44 lone 0 63 - 0 - HB2 GLU 52 - HE3 LYS 44 lone 0 62 - 0 - HB2 GLU 52 - HE2 LYS 44 lone 0 62 - 0 - HB2 GLU 52 - HE3 LYS 96 lone 0 62 - 0 - HB2 GLU 52 - HE2 LYS 96 lone 0 62 - 0 - HG LEU 114 - HE2 LYS 96 lone 0 62 - 0 - HG LEU 114 - HE3 LYS 96 lone 0 62 - 0 - HG LEU 114 - HE2 LYS 44 lone 0 62 - 0 - HG LEU 114 - HE3 LYS 44 lone 0 62 - 0 - HB ILE 5 - HE2 LYS 96 lone 0 56 - 0 - HB ILE 5 - HE3 LYS 96 lone 0 56 - 0 - HB ILE 5 - HE3 LYS 44 lone 0 56 - 0 - HB ILE 5 - HE2 LYS 44 lone 0 56 - 0 - HG LEU 90 - HE2 LYS 96 lone 0 41 - 0 - HG LEU 90 - HE3 LYS 96 lone 0 41 - 0 - HG LEU 90 - HE2 LYS 44 lone 0 41 - 0 - HG LEU 90 - HE3 LYS 44 lone 0 41 - 0 - HG LEU 64 - HE2 LYS 96 lone 0 48 - 0 - HG LEU 64 - HE3 LYS 96 lone 0 48 - 0 - HG LEU 64 - HE3 LYS 44 lone 0 48 - 0 - HG LEU 64 - HE2 LYS 44 lone 0 48 - 0 - Peak 4880 from cnoeabs.peaks (1.65, 2.92, 41.78 ppm; 2.46 A): 8 out of 132 assignments used, quality = 1.00: HD3 LYS 65 + HE2 LYS 65 OK 75 100 - 75 - 3.0=57, 4840/3.7=4...(21) * HD3 LYS 65 + HE3 LYS 65 OK 75 100 - 75 - 3.0=57, 4840/3.7=4...(21) HD2 LYS 65 + HE3 LYS 65 OK 75 100 - 75 - 3.0=57, 4840/3.7=4...(21) HD2 LYS 65 + HE2 LYS 65 OK 75 100 - 75 - 3.0=57, 4840/3.7=4...(21) HD2 LYS 115 + HE3 LYS 115 OK 65 91 - 72 - 3.0=58, 2.9/6784=3...(19) HD2 LYS 115 + HE2 LYS 115 OK 65 91 - 72 - 3.0=58, 2.9/6784=3...(19) HD3 LYS 115 + HE2 LYS 115 OK 62 86 - 72 - 3.0=58, 2.9/6784=3...(19) HD3 LYS 115 + HE3 LYS 115 OK 62 86 - 72 - 3.0=58, 2.9/6784=3...(19) HD3 LYS 65 - HE3 LYS 115 OK 22 93 - 24 - 3.0/4878=2, 4861=1, 3.0/4831=1 HD3 LYS 65 - HE2 LYS 115 OK 22 93 - 24 - 3.0/4878=2, 4861=1, 3.0/4831=1 HD2 LYS 65 - HE3 LYS 115 OK 22 92 - 24 - 3.0/4868=2, 4861=1, 3.0/4831=1 HD2 LYS 65 - HE2 LYS 115 OK 22 92 - 24 - 3.0/4868=2, 4861=1, 3.0/4831=1 HD2 LYS 115 - HE3 LYS 65 OK 16 99 - 17 - 4839/3.7=2, 2.9/6774=1 HD2 LYS 115 - HE2 LYS 65 OK 16 99 - 17 - 4839/3.7=2, 2.9/6774=1 HD3 LYS 115 - HE2 LYS 65 OK 15 96 - 16 - 4839/3.7=2, 2.9/6774=1 HD3 LYS 115 - HE3 LYS 65 OK 15 96 - 16 - 4839/3.7=2, 2.9/6774=1 HG LEU 90 - HE3 LYS 94 lone 3 87 - 3 - HD2 LYS 115 - HE3 LYS 16 lone 3 93 - 3 - HD2 LYS 115 - HE2 LYS 16 lone 3 93 - 3 - HD3 LYS 65 - HE2 LYS 16 lone 3 96 - 3 - HD3 LYS 65 - HE3 LYS 16 lone 3 96 - 3 - HD3 LYS 115 - HE3 LYS 16 lone 3 89 - 3 - HD3 LYS 115 - HE2 LYS 16 lone 3 89 - 3 - HD2 LYS 65 - HE2 LYS 16 lone 3 95 - 3 - HD2 LYS 65 - HE3 LYS 16 lone 3 95 - 3 - HG LEU 114 - HE2 LYS 115 lone 2 93 - 3 - HG LEU 114 - HE3 LYS 115 lone 2 93 - 3 - HD3 LYS 65 - HE3 LYS 94 lone 2 100 - 2 - HD2 LYS 65 - HE3 LYS 94 lone 2 100 - 2 - HG LEU 114 - HE2 LYS 65 lone 1 100 - 1 - HG LEU 114 - HE3 LYS 65 lone 1 100 - 1 - HG LEU 90 - HE3 LYS 65 lone 1 87 - 1 - HG LEU 90 - HE2 LYS 65 lone 1 87 - 1 - HD2 LYS 115 - HE3 LYS 94 lone 1 99 - 1 - HD3 LYS 115 - HE3 LYS 94 lone 1 95 - 1 - HG LEU 64 - HE2 LYS 65 lone 1 94 - 1 - HG LEU 64 - HE3 LYS 65 lone 1 94 - 1 - HG LEU 114 - HE3 LYS 94 lone 1 100 - 1 - HG LEU 114 - HE2 LYS 16 lone 1 96 - 1 - HG LEU 114 - HE3 LYS 16 lone 1 96 - 1 - HG LEU 64 - HE3 LYS 115 lone 0 84 - 1 - HG LEU 64 - HE2 LYS 115 lone 0 84 - 1 - HD2 LYS 49 - HE3 LYS 65 lone 0 100 - 0 - HD3 LYS 49 - HE2 LYS 65 lone 0 100 - 0 - HD3 LYS 49 - HE3 LYS 65 lone 0 100 - 0 - HD2 LYS 49 - HE2 LYS 65 lone 0 100 - 0 - HD3 LYS 65 - HE2 LYS 96 lone 0 63 - 1 - HD3 LYS 65 - HE3 LYS 96 lone 0 63 - 1 - HD2 LYS 65 - HE3 LYS 96 lone 0 62 - 1 - HD2 LYS 65 - HE2 LYS 96 lone 0 62 - 1 - HG LEU 64 - HE3 LYS 94 lone 0 94 - 0 - HD2 LYS 49 - HE2 LYS 115 lone 0 93 - 0 - HD2 LYS 49 - HE3 LYS 115 lone 0 93 - 0 - HD3 LYS 49 - HE3 LYS 115 lone 0 93 - 0 - HD3 LYS 49 - HE2 LYS 115 lone 0 93 - 0 - HD3 LYS 49 - HE3 LYS 94 lone 0 100 - 0 - HD2 LYS 49 - HE3 LYS 94 lone 0 100 - 0 - HD3 LYS 65 - HE2 LYS 44 lone 0 63 - 0 - HD3 LYS 65 - HE3 LYS 44 lone 0 63 - 0 - HD2 LYS 65 - HE2 LYS 44 lone 0 62 - 0 - HD2 LYS 65 - HE3 LYS 44 lone 0 62 - 0 - HB ILE 5 - HE2 LYS 65 lone 0 99 - 0 - HB ILE 5 - HE3 LYS 65 lone 0 99 - 0 - HB2 ARG 30 - HE2 LYS 65 lone 0 100 - 0 - HB2 ARG 30 - HE3 LYS 65 lone 0 100 - 0 - HB2 GLU 52 - HE3 LYS 94 lone 0 99 - 0 - HG LEU 90 - HE2 LYS 115 lone 0 76 - 0 - HG LEU 90 - HE3 LYS 115 lone 0 76 - 0 - HB2 GLU 52 - HE3 LYS 65 lone 0 99 - 0 - HB2 GLU 52 - HE2 LYS 65 lone 0 99 - 0 - HB2 ARG 30 - HE3 LYS 94 lone 0 100 - 0 - HG LEU 64 - HE3 LYS 16 lone 0 87 - 0 - HG LEU 64 - HE2 LYS 16 lone 0 87 - 0 - HD2 LYS 115 - HE3 LYS 96 lone 0 60 - 0 - HD2 LYS 115 - HE2 LYS 96 lone 0 60 - 0 - HB ILE 5 - HE2 LYS 115 lone 0 91 - 0 - HB ILE 5 - HE3 LYS 115 lone 0 91 - 0 - HD3 LYS 115 - HE2 LYS 96 lone 0 56 - 0 - HD3 LYS 115 - HE3 LYS 96 lone 0 56 - 0 - HG LEU 90 - HE3 LYS 16 lone 0 79 - 0 - HG LEU 90 - HE2 LYS 16 lone 0 79 - 0 - HB2 GLU 52 - HE2 LYS 115 lone 0 91 - 0 - HB2 GLU 52 - HE3 LYS 115 lone 0 91 - 0 - HD2 LYS 49 - HE2 LYS 16 lone 0 95 - 0 - HD2 LYS 49 - HE3 LYS 16 lone 0 95 - 0 - HD3 LYS 49 - HE2 LYS 16 lone 0 95 - 0 - HD3 LYS 49 - HE3 LYS 16 lone 0 95 - 0 - HB ILE 5 - HE3 LYS 94 lone 0 99 - 0 - HB2 ARG 30 - HE2 LYS 115 lone 0 92 - 0 - HB2 ARG 30 - HE3 LYS 115 lone 0 92 - 0 - HB2 GLU 52 - HE2 LYS 16 lone 0 93 - 0 - HB2 GLU 52 - HE3 LYS 16 lone 0 93 - 0 - HB2 ARG 30 - HE3 LYS 16 lone 0 95 - 0 - HB2 ARG 30 - HE2 LYS 16 lone 0 95 - 0 - HB ILE 5 - HE3 LYS 16 lone 0 93 - 0 - HB ILE 5 - HE2 LYS 16 lone 0 93 - 0 - HB2 ARG 30 - HE3 LYS 96 lone 0 62 - 0 - HB2 ARG 30 - HE2 LYS 96 lone 0 62 - 0 - HD2 LYS 115 - HE3 LYS 44 lone 0 60 - 0 - HD2 LYS 115 - HE2 LYS 44 lone 0 60 - 0 - HD3 LYS 49 - HE3 LYS 96 lone 0 62 - 0 - HD3 LYS 49 - HE2 LYS 96 lone 0 62 - 0 - HD2 LYS 49 - HE2 LYS 96 lone 0 62 - 0 - HD2 LYS 49 - HE3 LYS 96 lone 0 62 - 0 - HB2 ARG 30 - HE2 LYS 44 lone 0 62 - 0 - HB2 ARG 30 - HE3 LYS 44 lone 0 62 - 0 - HD3 LYS 115 - HE3 LYS 44 lone 0 56 - 0 - HD3 LYS 115 - HE2 LYS 44 lone 0 56 - 0 - HD3 LYS 49 - HE2 LYS 44 lone 0 62 - 0 - HD2 LYS 49 - HE3 LYS 44 lone 0 62 - 0 - HD2 LYS 49 - HE2 LYS 44 lone 0 62 - 0 - HD3 LYS 49 - HE3 LYS 44 lone 0 62 - 0 - HB2 GLU 52 - HE3 LYS 44 lone 0 60 - 0 - HB2 GLU 52 - HE2 LYS 44 lone 0 60 - 0 - HB2 GLU 52 - HE2 LYS 96 lone 0 60 - 0 - HB2 GLU 52 - HE3 LYS 96 lone 0 60 - 0 - HG LEU 114 - HE2 LYS 96 lone 0 63 - 0 - HG LEU 114 - HE3 LYS 96 lone 0 63 - 0 - HG LEU 114 - HE3 LYS 44 lone 0 63 - 0 - HG LEU 114 - HE2 LYS 44 lone 0 63 - 0 - HG LEU 90 - HE2 LYS 96 lone 0 48 - 0 - HG LEU 90 - HE3 LYS 96 lone 0 48 - 0 - HG LEU 90 - HE3 LYS 44 lone 0 48 - 0 - HG LEU 90 - HE2 LYS 44 lone 0 48 - 0 - HB ILE 5 - HE2 LYS 96 lone 0 60 - 0 - HB ILE 5 - HE3 LYS 96 lone 0 60 - 0 - HB ILE 5 - HE2 LYS 44 lone 0 60 - 0 - HB ILE 5 - HE3 LYS 44 lone 0 60 - 0 - HG LEU 64 - HE3 LYS 96 lone 0 54 - 0 - HG LEU 64 - HE2 LYS 96 lone 0 54 - 0 - HG LEU 64 - HE3 LYS 44 lone 0 54 - 0 - HG LEU 64 - HE2 LYS 44 lone 0 54 - 0 - Peak 4881 from cnoeabs.peaks (2.92, 2.92, 41.78 ppm; diagonal): 7 out of 11 assignments used, quality = 1.00: HE2 LYS 65 + HE2 LYS 65 OK 100 100 - 100 HE3 LYS 65 + HE3 LYS 65 OK 100 100 - 100 HE3 LYS 94 + HE3 LYS 94 OK 100 100 - 100 HE2 LYS 16 + HE2 LYS 16 OK 92 92 - 100 HE3 LYS 16 + HE3 LYS 16 OK 92 92 - 100 HE2 LYS 115 + HE2 LYS 115 OK 88 88 - 100 HE3 LYS 115 + HE3 LYS 115 OK 88 88 - 100 HE3 LYS 96 - HE3 LYS 96 OK 44 44 - 100 HE3 LYS 44 - HE3 LYS 44 OK 44 44 - 100 HE2 LYS 44 - HE2 LYS 44 OK 44 44 - 100 HE2 LYS 96 - HE2 LYS 96 OK 44 44 - 100 Reference assignment not found: HE2 LYS 65 - HE3 LYS 65 Peak 4882 from cnoeabs.peaks (2.92, 2.92, 41.78 ppm; diagonal): 7 out of 11 assignments used, quality = 1.00: HE2 LYS 65 + HE2 LYS 65 OK 100 100 - 100 * HE3 LYS 65 + HE3 LYS 65 OK 100 100 - 100 HE3 LYS 94 + HE3 LYS 94 OK 100 100 - 100 HE2 LYS 16 + HE2 LYS 16 OK 92 92 - 100 HE3 LYS 16 + HE3 LYS 16 OK 92 92 - 100 HE2 LYS 115 + HE2 LYS 115 OK 88 88 - 100 HE3 LYS 115 + HE3 LYS 115 OK 88 88 - 100 HE3 LYS 96 - HE3 LYS 96 OK 44 44 - 100 HE3 LYS 44 - HE3 LYS 44 OK 44 44 - 100 HE2 LYS 44 - HE2 LYS 44 OK 44 44 - 100 HE2 LYS 96 - HE2 LYS 96 OK 44 44 - 100 Peak 4883 from cnoeabs.peaks (7.80, 4.03, 59.12 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 66 + HA GLU 66 OK 100 100 - 100 - 2.9=100 Peak 4884 from cnoeabs.peaks (4.03, 4.03, 59.12 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA GLU 66 + HA GLU 66 OK 100 100 - 100 HA GLU 13 + HA GLU 13 OK 96 96 - 100 HA LYS 123 + HA LYS 123 OK 95 95 - 100 HA GLU 92 + HA GLU 92 OK 83 83 - 100 Peak 4885 from cnoeabs.peaks (2.04, 4.03, 59.12 ppm; 2.80 A): 2 out of 68 assignments used, quality = 0.97: * HB2 GLU 66 + HA GLU 66 OK 93 100 - 93 - 3.0=81, 1.8/4896=15...(19) HB2 GLU 92 + HA GLU 92 OK 62 67 - 92 - 3.0=81, 1.8/5860=8...(29) HB2 GLU 89 - HA GLU 92 OK 32 87 - 37 - 3.0/5872=3, ~8178=3...(18) HB3 GLU 89 - HA GLU 92 OK 32 87 - 37 - 3.0/5872=3, ~8178=3...(18) HB3 MET 67 - HA GLU 66 OK 22 94 - 23 - 1441/3.6=6, 4.6/2100=4...(10) HB2 GLU 89 - HA GLU 66 OK 10 100 - 10 - 4889/2.9=2 HB3 GLU 89 - HA GLU 66 OK 10 100 - 10 - 4889/2.9=2 HB2 GLU 92 - HA GLU 13 poor 10 77 - 13 - 5854=2, 3.0/2611=1...(4) HB3 GLN 85 - HA GLU 66 lone 8 100 - 8 - 4889/2.9=2, 1.8/2609=1 HB2 GLU 66 - HA LYS 123 lone 8 95 - 9 - 3.0/4902=2, 3.0/4908=2...(5) HB3 GLU 87 - HA GLU 66 lone 7 100 - 7 - 1.8/5704=2 HB2 GLU 66 - HA GLU 92 lone 6 87 - 7 - 3.0/4908=1, 3.0/4902=1 HB2 GLU 92 - HA GLU 66 lone 5 84 - 6 - 5854=1 HB3 GLN 100 - HA GLU 66 lone 5 96 - 5 - 1.8/8133=1, 410/3.6=1 HB3 MET 67 - HA LYS 123 lone 4 86 - 5 - 4.6/2100=1 HB3 GLU 98 - HA GLU 66 lone 3 84 - 4 - HB3 GLU 98 - HA GLU 13 lone 3 77 - 3 - HB2 GLU 89 - HA GLU 13 lone 3 96 - 3 - HB3 GLU 89 - HA GLU 13 lone 3 96 - 3 - HB3 GLN 85 - HA LYS 123 lone 3 95 - 3 - HB VAL 117 - HA GLU 66 lone 2 97 - 2 - HB3 GLU 87 - HA GLU 92 lone 2 87 - 2 - HB3 GLU 48 - HA GLU 92 lone 2 87 - 2 - HB2 GLU 48 - HA GLU 92 lone 2 87 - 2 - HB3 GLN 100 - HA GLU 13 lone 2 90 - 2 - HB3 GLN 100 - HA GLU 92 lone 1 79 - 2 - HB2 MET 1 - HA GLU 66 lone 1 92 - 1 - HB3 GLU 111 - HA GLU 92 lone 1 54 - 2 - HB2 GLU 66 - HA GLU 13 lone 1 96 - 1 - HB2 GLN 25 - HA LYS 123 lone 1 54 - 2 - HB3 GLU 111 - HA GLU 66 lone 1 70 - 1 - HB3 GLU 87 - HA GLU 13 lone 1 96 - 1 - HB3 MET 67 - HA GLU 92 lone 1 77 - 1 - HB2 GLU 89 - HA LYS 123 lone 1 95 - 1 - HB3 GLU 89 - HA LYS 123 lone 1 95 - 1 - HB3 GLU 48 - HA GLU 66 lone 1 100 - 1 - HB2 GLU 48 - HA GLU 66 lone 1 100 - 1 - HB3 GLU 98 - HA GLU 92 lone 1 67 - 1 - HB3 GLN 85 - HA GLU 13 lone 1 96 - 1 - HB2 GLU 48 - HA GLU 13 lone 1 96 - 1 - HB3 GLU 48 - HA GLU 13 lone 1 96 - 1 - HB3 GLU 87 - HA LYS 123 lone 1 95 - 1 - HB3 GLN 85 - HA GLU 92 lone 1 87 - 1 - HB3 GLN 100 - HA LYS 123 lone 1 88 - 1 - HB3 MET 67 - HA GLU 13 lone 1 88 - 1 - HB2 GLN 25 - HA GLU 66 lone 1 61 - 1 - HB2 GLU 92 - HA LYS 123 lone 1 75 - 1 - HB2 GLU 47 - HA GLU 92 lone 1 57 - 1 - HG3 GLU 52 - HA GLU 66 lone 1 99 - 1 - HB VAL 117 - HA GLU 13 lone 0 91 - 0 - HB VAL 117 - HA LYS 123 lone 0 90 - 0 - HB2 GLU 47 - HA GLU 66 lone 0 73 - 0 - HG3 GLU 52 - HA GLU 92 lone 0 85 - 0 - HB VAL 117 - HA GLU 92 lone 0 81 - 0 - HB3 GLU 98 - HA LYS 123 lone 0 75 - 0 - HB2 MET 1 - HA LYS 123 lone 0 84 - 0 - HB2 GLU 47 - HA GLU 13 lone 0 67 - 0 - HB2 GLU 48 - HA LYS 123 lone 0 95 - 0 - HB3 GLU 48 - HA LYS 123 lone 0 95 - 0 - HG3 GLU 52 - HA LYS 123 lone 0 93 - 0 - HB3 GLU 111 - HA GLU 13 lone 0 63 - 0 - HB2 GLU 47 - HA LYS 123 lone 0 65 - 0 - HG3 GLU 52 - HA GLU 13 lone 0 95 - 0 - HB2 MET 1 - HA GLU 13 lone 0 85 - 0 - HB3 GLU 111 - HA LYS 123 lone 0 62 - 0 - HB2 MET 1 - HA GLU 92 lone 0 75 - 0 - HB2 GLN 25 - HA GLU 13 lone 0 55 - 0 - HB2 GLN 25 - HA GLU 92 lone 0 47 - 0 - Peak 4886 from cnoeabs.peaks (2.09, 4.03, 59.12 ppm; 2.74 A): 2 out of 60 assignments used, quality = 0.96: * HB3 GLU 66 + HA GLU 66 OK 90 100 - 90 - 3.0=76, 3.0/4902=12...(18) HB3 GLU 92 + HA GLU 92 OK 58 64 - 90 - 3.0=76, 1.8/5854=13...(26) HB3 GLU 69 - HA GLU 66 OK 30 99 - 30 - 1.8/8133=8, 8135=6...(9) HB3 GLU 69 - HA GLU 92 OK 13 85 - 15 - 1.8/8133=4, 8135=3, 4.0/2107=2 HB2 GLU 87 - HA GLU 66 lone 9 100 - 9 - 5704=3, 4910/3.7=1...(4) HB3 GLU 92 - HA GLU 13 poor 9 74 - 12 - 1.8/5854=2, ~1084=1...(4) HB3 GLU 66 - HA LYS 123 lone 9 95 - 9 - 4896=2, 7633/3.0=2...(4) HB3 GLU 69 - HA LYS 123 lone 7 93 - 7 - 1.8/8133=2, 4.0/2107=2, 8135=2 HB2 GLU 112 - HA GLU 66 lone 6 94 - 7 - 8135=1, 1435/2.9=1 HB3 GLU 112 - HA GLU 66 lone 6 92 - 7 - 8135=1 HB3 GLU 66 - HA GLU 92 lone 6 87 - 7 - 4896=2, 3.0/4908=1, 3.0/4902=1 HB3 GLU 92 - HA GLU 66 lone 6 81 - 7 - HG2 GLU 119 - HA GLU 92 lone 5 54 - 9 - 1.8/6932=2, 6926=1 HB2 GLU 103 - HA GLU 92 lone 4 83 - 5 - 1.8/8202=1 HB3 MET 121 - HA LYS 123 lone 4 65 - 6 - 4.6/2231=3 HB2 GLU 111 - HA GLU 92 lone 2 83 - 3 - HB2 GLU 87 - HA GLU 92 lone 2 87 - 2 - HB2 GLU 111 - HA GLU 66 lone 2 98 - 2 - HB3 MET 121 - HA GLU 66 lone 2 73 - 2 - HB3 GLU 69 - HA GLU 13 lone 1 95 - 1 - HB2 GLU 87 - HA GLU 13 lone 1 96 - 1 - HB3 GLU 66 - HA GLU 13 lone 1 96 - 1 - HB2 GLU 112 - HA LYS 123 lone 1 86 - 1 - HB2 GLU 103 - HA GLU 66 lone 1 98 - 1 - HB3 GLU 112 - HA LYS 123 lone 1 84 - 1 - HB2 GLU 87 - HA LYS 123 lone 1 95 - 1 - HB2 GLU 112 - HA GLU 92 lone 1 77 - 1 - HB3 PHE 79 - HA GLU 92 lone 1 51 - 2 - HB3 GLU 112 - HA GLU 92 lone 1 75 - 1 - HG2 GLU 119 - HA LYS 123 lone 1 62 - 1 - HG3 GLU 21 - HA GLU 66 lone 1 90 - 1 - HB3 GLU 92 - HA LYS 123 lone 1 72 - 1 - HG2 GLU 52 - HA GLU 66 lone 1 97 - 1 - HB3 MET 121 - HA GLU 13 lone 1 67 - 1 - HG2 GLU 21 - HA GLU 66 lone 1 84 - 1 - HB3 GLU 47 - HA GLU 92 lone 1 54 - 1 - HG2 GLU 119 - HA GLU 66 lone 1 70 - 1 - HB2 GLU 103 - HA LYS 123 lone 0 91 - 1 - HB2 GLU 103 - HA GLU 13 lone 0 93 - 0 - HB3 PHE 79 - HA GLU 66 lone 0 65 - 1 - HB3 MET 121 - HA GLU 92 lone 0 57 - 1 - HB2 GLU 112 - HA GLU 13 lone 0 88 - 0 - HB2 GLU 111 - HA LYS 123 lone 0 91 - 0 - HB3 GLU 112 - HA GLU 13 lone 0 85 - 0 - HG3 GLU 21 - HA GLU 92 lone 0 72 - 0 - HG2 GLU 119 - HA GLU 13 lone 0 63 - 1 - HG2 GLU 52 - HA GLU 92 lone 0 81 - 0 - HB3 GLU 47 - HA GLU 66 lone 0 70 - 0 - HB2 GLU 111 - HA GLU 13 lone 0 93 - 0 - HG2 GLU 21 - HA GLU 92 lone 0 67 - 0 - HG2 GLU 21 - HA LYS 123 lone 0 75 - 0 - HG3 GLU 21 - HA LYS 123 lone 0 81 - 0 - HG2 GLU 52 - HA LYS 123 lone 0 90 - 0 - HB3 GLU 47 - HA GLU 13 lone 0 63 - 0 - HB3 GLU 47 - HA LYS 123 lone 0 62 - 0 - HG2 GLU 52 - HA GLU 13 lone 0 91 - 0 - HG3 GLU 21 - HA GLU 13 lone 0 83 - 0 - HB3 PHE 79 - HA LYS 123 lone 0 58 - 0 - HG2 GLU 21 - HA GLU 13 lone 0 77 - 0 - HB3 PHE 79 - HA GLU 13 lone 0 59 - 0 - Peak 4887 from cnoeabs.peaks (2.39, 4.03, 59.12 ppm; 3.60 A): 1 out of 32 assignments used, quality = 0.98: * HG2 GLU 66 + HA GLU 66 OK 98 100 - 98 - 3.7=89, 4901/2.9=23...(15) HG2 GLN 122 - HA LYS 123 OK 38 69 - 55 - 1.8/10605=10, ~781=9...(12) HG3 MET 67 - HA GLU 66 OK 33 99 - 33 - 4941/3.6=10, 1436/2.9=6...(11) HG3 GLN 85 - HA GLU 66 OK 16 81 - 19 - 1.8/10608=2, 1436/2.9=2...(9) HG2 GLU 66 - HA LYS 123 OK 15 95 - 16 - 4902=4, 1.8/4908=4...(6) HG2 GLN 85 - HA GLU 66 OK 14 73 - 19 - 1.8/10608=2, 1436/2.9=2...(9) HG2 GLU 66 - HA GLU 92 OK 11 87 - 12 - 4902=3, 1.8/4908=3...(4) HG2 GLN 122 - HA GLU 66 poor 9 77 - 12 - 1.8/10605=2, 1443/3.6=2...(7) HG3 MET 67 - HA LYS 123 lone 8 93 - 9 - 4941/3.0=3, ~4934=1, 9715/3.9=1 HG3 GLN 85 - HA LYS 123 lone 6 72 - 8 - 780/3.0=2, ~780=1, ~7933=1 HG2 GLU 98 - HA GLU 66 lone 6 81 - 7 - HG2 GLN 85 - HA LYS 123 lone 5 65 - 8 - 780/3.0=2, ~780=1, ~7933=1 HG2 GLN 25 - HA LYS 123 lone 4 88 - 5 - ~781=2, ~7934=1 HG2 GLU 98 - HA GLU 13 lone 4 74 - 5 - 6224/3.0=1 HG2 GLN 25 - HA GLU 66 lone 2 96 - 2 - HG2 GLN 122 - HA GLU 92 lone 2 61 - 3 - HG2 GLU 66 - HA GLU 13 lone 2 96 - 2 - HG3 MET 67 - HA GLU 92 lone 1 85 - 2 - HG2 GLU 98 - HA GLU 92 lone 1 64 - 2 - HG3 MET 67 - HA GLU 13 lone 1 95 - 1 - HB3 TYR 27 - HA GLU 66 lone 1 61 - 2 - HG3 GLN 85 - HA GLU 13 lone 1 74 - 1 - HG2 GLN 85 - HA GLU 13 lone 1 67 - 1 - HG3 GLN 85 - HA GLU 92 lone 1 64 - 1 - HG2 GLN 122 - HA GLU 13 lone 1 70 - 1 - HB3 TYR 27 - HA LYS 123 lone 1 54 - 1 - HG2 GLN 85 - HA GLU 92 lone 1 57 - 1 - HG2 GLN 25 - HA GLU 13 lone 1 90 - 1 - HG2 GLN 25 - HA GLU 92 lone 0 79 - 1 - HG2 GLU 98 - HA LYS 123 lone 0 72 - 1 - HB3 TYR 27 - HA GLU 13 lone 0 55 - 1 - HB3 TYR 27 - HA GLU 92 lone 0 47 - 1 - Peak 4888 from cnoeabs.peaks (2.19, 4.03, 59.12 ppm; 3.16 A): 2 out of 40 assignments used, quality = 0.94: * HG3 GLU 66 + HA GLU 66 OK 92 100 - 92 - 3.7=60, 1.8/4902=22...(18) HB2 GLU 69 + HA GLU 66 OK 27 81 - 34 - 8133=10, 4.0/2107=6...(10) HB2 MET 67 - HA GLU 66 OK 20 73 - 27 - 1440/3.6=7, 4.6/2100=5...(9) HG3 GLU 66 - HA LYS 123 OK 12 95 - 13 - 4908=3, 1.8/4902=3...(5) HB2 GLU 69 - HA GLU 92 OK 11 64 - 18 - 8133=5, 1.8/8135=3...(5) HG3 GLU 66 - HA GLU 92 poor 9 87 - 11 - 4908=3, 1.8/4902=2...(4) HB2 GLN 85 - HA GLU 66 poor 8 81 - 10 - 3.0/10608=1, 3.0/10608=1...(4) HB2 GLU 69 - HA LYS 123 lone 6 72 - 9 - 8133=3, 4.0/2107=3, 1.8/8135=1 HB2 MET 42 - HA GLU 66 lone 5 99 - 5 - HB2 MET 67 - HA LYS 123 lone 4 65 - 6 - 4.6/2100=1 HB2 GLU 98 - HA GLU 66 lone 4 96 - 4 - HB2 GLU 98 - HA GLU 13 lone 4 90 - 4 - HB2 GLN 85 - HA LYS 123 lone 2 72 - 3 - HG2 GLU 48 - HA GLU 92 lone 2 61 - 3 - HB3 GLU 37 - HA GLU 66 lone 2 87 - 2 - HB3 MET 1 - HA GLU 66 lone 2 90 - 2 - HB2 MET 42 - HA LYS 123 lone 1 93 - 2 - HG3 GLU 66 - HA GLU 13 lone 1 96 - 1 - HB2 GLU 69 - HA GLU 13 lone 1 74 - 2 - HG2 GLU 48 - HA GLU 13 lone 1 70 - 1 - HB2 GLU 98 - HA GLU 92 lone 1 79 - 1 - HB3 GLU 37 - HA GLU 92 lone 1 70 - 1 - HB2 MET 42 - HA GLU 13 lone 1 95 - 1 - HG2 GLU 48 - HA GLU 66 lone 1 77 - 1 - HB2 MET 67 - HA GLU 92 lone 1 57 - 2 - HB2 MET 42 - HA GLU 92 lone 1 85 - 1 - HB3 GLU 37 - HA GLU 13 lone 1 80 - 1 - HB2 GLN 85 - HA GLU 13 lone 1 74 - 1 - HB2 MET 67 - HA GLU 13 lone 1 67 - 1 - HB2 GLN 85 - HA GLU 92 lone 0 64 - 1 - HB2 GLU 98 - HA LYS 123 lone 0 88 - 0 - HB3 GLU 37 - HA LYS 123 lone 0 78 - 0 - HG3 GLN 28 - HA GLU 66 lone 0 77 - 0 - HB3 MET 1 - HA LYS 123 lone 0 81 - 0 - HG3 GLN 28 - HA LYS 123 lone 0 69 - 0 - HB3 MET 1 - HA GLU 13 lone 0 83 - 0 - HG3 GLN 28 - HA GLU 13 lone 0 70 - 0 - HG2 GLU 48 - HA LYS 123 lone 0 69 - 0 - HB3 MET 1 - HA GLU 92 lone 0 72 - 0 - HG3 GLN 28 - HA GLU 92 lone 0 61 - 0 - Peak 4889 from cnoeabs.peaks (7.80, 2.04, 29.26 ppm; 3.51 A): 1 out of 12 assignments used, quality = 0.98: * H GLU 66 + HB2 GLU 66 OK 98 100 - 98 - 3.7=87, 4895/1.8=23...(19) H GLU 66 - HB3 GLN 85 OK 16 99 - 16 - 1434=3, 1437/1.8=2...(5) H GLU 66 - HB3 GLU 89 OK 15 100 - 15 - 1434=3, 1434/1.8=3...(4) H GLU 66 - HB2 GLU 89 OK 15 100 - 15 - 1434=3, 1434/1.8=3...(4) H LYS 96 - HB2 GLU 66 lone 6 70 - 9 - 3.6/8221=2, 4907/3.0=2...(5) H GLU 66 - HB3 GLN 100 lone 6 89 - 7 - 1434=1, 4.7/410=1 H LYS 96 - HB3 GLU 98 poor 4 31 - 14 - 2173/4.0=7, 3.6/8221=5 H GLU 66 - HB3 GLU 98 lone 4 54 - 7 - 1434=1, 1437/1.8=1, 2173/4.0=1 H LYS 96 - HB3 GLN 85 lone 1 67 - 2 - H LYS 96 - HB3 GLU 89 lone 1 69 - 1 - H LYS 96 - HB2 GLU 89 lone 1 69 - 1 - H LYS 96 - HB3 GLN 100 lone 1 56 - 1 - Peak 4890 from cnoeabs.peaks (4.03, 2.04, 29.26 ppm; 3.02 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 66 + HB2 GLU 66 OK 100 100 - 100 - 3.0=100 Peak 4891 from cnoeabs.peaks (2.04, 2.04, 29.26 ppm; diagonal): 5 out of 6 assignments used, quality = 1.00: * HB2 GLU 66 + HB2 GLU 66 OK 100 100 - 100 HB3 GLU 89 + HB3 GLU 89 OK 100 100 - 100 HB2 GLU 89 + HB2 GLU 89 OK 100 100 - 100 HB3 GLN 85 + HB3 GLN 85 OK 99 99 - 100 HB3 GLN 100 + HB3 GLN 100 OK 81 81 - 100 HB3 GLU 98 - HB3 GLU 98 OK 39 39 - 100 Peak 4892 from cnoeabs.peaks (2.09, 2.04, 29.26 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 66 + HB2 GLU 66 OK 100 100 - 100 - 1.8=100 Peak 4893 from cnoeabs.peaks (2.39, 2.04, 29.26 ppm; 2.78 A): 3 out of 48 assignments used, quality = 0.99: * HG2 GLU 66 + HB2 GLU 66 OK 94 100 - 94 - 3.0=80, 4904/1.8=20...(18) HG3 GLN 85 + HB3 GLN 85 OK 71 78 - 91 - 3.0=79, 1.8/5680=9...(23) HG2 GLN 85 + HB3 GLN 85 OK 64 71 - 91 - 3.0=79, 1.8/5680=9...(23) HG2 GLU 98 - HB3 GLU 98 OK 34 37 - 92 - 3.0=79, 6223/1.8=17...(13) HG3 MET 67 - HB2 GLU 66 OK 20 99 - 20 - 4941/4.1=5, 4899/1.8=3...(6) HG2 GLU 66 - HB2 GLU 89 lone 9 100 - 9 - 1.8/4909=2, 11070/3.0=1 HG2 GLU 66 - HB3 GLU 89 lone 9 100 - 9 - 1.8/4909=2, 11070/3.0=1 HG3 GLN 85 - HB2 GLU 66 lone 8 81 - 10 - 4899/1.8=1 HG2 GLU 98 - HB3 GLN 85 lone 7 78 - 9 - 6223/1.8=2, 6224=2...(4) HG2 GLN 85 - HB2 GLU 66 lone 7 73 - 10 - 4899/1.8=1 HG2 GLN 25 - HB3 GLU 98 poor 6 48 - 12 - ~10160=6, 6207/2.9=2, 1656/4.0=1 HG2 GLU 66 - HB3 GLN 85 lone 5 99 - 5 - 1.8/4909=1 HG2 GLU 98 - HB2 GLU 66 lone 5 81 - 6 - HG2 GLN 122 - HB2 GLU 66 lone 4 77 - 6 - HG3 MET 67 - HB3 GLN 100 lone 3 87 - 4 - 3.7/11121=1 HG2 GLU 98 - HB2 GLU 89 lone 3 80 - 4 - HG2 GLU 98 - HB3 GLU 89 lone 3 80 - 4 - HG3 GLN 85 - HB3 GLU 98 lone 3 37 - 8 - HG2 GLU 66 - HB3 GLU 98 lone 3 54 - 5 - 1.8/4909=1 HB3 TYR 27 - HB2 GLU 89 lone 3 61 - 4 - 2.5/11059=1, ~11059=1 HB3 TYR 27 - HB3 GLU 89 lone 3 61 - 4 - 2.5/11059=1, ~11059=1 HG2 GLN 85 - HB3 GLU 98 lone 3 33 - 8 - HG3 GLN 85 - HB3 GLU 89 lone 2 80 - 3 - HG3 GLN 85 - HB2 GLU 89 lone 2 80 - 3 - HG3 MET 67 - HB3 GLN 85 lone 2 98 - 2 - HG2 GLN 85 - HB3 GLU 89 lone 2 73 - 3 - HG2 GLN 85 - HB2 GLU 89 lone 2 73 - 3 - HG2 GLU 98 - HB3 GLN 100 lone 2 66 - 3 - HG2 GLU 66 - HB3 GLN 100 lone 2 89 - 2 - HG2 GLN 25 - HB2 GLU 66 lone 2 96 - 2 - HG2 GLN 122 - HB3 GLN 85 lone 1 74 - 2 - HG3 MET 67 - HB2 GLU 89 lone 1 99 - 1 - HG3 MET 67 - HB3 GLU 89 lone 1 99 - 1 - HG2 GLN 25 - HB3 GLU 89 lone 1 95 - 1 - HG2 GLN 25 - HB2 GLU 89 lone 1 95 - 1 - HB3 TYR 27 - HB2 GLU 66 lone 1 61 - 1 - HG3 MET 67 - HB3 GLU 98 lone 1 52 - 2 - HG2 GLN 122 - HB3 GLU 89 lone 1 77 - 1 - HG2 GLN 122 - HB2 GLU 89 lone 1 77 - 1 - HG2 GLN 25 - HB3 GLN 85 lone 1 93 - 1 - HG3 GLN 85 - HB3 GLN 100 lone 1 66 - 1 - HG2 GLN 85 - HB3 GLN 100 lone 0 59 - 1 - HG2 GLN 25 - HB3 GLN 100 lone 0 81 - 1 - HB3 TYR 27 - HB3 GLN 85 lone 0 59 - 1 - HG2 GLN 122 - HB3 GLU 98 lone 0 35 - 1 - HB3 TYR 27 - HB3 GLU 98 lone 0 26 - 2 - HB3 TYR 27 - HB3 GLN 100 lone 0 49 - 1 - HG2 GLN 122 - HB3 GLN 100 lone 0 63 - 0 - Peak 4894 from cnoeabs.peaks (2.19, 2.04, 29.26 ppm; 2.40 A): 2 out of 2 assignments used, quality = 0.88: HB2 GLN 85 + HB3 GLN 85 OK 78 78 - 100 - 1.8=100 HB2 GLU 98 + HB3 GLU 98 OK 48 48 - 100 - 1.8=100 Reference assignment not found: HG3 GLU 66 - HB2 GLU 66 Peak 4895 from cnoeabs.peaks (7.80, 2.09, 29.26 ppm; 3.47 A): 1 out of 8 assignments used, quality = 0.96: * H GLU 66 + HB3 GLU 66 OK 96 100 - 96 - 3.7=85, 4901/3.0=21...(15) H GLU 66 - HB3 GLU 69 OK 30 92 - 33 - 1435=9, ~8133=6...(10) H GLU 66 - HB2 GLU 112 poor 9 84 - 11 - 1435=3, 1435/1.8=2 H GLU 66 - HB3 GLU 112 poor 8 80 - 10 - 1435=3, 1435/1.8=2 H LYS 96 - HB3 GLU 66 lone 6 70 - 8 - 4907/3.0=2, 3.6/8114=2...(5) H LYS 96 - HB3 GLU 69 lone 1 59 - 1 - H LYS 96 - HB2 GLU 112 lone 0 52 - 1 - H LYS 96 - HB3 GLU 112 lone 0 49 - 1 - Peak 4896 from cnoeabs.peaks (4.03, 2.09, 29.26 ppm; 2.80 A): 1 out of 48 assignments used, quality = 0.93: * HA GLU 66 + HB3 GLU 66 OK 93 100 - 93 - 3.0=81, 4902/3.0=12...(20) HA GLU 66 - HB3 GLU 69 OK 27 92 - 30 - 8133/1.8=8, 8134=5...(9) HA GLU 92 - HB3 GLU 69 OK 13 88 - 15 - 8133/1.8=4, 8134=2...(4) HA LYS 123 - HB3 GLU 66 lone 10 100 - 10 - 3.0/7633=2, 4902/3.0=2...(5) HA GLU 92 - HB3 GLU 66 lone 7 98 - 7 - 4908/3.0=1, 4902/3.0=1, 4886=1 HA LYS 123 - HB3 GLU 69 lone 7 92 - 7 - 8133/1.8=2, 2107/4.0=2, 8134=1 HA GLU 87 - HB3 GLU 66 lone 6 94 - 7 - 4908/3.0=1, 4902/3.0=1 HA GLU 66 - HB2 GLU 112 lone 6 84 - 6 - 8134=1, 2.9/1435=1 HA GLU 66 - HB3 GLU 112 lone 5 80 - 6 - 8134=1, 2.9/1435=1 HA PHE 120 - HB3 GLU 66 lone 5 99 - 5 - 8296/4.1=1 HA LYS 40 - HB3 GLU 69 lone 3 91 - 3 - HA GLU 119 - HB2 GLU 112 lone 2 84 - 3 - HA GLU 119 - HB3 GLU 112 lone 2 80 - 3 - HA PHE 120 - HB3 GLU 69 lone 2 91 - 2 - HA GLU 87 - HB3 GLU 69 lone 2 83 - 2 - HA PHE 120 - HB2 GLU 112 lone 2 82 - 2 - HA PHE 120 - HB3 GLU 112 lone 2 78 - 2 - HA GLU 119 - HB3 GLU 69 lone 1 92 - 2 - HA GLU 119 - HB3 GLU 66 lone 1 100 - 1 - HA GLU 13 - HB3 GLU 69 lone 1 92 - 1 - HA GLU 13 - HB3 GLU 66 lone 1 100 - 1 - HA GLU 87 - HB2 GLU 112 lone 1 75 - 1 - HB3 SER 126 - HB3 GLU 66 lone 1 99 - 1 - HA LYS 123 - HB2 GLU 112 lone 1 84 - 1 - HB2 SER 126 - HB3 GLU 66 lone 1 100 - 1 - HA GLU 87 - HB3 GLU 112 lone 1 71 - 1 - HA LYS 123 - HB3 GLU 112 lone 1 80 - 1 - HA LYS 40 - HB3 GLU 66 lone 1 99 - 1 - HB3 SER 126 - HB3 GLU 69 lone 1 91 - 1 - HB2 SER 126 - HB3 GLU 69 lone 1 91 - 1 - HA GLU 92 - HB2 GLU 112 lone 1 80 - 1 - HA GLU 92 - HB3 GLU 112 lone 1 76 - 1 - HA3 GLY 101 - HB3 GLU 69 lone 0 59 - 1 - HA GLU 13 - HB2 GLU 112 lone 0 84 - 0 - HA LYS 40 - HB2 GLU 112 lone 0 82 - 0 - HA GLU 13 - HB3 GLU 112 lone 0 80 - 0 - HA LYS 40 - HB3 GLU 112 lone 0 78 - 0 - HA3 GLY 75 - HB3 GLU 69 lone 0 69 - 0 - HA3 GLY 75 - HB3 GLU 66 lone 0 81 - 0 - HA3 GLY 101 - HB3 GLU 66 lone 0 70 - 0 - HA3 GLY 101 - HB2 GLU 112 lone 0 52 - 0 - HB2 SER 126 - HB2 GLU 112 lone 0 83 - 0 - HB3 SER 126 - HB2 GLU 112 lone 0 82 - 0 - HB2 SER 126 - HB3 GLU 112 lone 0 79 - 0 - HB3 SER 126 - HB3 GLU 112 lone 0 78 - 0 - HA3 GLY 101 - HB3 GLU 112 lone 0 49 - 0 - HA3 GLY 75 - HB2 GLU 112 lone 0 61 - 0 - HA3 GLY 75 - HB3 GLU 112 lone 0 58 - 0 - Peak 4897 from cnoeabs.peaks (2.04, 2.09, 29.26 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 66 + HB3 GLU 66 OK 100 100 - 100 - 1.8=100 Peak 4898 from cnoeabs.peaks (2.09, 2.09, 29.26 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 GLU 66 + HB3 GLU 66 OK 100 100 - 100 HB3 GLU 69 + HB3 GLU 69 OK 91 91 - 100 HB2 GLU 112 + HB2 GLU 112 OK 75 75 - 100 HB3 GLU 112 + HB3 GLU 112 OK 68 68 - 100 Peak 4899 from cnoeabs.peaks (2.39, 2.09, 29.26 ppm; 2.98 A): 1 out of 32 assignments used, quality = 1.00: * HG2 GLU 66 + HB3 GLU 66 OK 100 100 - 100 - 3.0=99, 1.8/4910=28...(20) HG2 GLU 66 - HB3 GLU 69 OK 19 92 - 21 - 4904=6, 1.8/4910=4...(5) HG3 MET 67 - HB3 GLU 66 OK 19 99 - 19 - 4941/4.1=6, 1436/3.7=3...(5) HG3 GLN 85 - HB3 GLU 66 poor 8 81 - 10 - 1436/3.7=1, 4887/3.0=1 HG2 GLU 66 - HB2 GLU 112 lone 8 84 - 9 - 4904=2, 4904/1.8=2, 1.8/4910=1 HG2 GLN 85 - HB3 GLU 66 poor 7 73 - 10 - HG2 GLU 66 - HB3 GLU 112 lone 7 80 - 9 - 4904=2, 4904/1.8=2, 1.8/4910=1 HG2 GLN 122 - HB3 GLU 66 lone 5 77 - 7 - 3.9/8114=1 HG2 GLU 98 - HB3 GLU 66 lone 4 81 - 5 - HG3 MET 67 - HB3 GLU 69 lone 3 91 - 4 - 5.1/411=2 HG2 GLN 25 - HB3 GLU 66 lone 1 96 - 1 - HG2 GLU 98 - HB3 GLU 69 lone 1 69 - 1 - HG3 MET 67 - HB2 GLU 112 lone 1 82 - 1 - HB3 TYR 27 - HB3 GLU 66 lone 1 61 - 1 - HG3 MET 67 - HB3 GLU 112 lone 1 78 - 1 - HG2 GLN 25 - HB2 GLU 112 lone 1 77 - 1 - HG2 GLN 25 - HB3 GLU 112 lone 1 73 - 1 - HG2 GLN 25 - HB3 GLU 69 lone 1 85 - 1 - HG3 GLN 85 - HB3 GLU 69 lone 1 69 - 1 - HG2 GLN 122 - HB3 GLU 69 lone 1 66 - 1 - HG2 GLN 85 - HB3 GLU 69 lone 1 63 - 1 - HG3 GLN 85 - HB2 GLU 112 lone 1 61 - 1 - HG3 GLN 85 - HB3 GLU 112 lone 0 58 - 1 - HG2 GLN 85 - HB2 GLU 112 lone 0 55 - 1 - HG2 GLN 85 - HB3 GLU 112 lone 0 52 - 1 - HG2 GLN 122 - HB2 GLU 112 lone 0 58 - 1 - HG2 GLN 122 - HB3 GLU 112 lone 0 55 - 1 - HG2 GLU 98 - HB2 GLU 112 lone 0 61 - 0 - HG2 GLU 98 - HB3 GLU 112 lone 0 58 - 0 - HB3 TYR 27 - HB3 GLU 69 lone 0 52 - 0 - HB3 TYR 27 - HB2 GLU 112 lone 0 45 - 0 - HB3 TYR 27 - HB3 GLU 112 lone 0 42 - 0 - Peak 4900 from cnoeabs.peaks (2.19, 2.09, 29.26 ppm; 2.40 A): 1 out of 1 assignment used, quality = 0.69: HB2 GLU 69 + HB3 GLU 69 OK 69 69 - 100 - 1.8=100 Reference assignment not found: HG3 GLU 66 - HB3 GLU 66 Peak 4901 from cnoeabs.peaks (7.80, 2.39, 36.01 ppm; 3.93 A): 1 out of 2 assignments used, quality = 0.94: * H GLU 66 + HG2 GLU 66 OK 94 100 - 94 - 4.9=52, 4907/1.8=32...(19) H LYS 96 - HG2 GLU 66 poor 7 70 - 10 - 4907/1.8=3, 3.6/11070=2...(5) Peak 4902 from cnoeabs.peaks (4.03, 2.39, 36.01 ppm; 3.37 A): 2 out of 12 assignments used, quality = 0.95: * HA GLU 66 + HG2 GLU 66 OK 94 100 - 94 - 3.7=73, 2.9/4901=20...(15) HA LYS 123 + HG2 GLU 66 OK 12 100 - 12 - 4908/1.8=3, ~7635=2...(6) HA GLU 92 - HG2 GLU 66 lone 9 98 - 9 - 4908/1.8=2, 4887=2...(4) HA GLU 87 - HG2 GLU 66 lone 9 94 - 10 - 4908/1.8=2, 3.0/4904=2, ~4910=1 HA PHE 120 - HG2 GLU 66 lone 5 99 - 5 - 8296/5.0=2, 4908/1.8=1 HA GLU 119 - HG2 GLU 66 lone 2 100 - 2 - HB2 SER 126 - HG2 GLU 66 lone 2 100 - 1 - HB3 SER 126 - HG2 GLU 66 lone 1 99 - 1 - HA GLU 13 - HG2 GLU 66 lone 1 100 - 1 - HA LYS 40 - HG2 GLU 66 lone 1 99 - 1 - HA3 GLY 75 - HG2 GLU 66 lone 0 81 - 0 - HA3 GLY 101 - HG2 GLU 66 lone 0 70 - 0 - Peak 4903 from cnoeabs.peaks (2.04, 2.39, 36.01 ppm; 3.03 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 66 + HG2 GLU 66 OK 100 100 - 100 - 3.0=100 Peak 4904 from cnoeabs.peaks (2.09, 2.39, 36.01 ppm; 2.87 A): 1 out of 15 assignments used, quality = 0.96: * HB3 GLU 66 + HG2 GLU 66 OK 96 100 - 96 - 3.0=88, 4910/1.8=27...(18) HB3 GLU 69 - HG2 GLU 66 OK 18 99 - 19 - 4899=4, 4910/1.8=4...(5) HB2 GLU 87 - HG2 GLU 66 OK 10 100 - 10 - 4910/1.8=3, 3.0/4902=1 HB2 GLU 112 - HG2 GLU 66 lone 7 94 - 8 - 4899=2, 4910/1.8=1, 1.8/4899=1 HB3 GLU 92 - HG2 GLU 66 lone 7 81 - 9 - 4910/1.8=2, 3.0/4902=1 HB3 GLU 112 - HG2 GLU 66 lone 7 92 - 7 - 4899=2, 1.8/4899=1, 4910/1.8=1 HB2 GLU 111 - HG2 GLU 66 lone 2 98 - 2 - HB3 MET 121 - HG2 GLU 66 lone 1 73 - 2 - HB2 GLU 103 - HG2 GLU 66 lone 1 98 - 1 - HG2 GLU 119 - HG2 GLU 66 lone 1 70 - 1 - HG3 GLU 21 - HG2 GLU 66 lone 1 90 - 1 - HG2 GLU 21 - HG2 GLU 66 lone 1 84 - 1 - HG2 GLU 52 - HG2 GLU 66 lone 1 97 - 1 - HB3 PHE 79 - HG2 GLU 66 lone 0 65 - 1 - HB3 GLU 47 - HG2 GLU 66 lone 0 70 - 0 - Peak 4905 from cnoeabs.peaks (2.39, 2.39, 36.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 66 + HG2 GLU 66 OK 100 100 - 100 Peak 4906 from cnoeabs.peaks (2.19, 2.39, 36.01 ppm; 2.60 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 66 + HG2 GLU 66 OK 100 100 - 100 - 1.8=100 Peak 4907 from cnoeabs.peaks (7.80, 2.19, 36.01 ppm; 4.09 A): 1 out of 2 assignments used, quality = 0.95: * H GLU 66 + HG3 GLU 66 OK 95 100 - 95 - 4.9=59, 4901/1.8=37...(18) H LYS 96 - HG3 GLU 66 poor 9 70 - 13 - 3.6/8219=5, 4901/1.8=3...(5) Peak 4908 from cnoeabs.peaks (4.03, 2.19, 36.01 ppm; 3.67 A): 1 out of 12 assignments used, quality = 0.99: * HA GLU 66 + HG3 GLU 66 OK 99 100 - 99 - 3.7=95, 4902/1.8=28...(18) HA LYS 123 - HG3 GLU 66 OK 15 100 - 16 - 3.0/7635=4, 4902/1.8=4...(6) HA GLU 92 - HG3 GLU 66 OK 12 98 - 13 - 4902/1.8=3, 4888=2...(5) HA GLU 87 - HG3 GLU 66 OK 12 94 - 13 - 4902/1.8=3, 3.0/4910=3...(5) HA PHE 120 - HG3 GLU 66 lone 7 99 - 7 - 8296/5.0=2, 4902/1.8=2 HA GLU 119 - HG3 GLU 66 lone 2 100 - 2 - HB2 SER 126 - HG3 GLU 66 lone 2 100 - 2 - HB3 SER 126 - HG3 GLU 66 lone 2 99 - 2 - HA GLU 13 - HG3 GLU 66 lone 2 100 - 2 - HA LYS 40 - HG3 GLU 66 lone 2 99 - 2 - HA3 GLY 75 - HG3 GLU 66 lone 0 81 - 1 - HA3 GLY 101 - HG3 GLU 66 lone 0 70 - 1 - Peak 4909 from cnoeabs.peaks (2.04, 2.19, 36.01 ppm; 2.80 A): 1 out of 17 assignments used, quality = 0.94: * HB2 GLU 66 + HG3 GLU 66 OK 94 100 - 94 - 3.0=82, 1.8/4910=26...(17) HB3 MET 67 - HG3 GLU 66 OK 12 94 - 13 - 4.0/7635=5, 1434/4.9=2...(4) HB2 GLU 89 - HG3 GLU 66 lone 9 100 - 9 - 3.0/11069=1 HB3 GLU 89 - HG3 GLU 66 lone 9 100 - 9 - 3.0/11069=1 HB3 GLU 87 - HG3 GLU 66 lone 8 100 - 8 - 1.8/4910=3, 3.0/4908=1, ~4904=1 HB2 GLU 92 - HG3 GLU 66 lone 7 84 - 9 - 1.8/4910=2, 3.0/4908=1 HB3 GLN 85 - HG3 GLU 66 lone 5 100 - 5 - HB3 GLU 98 - HG3 GLU 66 lone 5 84 - 6 - HB VAL 117 - HG3 GLU 66 lone 3 97 - 3 - HB3 GLN 100 - HG3 GLU 66 lone 2 96 - 2 - HB3 GLU 111 - HG3 GLU 66 lone 1 70 - 2 - HB2 MET 1 - HG3 GLU 66 lone 1 92 - 1 - HG3 GLU 52 - HG3 GLU 66 lone 1 99 - 1 - HB2 GLU 48 - HG3 GLU 66 lone 0 100 - 0 - HB3 GLU 48 - HG3 GLU 66 lone 0 100 - 0 - HB2 GLN 25 - HG3 GLU 66 lone 0 61 - 1 - HB2 GLU 47 - HG3 GLU 66 lone 0 73 - 0 - Peak 4910 from cnoeabs.peaks (2.09, 2.19, 36.01 ppm; 2.49 A): 2 out of 15 assignments used, quality = 0.84: * HB3 GLU 66 + HG3 GLU 66 OK 82 100 - 82 - 3.0=58, 4904/1.8=16...(19) HB3 GLU 69 + HG3 GLU 66 OK 11 99 - 12 - 4904/1.8=3, 8135/3.7=2...(4) HB2 GLU 87 - HG3 GLU 66 lone 8 100 - 8 - 4904/1.8=2, 1.8/4909=1 HB3 GLU 92 - HG3 GLU 66 lone 5 81 - 7 - 1.8/4909=1, 4904/1.8=1 HB2 GLU 112 - HG3 GLU 66 lone 4 94 - 4 - 4904/1.8=1 HB3 GLU 112 - HG3 GLU 66 lone 4 92 - 4 - 4904/1.8=1 HB2 GLU 111 - HG3 GLU 66 lone 2 98 - 1 - HB3 MET 121 - HG3 GLU 66 lone 1 73 - 1 - HB2 GLU 103 - HG3 GLU 66 lone 0 98 - 0 - HG3 GLU 21 - HG3 GLU 66 lone 0 90 - 0 - HG2 GLU 52 - HG3 GLU 66 lone 0 97 - 0 - HG2 GLU 21 - HG3 GLU 66 lone 0 84 - 0 - HG2 GLU 119 - HG3 GLU 66 lone 0 70 - 1 - HB3 PHE 79 - HG3 GLU 66 lone 0 65 - 0 - HB3 GLU 47 - HG3 GLU 66 lone 0 70 - 0 - Peak 4911 from cnoeabs.peaks (2.39, 2.19, 36.01 ppm; 2.55 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 66 + HG3 GLU 66 OK 100 100 - 100 - 1.8=100 Peak 4912 from cnoeabs.peaks (2.19, 2.19, 36.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 66 + HG3 GLU 66 OK 100 100 - 100 Peak 4913 from cnoeabs.peaks (8.39, 3.95, 59.96 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * H MET 67 + HA MET 67 OK 100 100 - 100 - 2.9=100 Peak 4914 from cnoeabs.peaks (3.95, 3.95, 59.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA MET 67 + HA MET 67 OK 100 100 - 100 Peak 4915 from cnoeabs.peaks (2.20, 3.95, 59.96 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 67 + HA MET 67 OK 100 100 - 100 - 3.0=100 Peak 4916 from cnoeabs.peaks (2.05, 3.95, 59.96 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 67 + HA MET 67 OK 100 100 - 100 - 3.0=100 Peak 4917 from cnoeabs.peaks (2.57, 3.95, 59.96 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 67 + HA MET 67 OK 100 100 - 100 - 3.7=100 Peak 4918 from cnoeabs.peaks (2.40, 3.95, 59.96 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 67 + HA MET 67 OK 100 100 - 100 - 3.7=100 Peak 4919 from cnoeabs.peaks (1.88, 3.95, 59.96 ppm; 3.66 A): 4 out of 16 assignments used, quality = 0.92: * QE MET 67 + HA MET 67 OK 81 100 - 81 - 4949=42, 4950/3.0=19...(11) QE MET 42 + HA MET 67 OK 28 81 - 35 - 9424=12, 9427/3.7=9...(9) HB2 LEU 63 + HA MET 67 OK 27 94 - 29 - 9675/3.7=5, 4933/3.0=5...(11) HB ILE 71 + HA MET 67 OK 24 73 - 33 - 3.9/8143=9, 3.2/9783=6...(8) HB3 LYS 73 - HA MET 67 lone 6 81 - 8 - 4.0/8138=3 HB2 LYS 73 - HA MET 67 lone 6 77 - 8 - 4.0/8138=3 HG LEU 45 - HA MET 67 lone 6 100 - 6 - 4.9/2105=1 HB3 ARG 118 - HA MET 67 lone 3 94 - 4 - HG2 ARG 95 - HA MET 67 lone 3 99 - 3 - HB ILE 7 - HA MET 67 lone 3 87 - 3 - HB2 ARG 95 - HA MET 67 lone 2 70 - 3 - HB2 LYS 16 - HA MET 67 lone 2 100 - 2 - HB3 LYS 16 - HA MET 67 lone 2 100 - 2 - HB3 LYS 20 - HA MET 67 lone 2 92 - 2 - HB2 LYS 20 - HA MET 67 lone 2 92 - 2 - HB2 LYS 49 - HA MET 67 lone 1 61 - 1 - Peak 4920 from cnoeabs.peaks (8.39, 2.20, 33.44 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * H MET 67 + HB2 MET 67 OK 100 100 - 100 - 4.0=100 Peak 4921 from cnoeabs.peaks (3.95, 2.20, 33.44 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 67 + HB2 MET 67 OK 100 100 - 100 - 3.0=100 Peak 4922 from cnoeabs.peaks (2.20, 2.20, 33.44 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 MET 67 + HB2 MET 67 OK 100 100 - 100 HG3 GLN 28 + HG3 GLN 28 OK 63 63 - 100 HB3 MET 1 + HB3 MET 1 OK 58 58 - 100 Peak 4923 from cnoeabs.peaks (2.05, 2.20, 33.44 ppm; 2.71 A): 1 out of 2 assignments used, quality = 1.00: * HB3 MET 67 + HB2 MET 67 OK 100 100 - 100 - 1.8=100 HB2 MET 1 - HB3 MET 1 OK 30 30 - 100 - 1.8=100 Peak 4924 from cnoeabs.peaks (2.57, 2.20, 33.44 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 67 + HB2 MET 67 OK 100 100 - 100 - 3.0=100 Peak 4925 from cnoeabs.peaks (2.40, 2.20, 33.44 ppm; 3.47 A): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 67 + HB2 MET 67 OK 100 100 - 100 - 3.0=100 Peak 4926 from cnoeabs.peaks (1.88, 2.20, 33.44 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: * QE MET 67 + HB2 MET 67 OK 100 100 - 100 - 4.3=100 Peak 4927 from cnoeabs.peaks (8.39, 2.05, 33.44 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * H MET 67 + HB3 MET 67 OK 100 100 - 100 - 4.0=100 Peak 4928 from cnoeabs.peaks (3.95, 2.05, 33.44 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 67 + HB3 MET 67 OK 100 100 - 100 - 3.0=100 Peak 4929 from cnoeabs.peaks (2.20, 2.05, 33.44 ppm; 2.80 A): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 67 + HB3 MET 67 OK 100 100 - 100 - 1.8=100 Peak 4930 from cnoeabs.peaks (2.05, 2.05, 33.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 67 + HB3 MET 67 OK 100 100 - 100 Peak 4931 from cnoeabs.peaks (2.57, 2.05, 33.44 ppm; 4.74 A): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 67 + HB3 MET 67 OK 100 100 - 100 - 3.0=100 Peak 4932 from cnoeabs.peaks (2.40, 2.05, 33.44 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 67 + HB3 MET 67 OK 100 100 - 100 - 3.0=100 Peak 4933 from cnoeabs.peaks (1.88, 2.05, 33.44 ppm; 3.93 A): 2 out of 16 assignments used, quality = 0.96: * QE MET 67 + HB3 MET 67 OK 93 100 - 93 - 4.3=78, 4950/1.8=28...(9) HB ILE 71 + HB3 MET 67 OK 44 73 - 61 - 3.2/9779=12, ~11078=12...(14) HB2 LEU 63 - HB3 MET 67 OK 44 94 - 47 - 9675/3.0=7, ~9677=5...(16) QE MET 42 - HB3 MET 67 OK 27 81 - 33 - 9424/3.0=12, 9427/3.0=12...(6) HG LEU 45 - HB3 MET 67 lone 7 100 - 7 - 2.1/9708=1 HB3 ARG 118 - HB3 MET 67 lone 5 94 - 5 - 3.0/8121=1 HB ILE 7 - HB3 MET 67 lone 4 87 - 5 - 3.2/9708=2 HB3 LYS 73 - HB3 MET 67 lone 4 81 - 4 - 4919/3.0=1 HB2 LYS 73 - HB3 MET 67 lone 3 77 - 4 - HG2 ARG 95 - HB3 MET 67 lone 3 99 - 3 - HB2 ARG 95 - HB3 MET 67 lone 2 70 - 3 - HB2 LYS 20 - HB3 MET 67 lone 2 92 - 2 - HB3 LYS 20 - HB3 MET 67 lone 2 92 - 2 - HB2 LYS 16 - HB3 MET 67 lone 2 100 - 2 - HB3 LYS 16 - HB3 MET 67 lone 2 100 - 2 - HB2 LYS 49 - HB3 MET 67 lone 0 61 - 1 - Peak 4934 from cnoeabs.peaks (8.39, 2.57, 32.07 ppm; 4.42 A): 3 out of 5 assignments used, quality = 0.92: * H MET 67 + HG2 MET 67 OK 89 100 - 89 - 5.1=65, 4948/3.3=21...(10) H ASP 36 + HG2 MET 67 OK 15 98 - 16 - 4948/3.3=5, 4941/1.8=4...(4) H LYS 123 + HG2 MET 67 OK 11 98 - 12 - 4941/1.8=5, 4948/3.3=3 H ASP 31 - HG2 MET 67 lone 2 70 - 4 - 4948/3.3=1 H PHE 79 - HG2 MET 67 lone 1 57 - 2 - Peak 4935 from cnoeabs.peaks (3.95, 2.57, 32.07 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 67 + HG2 MET 67 OK 100 100 - 100 - 3.7=100 Peak 4936 from cnoeabs.peaks (2.20, 2.57, 32.07 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 67 + HG2 MET 67 OK 100 100 - 100 - 3.0=100 Peak 4937 from cnoeabs.peaks (2.05, 2.57, 32.07 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 67 + HG2 MET 67 OK 100 100 - 100 - 3.0=100 Peak 4938 from cnoeabs.peaks (2.57, 2.57, 32.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 67 + HG2 MET 67 OK 100 100 - 100 Peak 4939 from cnoeabs.peaks (2.40, 2.57, 32.07 ppm; 2.91 A): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 67 + HG2 MET 67 OK 100 100 - 100 - 1.8=100 Peak 4940 from cnoeabs.peaks (1.88, 2.57, 32.07 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * QE MET 67 + HG2 MET 67 OK 100 100 - 100 - 3.3=100 Peak 4941 from cnoeabs.peaks (8.39, 2.40, 32.07 ppm; 5.08 A): 1 out of 5 assignments used, quality = 1.00: * H MET 67 + HG3 MET 67 OK 100 100 - 100 - 5.1=98, 1442/1.8=45...(17) H LYS 123 - HG3 MET 67 OK 23 98 - 24 - 4934/1.8=4, 780=4...(8) H ASP 36 - HG3 MET 67 OK 21 98 - 21 - 4934/1.8=6, 4948/3.3=6...(6) H ASP 31 - HG3 MET 67 lone 4 70 - 6 - 4948/3.3=1, 4.6/9716=1 H PHE 79 - HG3 MET 67 lone 2 57 - 3 - Peak 4942 from cnoeabs.peaks (3.95, 2.40, 32.07 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 67 + HG3 MET 67 OK 100 100 - 100 - 3.7=100 Peak 4943 from cnoeabs.peaks (2.20, 2.40, 32.07 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 67 + HG3 MET 67 OK 100 100 - 100 - 3.0=100 Peak 4944 from cnoeabs.peaks (2.05, 2.40, 32.07 ppm; 4.42 A): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 67 + HG3 MET 67 OK 100 100 - 100 - 3.0=100 Peak 4945 from cnoeabs.peaks (2.57, 2.40, 32.07 ppm; 2.89 A): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 67 + HG3 MET 67 OK 100 100 - 100 - 1.8=100 Peak 4946 from cnoeabs.peaks (2.40, 2.40, 32.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 67 + HG3 MET 67 OK 100 100 - 100 Peak 4947 from cnoeabs.peaks (1.88, 2.40, 32.07 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * QE MET 67 + HG3 MET 67 OK 100 100 - 100 - 3.3=100 Peak 4948 from cnoeabs.peaks (8.39, 1.88, 16.76 ppm; 4.33 A): 3 out of 5 assignments used, quality = 0.93: * H MET 67 + QE MET 67 OK 90 100 - 90 - 6.2=34, 2.9/4949=32...(17) H ASP 36 + QE MET 67 OK 20 98 - 20 - 4934/3.3=4, 4.4/9729=3...(8) H LYS 123 + QE MET 67 OK 11 98 - 11 - 4941/3.3=4, 4934/3.3=3 H ASP 31 - QE MET 67 lone 4 70 - 6 - 4.6/9722=3 H PHE 79 - QE MET 67 lone 2 57 - 3 - Peak 4949 from cnoeabs.peaks (3.95, 1.88, 16.76 ppm; 3.62 A): 1 out of 5 assignments used, quality = 0.76: * HA MET 67 + QE MET 67 OK 76 100 - 76 - 5.4=30, 3.0/4950=19...(11) HB3 SER 35 - QE MET 67 lone 9 100 - 9 - 1.8/9729=5, 4.4/4948=2 HA ILE 97 - QE MET 67 lone 3 92 - 4 - 10111/4.3=1 HA GLU 21 - QE MET 67 lone 1 77 - 1 - HA MET 121 - QE MET 67 lone 0 70 - 1 - Peak 4950 from cnoeabs.peaks (2.20, 1.88, 16.76 ppm; 3.49 A): 3 out of 9 assignments used, quality = 0.85: * HB2 MET 67 + QE MET 67 OK 80 100 - 80 - 4.3=55, 3.0/4949=22...(6) HG3 GLU 66 + QE MET 67 OK 15 73 - 20 - 5.0/4948=9, 3.0/4951=5...(5) HB2 GLU 69 + QE MET 67 OK 11 100 - 11 - 4.0/9736=6, 11120/5.4=2...(4) HB2 GLN 100 - QE MET 67 lone 8 97 - 9 - 11120/5.4=3, 1.8/4951=2 HB2 MET 42 - QE MET 67 lone 2 87 - 3 - HB2 GLN 83 - QE MET 67 lone 2 94 - 2 - HB3 MET 1 - QE MET 67 lone 1 99 - 1 - HG3 GLN 28 - QE MET 67 lone 1 100 - 1 - HG2 GLU 48 - QE MET 67 lone 1 100 - 1 - Peak 4951 from cnoeabs.peaks (2.05, 1.88, 16.76 ppm; 3.57 A): 2 out of 17 assignments used, quality = 0.87: * HB3 MET 67 + QE MET 67 OK 83 100 - 83 - 4.3=59, 1.8/4950=24...(8) HB2 GLU 66 + QE MET 67 OK 25 94 - 27 - 4.1/4948=12, 3.0/4950=3...(8) HB3 GLN 100 - QE MET 67 lone 8 100 - 8 - 1.8/4950=3, 11121/5.4=2 HB VAL 117 - QE MET 67 lone 7 100 - 7 - 2.1/9724=3 HB3 GLN 85 - QE MET 67 lone 3 94 - 3 - HB3 GLU 98 - QE MET 67 lone 2 99 - 2 - HB2 GLU 92 - QE MET 67 lone 2 99 - 2 - HB2 GLU 89 - QE MET 67 lone 1 94 - 1 - HB3 GLU 89 - QE MET 67 lone 1 94 - 1 - HB3 GLU 87 - QE MET 67 lone 1 94 - 1 - HG3 GLU 52 - QE MET 67 lone 1 99 - 1 - HB2 GLU 13 - QE MET 67 lone 1 77 - 1 - HB2 GLU 48 - QE MET 67 lone 1 94 - 1 - HB3 GLU 48 - QE MET 67 lone 1 94 - 1 - HB2 GLU 47 - QE MET 67 lone 1 97 - 1 - HB2 GLN 28 - QE MET 67 lone 1 84 - 1 - HB2 MET 1 - QE MET 67 lone 1 61 - 1 - Peak 4952 from cnoeabs.peaks (2.57, 1.88, 16.76 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 67 + QE MET 67 OK 100 100 - 100 - 3.3=100 Peak 4953 from cnoeabs.peaks (2.40, 1.88, 16.76 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 67 + QE MET 67 OK 100 100 - 100 - 3.3=100 Peak 4954 from cnoeabs.peaks (1.88, 1.88, 16.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE MET 67 + QE MET 67 OK 100 100 - 100 Peak 4955 from cnoeabs.peaks (8.47, 3.78, 57.94 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 68 + HA LEU 68 OK 100 100 - 100 - 3.0=100 Peak 4956 from cnoeabs.peaks (3.78, 3.78, 57.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 68 + HA LEU 68 OK 100 100 - 100 Peak 4957 from cnoeabs.peaks (1.75, 3.78, 57.94 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 68 + HA LEU 68 OK 100 100 - 100 - 2.9=100 Peak 4958 from cnoeabs.peaks (1.38, 3.78, 57.94 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 68 + HA LEU 68 OK 100 100 - 100 - 2.9=100 Peak 4959 from cnoeabs.peaks (1.59, 3.78, 57.94 ppm; 4.20 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 68 + HA LEU 68 OK 100 100 - 100 - 3.7=100 Peak 4960 from cnoeabs.peaks (0.51, 3.78, 57.94 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 68 + HA LEU 68 OK 100 100 - 100 - 4.0=100 Peak 4961 from cnoeabs.peaks (0.38, 3.78, 57.94 ppm; 3.40 A): 1 out of 1 assignment used, quality = 0.88: * QD2 LEU 68 + HA LEU 68 OK 88 100 - 88 - 4.0=61, 1451/3.0=21...(15) Peak 4962 from cnoeabs.peaks (8.47, 1.75, 40.88 ppm; 3.84 A): 1 out of 2 assignments used, quality = 0.98: * H LEU 68 + HB2 LEU 68 OK 98 100 - 98 - 4.0=87, 1448/1.8=35...(10) H LEU 68 - HB2 LEU 114 poor 8 71 - 11 - 1447=3, 1448/1.8=2...(5) Peak 4963 from cnoeabs.peaks (3.78, 1.75, 40.88 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 68 + HB2 LEU 68 OK 100 100 - 100 - 2.9=100 Peak 4964 from cnoeabs.peaks (1.75, 1.75, 40.88 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 68 + HB2 LEU 68 OK 100 100 - 100 HB2 LEU 114 + HB2 LEU 114 OK 56 56 - 100 Peak 4965 from cnoeabs.peaks (1.38, 1.75, 40.88 ppm; 2.79 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 68 + HB2 LEU 68 OK 100 100 - 100 - 1.8=100 HB3 LEU 114 + HB2 LEU 114 OK 45 45 - 100 - 1.8=100 Peak 4966 from cnoeabs.peaks (1.59, 1.75, 40.88 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 68 + HB2 LEU 68 OK 100 100 - 100 - 3.0=100 Peak 4967 from cnoeabs.peaks (0.51, 1.75, 40.88 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 68 + HB2 LEU 68 OK 100 100 - 100 - 3.1=100 Peak 4968 from cnoeabs.peaks (0.38, 1.75, 40.88 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 68 + HB2 LEU 68 OK 100 100 - 100 - 3.1=100 Peak 4969 from cnoeabs.peaks (8.47, 1.38, 40.88 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 68 + HB3 LEU 68 OK 100 100 - 100 - 4.0=100 Peak 4970 from cnoeabs.peaks (3.78, 1.38, 40.88 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 68 + HB3 LEU 68 OK 100 100 - 100 - 2.9=100 Peak 4971 from cnoeabs.peaks (1.75, 1.38, 40.88 ppm; 2.79 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 68 + HB3 LEU 68 OK 100 100 - 100 - 1.8=100 Peak 4972 from cnoeabs.peaks (1.38, 1.38, 40.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 68 + HB3 LEU 68 OK 100 100 - 100 Peak 4973 from cnoeabs.peaks (1.59, 1.38, 40.88 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 68 + HB3 LEU 68 OK 100 100 - 100 - 3.0=100 Peak 4974 from cnoeabs.peaks (0.51, 1.38, 40.88 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 68 + HB3 LEU 68 OK 100 100 - 100 - 3.1=100 Peak 4975 from cnoeabs.peaks (0.38, 1.38, 40.88 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 68 + HB3 LEU 68 OK 100 100 - 100 - 3.1=100 Peak 4976 from cnoeabs.peaks (8.47, 1.59, 26.45 ppm; 4.01 A): 1 out of 1 assignment used, quality = 0.94: * H LEU 68 + HG LEU 68 OK 94 100 - 94 - 5.3=43, 1450/2.1=37...(12) Peak 4977 from cnoeabs.peaks (3.78, 1.59, 26.45 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 68 + HG LEU 68 OK 100 100 - 100 - 3.7=100 Peak 4978 from cnoeabs.peaks (1.75, 1.59, 26.45 ppm; 3.13 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 68 + HG LEU 68 OK 100 100 - 100 - 3.0=100 Peak 4979 from cnoeabs.peaks (1.38, 1.59, 26.45 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 68 + HG LEU 68 OK 100 100 - 100 - 3.0=100 Peak 4980 from cnoeabs.peaks (1.59, 1.59, 26.45 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 68 + HG LEU 68 OK 100 100 - 100 Peak 4981 from cnoeabs.peaks (0.51, 1.59, 26.45 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 68 + HG LEU 68 OK 100 100 - 100 - 2.1=100 Peak 4982 from cnoeabs.peaks (0.38, 1.59, 26.45 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 68 + HG LEU 68 OK 100 100 - 100 - 2.1=100 Peak 4983 from cnoeabs.peaks (8.47, 0.51, 25.27 ppm; 5.08 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 68 + QD1 LEU 68 OK 100 100 - 100 - 4.8=100 Peak 4984 from cnoeabs.peaks (3.78, 0.51, 25.27 ppm; 3.81 A): 1 out of 3 assignments used, quality = 0.98: * HA LEU 68 + QD1 LEU 68 OK 98 100 - 98 - 4.0=86, 4961/2.1=40...(16) HA LYS 65 - QD1 LEU 68 OK 31 77 - 41 - 8127/3.1=11, 8124/4.8=10...(6) HB2 SER 58 - QD1 LEU 68 OK 13 100 - 13 - 4991/2.1=4...(4) Peak 4985 from cnoeabs.peaks (1.75, 0.51, 25.27 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 68 + QD1 LEU 68 OK 100 100 - 100 - 3.1=100 Peak 4986 from cnoeabs.peaks (1.38, 0.51, 25.27 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 68 + QD1 LEU 68 OK 100 100 - 100 - 3.1=100 Peak 4987 from cnoeabs.peaks (1.59, 0.51, 25.27 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 68 + QD1 LEU 68 OK 100 100 - 100 - 2.1=100 Peak 4988 from cnoeabs.peaks (0.51, 0.51, 25.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 68 + QD1 LEU 68 OK 100 100 - 100 Peak 4989 from cnoeabs.peaks (0.38, 0.51, 25.27 ppm; 3.11 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 68 + QD1 LEU 68 OK 100 100 - 100 - 2.1=100 Peak 4990 from cnoeabs.peaks (8.47, 0.38, 23.07 ppm; 4.66 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 68 + QD2 LEU 68 OK 100 100 - 100 - 4.8=93, 1450/2.1=45...(12) Peak 4991 from cnoeabs.peaks (3.78, 0.38, 23.07 ppm; 3.37 A): 3 out of 3 assignments used, quality = 0.92: * HA LEU 68 + QD2 LEU 68 OK 87 100 - 87 - 4.0=60, 3.0/1451=21...(15) HA LYS 65 + QD2 LEU 68 OK 26 77 - 33 - 8127/3.1=9, 8124/4.8=7...(7) HB2 SER 58 + QD2 LEU 68 OK 13 100 - 13 - 4984/2.1=2, 9599/11269=2...(4) Peak 4992 from cnoeabs.peaks (1.75, 0.38, 23.07 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 68 + QD2 LEU 68 OK 100 100 - 100 - 3.1=100 Peak 4993 from cnoeabs.peaks (1.38, 0.38, 23.07 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 68 + QD2 LEU 68 OK 100 100 - 100 - 3.1=100 Peak 4994 from cnoeabs.peaks (1.59, 0.38, 23.07 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 68 + QD2 LEU 68 OK 100 100 - 100 - 2.1=100 Peak 4995 from cnoeabs.peaks (0.51, 0.38, 23.07 ppm; 3.11 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 68 + QD2 LEU 68 OK 100 100 - 100 - 2.1=100 Peak 4996 from cnoeabs.peaks (0.38, 0.38, 23.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 68 + QD2 LEU 68 OK 100 100 - 100 Peak 4997 from cnoeabs.peaks (7.63, 4.05, 59.42 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 69 + HA GLU 69 OK 100 100 - 100 - 2.9=100 Peak 4998 from cnoeabs.peaks (4.05, 4.05, 59.42 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA GLU 69 + HA GLU 69 OK 100 100 - 100 HA LYS 44 + HA LYS 44 OK 89 89 - 100 HA GLU 37 + HA GLU 37 OK 74 74 - 100 Peak 4999 from cnoeabs.peaks (2.20, 4.05, 59.42 ppm; 3.04 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 69 + HA GLU 69 OK 100 100 - 100 - 2.9=100 Peak 5000 from cnoeabs.peaks (2.09, 4.05, 59.42 ppm; 2.71 A): 2 out of 45 assignments used, quality = 0.94: * HB3 GLU 69 + HA GLU 69 OK 93 100 - 93 - 2.9=83, 3.0/5022=13...(18) HB3 GLU 66 + HA GLU 69 OK 22 99 - 22 - 5010=6, 1455/2.9=3...(8) HB2 GLU 112 - HA GLU 69 lone 6 99 - 6 - 5010=2, 1.8/5010=1 HB3 GLU 112 - HA GLU 69 lone 6 98 - 6 - 5010=2, 1.8/5010=1 HB3 GLU 92 - HA GLU 69 lone 6 65 - 10 - 3.0/5016=1 HB3 GLU 69 - HA GLU 37 lone 5 76 - 7 - 5010=2, 3.0/5022=2, 3.0/5016=1 HB2 GLU 111 - HA GLU 69 lone 5 92 - 6 - 3.0/5016=1 HB3 GLU 69 - HA LYS 44 lone 2 93 - 2 - HB2 LYS 94 - HA LYS 44 lone 1 52 - 3 - HB2 GLU 87 - HA GLU 69 lone 1 99 - 1 - HB2 LYS 94 - HA GLU 69 lone 1 61 - 2 - HB3 GLU 66 - HA GLU 37 lone 1 74 - 1 - HB2 GLU 111 - HA GLU 37 lone 1 64 - 2 - HB3 PHE 79 - HA GLU 69 lone 1 81 - 1 - HB2 GLU 112 - HA GLU 37 lone 1 73 - 1 - HB3 GLU 112 - HA GLU 37 lone 1 72 - 1 - HB3 GLU 66 - HA LYS 44 lone 1 91 - 1 - HB3 MET 121 - HA GLU 69 lone 1 87 - 1 - HB2 GLU 103 - HA GLU 69 lone 0 100 - 0 - HB2 GLU 112 - HA LYS 44 lone 0 90 - 0 - HB3 GLU 92 - HA GLU 37 lone 0 43 - 1 - HB3 GLU 112 - HA LYS 44 lone 0 89 - 0 - HG3 GLU 21 - HA GLU 69 lone 0 77 - 0 - HG2 GLU 119 - HA GLU 69 lone 0 84 - 0 - HG2 GLU 21 - HA GLU 69 lone 0 70 - 0 - HB2 GLU 87 - HA LYS 44 lone 0 90 - 0 - HG2 GLU 52 - HA GLU 69 lone 0 90 - 0 - HB3 GLU 92 - HA LYS 44 lone 0 56 - 0 - HB3 PHE 79 - HA GLU 37 lone 0 54 - 0 - HB2 GLU 111 - HA LYS 44 lone 0 81 - 0 - HB2 GLU 87 - HA GLU 37 lone 0 73 - 0 - HB2 LYS 94 - HA GLU 37 lone 0 40 - 1 - HB3 MET 121 - HA LYS 44 lone 0 76 - 0 - HB2 GLU 103 - HA LYS 44 lone 0 93 - 0 - HG2 GLU 52 - HA LYS 44 lone 0 79 - 0 - HB2 GLU 103 - HA GLU 37 lone 0 76 - 0 - HG2 GLU 119 - HA LYS 44 lone 0 73 - 0 - HG2 GLU 119 - HA GLU 37 lone 0 57 - 0 - HB3 PHE 79 - HA LYS 44 lone 0 70 - 0 - HG2 GLU 52 - HA GLU 37 lone 0 62 - 0 - HG3 GLU 21 - HA LYS 44 lone 0 67 - 0 - HB3 MET 121 - HA GLU 37 lone 0 60 - 0 - HG2 GLU 21 - HA LYS 44 lone 0 59 - 0 - HG3 GLU 21 - HA GLU 37 lone 0 51 - 0 - HG2 GLU 21 - HA GLU 37 lone 0 45 - 0 - Peak 5001 from cnoeabs.peaks (2.27, 4.05, 59.42 ppm; 3.14 A): 1 out of 1 assignment used, quality = 0.74: HB2 GLU 37 + HA GLU 37 OK 74 74 - 100 - 3.0=100 Reference assignment not found: HG2 GLU 69 - HA GLU 69 Peak 5002 from cnoeabs.peaks (2.44, 4.05, 59.42 ppm; 3.44 A): 2 out of 15 assignments used, quality = 0.97: * HG3 GLU 69 + HA GLU 69 OK 92 100 - 92 - 4.0=64, 5024/2.9=26...(19) HG2 GLU 37 + HA GLU 37 OK 67 73 - 92 - 3.9=67, 1.8/3511=24...(11) HG3 GLU 98 - HA GLU 37 OK 15 76 - 19 - 3505=5, 3504/2.9=4...(8) HG2 GLN 100 - HA GLU 69 OK 11 99 - 11 - 1457/2.9=4, ~6277=2...(5) HG3 GLU 69 - HA GLU 37 OK 11 76 - 14 - 5022=5, 1230/2.9=2...(6) HG2 GLU 37 - HA GLU 69 OK 10 99 - 10 - 3505=3, 1.8/3511=2, 1457/2.9=2 HG3 GLU 98 - HA GLU 69 lone 4 100 - 4 - 3505=1 HG3 GLU 69 - HA LYS 44 lone 3 93 - 3 - 5022=1 HG2 GLN 100 - HA GLU 37 lone 2 74 - 2 - HG3 GLU 98 - HA LYS 44 lone 1 93 - 1 - HG2 MET 1 - HA GLU 37 lone 1 68 - 2 - HG2 MET 1 - HA GLU 69 lone 1 96 - 1 - HG2 GLU 37 - HA LYS 44 lone 1 90 - 1 - HG2 GLN 100 - HA LYS 44 lone 1 91 - 1 - HG2 MET 1 - HA LYS 44 lone 0 86 - 0 - Peak 5003 from cnoeabs.peaks (7.63, 2.20, 29.14 ppm; 3.51 A): 2 out of 20 assignments used, quality = 0.97: * H GLU 69 + HB2 GLU 69 OK 89 100 - 89 - 4.0=65, 1455/1.8=17...(13) H GLN 100 + HB2 GLN 100 OK 70 82 - 86 - 4.0=66, 638/4.4=15...(8) H ALA 46 - HB2 GLU 69 OK 14 92 - 15 - 4.6/7649=3, 5021/3.0=3...(7) H GLU 69 - HB2 GLN 100 OK 14 84 - 16 - 1457/3.0=4, 1454=4...(7) H LEU 64 - HB2 GLU 69 lone 8 100 - 8 - 428/4.6=1, 5009/1.8=1 H GLN 100 - HB2 GLU 69 lone 6 99 - 6 - 11178/2.9=1, 5021/3.0=1 H ASP 34 - HB2 GLU 69 lone 5 90 - 5 - 9317/3.0=2, 5021/3.0=2 H LEU 64 - HB2 GLN 100 lone 5 84 - 5 - H LYS 115 - HB2 GLU 69 lone 4 92 - 4 - H LEU 74 - HB2 GLU 69 lone 4 65 - 6 - 4.6/7649=3, 428/4.6=1 H LYS 115 - HB2 GLN 100 lone 2 72 - 3 - HE21 GLN 85 - HB2 GLU 69 lone 2 100 - 2 - HE21 GLN 85 - HB2 GLN 100 lone 2 83 - 2 - H ASP 34 - HB2 GLN 100 lone 2 70 - 2 - H ALA 46 - HB2 GLN 100 lone 1 72 - 2 - HD21 ASN 50 - HB2 GLU 69 lone 1 98 - 1 - HD21 ASN 50 - HB2 GLN 100 lone 1 80 - 1 - HD21 ASN 10 - HB2 GLN 100 lone 1 61 - 1 - HD21 ASN 10 - HB2 GLU 69 lone 1 81 - 1 - H LEU 74 - HB2 GLN 100 lone 1 48 - 1 - Peak 5004 from cnoeabs.peaks (4.05, 2.20, 29.14 ppm; 3.21 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 69 + HB2 GLU 69 OK 100 100 - 100 - 2.9=100 Peak 5005 from cnoeabs.peaks (2.20, 2.20, 29.14 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 69 + HB2 GLU 69 OK 100 100 - 100 HB2 GLN 100 + HB2 GLN 100 OK 74 74 - 100 Peak 5006 from cnoeabs.peaks (2.09, 2.20, 29.14 ppm; 2.41 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 69 + HB2 GLU 69 OK 100 100 - 100 - 1.8=100 Peak 5007 from cnoeabs.peaks (2.27, 2.20, 29.14 ppm; 2.97 A): 1 out of 20 assignments used, quality = 0.99: * HG2 GLU 69 + HB2 GLU 69 OK 99 100 - 99 - 3.0=97, 5013/1.8=17...(15) HG3 GLU 111 - HB2 GLU 69 OK 14 99 - 14 - 5017=4, 5013/1.8=2...(5) HG3 GLU 92 - HB2 GLU 69 OK 14 96 - 15 - 5017=3, 4.0/8133=3...(5) HG2 GLU 111 - HB2 GLU 69 OK 10 81 - 13 - 1.8/5017=3, 5017=2...(4) HB2 GLU 37 - HB2 GLU 69 lone 6 99 - 6 - HG2 GLU 89 - HB2 GLU 69 lone 3 92 - 3 - HG2 GLU 69 - HB2 GLN 100 lone 2 84 - 2 - HG3 GLU 92 - HB2 GLN 100 lone 1 76 - 2 - HB2 GLU 37 - HB2 GLN 100 lone 1 82 - 1 - HG2 GLU 89 - HB2 GLN 100 lone 1 72 - 1 - HB3 ASN 8 - HB2 GLU 69 lone 1 100 - 1 - HG3 GLU 91 - HB2 GLU 69 lone 1 81 - 1 - HG3 GLU 111 - HB2 GLN 100 lone 1 82 - 1 - HG2 GLU 111 - HB2 GLN 100 lone 1 61 - 1 - HB2 MET 121 - HB2 GLU 69 lone 0 70 - 1 - HG2 GLU 103 - HB2 GLU 69 lone 0 70 - 1 - HG3 GLU 91 - HB2 GLN 100 lone 0 61 - 1 - HB3 ASN 8 - HB2 GLN 100 lone 0 84 - 0 - HG2 GLU 103 - HB2 GLN 100 lone 0 52 - 0 - HB2 MET 121 - HB2 GLN 100 lone 0 52 - 0 - Peak 5008 from cnoeabs.peaks (2.44, 2.20, 29.14 ppm; 3.17 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 69 + HB2 GLU 69 OK 100 100 - 100 - 3.0=100 HG2 GLN 100 + HB2 GLN 100 OK 82 82 - 100 - 3.0=100 Peak 5009 from cnoeabs.peaks (7.63, 2.09, 29.14 ppm; 3.49 A): 3 out of 40 assignments used, quality = 0.95: * H GLU 69 + HB3 GLU 69 OK 88 100 - 88 - 4.0=64, 2.9/5010=20...(10) H LEU 64 + HB3 GLU 66 OK 35 92 - 38 - 2084/3.7=14, 3.6/8113=12...(9) H GLU 69 + HB3 GLU 66 OK 33 92 - 36 - 2107/3.0=10, 1455=8...(11) H LYS 115 - HB2 GLU 112 OK 26 85 - 31 - 8244/3.0=12, 2198/4.6=6...(9) H LYS 115 - HB3 GLU 112 OK 25 83 - 31 - 8244/3.0=12, 2198/4.6=6...(9) H ALA 46 - HB3 GLU 69 OK 14 92 - 15 - 5021/3.0=3, 4.6/7650=3...(7) H GLU 69 - HB2 GLU 112 OK 11 96 - 11 - 1455=2, 1455/1.8=2...(4) H GLU 69 - HB3 GLU 112 OK 10 94 - 11 - 1455=2, 1455/1.8=2...(4) H LEU 64 - HB3 GLU 69 poor 10 100 - 10 - 3.6/8113=2, 2084/1435=1...(4) HE21 GLN 85 - HB3 GLU 66 lone 9 91 - 9 - 8131/3.0=1 H LEU 64 - HB2 GLU 112 lone 7 96 - 7 - 8244/3.0=1, 2188/4.6=1 H LEU 64 - HB3 GLU 112 lone 6 94 - 7 - 8244/3.0=1, 2188/4.6=1 H GLN 100 - HB3 GLU 69 lone 6 99 - 6 - 11178/2.9=1, 5021/3.0=1 H ALA 46 - HB3 GLU 66 lone 6 81 - 7 - 2107/3.0=1, 1455=1, 2106/4.1=1 H GLN 100 - HB2 GLU 112 lone 5 95 - 5 - 8244/3.0=2 H ASP 34 - HB3 GLU 69 lone 5 90 - 5 - 9317/3.0=2, 5021/3.0=2 H LYS 115 - HB3 GLU 69 lone 5 92 - 5 - H GLN 100 - HB3 GLU 112 lone 5 93 - 5 - 8244/3.0=2 H LYS 115 - HB3 GLU 66 lone 4 81 - 6 - 2091/3.7=1 H GLN 100 - HB3 GLU 66 lone 4 91 - 4 - H LEU 74 - HB3 GLU 69 lone 4 65 - 6 - 4.6/7650=3, 428/4.6=1 H ASP 34 - HB3 GLU 66 lone 3 78 - 4 - 9318/3.0=1 H ALA 46 - HB2 GLU 112 lone 2 85 - 2 - HD21 ASN 50 - HB3 GLU 66 lone 2 88 - 2 - H ASP 34 - HB2 GLU 112 lone 2 83 - 2 - H ALA 46 - HB3 GLU 112 lone 2 83 - 2 - H ASP 34 - HB3 GLU 112 lone 2 80 - 2 - HE21 GLN 85 - HB3 GLU 69 lone 2 100 - 2 - HD21 ASN 50 - HB2 GLU 112 lone 1 93 - 1 - HD21 ASN 50 - HB3 GLU 112 lone 1 90 - 1 - H LEU 74 - HB2 GLU 112 lone 1 59 - 2 - H LEU 74 - HB3 GLU 112 lone 1 57 - 2 - HD21 ASN 50 - HB3 GLU 69 lone 1 98 - 1 - HE21 GLN 85 - HB2 GLU 112 lone 1 95 - 1 - H LEU 74 - HB3 GLU 66 lone 1 55 - 2 - HE21 GLN 85 - HB3 GLU 112 lone 1 93 - 1 - HD21 ASN 10 - HB3 GLU 69 lone 1 81 - 1 - HD21 ASN 10 - HB3 GLU 66 lone 0 69 - 1 - HD21 ASN 10 - HB2 GLU 112 lone 0 74 - 1 - HD21 ASN 10 - HB3 GLU 112 lone 0 71 - 1 - Peak 5010 from cnoeabs.peaks (4.05, 2.09, 29.14 ppm; 2.81 A): 1 out of 36 assignments used, quality = 0.97: * HA GLU 69 + HB3 GLU 69 OK 97 100 - 97 - 2.9=93, 5022/3.0=14...(19) HA GLU 69 - HB3 GLU 66 OK 23 92 - 26 - 5000=7, 8090/1.8=4...(9) HA GLU 37 - HB3 GLU 69 lone 7 99 - 7 - 5022/3.0=2, 5000=2, 5016/3.0=1 HA GLU 69 - HB2 GLU 112 lone 7 96 - 7 - 5000=2, 5000/1.8=1 HA GLU 69 - HB3 GLU 112 lone 7 94 - 7 - 5000=2, 5000/1.8=1 HA LYS 44 - HB3 GLU 69 lone 2 98 - 2 - HA GLU 87 - HB3 GLU 66 lone 2 48 - 4 - HA LYS 96 - HB3 GLU 66 lone 2 81 - 2 - HA SER 35 - HB3 GLU 69 lone 2 94 - 2 - HA GLU 37 - HB3 GLU 66 lone 1 91 - 2 - HA GLU 37 - HB2 GLU 112 lone 1 95 - 1 - HA GLU 37 - HB3 GLU 112 lone 1 93 - 1 - HA GLU 91 - HB3 GLU 69 lone 1 65 - 1 - HA SER 35 - HB3 GLU 66 lone 1 83 - 1 - HA LYS 96 - HB3 GLU 69 lone 1 92 - 1 - HA LYS 44 - HB3 GLU 66 lone 1 88 - 1 - HA2 GLY 125 - HB3 GLU 69 lone 1 100 - 1 - HA3 GLY 125 - HB3 GLU 69 lone 1 96 - 1 - HA GLU 87 - HB3 GLU 69 lone 1 57 - 1 - HA GLU 87 - HB2 GLU 112 lone 1 52 - 1 - HA GLU 87 - HB3 GLU 112 lone 1 50 - 1 - HA GLU 91 - HB2 GLU 112 lone 1 59 - 1 - HA GLU 91 - HB3 GLU 112 lone 0 57 - 1 - HA LYS 96 - HB2 GLU 112 lone 0 85 - 0 - HA LYS 44 - HB2 GLU 112 lone 0 93 - 0 - HA LYS 96 - HB3 GLU 112 lone 0 83 - 0 - HA LYS 44 - HB3 GLU 112 lone 0 90 - 0 - HA GLU 91 - HB3 GLU 66 lone 0 55 - 1 - HA SER 35 - HB2 GLU 112 lone 0 88 - 0 - HA2 GLY 125 - HB3 GLU 66 lone 0 91 - 0 - HA SER 35 - HB3 GLU 112 lone 0 85 - 0 - HA3 GLY 125 - HB3 GLU 66 lone 0 85 - 0 - HA2 GLY 125 - HB2 GLU 112 lone 0 95 - 0 - HA2 GLY 125 - HB3 GLU 112 lone 0 93 - 0 - HA3 GLY 125 - HB2 GLU 112 lone 0 89 - 0 - HA3 GLY 125 - HB3 GLU 112 lone 0 87 - 0 - Peak 5011 from cnoeabs.peaks (2.20, 2.09, 29.14 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 69 + HB3 GLU 69 OK 100 100 - 100 - 1.8=100 Peak 5012 from cnoeabs.peaks (2.09, 2.09, 29.14 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 GLU 69 + HB3 GLU 69 OK 100 100 - 100 HB2 GLU 112 + HB2 GLU 112 OK 94 94 - 100 HB3 GLU 66 + HB3 GLU 66 OK 91 91 - 100 HB3 GLU 112 + HB3 GLU 112 OK 90 90 - 100 Peak 5013 from cnoeabs.peaks (2.27, 2.09, 29.14 ppm; 2.68 A): 3 out of 40 assignments used, quality = 0.92: * HG2 GLU 69 + HB3 GLU 69 OK 90 100 - 90 - 3.0=71, 1.8/5024=25...(15) HG2 GLU 69 + HB3 GLU 66 OK 16 92 - 18 - 1.8/5024=4, 5018=2...(7) HG3 GLU 111 + HB3 GLU 69 OK 10 99 - 10 - 5017/1.8=3, 5018=1, 5016/2.9=1 HG3 GLU 92 - HB3 GLU 69 lone 9 96 - 10 - 5007/1.8=2, 5016/2.9=1, 5018=1 HG3 GLU 111 - HB2 GLU 112 lone 8 95 - 9 - 708/4.0=3, 5018=1 HG3 GLU 111 - HB3 GLU 112 lone 8 93 - 9 - 708/4.0=3, 5018=1 HG2 GLU 111 - HB3 GLU 69 lone 7 81 - 9 - 5007/1.8=2, ~5007=1, ~5017=1 HG3 GLU 92 - HB3 GLU 66 lone 5 85 - 6 - HB2 GLU 37 - HB3 GLU 69 lone 5 99 - 5 - 5007/1.8=1 HG2 GLU 111 - HB2 GLU 112 lone 5 74 - 7 - 707/4.0=3 HG2 GLU 111 - HB3 GLU 112 lone 5 71 - 7 - 707/4.0=3 HG2 GLU 89 - HB3 GLU 66 lone 5 81 - 6 - HG2 GLU 69 - HB2 GLU 112 lone 4 96 - 4 - HG2 GLU 69 - HB3 GLU 112 lone 3 94 - 4 - HG3 GLU 111 - HB3 GLU 66 lone 2 91 - 2 - HG2 GLU 89 - HB3 GLU 69 lone 2 92 - 2 - HB2 GLU 37 - HB2 GLU 112 lone 2 95 - 2 - HB2 GLU 37 - HB3 GLU 112 lone 2 93 - 2 - HG2 GLU 111 - HB3 GLU 66 lone 1 69 - 2 - HG2 GLU 89 - HB2 GLU 112 lone 1 85 - 1 - HG2 GLU 89 - HB3 GLU 112 lone 1 83 - 1 - HB2 MET 121 - HB3 GLU 66 lone 1 59 - 2 - HG3 GLU 92 - HB2 GLU 112 lone 1 89 - 1 - HG3 GLU 92 - HB3 GLU 112 lone 1 87 - 1 - HB2 GLU 37 - HB3 GLU 66 lone 1 91 - 1 - HG2 GLU 103 - HB2 GLU 112 lone 1 63 - 1 - HB2 MET 121 - HB2 GLU 112 lone 1 63 - 1 - HB2 MET 121 - HB3 GLU 112 lone 1 61 - 1 - HG2 GLU 103 - HB3 GLU 112 lone 1 61 - 1 - HB3 ASN 8 - HB3 GLU 69 lone 1 100 - 1 - HB3 ASN 8 - HB2 GLU 112 lone 1 96 - 1 - HB3 ASN 8 - HB3 GLU 112 lone 1 94 - 1 - HG3 GLU 91 - HB3 GLU 69 lone 1 81 - 1 - HB2 MET 121 - HB3 GLU 69 lone 1 70 - 1 - HG2 GLU 103 - HB3 GLU 66 lone 1 59 - 1 - HB3 ASN 8 - HB3 GLU 66 lone 1 92 - 1 - HG2 GLU 103 - HB3 GLU 69 lone 0 70 - 1 - HG3 GLU 91 - HB2 GLU 112 lone 0 74 - 0 - HG3 GLU 91 - HB3 GLU 112 lone 0 71 - 0 - HG3 GLU 91 - HB3 GLU 66 lone 0 69 - 0 - Peak 5014 from cnoeabs.peaks (2.44, 2.09, 29.14 ppm; 3.13 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 69 + HB3 GLU 69 OK 100 100 - 100 - 3.0=100 Peak 5015 from cnoeabs.peaks (7.63, 2.27, 36.01 ppm; 3.89 A): 5 out of 50 assignments used, quality = 0.93: * H GLU 69 + HG2 GLU 69 OK 87 100 - 87 - 5.1=44, 1457/1.8=26...(11) H GLU 69 + HG3 GLU 92 OK 18 90 - 20 - 1456=5, 2107/4.0=4...(9) H GLU 69 + HG3 GLU 111 OK 17 99 - 18 - 1456=4, 4.0/5007=2...(7) H ALA 46 + HG2 GLU 69 OK 15 92 - 17 - 5021/1.8=4, 1456=3...(6) H ASP 34 + HG2 GLU 69 OK 10 90 - 11 - 9317=4, 5021/1.8=2...(4) H GLU 69 - HG2 GLU 111 poor 9 63 - 15 - 1456/1.8=3, 1456=3...(7) H LYS 115 - HG3 GLU 111 lone 8 89 - 10 - 4.9/10449=5, 2196/3.9=4 H LEU 64 - HG2 GLU 69 lone 8 100 - 8 - 5021/1.8=1, 4.7/11393=1 H GLN 100 - HG2 GLU 69 lone 7 99 - 7 - 5021/1.8=2, 11178/4.0=2 H ASP 34 - HG3 GLU 111 lone 7 86 - 8 - 9317=2, 9325/5.2=2, 9317/1.8=1 H LEU 64 - HG3 GLU 111 lone 4 99 - 4 - 4.7/11393=1 H LYS 115 - HG2 GLU 69 lone 4 92 - 4 - 5021/1.8=1 H GLU 69 - HG2 GLU 89 lone 4 83 - 5 - 1456=1 H LEU 74 - HG2 GLU 69 lone 4 65 - 6 - 4.6/7651=3, 5021/1.8=1 H ASP 34 - HG2 GLU 89 lone 4 68 - 5 - 9325/5.2=2, 9317=1 H ASP 34 - HG2 GLU 111 lone 3 50 - 7 - 9317=2, 9325/5.2=2, 9317/1.8=2 H GLN 100 - HG3 GLU 92 lone 3 89 - 3 - H ALA 46 - HG3 GLU 111 lone 3 89 - 3 - H LEU 64 - HG2 GLU 89 lone 3 83 - 3 - H LYS 115 - HG2 GLU 111 lone 3 52 - 5 - 2196/3.9=4 H LEU 74 - HG3 GLU 111 lone 2 62 - 4 - 11374/3.0=3 H LEU 64 - HG3 GLU 92 lone 2 90 - 2 - H GLN 100 - HG2 GLU 89 lone 2 81 - 2 - H ASP 34 - HG3 GLU 92 lone 2 76 - 3 - H ALA 46 - HG3 GLU 92 lone 2 78 - 2 - HE21 GLN 85 - HG2 GLU 69 lone 2 100 - 2 - H GLN 100 - HG3 GLU 111 lone 1 97 - 1 - H LYS 115 - HG3 GLU 92 lone 1 78 - 2 - H LEU 64 - HG2 GLU 111 lone 1 63 - 2 - H ALA 46 - HG2 GLU 89 lone 1 71 - 2 - HE21 GLN 85 - HG2 GLU 89 lone 1 82 - 1 - HD21 ASN 50 - HG2 GLU 69 lone 1 98 - 1 - H LEU 74 - HG2 GLU 111 lone 1 34 - 3 - 11374/3.0=3 H LYS 115 - HG2 GLU 89 lone 1 71 - 1 - H ALA 46 - HG2 GLU 111 lone 1 52 - 2 - HD21 ASN 50 - HG3 GLU 111 lone 1 96 - 1 - H LEU 74 - HG2 GLU 89 lone 1 47 - 2 - HE21 GLN 85 - HG3 GLU 92 lone 1 89 - 1 - HE21 GLN 85 - HG3 GLU 111 lone 1 98 - 1 - HD21 ASN 10 - HG2 GLU 69 lone 1 81 - 1 - HD21 ASN 50 - HG2 GLU 89 lone 1 78 - 1 - H GLN 100 - HG2 GLU 111 lone 1 61 - 1 - HD21 ASN 50 - HG3 GLU 92 lone 0 86 - 1 - HD21 ASN 50 - HG2 GLU 111 lone 0 59 - 1 - H LEU 74 - HG3 GLU 92 lone 0 53 - 1 - HD21 ASN 10 - HG3 GLU 111 lone 0 77 - 1 - HD21 ASN 10 - HG3 GLU 92 lone 0 67 - 1 - HD21 ASN 10 - HG2 GLU 89 lone 0 60 - 1 - HE21 GLN 85 - HG2 GLU 111 lone 0 62 - 1 - HD21 ASN 10 - HG2 GLU 111 lone 0 44 - 0 - Peak 5016 from cnoeabs.peaks (4.05, 2.27, 36.01 ppm; 3.08 A): 4 out of 45 assignments used, quality = 0.89: * HA GLU 69 + HG2 GLU 69 OK 84 100 - 84 - 4.0=46, 5022/1.8=24...(14) HA GLU 69 + HG3 GLU 111 OK 11 99 - 12 - 2.9/5017=2, 2.9/1456=2...(5) HA GLU 69 + HG3 GLU 92 OK 11 90 - 13 - 8092/3.0=3, 8090/3.0=2...(5) HA GLU 37 + HG2 GLU 69 OK 10 99 - 10 - 5022/1.8=3, 2.9/1228=2...(5) HA GLU 69 - HG2 GLU 111 poor 7 63 - 11 - 2.9/5007=2, 8092/3.0=1...(6) HA GLU 91 - HG3 GLU 92 poor 7 53 - 13 - 3.6/1608=7, 5819/3.0=1 HA GLU 87 - HG3 GLU 111 lone 5 54 - 9 - HA GLU 91 - HG2 GLU 89 lone 3 47 - 7 - 3.6/1608=5 HA GLU 87 - HG2 GLU 89 lone 3 41 - 8 - 2130/5.2=1 HA GLU 37 - HG3 GLU 111 lone 3 97 - 3 - HA GLU 69 - HG2 GLU 89 lone 3 83 - 3 - HA SER 35 - HG2 GLU 69 lone 2 94 - 2 - HA GLU 91 - HG2 GLU 69 lone 2 65 - 3 - 3.6/1608=2 HA LYS 44 - HG2 GLU 69 lone 2 98 - 2 - HA GLU 37 - HG3 GLU 92 lone 2 89 - 2 - HA SER 35 - HG3 GLU 111 lone 2 91 - 2 - HA GLU 37 - HG2 GLU 89 lone 1 81 - 2 - HA GLU 37 - HG2 GLU 111 lone 1 61 - 2 - HA GLU 87 - HG2 GLU 111 lone 1 29 - 5 - HA GLU 91 - HG3 GLU 111 lone 1 62 - 2 - HA2 GLY 125 - HG3 GLU 92 lone 1 89 - 1 - HA LYS 96 - HG2 GLU 69 lone 1 92 - 1 - HA2 GLY 125 - HG2 GLU 69 lone 1 100 - 1 - HA3 GLY 125 - HG2 GLU 69 lone 1 96 - 1 - HA LYS 96 - HG3 GLU 92 lone 1 78 - 1 - HA GLU 87 - HG3 GLU 92 lone 1 46 - 2 - HA3 GLY 125 - HG3 GLU 92 lone 1 83 - 1 - HA LYS 44 - HG3 GLU 92 lone 1 86 - 1 - HA SER 35 - HG2 GLU 111 lone 1 54 - 1 - HA SER 35 - HG2 GLU 89 lone 1 73 - 1 - HA SER 35 - HG3 GLU 92 lone 1 81 - 1 - HA GLU 87 - HG2 GLU 69 lone 1 57 - 1 - HA LYS 96 - HG2 GLU 89 lone 0 71 - 1 - HA LYS 44 - HG3 GLU 111 lone 0 96 - 0 - HA2 GLY 125 - HG2 GLU 89 lone 0 82 - 1 - HA GLU 91 - HG2 GLU 111 lone 0 34 - 1 - HA LYS 44 - HG2 GLU 89 lone 0 78 - 1 - HA3 GLY 125 - HG2 GLU 89 lone 0 75 - 1 - HA LYS 96 - HG3 GLU 111 lone 0 89 - 0 - HA2 GLY 125 - HG3 GLU 111 lone 0 98 - 0 - HA3 GLY 125 - HG3 GLU 111 lone 0 93 - 0 - HA LYS 44 - HG2 GLU 111 lone 0 59 - 0 - HA2 GLY 125 - HG2 GLU 111 lone 0 62 - 0 - HA LYS 96 - HG2 GLU 111 lone 0 52 - 0 - HA3 GLY 125 - HG2 GLU 111 lone 0 56 - 0 - Peak 5017 from cnoeabs.peaks (2.20, 2.27, 36.01 ppm; 2.40 A): 1 out of 45 assignments used, quality = 0.72: * HB2 GLU 69 + HG2 GLU 69 OK 72 100 - 72 - 3.0=51, 1.8/5013=11...(13) HB2 GLU 69 - HG3 GLU 111 lone 9 99 - 9 - 5007=2, 5007/1.8=1, 1.8/5013=1 HB2 GLU 69 - HG3 GLU 92 lone 8 90 - 9 - 5007=2, 8133/4.0=2, 1.8/5013=1 HG3 GLU 66 - HG2 GLU 69 lone 5 81 - 7 - 3.0/5013=1, 4910/3.0=1 HB2 GLU 69 - HG2 GLU 111 lone 5 63 - 8 - 5007/1.8=2, 5007=2 HG3 GLU 66 - HG3 GLU 92 lone 3 67 - 4 - HG3 GLU 66 - HG2 GLU 89 lone 2 60 - 4 - HB2 MET 67 - HG2 GLU 69 lone 2 100 - 2 - HB2 GLU 69 - HG2 GLU 89 lone 1 83 - 2 - HB2 GLN 100 - HG2 GLU 69 lone 1 94 - 1 - HG2 GLU 48 - HG3 GLU 92 lone 1 90 - 1 - HG3 GLU 66 - HG3 GLU 111 lone 1 77 - 1 - HB2 GLN 100 - HG3 GLU 92 lone 1 81 - 1 - HB2 GLN 100 - HG3 GLU 111 lone 0 91 - 1 - HB2 GLN 100 - HG2 GLU 89 lone 1 73 - 1 - HG2 GLU 48 - HG2 GLU 89 lone 0 83 - 1 - HG3 GLU 66 - HG2 GLU 111 lone 0 44 - 1 - HB2 MET 42 - HG2 GLU 69 lone 0 92 - 0 - HB2 MET 67 - HG3 GLU 92 lone 0 90 - 0 - HB2 MET 67 - HG3 GLU 111 lone 0 98 - 0 - HG2 GLU 48 - HG3 GLU 111 lone 0 99 - 0 - HB2 MET 67 - HG2 GLU 89 lone 0 82 - 0 - HB2 GLN 100 - HG2 GLU 111 lone 0 54 - 0 - HG2 GLU 48 - HG2 GLU 69 lone 0 100 - 0 - HB3 MET 1 - HG2 GLU 69 lone 0 100 - 0 - HB3 MET 1 - HG3 GLU 111 lone 0 98 - 0 - HG3 GLN 28 - HG2 GLU 69 lone 0 100 - 0 - HB2 GLN 83 - HG3 GLU 111 lone 0 86 - 0 - HB3 MET 1 - HG3 GLU 92 lone 0 89 - 0 - HB2 GLN 83 - HG2 GLU 69 lone 0 90 - 0 - HB2 MET 42 - HG3 GLU 111 lone 0 89 - 0 - HG3 GLN 28 - HG3 GLU 111 lone 0 99 - 0 - HB2 MET 42 - HG3 GLU 92 lone 0 78 - 0 - HG3 GLN 28 - HG3 GLU 92 lone 0 90 - 0 - HB2 GLN 83 - HG3 GLU 92 lone 0 76 - 0 - HG2 GLU 48 - HG2 GLU 111 lone 0 63 - 0 - HB3 MET 1 - HG2 GLU 89 lone 0 82 - 0 - HB2 MET 67 - HG2 GLU 111 lone 0 62 - 0 - HB2 GLN 83 - HG2 GLU 89 lone 0 68 - 0 - HG3 GLN 28 - HG2 GLU 89 lone 0 83 - 0 - HB2 MET 42 - HG2 GLU 89 lone 0 71 - 0 - HB3 MET 1 - HG2 GLU 111 lone 0 62 - 0 - HG3 GLN 28 - HG2 GLU 111 lone 0 63 - 0 - HB2 MET 42 - HG2 GLU 111 lone 0 52 - 0 - HB2 GLN 83 - HG2 GLU 111 lone 0 50 - 0 - Peak 5018 from cnoeabs.peaks (2.09, 2.27, 36.01 ppm; 2.41 A): 4 out of 75 assignments used, quality = 0.96: * HB3 GLU 69 + HG2 GLU 69 OK 78 100 - 78 - 3.0=52, 5024/1.8=20...(15) HB2 GLU 111 + HG3 GLU 111 OK 52 89 - 59 - 3.0=51, 3.0/6596=6...(6) HB3 GLU 92 + HG3 GLU 92 OK 39 53 - 73 - 3.0=52, 1.8/5858=14...(16) HB2 GLU 111 + HG2 GLU 111 OK 30 52 - 58 - 3.0=51, 3.0/6595=4...(6) HB3 GLU 66 - HG2 GLU 69 OK 15 99 - 15 - 5024/1.8=3, 5013=3...(5) HB3 GLU 92 - HG2 GLU 89 OK 12 47 - 25 - 1.8/5858=5, 5864=3...(9) HB3 GLU 69 - HG3 GLU 111 lone 9 99 - 9 - 1.8/5017=2, 5013=2 HB2 GLU 112 - HG3 GLU 111 lone 7 97 - 7 - 4.0/708=3, 5013=1, 1.8/5013=1 HB3 GLU 69 - HG3 GLU 92 lone 7 90 - 8 - 1.8/5017=2, 5013=2 HB3 GLU 112 - HG3 GLU 111 lone 7 96 - 7 - 4.0/708=3, 5013=1, 1.8/5013=1 HB3 GLU 92 - HG2 GLU 69 lone 5 65 - 8 - 1.8/5858=2, 5024/1.8=1, 5864=1 HB3 GLU 69 - HG2 GLU 111 lone 5 63 - 8 - 1.8/5007=1, 5013/1.8=1...(5) HB3 GLU 66 - HG3 GLU 92 lone 4 89 - 5 - HB3 GLU 66 - HG2 GLU 89 lone 4 81 - 5 - HB2 GLU 87 - HG3 GLU 111 lone 4 97 - 4 - HB2 GLU 112 - HG2 GLU 111 lone 4 60 - 6 - 4.0/707=2, 5013/1.8=1 HB3 GLU 112 - HG2 GLU 111 lone 3 59 - 6 - 4.0/707=2, 5013/1.8=1 HB2 GLU 112 - HG2 GLU 69 lone 3 99 - 3 - HB3 GLU 112 - HG2 GLU 69 lone 3 98 - 3 - HB2 GLU 87 - HG2 GLU 89 lone 3 80 - 3 - HG2 GLU 119 - HG3 GLU 92 lone 3 70 - 4 - HB2 GLU 111 - HG2 GLU 69 lone 2 92 - 3 - HB2 GLU 111 - HG2 GLU 89 lone 2 71 - 3 - HB3 GLU 66 - HG3 GLU 111 lone 2 97 - 2 - HB3 PHE 79 - HG2 GLU 69 lone 2 81 - 2 - 2.4/4641=1 HB3 GLU 92 - HG3 GLU 111 lone 2 62 - 3 - HB3 GLU 69 - HG2 GLU 89 lone 1 83 - 2 - HB2 GLU 87 - HG2 GLU 111 lone 1 60 - 2 - HB2 GLU 103 - HG3 GLU 92 lone 1 90 - 1 - HB2 GLU 111 - HG3 GLU 92 lone 1 78 - 1 - HB2 GLU 87 - HG2 GLU 69 lone 1 99 - 1 - HB3 GLU 66 - HG2 GLU 111 lone 1 61 - 1 - HB2 GLU 112 - HG2 GLU 89 lone 1 80 - 1 - HB3 GLU 112 - HG2 GLU 89 lone 1 78 - 1 - HB2 GLU 87 - HG3 GLU 92 lone 1 87 - 1 - HB2 GLU 112 - HG3 GLU 92 lone 1 87 - 1 - HB3 GLU 112 - HG3 GLU 92 lone 1 86 - 1 - HB3 PHE 79 - HG3 GLU 111 lone 1 77 - 1 - HB3 PHE 79 - HG2 GLU 89 lone 1 60 - 1 - HG2 GLU 119 - HG2 GLU 89 lone 1 63 - 1 - HB2 GLU 103 - HG2 GLU 69 lone 1 100 - 1 - HB3 PHE 79 - HG3 GLU 92 lone 1 67 - 1 - HG2 GLU 119 - HG2 GLU 69 lone 0 84 - 0 - HB3 GLU 92 - HG2 GLU 111 lone 0 34 - 1 - HB3 MET 121 - HG2 GLU 69 lone 0 87 - 0 - HB2 GLU 103 - HG2 GLU 89 lone 0 82 - 0 - HG2 GLU 119 - HG3 GLU 111 lone 0 80 - 0 - HB3 PHE 79 - HG2 GLU 111 lone 0 44 - 1 - HB2 GLU 103 - HG3 GLU 111 lone 0 98 - 0 - HB2 LYS 94 - HG2 GLU 69 lone 0 61 - 0 - HB2 LYS 94 - HG3 GLU 92 lone 0 50 - 1 - HG3 GLU 21 - HG2 GLU 69 lone 0 77 - 0 - HG3 GLU 21 - HG3 GLU 111 lone 0 74 - 0 - HG2 GLU 52 - HG2 GLU 69 lone 0 90 - 0 - HB3 MET 121 - HG3 GLU 92 lone 0 73 - 0 - HG2 GLU 21 - HG2 GLU 69 lone 0 70 - 0 - HG2 GLU 21 - HG3 GLU 111 lone 0 66 - 0 - HB2 GLU 103 - HG2 GLU 111 lone 0 62 - 0 - HB3 MET 121 - HG2 GLU 89 lone 0 66 - 0 - HB3 MET 121 - HG3 GLU 111 lone 0 83 - 0 - HG2 GLU 119 - HG2 GLU 111 lone 0 46 - 0 - HG2 GLU 52 - HG3 GLU 111 lone 0 86 - 0 - HB3 MET 121 - HG2 GLU 111 lone 0 48 - 0 - HG2 GLU 52 - HG3 GLU 92 lone 0 76 - 0 - HG3 GLU 21 - HG3 GLU 92 lone 0 64 - 0 - HG2 GLU 52 - HG2 GLU 89 lone 0 68 - 0 - HB2 LYS 94 - HG3 GLU 111 lone 0 58 - 0 - HG2 GLU 21 - HG3 GLU 92 lone 0 57 - 0 - HG3 GLU 21 - HG2 GLU 89 lone 0 57 - 0 - HB2 LYS 94 - HG2 GLU 89 lone 0 44 - 0 - HG2 GLU 21 - HG2 GLU 89 lone 0 51 - 0 - HG2 GLU 52 - HG2 GLU 111 lone 0 50 - 0 - HG3 GLU 21 - HG2 GLU 111 lone 0 41 - 0 - HG2 GLU 21 - HG2 GLU 111 lone 0 36 - 0 - HB2 LYS 94 - HG2 GLU 111 lone 0 31 - 0 - Peak 5019 from cnoeabs.peaks (2.27, 2.27, 36.01 ppm; diagonal): 4 out of 5 assignments used, quality = 1.00: * HG2 GLU 69 + HG2 GLU 69 OK 100 100 - 100 HG3 GLU 111 + HG3 GLU 111 OK 97 97 - 100 HG3 GLU 92 + HG3 GLU 92 OK 83 83 - 100 HG2 GLU 89 + HG2 GLU 89 OK 71 71 - 100 HG2 GLU 111 - HG2 GLU 111 OK 44 44 - 100 Peak 5020 from cnoeabs.peaks (2.44, 2.27, 36.01 ppm; 2.44 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 69 + HG2 GLU 69 OK 100 100 - 100 - 1.8=100 Peak 5021 from cnoeabs.peaks (7.63, 2.44, 36.01 ppm; 3.74 A): 2 out of 10 assignments used, quality = 0.85: * H GLU 69 + HG3 GLU 69 OK 83 100 - 83 - 5.1=39, 2.9/5022=26...(10) H ALA 46 + HG3 GLU 69 OK 14 92 - 15 - 1457=4, 4.6/7652=3...(6) H ASP 34 - HG3 GLU 69 lone 8 90 - 9 - 9317/1.8=3, 9316=2 H GLN 100 - HG3 GLU 69 lone 7 99 - 7 - 1666=2, 11178/4.0=2 H LEU 64 - HG3 GLU 69 lone 5 100 - 5 - 5015/1.8=1 H LYS 115 - HG3 GLU 69 lone 3 92 - 4 - H LEU 74 - HG3 GLU 69 lone 3 65 - 5 - 4.6/7652=3 HE21 GLN 85 - HG3 GLU 69 lone 1 100 - 1 - HD21 ASN 50 - HG3 GLU 69 lone 1 98 - 1 - HD21 ASN 10 - HG3 GLU 69 lone 1 81 - 1 - Peak 5022 from cnoeabs.peaks (4.05, 2.44, 36.01 ppm; 3.38 A): 2 out of 9 assignments used, quality = 0.92: * HA GLU 69 + HG3 GLU 69 OK 91 100 - 91 - 4.0=61, 2.9/5024=25...(19) HA GLU 37 + HG3 GLU 69 OK 12 99 - 12 - 3490=3, 5016/1.8=2...(5) HA SER 35 - HG3 GLU 69 lone 3 94 - 3 - HA LYS 44 - HG3 GLU 69 lone 3 98 - 3 - HA LYS 96 - HG3 GLU 69 lone 1 92 - 1 - HA GLU 91 - HG3 GLU 69 lone 1 65 - 2 - HA2 GLY 125 - HG3 GLU 69 lone 1 100 - 1 - HA3 GLY 125 - HG3 GLU 69 lone 1 96 - 1 - HA GLU 87 - HG3 GLU 69 lone 1 57 - 1 - Peak 5023 from cnoeabs.peaks (2.20, 2.44, 36.01 ppm; 3.08 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 69 + HG3 GLU 69 OK 100 100 - 100 - 3.0=100 Peak 5024 from cnoeabs.peaks (2.09, 2.44, 36.01 ppm; 2.56 A): 2 out of 15 assignments used, quality = 0.83: * HB3 GLU 69 + HG3 GLU 69 OK 81 100 - 81 - 3.0=62, 5013/1.8=13...(12) HB3 GLU 66 + HG3 GLU 69 OK 14 99 - 14 - 5013/1.8=2, 5010/4.0=2, ~8133=1 HB3 GLU 92 - HG3 GLU 69 lone 5 65 - 7 - HB2 GLU 111 - HG3 GLU 69 lone 3 92 - 3 - HB2 GLU 112 - HG3 GLU 69 lone 2 99 - 2 - HB3 GLU 112 - HG3 GLU 69 lone 2 98 - 2 - HB3 PHE 79 - HG3 GLU 69 lone 2 81 - 2 - ~4641=1 HB2 GLU 87 - HG3 GLU 69 lone 1 99 - 1 - HB2 GLU 103 - HG3 GLU 69 lone 0 100 - 0 - HG2 GLU 119 - HG3 GLU 69 lone 0 84 - 0 - HB3 MET 121 - HG3 GLU 69 lone 0 87 - 0 - HB2 LYS 94 - HG3 GLU 69 lone 0 61 - 0 - HG3 GLU 21 - HG3 GLU 69 lone 0 77 - 0 - HG2 GLU 52 - HG3 GLU 69 lone 0 90 - 0 - HG2 GLU 21 - HG3 GLU 69 lone 0 70 - 0 - Peak 5025 from cnoeabs.peaks (2.27, 2.44, 36.01 ppm; 2.51 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 69 + HG3 GLU 69 OK 100 100 - 100 - 1.8=100 Peak 5026 from cnoeabs.peaks (2.44, 2.44, 36.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 69 + HG3 GLU 69 OK 100 100 - 100 Peak 5027 from cnoeabs.peaks (7.72, 4.16, 57.77 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 70 + HA LEU 70 OK 100 100 - 100 - 3.0=100 Peak 5028 from cnoeabs.peaks (4.16, 4.16, 57.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 70 + HA LEU 70 OK 100 100 - 100 Peak 5029 from cnoeabs.peaks (1.94, 4.16, 57.77 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 70 + HA LEU 70 OK 100 100 - 100 - 3.0=100 Peak 5030 from cnoeabs.peaks (1.57, 4.16, 57.77 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 70 + HA LEU 70 OK 100 100 - 100 - 3.0=100 Peak 5031 from cnoeabs.peaks (1.85, 4.16, 57.77 ppm; 3.61 A): 1 out of 9 assignments used, quality = 1.00: * HG LEU 70 + HA LEU 70 OK 100 100 - 100 - 3.6=97, 2.1/5063=37...(15) HD2 LYS 123 - HA LEU 70 lone 10 99 - 10 - 438/3.6=3, 1462/3.0=2 QE MET 42 - HA LEU 70 poor 10 65 - 15 - 438/3.6=4, 9430/3.8=4...(4) HG LEU 127 - HA LEU 70 lone 8 92 - 8 - 2.1/10653=2, 1462/3.0=2 HB2 LYS 77 - HA LEU 70 lone 1 99 - 1 - HB3 LYS 77 - HA LEU 70 lone 1 97 - 1 - HB2 ARG 105 - HA LEU 70 lone 1 94 - 1 - HB3 LYS 19 - HA LEU 70 lone 1 81 - 1 - QE MET 121 - HA LEU 70 lone 1 65 - 1 - Peak 5032 from cnoeabs.peaks (0.91, 4.16, 57.77 ppm; 3.08 A): 2 out of 7 assignments used, quality = 0.99: * QD1 LEU 70 + HA LEU 70 OK 90 100 - 90 - 3.8=54, 2.1/5063=29...(16) QD2 LEU 70 + HA LEU 70 OK 88 100 - 89 - 3.8=54, 2.1/5056=25...(17) HG13 ILE 97 - HA LEU 70 lone 2 61 - 3 - HG13 ILE 54 - HA LEU 70 lone 1 99 - 1 - QD1 LEU 90 - HA LEU 70 lone 1 100 - 1 - QD2 LEU 38 - HA LEU 70 lone 1 70 - 1 - QG2 VAL 29 - HA LEU 70 lone 1 92 - 1 - Peak 5033 from cnoeabs.peaks (0.90, 4.16, 57.77 ppm; 3.06 A): 2 out of 7 assignments used, quality = 0.99: QD1 LEU 70 + HA LEU 70 OK 89 100 - 89 - 3.8=54, 2.1/5063=29...(16) * QD2 LEU 70 + HA LEU 70 OK 88 100 - 88 - 3.8=54, 2.1/5056=25...(17) HG13 ILE 54 - HA LEU 70 lone 1 96 - 1 - QD2 LEU 38 - HA LEU 70 lone 1 81 - 1 - QD1 LEU 90 - HA LEU 70 lone 1 100 - 1 - QG2 VAL 29 - HA LEU 70 lone 1 97 - 1 - QG2 VAL 104 - HA LEU 70 lone 0 61 - 1 - Peak 5034 from cnoeabs.peaks (7.72, 1.94, 41.94 ppm; 3.80 A): 1 out of 6 assignments used, quality = 1.00: * H LEU 70 + HB2 LEU 70 OK 100 100 - 100 - 3.8=100 H LYS 73 - HB2 LEU 70 OK 40 98 - 41 - 2126/3.0=18, 2125/4.5=9...(5) H GLU 47 - HB2 LEU 70 OK 13 99 - 13 - 2072/3.0=3, 5062/3.1=3...(5) H LEU 70 - HB2 LEU 127 lone 7 78 - 9 - 1462/3.0=2, 1460=2...(4) H LYS 73 - HB2 LEU 127 lone 1 74 - 2 - H GLU 47 - HB2 LEU 127 lone 1 76 - 1 - Peak 5035 from cnoeabs.peaks (4.16, 1.94, 41.94 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 70 + HB2 LEU 70 OK 100 100 - 100 - 3.0=100 Peak 5036 from cnoeabs.peaks (1.94, 1.94, 41.94 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 70 + HB2 LEU 70 OK 100 100 - 100 HB2 LEU 127 + HB2 LEU 127 OK 68 68 - 100 Peak 5037 from cnoeabs.peaks (1.57, 1.94, 41.94 ppm; 2.82 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 70 + HB2 LEU 70 OK 100 100 - 100 - 1.8=100 Peak 5038 from cnoeabs.peaks (1.85, 1.94, 41.94 ppm; 3.20 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 70 + HB2 LEU 70 OK 100 100 - 100 - 3.0=100 HG LEU 127 + HB2 LEU 127 OK 66 66 - 100 - 3.0=100 Peak 5039 from cnoeabs.peaks (0.91, 1.94, 41.94 ppm; 3.15 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 70 + HB2 LEU 70 OK 100 100 - 100 - 3.1=100 QD2 LEU 70 + HB2 LEU 70 OK 100 100 - 100 - 3.1=100 Peak 5040 from cnoeabs.peaks (0.90, 1.94, 41.94 ppm; 3.25 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 70 + HB2 LEU 70 OK 100 100 - 100 - 3.1=100 QD1 LEU 70 + HB2 LEU 70 OK 100 100 - 100 - 3.1=100 Peak 5041 from cnoeabs.peaks (7.72, 1.57, 41.94 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 70 + HB3 LEU 70 OK 100 100 - 100 - 3.8=100 Peak 5042 from cnoeabs.peaks (4.16, 1.57, 41.94 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 70 + HB3 LEU 70 OK 100 100 - 100 - 3.0=100 Peak 5043 from cnoeabs.peaks (1.94, 1.57, 41.94 ppm; 2.98 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 70 + HB3 LEU 70 OK 100 100 - 100 - 1.8=100 Peak 5044 from cnoeabs.peaks (1.57, 1.57, 41.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 70 + HB3 LEU 70 OK 100 100 - 100 Peak 5045 from cnoeabs.peaks (1.85, 1.57, 41.94 ppm; 3.45 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 70 + HB3 LEU 70 OK 100 100 - 100 - 3.0=100 Peak 5046 from cnoeabs.peaks (0.91, 1.57, 41.94 ppm; 3.15 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 70 + HB3 LEU 70 OK 100 100 - 100 - 3.1=100 QD2 LEU 70 + HB3 LEU 70 OK 100 100 - 100 - 3.1=100 Peak 5047 from cnoeabs.peaks (0.90, 1.57, 41.94 ppm; 3.13 A): 2 out of 7 assignments used, quality = 1.00: * QD2 LEU 70 + HB3 LEU 70 OK 99 100 - 99 - 3.1=99 QD1 LEU 70 + HB3 LEU 70 OK 99 100 - 99 - 3.1=99 QD2 LEU 38 - HB3 LEU 70 lone 1 81 - 2 - HG13 ILE 54 - HB3 LEU 70 lone 1 96 - 1 - QG2 VAL 29 - HB3 LEU 70 lone 1 97 - 1 - QD1 LEU 90 - HB3 LEU 70 lone 1 100 - 1 - QG2 VAL 104 - HB3 LEU 70 lone 1 61 - 1 - Peak 5048 from cnoeabs.peaks (7.72, 1.85, 26.77 ppm; 3.60 A): 3 out of 6 assignments used, quality = 0.93: * H LEU 70 + HG LEU 70 OK 89 100 - 89 - 4.8=41, 3.0/5031=21...(12) H LYS 73 + HG LEU 70 OK 33 98 - 34 - 2126/3.6=14, 5062/2.1=8...(5) H GLU 47 + HG LEU 70 OK 11 99 - 11 - 5062/2.1=3, 5055/2.1=3...(4) H LEU 70 - HG LEU 127 lone 8 83 - 9 - 1462=3, 3.0/5031=2...(4) H LYS 73 - HG LEU 127 lone 1 78 - 2 - H GLU 47 - HG LEU 127 lone 0 81 - 1 - Peak 5049 from cnoeabs.peaks (4.16, 1.85, 26.77 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 70 + HG LEU 70 OK 100 100 - 100 - 3.6=100 Peak 5050 from cnoeabs.peaks (1.94, 1.85, 26.77 ppm; 3.21 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 70 + HG LEU 70 OK 100 100 - 100 - 3.0=100 HB2 LEU 127 + HG LEU 127 OK 73 73 - 100 - 3.0=100 Peak 5051 from cnoeabs.peaks (1.57, 1.85, 26.77 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 70 + HG LEU 70 OK 100 100 - 100 - 3.0=100 Peak 5052 from cnoeabs.peaks (1.85, 1.85, 26.77 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 70 + HG LEU 70 OK 100 100 - 100 HG LEU 127 + HG LEU 127 OK 71 71 - 100 Peak 5053 from cnoeabs.peaks (0.91, 1.85, 26.77 ppm; 2.86 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 70 + HG LEU 70 OK 100 100 - 100 - 2.1=100 QD2 LEU 70 + HG LEU 70 OK 100 100 - 100 - 2.1=100 Peak 5054 from cnoeabs.peaks (0.90, 1.85, 26.77 ppm; 2.97 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 70 + HG LEU 70 OK 100 100 - 100 - 2.1=100 QD1 LEU 70 + HG LEU 70 OK 100 100 - 100 - 2.1=100 Peak 5055 from cnoeabs.peaks (7.72, 0.91, 25.18 ppm; 4.28 A): 2 out of 3 assignments used, quality = 0.99: * H LEU 70 + QD1 LEU 70 OK 98 100 - 98 - 4.8=72, 3.0/5056=35...(14) H LYS 73 + QD1 LEU 70 OK 48 98 - 49 - 2126/3.8=19, 2125/4.7=11...(6) H GLU 47 - QD1 LEU 70 OK 17 99 - 17 - 5062/2.1=4, 2072/3.8=3...(5) Peak 5056 from cnoeabs.peaks (4.16, 0.91, 25.18 ppm; 3.36 A): 1 out of 5 assignments used, quality = 0.95: * HA LEU 70 + QD1 LEU 70 OK 95 100 - 95 - 3.8=71, 5063/2.1=34...(16) HA ARG 95 - QD1 LEU 70 lone 5 90 - 6 - 4.8/10101=4, 5063/2.1=2 HA ALA 124 - QD1 LEU 70 lone 3 70 - 4 - 3.0/7657=2 HA LEU 45 - QD1 LEU 70 lone 1 84 - 1 - HA GLU 89 - QD1 LEU 70 lone 1 81 - 1 - Peak 5057 from cnoeabs.peaks (1.94, 0.91, 25.18 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 70 + QD1 LEU 70 OK 100 100 - 100 - 3.1=100 Peak 5058 from cnoeabs.peaks (1.57, 0.91, 25.18 ppm; 3.06 A): 1 out of 12 assignments used, quality = 0.97: * HB3 LEU 70 + QD1 LEU 70 OK 97 100 - 97 - 3.1=93, 3.0/5056=20...(11) HG2 LYS 123 - QD1 LEU 70 lone 6 99 - 6 - 437/4.7=2 HG2 LYS 115 - QD1 LEU 70 lone 2 94 - 2 - HG LEU 68 - QD1 LEU 70 lone 2 65 - 3 - 1461/4.8=1 HG3 LYS 96 - QD1 LEU 70 lone 2 100 - 2 - HB VAL 78 - QD1 LEU 70 lone 1 84 - 1 - HG2 LYS 44 - QD1 LEU 70 lone 1 87 - 1 - HG12 ILE 3 - QD1 LEU 70 lone 1 94 - 1 - HG LEU 55 - QD1 LEU 70 lone 1 99 - 1 - HD3 LYS 106 - QD1 LEU 70 lone 1 96 - 1 - HD2 LYS 106 - QD1 LEU 70 lone 1 94 - 1 - HG12 ILE 116 - QD1 LEU 70 lone 0 81 - 1 - Peak 5059 from cnoeabs.peaks (1.85, 0.91, 25.18 ppm; 3.05 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 70 + QD1 LEU 70 OK 100 100 - 100 - 2.1=100 Peak 5060 from cnoeabs.peaks (0.91, 0.91, 25.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 70 + QD1 LEU 70 OK 100 100 - 100 Peak 5061 from cnoeabs.peaks (0.90, 0.91, 25.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 70 + QD1 LEU 70 OK 100 100 - 100 Reference assignment not found: QD2 LEU 70 - QD1 LEU 70 Peak 5062 from cnoeabs.peaks (7.72, 0.90, 23.17 ppm; 3.94 A): 1 out of 3 assignments used, quality = 0.96: * H LEU 70 + QD2 LEU 70 OK 96 100 - 96 - 4.8=56, 3.0/5063=35...(14) H LYS 73 - QD2 LEU 70 OK 42 98 - 43 - 2126/3.8=16, 2125/4.7=9...(5) H GLU 47 - QD2 LEU 70 OK 14 99 - 14 - 5055/2.1=3, 5048/2.1=3...(5) Peak 5063 from cnoeabs.peaks (4.16, 0.90, 23.17 ppm; 3.03 A): 1 out of 5 assignments used, quality = 0.87: * HA LEU 70 + QD2 LEU 70 OK 87 100 - 87 - 3.8=52, 5056/2.1=24...(17) HA ARG 95 - QD2 LEU 70 lone 4 90 - 5 - 4.8/10101=3, 5056/2.1=1 HA ALA 124 - QD2 LEU 70 lone 2 70 - 3 - HA LEU 45 - QD2 LEU 70 lone 1 84 - 1 - HA GLU 89 - QD2 LEU 70 lone 1 81 - 1 - Peak 5064 from cnoeabs.peaks (1.94, 0.90, 23.17 ppm; 3.35 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 70 + QD2 LEU 70 OK 100 100 - 100 - 3.1=100 Peak 5065 from cnoeabs.peaks (1.57, 0.90, 23.17 ppm; 3.24 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 70 + QD2 LEU 70 OK 100 100 - 100 - 3.1=100 Peak 5066 from cnoeabs.peaks (1.85, 0.90, 23.17 ppm; 2.88 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 70 + QD2 LEU 70 OK 100 100 - 100 - 2.1=100 Peak 5067 from cnoeabs.peaks (0.91, 0.90, 23.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 70 + QD2 LEU 70 OK 100 100 - 100 Reference assignment not found: QD1 LEU 70 - QD2 LEU 70 Peak 5068 from cnoeabs.peaks (0.90, 0.90, 23.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 70 + QD2 LEU 70 OK 100 100 - 100 Peak 5069 from cnoeabs.peaks (8.60, 3.74, 64.24 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 71 + HA ILE 71 OK 100 100 - 100 - 3.0=100 Peak 5070 from cnoeabs.peaks (3.74, 3.74, 64.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 71 + HA ILE 71 OK 100 100 - 100 Peak 5071 from cnoeabs.peaks (1.90, 3.74, 64.24 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 71 + HA ILE 71 OK 100 100 - 100 - 3.0=100 Peak 5072 from cnoeabs.peaks (0.82, 3.74, 64.24 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 71 + HA ILE 71 OK 100 100 - 100 - 3.2=100 Peak 5073 from cnoeabs.peaks (1.69, 3.74, 64.24 ppm; 3.95 A): 2 out of 24 assignments used, quality = 1.00: * HG12 ILE 71 + HA ILE 71 OK 100 100 - 100 - 3.9=100 HG LEU 74 + HA ILE 71 OK 69 92 - 75 - 2.1/9819=29...(11) HG3 LYS 123 - HA ILE 71 OK 25 99 - 25 - 10612/3.2=10, 1469/3.0=3...(7) HD2 LYS 73 - HA ILE 71 OK 21 94 - 22 - 6.4/2124=8, 3.0/9773=5...(5) HD3 LYS 73 - HA ILE 71 OK 20 92 - 22 - 6.4/2124=8, 3.0/9773=5...(5) HD2 LYS 20 - HA ILE 71 lone 5 98 - 5 - HD3 LYS 20 - HA ILE 71 lone 5 97 - 5 - HG3 LYS 39 - HA ILE 71 lone 4 99 - 4 - 10612/3.2=1 HB ILE 56 - HA ILE 71 lone 4 99 - 4 - 4466/4.2=2 HD3 LYS 96 - HA ILE 71 lone 4 90 - 4 - HD3 LYS 16 - HA ILE 71 lone 4 99 - 4 - 6.1/9790=2 HD2 LYS 96 - HA ILE 71 lone 4 84 - 4 - HD2 LYS 16 - HA ILE 71 lone 3 96 - 4 - 6.1/9790=2 HD2 LYS 44 - HA ILE 71 lone 3 97 - 3 - HD2 LYS 17 - HA ILE 71 lone 3 84 - 3 - 10919/4.2=1 HD3 LYS 44 - HA ILE 71 lone 3 94 - 3 - HD3 LYS 39 - HA ILE 71 lone 2 90 - 2 - HD2 LYS 39 - HA ILE 71 lone 2 87 - 2 - HD3 LYS 43 - HA ILE 71 lone 2 92 - 2 - HB ILE 54 - HA ILE 71 lone 1 87 - 2 - HD2 LYS 43 - HA ILE 71 lone 1 77 - 2 - HD2 LYS 40 - HA ILE 71 lone 1 87 - 1 - HD3 LYS 40 - HA ILE 71 lone 1 84 - 1 - HG3 ARG 95 - HA ILE 71 lone 1 65 - 1 - Peak 5074 from cnoeabs.peaks (1.02, 3.74, 64.24 ppm; 4.39 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 71 + HA ILE 71 OK 100 100 - 100 - 3.9=100 Peak 5075 from cnoeabs.peaks (0.65, 3.74, 64.24 ppm; 4.44 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 71 + HA ILE 71 OK 100 100 - 100 - 4.2=100 Peak 5076 from cnoeabs.peaks (8.60, 1.90, 37.90 ppm; 3.91 A): 1 out of 8 assignments used, quality = 0.99: * H ILE 71 + HB ILE 71 OK 99 100 - 99 - 3.9=98, 1470/3.0=26...(9) H ALA 124 - HB ILE 71 OK 26 100 - 27 - 5083/2.1=6, 3.0/10630=4...(8) H LEU 80 - HB ILE 71 lone 9 100 - 9 - 5083/2.1=2, 5104/3.2=2...(4) H LYS 94 - HB ILE 71 lone 6 96 - 7 - 5083/2.1=2, 5097/3.0=1 H LYS 49 - HB ILE 71 lone 5 94 - 5 - 5083/2.1=1, 5104/3.2=1 H THR 108 - HB ILE 71 lone 4 98 - 4 - H ASP 12 - HB ILE 71 lone 2 87 - 2 - H GLN 85 - HB ILE 71 lone 1 61 - 2 - Peak 5077 from cnoeabs.peaks (3.74, 1.90, 37.90 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 71 + HB ILE 71 OK 100 100 - 100 - 3.0=100 Peak 5078 from cnoeabs.peaks (1.90, 1.90, 37.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 71 + HB ILE 71 OK 100 100 - 100 Peak 5079 from cnoeabs.peaks (0.82, 1.90, 37.90 ppm; 3.46 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 71 + HB ILE 71 OK 100 100 - 100 - 2.1=100 Peak 5080 from cnoeabs.peaks (1.69, 1.90, 37.90 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 71 + HB ILE 71 OK 100 100 - 100 - 3.0=100 Peak 5081 from cnoeabs.peaks (1.02, 1.90, 37.90 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 71 + HB ILE 71 OK 100 100 - 100 - 3.0=100 Peak 5082 from cnoeabs.peaks (0.65, 1.90, 37.90 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 71 + HB ILE 71 OK 100 100 - 100 - 3.2=100 Peak 5083 from cnoeabs.peaks (8.60, 0.82, 18.37 ppm; 3.97 A): 1 out of 8 assignments used, quality = 0.99: * H ILE 71 + QG2 ILE 71 OK 99 100 - 99 - 4.0=96, 1470/3.2=25...(11) H ALA 124 - QG2 ILE 71 OK 29 100 - 30 - 4.7/10612=7, 5076/2.1=6...(9) H LEU 80 - QG2 ILE 71 OK 11 100 - 11 - 5104/3.3=2, 5076/2.1=2...(5) H LYS 94 - QG2 ILE 71 lone 8 96 - 8 - 5076/2.1=2, 5104/3.3=1...(4) H LYS 49 - QG2 ILE 71 lone 6 94 - 6 - 5076/2.1=1, 5104/3.3=1 H THR 108 - QG2 ILE 71 lone 4 98 - 4 - H ASP 12 - QG2 ILE 71 lone 2 87 - 3 - H GLN 85 - QG2 ILE 71 lone 2 61 - 3 - Peak 5084 from cnoeabs.peaks (3.74, 0.82, 18.37 ppm; 3.47 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 71 + QG2 ILE 71 OK 100 100 - 100 - 3.2=100 Peak 5085 from cnoeabs.peaks (1.90, 0.82, 18.37 ppm; 3.17 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 71 + QG2 ILE 71 OK 100 100 - 100 - 2.1=100 Peak 5086 from cnoeabs.peaks (0.82, 0.82, 18.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 71 + QG2 ILE 71 OK 100 100 - 100 Peak 5087 from cnoeabs.peaks (1.69, 0.82, 18.37 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 71 + QG2 ILE 71 OK 100 100 - 100 - 3.2=100 Peak 5088 from cnoeabs.peaks (1.02, 0.82, 18.37 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 71 + QG2 ILE 71 OK 100 100 - 100 - 3.2=100 Peak 5089 from cnoeabs.peaks (0.65, 0.82, 18.37 ppm; 2.84 A): 2 out of 7 assignments used, quality = 0.80: * QD1 ILE 71 + QG2 ILE 71 OK 77 100 - 77 - 3.3=67, 1471/4.0=8...(9) QD1 LEU 4 + QG2 ILE 71 OK 13 87 - 15 - 9037/9798=3, 2.1/9789=2...(5) QD1 ILE 56 - QG2 ILE 71 lone 5 97 - 5 - QD2 LEU 114 - QG2 ILE 71 lone 2 73 - 3 - QG1 VAL 22 - QG2 ILE 71 lone 1 73 - 1 - HG13 ILE 15 - QG2 ILE 71 lone 1 65 - 2 - QD1 ILE 54 - QG2 ILE 71 lone 1 61 - 1 - Peak 5090 from cnoeabs.peaks (8.60, 1.69, 28.69 ppm; 4.64 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 71 + HG12 ILE 71 OK 100 100 - 100 - 4.6=100 Peak 5091 from cnoeabs.peaks (3.74, 1.69, 28.69 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 71 + HG12 ILE 71 OK 100 100 - 100 - 3.9=100 Peak 5092 from cnoeabs.peaks (1.90, 1.69, 28.69 ppm; 2.70 A): 12 out of 168 assignments used, quality = 1.00: * HB ILE 71 + HG12 ILE 71 OK 79 100 - 79 - 3.0=71, ~5089=9, ~5107=7...(6) HB2 LYS 20 + HD2 LYS 20 OK 71 88 - 81 - 3.4=48, 2.9/3078=6...(38) HB3 LYS 20 + HD2 LYS 20 OK 71 88 - 81 - 3.4=48, 2.9/3078=6...(38) HB3 LYS 20 + HD3 LYS 20 OK 69 85 - 81 - 3.4=48, 2.9/3078=6...(38) HB2 LYS 20 + HD3 LYS 20 OK 69 85 - 81 - 3.4=48, 2.9/3078=6...(38) HB2 LYS 73 + HD2 LYS 73 OK 61 82 - 74 - 3.8=34, 2.9/5169=6...(35) HB3 LYS 73 + HD2 LYS 73 OK 60 82 - 73 - 3.8=34, 2.9/5169=6...(35) HB2 LYS 73 + HD3 LYS 73 OK 58 78 - 74 - 3.8=34, 2.9/5169=6...(35) HB3 LYS 73 + HD3 LYS 73 OK 57 78 - 73 - 3.8=34, 2.9/5169=6...(35) HB3 LYS 43 + HD3 LYS 43 OK 53 75 - 70 - 3.8=35, 3.0/3847=6...(28) HB2 LYS 96 + HD3 LYS 96 OK 46 56 - 82 - 3.4=48, 1.8/6098=6...(36) HB2 LYS 43 + HD3 LYS 43 OK 45 64 - 71 - 3.8=35, 3.0/3847=6...(28) HB2 LYS 96 - HD2 LYS 96 OK 39 47 - 82 - 3.4=48, 1.8/6097=6...(37) HB3 LYS 20 - HD2 LYS 73 OK 23 78 - 30 - 2.9/3078=2, 2.9/3068=2 HB2 LYS 20 - HD2 LYS 73 OK 23 78 - 30 - 2.9/3078=2, 2.9/3068=2 HB3 LYS 20 - HD3 LYS 73 OK 22 74 - 30 - 2.9/3078=2, 2.9/3068=2 HB2 LYS 20 - HD3 LYS 73 OK 22 74 - 30 - 2.9/3078=2, 2.9/3068=2 HB3 LYS 43 - HD2 LYS 20 OK 22 89 - 25 - 3.0/3817=1, ~3063=1...(6) HB2 LYS 20 - HD3 LYS 43 OK 22 74 - 30 - 2.9/3068=2, 2.9/3078=2...(5) HB3 LYS 20 - HD3 LYS 43 OK 22 74 - 30 - 2.9/3068=2, 2.9/3078=2...(5) HB3 LYS 43 - HD3 LYS 20 OK 21 86 - 25 - 3.0/3817=1, ~3063=1...(6) HB2 LYS 73 - HD2 LYS 20 OK 20 92 - 22 - 2.9/5169=2, 2.9/5159=1 HB2 LYS 43 - HD2 LYS 20 OK 20 78 - 26 - 3.0/3817=1, ~3063=1...(6) HB3 LYS 73 - HD2 LYS 20 OK 20 91 - 22 - 2.9/5169=2, 2.9/5159=1 HB2 LYS 73 - HD3 LYS 20 OK 20 89 - 22 - 2.9/5169=2, 2.9/5159=1 HB2 LYS 43 - HD3 LYS 20 OK 19 75 - 26 - 3.0/3817=1, ~3063=1...(6) HB3 LYS 73 - HD3 LYS 20 OK 19 89 - 22 - 2.9/5169=2, 2.9/5159=1 HB3 LYS 44 - HD3 LYS 96 OK 18 48 - 37 - 2.9/6107=1, 3.0/3906=1...(6) QE MET 67 - HG12 ILE 71 OK 17 73 - 23 - 9726/2.1=6, ~9782=4...(7) HB2 LYS 73 - HD3 LYS 43 OK 17 78 - 21 - 2.9/5169=1, 2.9/5159=1 HB3 LYS 73 - HD3 LYS 43 OK 16 78 - 21 - 2.9/5169=1, 2.9/5159=1 HB3 LYS 44 - HD2 LYS 96 OK 15 41 - 37 - 2.9/6107=1, ~3905=1...(5) HB2 LYS 44 - HD3 LYS 96 OK 14 38 - 37 - 2.9/6107=1, 3.0/3906=1...(5) HB3 LYS 43 - HD2 LYS 73 OK 14 80 - 17 - 3.0/3847=1 HB3 LYS 43 - HD3 LYS 73 OK 13 75 - 17 - 3.0/3847=1 HB2 LYS 96 - HD2 LYS 20 OK 13 89 - 14 - 1.8/6098=1 HB2 LYS 43 - HD2 LYS 73 OK 12 68 - 18 - 3.0/3847=1 HB2 LYS 96 - HD3 LYS 20 OK 12 86 - 14 - 1.8/6098=1 HB2 LYS 44 - HD2 LYS 96 OK 12 32 - 37 - 2.9/6107=1, ~3905=1...(4) HB2 LYS 43 - HD3 LYS 73 OK 12 64 - 18 - 3.0/3847=1 HB2 LYS 96 - HD2 LYS 73 OK 12 80 - 14 - 1.8/6098=1 HB2 LYS 96 - HD3 LYS 73 OK 11 75 - 14 - 1.8/6098=1 HB2 LYS 96 - HD3 LYS 43 poor 9 75 - 12 - 1.8/6098=1 HB2 ARG 95 - HD3 LYS 96 poor 7 58 - 13 - 7789/5.7=3, 8327/5.3=1...(4) HB2 ARG 95 - HD2 LYS 96 poor 6 50 - 12 - 7789/5.7=3, 8327/5.3=1 HB3 LYS 44 - HD3 LYS 43 lone 6 67 - 9 - HB3 LYS 20 - HD3 LYS 96 poor 6 54 - 10 - HB2 LYS 20 - HD3 LYS 96 poor 6 54 - 10 - HB3 LYS 43 - HD3 LYS 96 poor 6 56 - 10 - HB2 LYS 73 - HD3 LYS 96 lone 6 58 - 10 - HB3 LYS 73 - HD3 LYS 96 lone 6 58 - 9 - HB3 LYS 44 - HD2 LYS 73 lone 5 71 - 8 - HB3 LYS 44 - HD3 LYS 73 lone 5 67 - 8 - HB ILE 71 - HD2 LYS 73 lone 5 83 - 6 - ~9773=1 HB3 LYS 20 - HD2 LYS 96 poor 5 46 - 10 - HB2 LYS 20 - HD2 LYS 96 poor 5 46 - 10 - HB2 LYS 44 - HD3 LYS 43 lone 5 53 - 9 - HB2 LYS 73 - HD2 LYS 96 lone 5 50 - 10 - HB ILE 71 - HD3 LYS 73 lone 5 78 - 6 - ~9773=1 HB2 LYS 43 - HD3 LYS 96 poor 5 46 - 10 - HB2 LYS 73 - HG12 ILE 71 lone 5 100 - 5 - 1467/4.6=1 HB3 LYS 73 - HD2 LYS 96 lone 5 49 - 10 - HB3 LYS 73 - HG12 ILE 71 lone 5 100 - 5 - 1467/4.6=1 HB3 LYS 43 - HD2 LYS 96 lone 5 47 - 10 - HB2 LYS 44 - HD2 LYS 73 lone 5 57 - 8 - HB3 LYS 123 - HG12 ILE 71 lone 4 65 - 7 - ~10612=2 HB2 LYS 44 - HD3 LYS 73 lone 4 53 - 8 - HB2 LEU 45 - HD2 LYS 73 lone 4 75 - 5 - HB3 LYS 16 - HD2 LYS 20 lone 4 65 - 6 - HB2 LYS 43 - HD2 LYS 96 lone 4 39 - 10 - HB2 LEU 45 - HD2 LYS 20 lone 4 84 - 4 - HB2 LEU 45 - HD3 LYS 73 lone 4 71 - 5 - HB2 LYS 16 - HD2 LYS 20 lone 4 62 - 6 - HB3 LYS 16 - HD3 LYS 20 lone 4 63 - 6 - HB2 ARG 95 - HD2 LYS 20 lone 4 92 - 4 - HB2 LEU 45 - HD3 LYS 20 lone 4 82 - 4 - HB2 ARG 95 - HD3 LYS 20 lone 4 89 - 4 - HB2 LYS 16 - HD3 LYS 20 lone 4 59 - 6 - HB3 LYS 16 - HD2 LYS 73 lone 3 57 - 5 - HB2 LYS 16 - HD2 LYS 73 lone 3 54 - 6 - HB3 LYS 44 - HD2 LYS 20 lone 3 80 - 3 - HB3 LYS 16 - HD3 LYS 73 lone 3 53 - 5 - HB2 LYS 16 - HD3 LYS 73 lone 3 50 - 6 - HB3 LYS 44 - HD3 LYS 20 lone 3 77 - 3 - HG LEU 45 - HD2 LYS 20 lone 3 69 - 4 - HB2 LYS 96 - HG12 ILE 71 lone 3 99 - 3 - HG LEU 45 - HD3 LYS 20 lone 3 66 - 4 - HB2 ARG 95 - HD2 LYS 73 lone 2 82 - 3 - HG LEU 45 - HD2 LYS 73 lone 2 60 - 4 - HB2 LYS 44 - HD2 LYS 20 lone 2 65 - 3 - HB2 ARG 95 - HD3 LYS 73 lone 2 78 - 3 - HB2 LYS 44 - HD3 LYS 20 lone 2 63 - 3 - HG LEU 45 - HD3 LYS 73 lone 2 56 - 4 - HB2 LEU 45 - HD3 LYS 43 lone 2 71 - 3 - HB2 LEU 45 - HD3 LYS 96 lone 2 52 - 4 - HB2 ARG 95 - HD3 LYS 43 lone 2 78 - 2 - HB2 LEU 45 - HG12 ILE 71 lone 2 96 - 2 - HG LEU 45 - HD3 LYS 43 lone 1 56 - 3 - HB ILE 71 - HD2 LYS 20 lone 1 92 - 1 - HB ILE 71 - HD3 LYS 20 lone 1 89 - 1 - HG LEU 45 - HD3 LYS 96 lone 1 40 - 3 - HB2 LEU 45 - HD2 LYS 96 lone 1 44 - 3 - HG LEU 45 - HG12 ILE 71 lone 1 81 - 2 - HB3 LYS 123 - HD3 LYS 96 lone 1 31 - 4 - HB ILE 71 - HD3 LYS 96 lone 1 58 - 2 - HB3 LYS 44 - HG12 ILE 71 lone 1 92 - 1 - HB ILE 71 - HD2 LYS 96 lone 1 50 - 2 - HB3 LYS 123 - HD2 LYS 96 lone 1 26 - 4 - HB2 LYS 44 - HG12 ILE 71 lone 1 77 - 1 - HG LEU 45 - HD2 LYS 96 lone 1 34 - 3 - HB3 LYS 16 - HD3 LYS 43 lone 1 53 - 2 - HB2 LYS 16 - HD3 LYS 43 lone 1 50 - 2 - HB2 LYS 49 - HG12 ILE 71 lone 1 100 - 1 - HB2 LYS 20 - HG12 ILE 71 lone 1 98 - 1 - HB3 LYS 20 - HG12 ILE 71 lone 1 98 - 1 - HB3 LYS 16 - HG12 ILE 71 lone 1 77 - 1 - HB2 ARG 95 - HG12 ILE 71 lone 1 100 - 1 - HB3 LYS 123 - HD2 LYS 20 lone 1 55 - 1 - HB2 LYS 16 - HG12 ILE 71 lone 1 73 - 1 - HB2 GLU 128 - HD3 LYS 96 lone 1 56 - 1 - HB3 LYS 123 - HD3 LYS 20 lone 1 52 - 1 - HB3 LYS 123 - HD3 LYS 43 lone 1 44 - 1 - HB3 LYS 43 - HG12 ILE 71 lone 1 99 - 1 - HB3 LYS 16 - HD3 LYS 96 lone 1 38 - 1 - HB ILE 71 - HD3 LYS 43 lone 1 78 - 1 - HB2 LYS 16 - HD3 LYS 96 lone 1 36 - 1 - HB2 GLU 128 - HD2 LYS 96 lone 0 47 - 1 - HB ILE 7 - HD2 LYS 20 lone 0 90 - 1 - HB ILE 7 - HD3 LYS 20 lone 0 87 - 1 - HB2 LYS 43 - HG12 ILE 71 lone 0 90 - 0 - HB ILE 7 - HG12 ILE 71 lone 0 99 - 0 - HB3 LYS 123 - HD2 LYS 73 lone 0 47 - 1 - HB3 LYS 16 - HD2 LYS 96 lone 0 32 - 1 - HB2 GLU 128 - HG12 ILE 71 lone 0 99 - 0 - HB2 LYS 16 - HD2 LYS 96 lone 0 30 - 1 - HB3 LYS 123 - HD3 LYS 73 lone 0 44 - 1 - HB ILE 15 - HD2 LYS 73 lone 0 44 - 1 - HB ILE 7 - HD3 LYS 43 lone 0 77 - 0 - HB2 LYS 49 - HD2 LYS 20 lone 0 91 - 0 - HB ILE 15 - HD3 LYS 73 lone 0 41 - 1 - HB2 LYS 49 - HD3 LYS 20 lone 0 88 - 0 - HB ILE 7 - HD2 LYS 73 lone 0 81 - 0 - HB ILE 15 - HG12 ILE 71 lone 0 61 - 0 - HB ILE 7 - HD3 LYS 73 lone 0 77 - 0 - HB2 GLU 128 - HD2 LYS 20 lone 0 89 - 0 - HB2 GLU 128 - HD3 LYS 20 lone 0 86 - 0 - HB2 GLU 128 - HD2 LYS 73 lone 0 80 - 0 - HB2 GLU 128 - HD3 LYS 73 lone 0 75 - 0 - HB2 LYS 49 - HD2 LYS 73 lone 0 81 - 0 - HB2 GLU 128 - HD3 LYS 43 lone 0 75 - 0 - HB2 LYS 49 - HD3 LYS 73 lone 0 77 - 0 - HB ILE 7 - HD3 LYS 96 lone 0 57 - 0 - HB2 LYS 49 - HD3 LYS 96 lone 0 57 - 0 - HB2 LYS 49 - HD3 LYS 43 lone 0 77 - 0 - QE MET 67 - HD2 LYS 20 lone 0 62 - 0 - QE MET 67 - HD3 LYS 20 lone 0 59 - 0 - HB ILE 7 - HD2 LYS 96 lone 0 48 - 0 - HB2 LYS 49 - HD2 LYS 96 lone 0 49 - 0 - HB ILE 15 - HD2 LYS 20 lone 0 51 - 0 - QE MET 67 - HD2 LYS 73 lone 0 54 - 0 - HB ILE 15 - HD3 LYS 20 lone 0 49 - 0 - QE MET 67 - HD3 LYS 73 lone 0 50 - 0 - QE MET 67 - HD3 LYS 43 lone 0 50 - 0 - QE MET 67 - HD3 LYS 96 lone 0 36 - 0 - HB ILE 15 - HD3 LYS 43 lone 0 41 - 0 - QE MET 67 - HD2 LYS 96 lone 0 30 - 0 - HB ILE 15 - HD3 LYS 96 lone 0 29 - 0 - HB ILE 15 - HD2 LYS 96 lone 0 24 - 0 - Peak 5093 from cnoeabs.peaks (0.82, 1.69, 28.69 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 71 + HG12 ILE 71 OK 100 100 - 100 - 3.2=100 Peak 5094 from cnoeabs.peaks (1.69, 1.69, 28.69 ppm; diagonal): 7 out of 8 assignments used, quality = 1.00: * HG12 ILE 71 + HG12 ILE 71 OK 100 100 - 100 HD2 LYS 20 + HD2 LYS 20 OK 88 88 - 100 HD3 LYS 20 + HD3 LYS 20 OK 83 83 - 100 HD2 LYS 73 + HD2 LYS 73 OK 73 73 - 100 HD3 LYS 73 + HD3 LYS 73 OK 67 67 - 100 HD3 LYS 43 + HD3 LYS 43 OK 67 67 - 100 HD3 LYS 96 + HD3 LYS 96 OK 46 46 - 100 HD2 LYS 96 - HD2 LYS 96 OK 36 36 - 100 Peak 5095 from cnoeabs.peaks (1.02, 1.69, 28.69 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 71 + HG12 ILE 71 OK 100 100 - 100 - 1.8=100 Peak 5096 from cnoeabs.peaks (0.65, 1.69, 28.69 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 71 + HG12 ILE 71 OK 100 100 - 100 - 2.1=100 Peak 5097 from cnoeabs.peaks (8.60, 1.02, 28.69 ppm; 4.54 A): 1 out of 8 assignments used, quality = 0.99: * H ILE 71 + HG13 ILE 71 OK 99 100 - 99 - 4.6=97, 1471/2.1=33...(9) H ALA 124 - HG13 ILE 71 OK 25 100 - 25 - 5083/3.2=6, 5104/2.1=6...(5) H LEU 80 - HG13 ILE 71 OK 11 100 - 11 - 5104/2.1=3, 5083/3.2=2...(4) H LYS 94 - HG13 ILE 71 lone 8 96 - 9 - 5104/2.1=2...(4) H LYS 49 - HG13 ILE 71 lone 5 94 - 6 - 5104/2.1=2, 5083/3.2=1 H THR 108 - HG13 ILE 71 lone 4 98 - 4 - 5104/2.1=1 H ASP 12 - HG13 ILE 71 lone 3 87 - 3 - H GLN 85 - HG13 ILE 71 lone 1 61 - 2 - Peak 5098 from cnoeabs.peaks (3.74, 1.02, 28.69 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 71 + HG13 ILE 71 OK 100 100 - 100 - 3.9=100 Peak 5099 from cnoeabs.peaks (1.90, 1.02, 28.69 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 71 + HG13 ILE 71 OK 100 100 - 100 - 3.0=100 Peak 5100 from cnoeabs.peaks (0.82, 1.02, 28.69 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 71 + HG13 ILE 71 OK 100 100 - 100 - 3.2=100 Peak 5101 from cnoeabs.peaks (1.69, 1.02, 28.69 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 71 + HG13 ILE 71 OK 100 100 - 100 - 1.8=100 Peak 5102 from cnoeabs.peaks (1.02, 1.02, 28.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 71 + HG13 ILE 71 OK 100 100 - 100 Peak 5103 from cnoeabs.peaks (0.65, 1.02, 28.69 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 71 + HG13 ILE 71 OK 100 100 - 100 - 2.1=100 Peak 5104 from cnoeabs.peaks (8.60, 0.65, 14.72 ppm; 4.30 A): 3 out of 8 assignments used, quality = 0.95: * H ILE 71 + QD1 ILE 71 OK 92 100 - 92 - 5.0=64, 1470/2.1=36...(11) H ALA 124 + QD1 ILE 71 OK 25 100 - 25 - 5083/3.3=6, 5076/3.2=5...(6) H LEU 80 + QD1 ILE 71 OK 14 100 - 14 - 5097/2.1=2, 5083/3.3=2...(6) H LYS 94 - QD1 ILE 71 lone 8 96 - 8 - 5097/2.1=2, 5083/3.3=2...(4) H LYS 49 - QD1 ILE 71 lone 7 94 - 7 - 5083/3.3=1, 5097/2.1=1 H THR 108 - QD1 ILE 71 lone 4 98 - 4 - H ASP 12 - QD1 ILE 71 lone 3 87 - 3 - H GLN 85 - QD1 ILE 71 lone 2 61 - 3 - Peak 5105 from cnoeabs.peaks (3.74, 0.65, 14.72 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 71 + QD1 ILE 71 OK 100 100 - 100 - 4.2=100 Peak 5106 from cnoeabs.peaks (1.90, 0.65, 14.72 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 71 + QD1 ILE 71 OK 100 100 - 100 - 3.2=100 Peak 5107 from cnoeabs.peaks (0.82, 0.65, 14.72 ppm; 3.06 A): 3 out of 7 assignments used, quality = 0.93: * QG2 ILE 71 + QD1 ILE 71 OK 89 100 - 89 - 3.3=83, 4.0/1471=10...(10) QD1 LEU 74 + QD1 ILE 71 OK 21 100 - 21 - 9819/4.2=11, ~9789=3...(6) QD2 LEU 74 + QD1 ILE 71 OK 20 100 - 20 - 11347/4.2=10, ~9789=3...(5) QD1 LEU 64 - QD1 ILE 71 lone 6 100 - 6 - 9694/4.2=2, 4.7/10807=1 QD2 LEU 82 - QD1 ILE 71 lone 5 96 - 6 - 11396/9776=5 QD1 LEU 114 - QD1 ILE 71 lone 3 87 - 3 - QG1 VAL 29 - QD1 ILE 71 lone 0 70 - 1 - Peak 5108 from cnoeabs.peaks (1.69, 0.65, 14.72 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 71 + QD1 ILE 71 OK 100 100 - 100 - 2.1=100 Peak 5109 from cnoeabs.peaks (1.02, 0.65, 14.72 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 71 + QD1 ILE 71 OK 100 100 - 100 - 2.1=100 Peak 5110 from cnoeabs.peaks (0.65, 0.65, 14.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 71 + QD1 ILE 71 OK 100 100 - 100 Peak 5111 from cnoeabs.peaks (8.02, 4.37, 61.37 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * H SER 72 + HA SER 72 OK 100 100 - 100 - 2.9=100 Peak 5112 from cnoeabs.peaks (4.37, 4.37, 61.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 72 + HA SER 72 OK 100 100 - 100 Peak 5113 from cnoeabs.peaks (4.12, 4.37, 61.37 ppm; 3.48 A): 2 out of 2 assignments used, quality = 1.00: HB3 SER 72 + HA SER 72 OK 100 100 - 100 - 3.0=100 * HB2 SER 72 + HA SER 72 OK 100 100 - 100 - 3.0=100 Peak 5114 from cnoeabs.peaks (4.12, 4.37, 61.37 ppm; 3.48 A): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 72 + HA SER 72 OK 100 100 - 100 - 3.0=100 HB2 SER 72 + HA SER 72 OK 100 100 - 100 - 3.0=100 Peak 5115 from cnoeabs.peaks (8.02, 4.12, 62.78 ppm; 3.56 A): 1 out of 1 assignment used, quality = 0.60: H VAL 22 + HA VAL 22 OK 60 60 - 100 - 3.0=100 Reference assignment not found: H SER 72 - HB2 SER 72 Peak 5116 from cnoeabs.peaks (4.37, 4.12, 62.78 ppm; 3.62 A): 2 out of 2 assignments used, quality = 1.00: HA SER 72 + HB3 SER 72 OK 100 100 - 100 - 3.0=100 * HA SER 72 + HB2 SER 72 OK 100 100 - 100 - 3.0=100 Peak 5117 from cnoeabs.peaks (4.12, 4.12, 62.78 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 SER 72 + HB3 SER 72 OK 100 100 - 100 * HB2 SER 72 + HB2 SER 72 OK 100 100 - 100 HA VAL 22 + HA VAL 22 OK 71 71 - 100 Peak 5118 from cnoeabs.peaks (4.12, 4.12, 62.78 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 SER 72 + HB3 SER 72 OK 100 100 - 100 HB2 SER 72 + HB2 SER 72 OK 100 100 - 100 HA VAL 22 + HA VAL 22 OK 71 71 - 100 Reference assignment not found: HB3 SER 72 - HB2 SER 72 Peak 5119 from cnoeabs.peaks (8.02, 4.12, 62.78 ppm; 3.56 A): 1 out of 1 assignment used, quality = 0.60: H VAL 22 + HA VAL 22 OK 60 60 - 100 - 3.0=100 Reference assignment not found: H SER 72 - HB3 SER 72 Peak 5120 from cnoeabs.peaks (4.37, 4.12, 62.78 ppm; 3.62 A): 2 out of 2 assignments used, quality = 1.00: * HA SER 72 + HB3 SER 72 OK 100 100 - 100 - 3.0=100 HA SER 72 + HB2 SER 72 OK 100 100 - 100 - 3.0=100 Peak 5121 from cnoeabs.peaks (4.12, 4.12, 62.78 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 SER 72 + HB3 SER 72 OK 100 100 - 100 HB2 SER 72 + HB2 SER 72 OK 100 100 - 100 HA VAL 22 + HA VAL 22 OK 71 71 - 100 Reference assignment not found: HB2 SER 72 - HB3 SER 72 Peak 5122 from cnoeabs.peaks (4.12, 4.12, 62.78 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 SER 72 + HB3 SER 72 OK 100 100 - 100 HB2 SER 72 + HB2 SER 72 OK 100 100 - 100 HA VAL 22 + HA VAL 22 OK 71 71 - 100 Peak 5123 from cnoeabs.peaks (7.72, 4.29, 57.48 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 73 + HA LYS 73 OK 100 100 - 100 - 3.0=100 Peak 5124 from cnoeabs.peaks (4.29, 4.29, 57.48 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 73 + HA LYS 73 OK 100 100 - 100 Peak 5125 from cnoeabs.peaks (1.90, 4.29, 57.48 ppm; 3.45 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 73 + HA LYS 73 OK 100 100 - 100 - 3.0=100 HB3 LYS 73 + HA LYS 73 OK 100 100 - 100 - 3.0=100 Peak 5126 from cnoeabs.peaks (1.89, 4.29, 57.48 ppm; 3.45 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 73 + HA LYS 73 OK 100 100 - 100 - 3.0=100 HB2 LYS 73 + HA LYS 73 OK 100 100 - 100 - 3.0=100 Peak 5127 from cnoeabs.peaks (1.60, 4.29, 57.48 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 73 + HA LYS 73 OK 100 100 - 100 - 3.8=100 Peak 5128 from cnoeabs.peaks (1.48, 4.29, 57.48 ppm; 3.76 A): 1 out of 11 assignments used, quality = 0.98: * HG3 LYS 73 + HA LYS 73 OK 98 100 - 98 - 3.8=95, ~1480=14...(22) HG3 LYS 20 - HA LYS 73 OK 24 100 - 24 - 1481/3.0=4, 3.0/5174=3...(8) HB2 LEU 74 - HA LYS 73 OK 17 87 - 19 - 457/3.6=11, 1481/3.0=5, ~9814=2 HB3 LEU 45 - HA LYS 73 OK 13 96 - 13 - 1481/3.0=3, ~2126=2, 457/3.6=1 HG3 ARG 118 - HA LYS 73 lone 1 99 - 1 - HB3 LEU 38 - HA LYS 73 lone 1 70 - 1 - HD2 LYS 53 - HA LYS 73 lone 1 100 - 1 - HG12 ILE 57 - HA LYS 73 lone 1 65 - 1 - HG2 LYS 106 - HA LYS 73 lone 0 65 - 1 - HG12 ILE 7 - HA LYS 73 lone 0 61 - 1 - HG2 ARG 30 - HA LYS 73 lone 0 61 - 1 - Peak 5129 from cnoeabs.peaks (1.68, 4.29, 57.48 ppm; 3.88 A): 2 out of 22 assignments used, quality = 0.98: * HD2 LYS 73 + HA LYS 73 OK 87 100 - 87 - 5.5=36, 3.0/5128=19...(26) HD3 LYS 73 + HA LYS 73 OK 87 100 - 87 - 5.5=36, 3.0/5128=19...(26) HD3 LYS 20 - HA LYS 73 OK 35 100 - 35 - 5174=5, 3.0/5128=5...(11) HD2 LYS 20 - HA LYS 73 OK 35 100 - 35 - 5174=5, 3.0/5128=5...(11) HD3 LYS 43 - HA LYS 73 OK 28 100 - 29 - 5184=4, 1.8/5184=3...(7) HD2 LYS 43 - HA LYS 73 OK 28 98 - 29 - 5184=4, 1.8/5184=3...(7) HG12 ILE 71 - HA LYS 73 OK 16 94 - 17 - ~9814=4, ~9795=4...(7) HD2 LYS 96 - HA LYS 73 OK 14 99 - 14 - 5184=2, 1.8/5184=1, 5170/3.8=1 HD3 LYS 96 - HA LYS 73 OK 14 100 - 14 - 5184=2, 1.8/5184=1, 5170/3.8=1 HG LEU 74 - HA LYS 73 OK 12 61 - 19 - 5234/3.6=9, ~9814=3...(5) HD3 LYS 40 - HA LYS 73 lone 7 99 - 7 - HD2 LYS 40 - HA LYS 73 lone 7 100 - 7 - HD2 LYS 16 - HA LYS 73 lone 7 100 - 7 - 2770/3.6=1 HD3 LYS 16 - HA LYS 73 lone 7 99 - 7 - 2770/3.6=1 HD2 LYS 44 - HA LYS 73 lone 5 73 - 7 - ~1480=1 HD3 LYS 44 - HA LYS 73 lone 4 65 - 7 - ~1480=1 HG3 ARG 95 - HA LYS 73 lone 4 94 - 4 - HG3 LYS 39 - HA LYS 73 lone 2 81 - 2 - HD2 LYS 17 - HA LYS 73 lone 1 99 - 1 - HG3 LYS 123 - HA LYS 73 lone 1 81 - 2 - HB ILE 56 - HA LYS 73 lone 1 99 - 1 - HB ILE 54 - HA LYS 73 lone 1 100 - 1 - Peak 5130 from cnoeabs.peaks (1.68, 4.29, 57.48 ppm; 3.88 A): 2 out of 21 assignments used, quality = 0.98: * HD3 LYS 73 + HA LYS 73 OK 87 100 - 87 - 5.5=36, 3.0/5128=19...(26) HD2 LYS 73 + HA LYS 73 OK 87 100 - 87 - 5.5=36, 3.0/5128=19...(26) HD3 LYS 20 - HA LYS 73 OK 35 100 - 35 - 5174=5, 3.0/5128=5...(11) HD2 LYS 20 - HA LYS 73 OK 34 99 - 35 - 5174=5, 3.0/5128=5...(11) HD2 LYS 43 - HA LYS 73 OK 29 99 - 29 - 5184=4, 1.8/5184=3...(7) HD3 LYS 43 - HA LYS 73 OK 28 100 - 29 - 5184=4, 1.8/5184=3...(7) HG12 ILE 71 - HA LYS 73 OK 16 92 - 17 - ~9814=4, ~9795=4...(7) HD2 LYS 96 - HA LYS 73 OK 14 100 - 14 - 5184=2, 1.8/5184=1, 5170/3.8=1 HD3 LYS 96 - HA LYS 73 OK 14 100 - 14 - 5184=2, 1.8/5184=1, 5170/3.8=1 HD3 LYS 40 - HA LYS 73 lone 7 100 - 7 - HD2 LYS 40 - HA LYS 73 lone 7 100 - 7 - HD2 LYS 16 - HA LYS 73 lone 7 100 - 7 - 2770/3.6=1 HD3 LYS 16 - HA LYS 73 lone 7 99 - 7 - 2770/3.6=1 HD2 LYS 44 - HA LYS 73 lone 5 70 - 7 - ~1480=1 HD3 LYS 44 - HA LYS 73 lone 4 61 - 7 - ~1480=1 HG3 ARG 95 - HA LYS 73 lone 4 96 - 4 - HG3 LYS 39 - HA LYS 73 lone 2 77 - 2 - HD2 LYS 17 - HA LYS 73 lone 1 100 - 1 - HG3 LYS 123 - HA LYS 73 lone 1 77 - 2 - HB ILE 56 - HA LYS 73 lone 1 99 - 1 - HB ILE 54 - HA LYS 73 lone 1 100 - 1 - Peak 5133 from cnoeabs.peaks (7.72, 1.90, 32.15 ppm; 3.65 A): 4 out of 27 assignments used, quality = 1.00: * H LYS 73 + HB2 LYS 73 OK 91 100 - 91 - 4.0=78, 1480/2.9=22...(12) H LYS 73 + HB3 LYS 73 OK 91 100 - 91 - 4.0=78, 1480/2.9=22...(12) H LEU 70 + HB2 LYS 73 OK 51 98 - 52 - ~11081=10, 3.0/8160=10...(13) H LEU 70 + HB3 LYS 73 OK 51 98 - 52 - ~11081=10, 3.0/8160=10...(13) H GLU 47 - HB3 LYS 44 OK 18 64 - 29 - 2073/4.7=7, 2074/3.0=7...(10) H LYS 73 - HB2 LYS 20 OK 16 84 - 19 - 1481/2.9=4, 1479=2...(6) H LYS 73 - HB3 LYS 20 OK 16 84 - 19 - 1481/2.9=4, 1479=2...(6) H LYS 73 - HB3 LYS 44 OK 12 75 - 16 - 2127/3.0=5, 11318/4.7=3...(5) H LYS 73 - HB2 LYS 96 lone 7 93 - 8 - 2127/3.0=2, 1478=1 H GLU 47 - HB3 LYS 73 lone 7 92 - 8 - 5163/2.9=1, 5153/2.9=1 H GLU 47 - HB2 LYS 73 lone 7 92 - 8 - 5163/2.9=1, 5153/2.9=1 H LYS 73 - HB3 LYS 43 lone 6 78 - 8 - 1483/3.8=1, 1483/3.8=1 H GLU 47 - HB3 LYS 43 lone 6 67 - 9 - 3.6/9454=2, 4.6/273=2...(4) H LYS 73 - HB3 LYS 16 lone 5 63 - 9 - 452/4.0=5 H LYS 73 - HB2 LYS 43 lone 4 57 - 7 - 1483/3.8=1, 1483/3.8=1 H GLU 47 - HB2 LYS 96 lone 4 81 - 5 - 2074/3.0=1 H LEU 70 - HB3 LYS 20 lone 4 80 - 5 - H LEU 70 - HB2 LYS 20 lone 4 80 - 5 - H GLU 47 - HB2 LYS 43 lone 4 47 - 8 - 4.6/273=2, 3.6/8074=1...(4) H LEU 70 - HB2 LYS 96 lone 4 89 - 4 - H LEU 70 - HB3 LYS 44 lone 3 71 - 4 - H LEU 70 - HB3 LYS 43 lone 2 74 - 3 - H GLU 47 - HB2 LYS 20 lone 2 72 - 2 - H GLU 47 - HB3 LYS 20 lone 2 72 - 2 - H LEU 70 - HB2 LYS 43 lone 1 53 - 3 - H LEU 70 - HB3 LYS 16 lone 1 59 - 2 - H GLU 47 - HB3 LYS 16 lone 0 52 - 1 - Peak 5134 from cnoeabs.peaks (4.29, 1.90, 32.15 ppm; 3.27 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 73 + HB2 LYS 73 OK 100 100 - 100 - 3.0=100 HA LYS 73 + HB3 LYS 73 OK 100 100 - 100 - 3.0=100 Peak 5135 from cnoeabs.peaks (1.90, 1.90, 32.15 ppm; diagonal): 7 out of 9 assignments used, quality = 1.00: * HB2 LYS 73 + HB2 LYS 73 OK 100 100 - 100 HB3 LYS 73 + HB3 LYS 73 OK 100 100 - 100 HB2 LYS 96 + HB2 LYS 96 OK 89 89 - 100 HB2 LYS 20 + HB2 LYS 20 OK 81 81 - 100 HB3 LYS 20 + HB3 LYS 20 OK 81 81 - 100 HB3 LYS 43 + HB3 LYS 43 OK 74 74 - 100 HB3 LYS 44 + HB3 LYS 44 OK 61 61 - 100 HB3 LYS 16 - HB3 LYS 16 OK 44 44 - 100 HB2 LYS 43 - HB2 LYS 43 OK 43 43 - 100 Peak 5136 from cnoeabs.peaks (1.89, 1.90, 32.15 ppm; diagonal): 8 out of 9 assignments used, quality = 1.00: HB2 LYS 73 + HB2 LYS 73 OK 100 100 - 100 HB3 LYS 73 + HB3 LYS 73 OK 100 100 - 100 HB2 LYS 96 + HB2 LYS 96 OK 87 87 - 100 HB2 LYS 20 + HB2 LYS 20 OK 82 82 - 100 HB3 LYS 20 + HB3 LYS 20 OK 82 82 - 100 HB3 LYS 43 + HB3 LYS 43 OK 73 73 - 100 HB3 LYS 44 + HB3 LYS 44 OK 59 59 - 100 HB3 LYS 16 + HB3 LYS 16 OK 46 46 - 100 HB2 LYS 43 - HB2 LYS 43 OK 41 41 - 100 Reference assignment not found: HB3 LYS 73 - HB2 LYS 73 Peak 5137 from cnoeabs.peaks (1.60, 1.90, 32.15 ppm; 2.84 A): 3 out of 81 assignments used, quality = 1.00: * HG2 LYS 73 + HB2 LYS 73 OK 99 100 - 99 - 2.9=98, 1480/4.0=9...(23) HG2 LYS 73 + HB3 LYS 73 OK 99 100 - 99 - 2.9=98, 1480/4.0=9...(23) HG2 LYS 44 + HB3 LYS 44 OK 48 51 - 96 - 2.9=90, 1286/4.0=6...(32) HG2 LYS 44 - HB2 LYS 96 OK 20 66 - 30 - ~6075=3, 3931/3.0=2...(9) HG2 LYS 73 - HB3 LYS 20 OK 19 84 - 22 - ~3037=2, 114/3.9=1...(5) HG2 LYS 73 - HB2 LYS 20 OK 19 84 - 22 - ~3037=2, 114/3.9=1...(5) HG3 LYS 19 - HB3 LYS 16 OK 15 62 - 25 - 11217/3.0=5, ~7989=4...(8) HG2 LYS 73 - HB3 LYS 43 poor 10 78 - 12 - 5197/4.7=1, 5187/3.8=1 HG2 LYS 73 - HB2 LYS 96 lone 9 93 - 10 - HG2 LYS 73 - HB2 LYS 43 poor 7 57 - 13 - 5197/4.7=1, 5187/3.8=1 HD3 LYS 19 - HB3 LYS 16 poor 7 62 - 11 - 11217/3.0=5, ~11220=3...(4) HD2 LYS 19 - HB3 LYS 16 poor 7 62 - 11 - 11217/3.0=5, ~11220=3...(4) HG2 LYS 44 - HB3 LYS 43 poor 7 53 - 12 - 1286/4.7=4 HG2 LYS 73 - HB3 LYS 44 lone 5 75 - 6 - HG2 LYS 44 - HB2 LYS 43 poor 4 37 - 12 - 1286/4.7=4 HG2 LYS 73 - HB3 LYS 16 lone 4 63 - 7 - 7671/4.0=2, 11217/3.0=2 HG2 LYS 44 - HB2 LYS 73 lone 4 77 - 5 - 1480/4.0=1 HG2 LYS 44 - HB3 LYS 73 lone 4 77 - 5 - 1480/4.0=1 HG LEU 68 - HB3 LYS 73 lone 4 94 - 4 - HG LEU 68 - HB2 LYS 73 lone 4 94 - 4 - HG3 LYS 19 - HB2 LYS 20 lone 3 84 - 4 - 114/3.9=3 HG3 LYS 19 - HB3 LYS 20 lone 3 84 - 4 - 114/3.9=3 HD2 LYS 19 - HB2 LYS 20 lone 2 83 - 3 - 114/3.9=2 HD2 LYS 19 - HB3 LYS 20 lone 2 83 - 3 - 114/3.9=2 HD3 LYS 19 - HB2 LYS 20 lone 2 83 - 3 - 114/3.9=2 HD3 LYS 19 - HB3 LYS 20 lone 2 83 - 3 - 114/3.9=2 HG LEU 68 - HB3 LYS 20 lone 2 75 - 2 - HG LEU 68 - HB2 LYS 20 lone 2 75 - 2 - HG LEU 82 - HB3 LYS 16 lone 1 62 - 2 - HG2 LYS 44 - HB3 LYS 20 lone 1 58 - 2 - HG2 LYS 44 - HB2 LYS 20 lone 1 58 - 2 - HG LEU 68 - HB3 LYS 43 lone 1 69 - 2 - HG3 LYS 19 - HB3 LYS 73 lone 1 100 - 1 - HG3 LYS 19 - HB2 LYS 73 lone 1 100 - 1 - HG LEU 68 - HB3 LYS 44 lone 1 66 - 2 - HG LEU 68 - HB2 LYS 43 lone 1 49 - 2 - HG LEU 68 - HB2 LYS 96 lone 1 84 - 1 - HG LEU 82 - HB2 LYS 73 lone 1 100 - 1 - HG LEU 82 - HB3 LYS 73 lone 1 100 - 1 - HG2 LYS 44 - HB3 LYS 16 lone 1 41 - 2 - HD2 LYS 19 - HB2 LYS 73 lone 1 100 - 1 - HD3 LYS 19 - HB2 LYS 73 lone 1 100 - 1 - HD2 LYS 19 - HB3 LYS 73 lone 1 100 - 1 - HD3 LYS 19 - HB3 LYS 73 lone 1 100 - 1 - HG3 LYS 19 - HB3 LYS 43 lone 1 78 - 1 - HG LEU 68 - HB3 LYS 16 lone 1 54 - 1 - HB3 LEU 127 - HB2 LYS 73 lone 1 73 - 1 - HB3 LEU 127 - HB3 LYS 73 lone 1 73 - 1 - HB3 LEU 127 - HB2 LYS 96 lone 1 63 - 1 - HG12 ILE 116 - HB2 LYS 73 lone 0 84 - 1 - HG12 ILE 116 - HB2 LYS 96 lone 0 73 - 1 - HG LEU 82 - HB2 LYS 96 lone 0 93 - 0 - HG12 ILE 116 - HB3 LYS 73 lone 0 84 - 1 - HG12 ILE 116 - HB3 LYS 44 lone 0 56 - 1 - HG LEU 82 - HB3 LYS 44 lone 0 75 - 0 - HG12 ILE 116 - HB3 LYS 16 lone 0 46 - 1 - HG3 LYS 19 - HB2 LYS 43 lone 0 56 - 1 - HG3 LYS 19 - HB2 LYS 96 lone 0 93 - 0 - HB3 LEU 127 - HB3 LYS 43 lone 0 50 - 1 - HG LEU 82 - HB3 LYS 20 lone 0 84 - 0 - HG LEU 82 - HB2 LYS 20 lone 0 84 - 0 - HG3 LYS 19 - HB3 LYS 44 lone 0 75 - 0 - HD2 LYS 19 - HB3 LYS 44 lone 0 74 - 0 - HD3 LYS 19 - HB3 LYS 44 lone 0 74 - 0 - HD2 LYS 19 - HB3 LYS 43 lone 0 77 - 0 - HD3 LYS 19 - HB3 LYS 43 lone 0 77 - 0 - HG12 ILE 116 - HB3 LYS 43 lone 0 59 - 0 - HD2 LYS 19 - HB2 LYS 96 lone 0 92 - 0 - HD3 LYS 19 - HB2 LYS 96 lone 0 92 - 0 - HB3 LEU 127 - HB3 LYS 44 lone 0 48 - 1 - HG LEU 82 - HB3 LYS 43 lone 0 78 - 0 - HG12 ILE 116 - HB3 LYS 20 lone 0 64 - 0 - HG12 ILE 116 - HB2 LYS 20 lone 0 64 - 0 - HB3 LEU 127 - HB3 LYS 20 lone 0 55 - 0 - HB3 LEU 127 - HB2 LYS 20 lone 0 55 - 0 - HB3 LEU 127 - HB2 LYS 43 lone 0 35 - 1 - HD2 LYS 19 - HB2 LYS 43 lone 0 56 - 0 - HD3 LYS 19 - HB2 LYS 43 lone 0 56 - 0 - HG12 ILE 116 - HB2 LYS 43 lone 0 41 - 0 - HG LEU 82 - HB2 LYS 43 lone 0 56 - 0 - HB3 LEU 127 - HB3 LYS 16 lone 0 39 - 0 - Peak 5138 from cnoeabs.peaks (1.48, 1.90, 32.15 ppm; 2.79 A): 4 out of 99 assignments used, quality = 1.00: * HG3 LYS 73 + HB2 LYS 73 OK 97 100 - 97 - 2.9=93, 5128/3.0=9...(23) HG3 LYS 73 + HB3 LYS 73 OK 97 100 - 97 - 2.9=93, 5128/3.0=9...(23) HG3 LYS 20 + HB3 LYS 20 OK 80 84 - 96 - 2.9=89, 3037/3.0=11...(24) HG3 LYS 20 + HB2 LYS 20 OK 80 84 - 96 - 2.9=89, 3037/3.0=11...(24) HG3 LYS 73 - HB3 LYS 20 OK 20 84 - 24 - 3037/3.0=3, 1144/3.9=2...(5) HG3 LYS 73 - HB2 LYS 20 OK 20 84 - 24 - 3037/3.0=3, 1144/3.9=2...(5) HG3 LYS 20 - HB3 LYS 43 OK 18 78 - 23 - 3073/3.0=4, ~3063=3...(5) HG3 LYS 20 - HB2 LYS 73 OK 18 100 - 18 - 5128/3.0=2, 1481/4.0=1...(4) HG3 LYS 20 - HB3 LYS 73 OK 18 100 - 18 - 5128/3.0=2, 1481/4.0=1...(4) HG3 LYS 20 - HB2 LYS 43 OK 13 56 - 23 - 3073/3.0=4, ~3063=3...(5) HB3 LEU 45 - HB2 LYS 73 OK 11 96 - 12 - 5128/3.0=1, 1481/4.0=1 HB3 LEU 45 - HB3 LYS 73 OK 11 95 - 12 - 5128/3.0=1, 1481/4.0=1 HB3 LEU 45 - HB3 LYS 44 poor 10 68 - 15 - 1295/4.7=7, 3.0/4013=1...(4) HG3 LYS 73 - HB3 LYS 43 poor 10 78 - 12 - 5170/3.8=1, 5170/3.8=1 HG3 LYS 73 - HB2 LYS 96 lone 9 93 - 9 - HG3 LYS 20 - HB2 LYS 96 lone 8 93 - 8 - HB2 LEU 74 - HB2 LYS 73 lone 7 87 - 9 - 457/4.3=4, 1481/4.0=2 HB2 LEU 74 - HB3 LYS 73 lone 7 87 - 9 - 457/4.3=4, 1481/4.0=2 HG3 LYS 73 - HB2 LYS 43 poor 7 57 - 13 - 5170/3.8=1, 5170/3.8=1 HB3 LEU 45 - HB2 LYS 20 lone 6 77 - 7 - HB3 LEU 45 - HB3 LYS 20 lone 6 77 - 7 - HB3 LEU 45 - HB3 LYS 43 lone 5 71 - 7 - 4.3/273=1, 4.0/1294=1 HG3 LYS 73 - HB3 LYS 44 lone 5 75 - 7 - 1295/4.7=1 HB3 LEU 45 - HB2 LYS 43 lone 4 50 - 8 - 4.3/273=1, 4.0/1294=1 HB3 LEU 45 - HB2 LYS 96 lone 4 86 - 4 - HG3 LYS 73 - HB3 LYS 16 lone 3 63 - 5 - 7672/4.0=1 HG3 LYS 20 - HB3 LYS 16 lone 3 62 - 4 - HB3 LEU 38 - HB2 LYS 96 lone 2 59 - 4 - 4.6/7796=1 HG3 ARG 118 - HB3 LYS 20 lone 2 81 - 2 - HG3 ARG 118 - HB2 LYS 20 lone 2 81 - 2 - HG3 LYS 20 - HB3 LYS 44 lone 2 75 - 2 - HB2 LEU 74 - HB3 LYS 16 lone 2 48 - 4 - ~11277=1 HG12 ILE 57 - HB2 LYS 20 lone 2 48 - 3 - 1144/3.9=1 HG12 ILE 57 - HB3 LYS 20 lone 2 48 - 3 - 1144/3.9=1 HB3 LEU 38 - HB2 LYS 20 lone 1 52 - 2 - HB3 LEU 38 - HB3 LYS 20 lone 1 52 - 2 - HB2 LEU 74 - HB3 LYS 20 lone 1 67 - 1 - HB2 LEU 74 - HB2 LYS 20 lone 1 67 - 1 - HB3 LEU 38 - HB2 LYS 73 lone 1 70 - 1 - HB3 LEU 38 - HB3 LYS 73 lone 1 69 - 1 - HB3 LEU 38 - HB3 LYS 16 lone 1 36 - 2 - HG3 ARG 118 - HB3 LYS 73 lone 1 99 - 1 - HG3 ARG 118 - HB2 LYS 73 lone 1 99 - 1 - HB3 LEU 45 - HB3 LYS 16 lone 0 56 - 1 - HG2 LYS 106 - HB2 LYS 96 lone 0 56 - 1 - HB3 LEU 38 - HB3 LYS 44 lone 0 45 - 1 - HD2 LYS 53 - HB2 LYS 73 lone 0 100 - 0 - HD2 LYS 53 - HB3 LYS 73 lone 0 100 - 0 - HB3 LEU 38 - HB3 LYS 43 lone 0 47 - 1 - HG12 ILE 57 - HB2 LYS 73 lone 0 65 - 1 - HG12 ILE 57 - HB3 LYS 73 lone 0 65 - 1 - HG2 LYS 106 - HB2 LYS 20 lone 0 48 - 1 - HG2 LYS 106 - HB3 LYS 20 lone 0 48 - 1 - HD2 LYS 53 - HB2 LYS 20 lone 0 84 - 0 - HD2 LYS 53 - HB3 LYS 20 lone 0 84 - 0 - HG12 ILE 7 - HB2 LYS 73 lone 0 61 - 0 - HG12 ILE 7 - HB3 LYS 73 lone 0 61 - 0 - HG12 ILE 7 - HB3 LYS 20 lone 0 45 - 1 - HG12 ILE 7 - HB2 LYS 20 lone 0 45 - 1 - HG3 ARG 118 - HB3 LYS 43 lone 0 75 - 0 - HB2 LEU 74 - HB2 LYS 96 lone 0 76 - 0 - HG2 LYS 106 - HB2 LYS 73 lone 0 65 - 0 - HG2 LYS 106 - HB3 LYS 73 lone 0 65 - 0 - HB2 LEU 74 - HB3 LYS 44 lone 0 59 - 0 - HG3 ARG 118 - HB2 LYS 96 lone 0 90 - 0 - HG3 ARG 118 - HB3 LYS 16 lone 0 60 - 0 - HG2 ARG 30 - HB2 LYS 73 lone 0 61 - 0 - HG2 ARG 30 - HB3 LYS 73 lone 0 61 - 0 - HG12 ILE 7 - HB2 LYS 96 lone 0 52 - 0 - HB3 LEU 38 - HB2 LYS 43 lone 0 32 - 1 - HD2 LYS 53 - HB2 LYS 96 lone 0 93 - 0 - HG2 ARG 30 - HB2 LYS 96 lone 0 52 - 0 - HB2 LEU 74 - HB3 LYS 43 lone 0 62 - 0 - HG3 ARG 118 - HB3 LYS 44 lone 0 72 - 0 - HG12 ILE 57 - HB3 LYS 16 lone 0 34 - 1 - HD2 LYS 53 - HB3 LYS 44 lone 0 75 - 0 - HG12 ILE 57 - HB3 LYS 43 lone 0 44 - 0 - HG12 ILE 57 - HB3 LYS 44 lone 0 42 - 0 - HD2 LYS 53 - HB3 LYS 43 lone 0 78 - 0 - HG2 LYS 106 - HB3 LYS 43 lone 0 44 - 0 - HG12 ILE 57 - HB2 LYS 96 lone 0 56 - 0 - HG2 LYS 106 - HB3 LYS 44 lone 0 42 - 0 - HG3 ARG 118 - HB2 LYS 43 lone 0 54 - 0 - HG2 ARG 30 - HB3 LYS 44 lone 0 39 - 0 - HG12 ILE 7 - HB3 LYS 43 lone 0 41 - 0 - HD2 LYS 53 - HB3 LYS 16 lone 0 62 - 0 - HG2 ARG 30 - HB3 LYS 20 lone 0 45 - 0 - HG2 ARG 30 - HB2 LYS 20 lone 0 45 - 0 - HB2 LEU 74 - HB2 LYS 43 lone 0 43 - 0 - HD2 LYS 53 - HB2 LYS 43 lone 0 56 - 0 - HG2 LYS 106 - HB3 LYS 16 lone 0 34 - 0 - HG2 LYS 106 - HB2 LYS 43 lone 0 30 - 0 - HG12 ILE 57 - HB2 LYS 43 lone 0 30 - 0 - HG2 ARG 30 - HB3 LYS 43 lone 0 41 - 0 - HG12 ILE 7 - HB3 LYS 44 lone 0 39 - 0 - HG12 ILE 7 - HB3 LYS 16 lone 0 31 - 0 - HG12 ILE 7 - HB2 LYS 43 lone 0 28 - 0 - HG2 ARG 30 - HB2 LYS 43 lone 0 28 - 0 - HG2 ARG 30 - HB3 LYS 16 lone 0 31 - 0 - Peak 5139 from cnoeabs.peaks (1.68, 1.90, 32.15 ppm; 2.60 A): 14 out of 198 assignments used, quality = 1.00: HD3 LYS 96 + HB2 LYS 96 OK 73 93 - 79 - 3.4=43, 6097/1.8=8...(36) HD2 LYS 96 + HB2 LYS 96 OK 72 91 - 79 - 3.4=43, 6097/1.8=8...(36) HD3 LYS 73 + HB3 LYS 73 OK 70 100 - 70 - 3.8=31, 5170/2.9=6...(35) HD3 LYS 73 + HB2 LYS 73 OK 70 100 - 70 - 3.8=31, 5170/2.9=6...(35) HD2 LYS 73 + HB3 LYS 73 OK 70 100 - 70 - 3.8=31, 5170/2.9=6...(35) * HD2 LYS 73 + HB2 LYS 73 OK 70 100 - 70 - 3.8=31, 5170/2.9=6...(35) HD3 LYS 20 + HB2 LYS 20 OK 65 84 - 77 - 3.4=43, 3079/2.9=6...(35) HD3 LYS 20 + HB3 LYS 20 OK 65 84 - 77 - 3.4=43, 3079/2.9=6...(35) HD2 LYS 20 + HB2 LYS 20 OK 64 83 - 77 - 3.4=43, 3079/2.9=6...(35) HD2 LYS 20 + HB3 LYS 20 OK 64 83 - 77 - 3.4=43, 3079/2.9=6...(35) HD3 LYS 43 + HB3 LYS 43 OK 52 78 - 66 - 3.8=31, 3847/3.0=6...(25) HD2 LYS 43 + HB3 LYS 43 OK 49 74 - 67 - 3.8=31, 3846/3.0=6...(25) HD2 LYS 16 + HB3 LYS 16 OK 47 62 - 75 - 3.6=37, 2756/3.0=7...(43) HD3 LYS 16 + HB3 LYS 16 OK 46 61 - 75 - 3.6=37, 2756/3.0=7...(45) HD3 LYS 43 - HB2 LYS 43 OK 38 56 - 67 - 3.8=31, 3847/3.0=6...(25) HD2 LYS 43 - HB2 LYS 43 OK 36 53 - 67 - 3.8=31, 3846/3.0=6...(24) HD2 LYS 44 - HB3 LYS 44 OK 35 48 - 73 - 3.7=36, 3954/2.9=4...(36) HD3 LYS 44 - HB3 LYS 44 OK 31 42 - 74 - 3.7=36, 3954/2.9=4...(36) HD3 LYS 96 - HB3 LYS 44 OK 26 75 - 35 - 6107/2.9=2, 6136/2.9=1...(4) HD2 LYS 96 - HB3 LYS 44 OK 25 73 - 35 - 6107/2.9=2, 6126/2.9=1...(4) HD2 LYS 44 - HB2 LYS 96 OK 24 63 - 39 - 6098/1.8=2, 3953=2...(14) HD2 LYS 73 - HB3 LYS 20 OK 23 84 - 28 - 3079/2.9=2, 3069/2.9=2 HD2 LYS 73 - HB2 LYS 20 OK 23 84 - 28 - 3079/2.9=2, 3069/2.9=2 HD3 LYS 73 - HB2 LYS 20 OK 23 84 - 28 - 3079/2.9=2, 3069/2.9=2 HD3 LYS 73 - HB3 LYS 20 OK 23 84 - 28 - 3079/2.9=2, 3069/2.9=2 HD3 LYS 43 - HB3 LYS 20 OK 23 84 - 28 - 3069/2.9=2, 3079/2.9=2...(4) HD3 LYS 43 - HB2 LYS 20 OK 23 84 - 28 - 3069/2.9=2, 3079/2.9=2...(4) HD2 LYS 43 - HB3 LYS 20 OK 22 80 - 28 - 3069/2.9=2, 3079/2.9=2...(4) HD2 LYS 43 - HB2 LYS 20 OK 22 80 - 28 - 3069/2.9=2, 3079/2.9=2...(4) HD3 LYS 44 - HB2 LYS 96 OK 21 56 - 38 - 3953=2, 1.8/3953=2...(14) HD3 LYS 20 - HB3 LYS 73 OK 20 100 - 21 - 5170/2.9=2, 5177/2.9=1 HD2 LYS 20 - HB3 LYS 73 OK 20 100 - 21 - 5170/2.9=2, 5177/2.9=1 HD3 LYS 20 - HB2 LYS 73 OK 20 100 - 21 - 5170/2.9=2, 5177/2.9=1 HD2 LYS 20 - HB2 LYS 73 OK 20 100 - 21 - 5170/2.9=2, 5177/2.9=1 HD3 LYS 43 - HB3 LYS 73 OK 20 100 - 20 - 5170/2.9=1, 5177/2.9=1 HD3 LYS 43 - HB2 LYS 73 OK 19 100 - 20 - 5170/2.9=1, 5177/2.9=1 HD2 LYS 43 - HB3 LYS 73 OK 19 98 - 20 - 5170/2.9=1, 5187/2.9=1 HD2 LYS 43 - HB2 LYS 73 OK 19 98 - 20 - 5170/2.9=1, 5187/2.9=1 HG3 ARG 95 - HB2 LYS 96 OK 19 84 - 22 - 6049=3, 1.8/6041=3...(7) HD3 LYS 20 - HB3 LYS 43 OK 18 78 - 23 - 3816/3.0=2, 3847/3.0=1...(5) HD2 LYS 20 - HB3 LYS 43 OK 17 77 - 23 - 3817/3.0=2, 3847/3.0=1...(5) HD2 LYS 40 - HB3 LYS 16 OK 15 62 - 24 - 2756/3.0=2, 2766/3.0=2...(5) HD3 LYS 40 - HB3 LYS 16 OK 15 61 - 24 - 2756/3.0=2, 2766/3.0=2...(5) HD3 LYS 73 - HB2 LYS 96 OK 13 93 - 14 - 6097/1.8=2 HD2 LYS 73 - HB2 LYS 96 OK 13 93 - 14 - 6097/1.8=2 HD3 LYS 20 - HB2 LYS 43 OK 13 56 - 23 - 3816/3.0=2, 3847/3.0=1...(5) HD2 LYS 20 - HB2 LYS 43 OK 13 56 - 23 - 3817/3.0=2, 3847/3.0=1...(5) HD2 LYS 73 - HB3 LYS 43 OK 13 78 - 16 - 3847/3.0=1 HD3 LYS 73 - HB3 LYS 43 OK 13 78 - 16 - 3847/3.0=1 HD3 LYS 20 - HB2 LYS 96 OK 13 93 - 14 - 6097/1.8=1 HD2 LYS 20 - HB2 LYS 96 OK 13 92 - 14 - 6097/1.8=1 HD3 LYS 43 - HB2 LYS 96 OK 11 93 - 12 - 6097/1.8=1 HD2 LYS 43 - HB2 LYS 96 OK 11 89 - 12 - 6097/1.8=1 HD2 LYS 40 - HB2 LYS 20 OK 10 83 - 12 - HD2 LYS 40 - HB3 LYS 20 OK 10 83 - 12 - HD3 LYS 40 - HB2 LYS 20 OK 10 82 - 12 - HD3 LYS 40 - HB3 LYS 20 OK 10 82 - 12 - HD2 LYS 73 - HB2 LYS 43 poor 9 57 - 17 - 3847/3.0=1 HD3 LYS 73 - HB2 LYS 43 poor 9 56 - 17 - 3847/3.0=1 HD2 LYS 96 - HB3 LYS 73 lone 9 99 - 9 - HD3 LYS 96 - HB3 LYS 73 lone 9 100 - 9 - HD2 LYS 96 - HB2 LYS 73 lone 9 99 - 9 - HD3 LYS 96 - HB2 LYS 73 lone 9 100 - 9 - HD2 LYS 40 - HB2 LYS 96 lone 9 92 - 9 - 6077/3.0=1 HD3 LYS 40 - HB2 LYS 96 lone 9 91 - 10 - 6077/3.0=1 HD3 LYS 96 - HB3 LYS 20 lone 8 84 - 9 - HD3 LYS 96 - HB2 LYS 20 lone 8 84 - 9 - HD2 LYS 40 - HB3 LYS 43 poor 8 77 - 10 - HD2 LYS 96 - HB3 LYS 20 lone 8 82 - 10 - HD2 LYS 96 - HB2 LYS 20 lone 8 82 - 10 - HD3 LYS 40 - HB3 LYS 43 poor 8 76 - 10 - HD3 LYS 96 - HB3 LYS 43 lone 7 78 - 9 - HD2 LYS 96 - HB3 LYS 43 lone 7 76 - 9 - HG3 LYS 39 - HB2 LYS 96 lone 6 70 - 9 - 7476/4.1=2, 3598/4.6=1 HG3 ARG 95 - HB3 LYS 44 lone 6 66 - 10 - 6047/4.7=2, 6049=1, 1.8/6041=1 HD2 LYS 40 - HB2 LYS 43 poor 6 56 - 10 - HD3 LYS 40 - HB2 LYS 43 poor 6 55 - 10 - HD3 LYS 43 - HB3 LYS 44 lone 6 75 - 7 - HD2 LYS 40 - HB2 LYS 73 lone 5 100 - 5 - HD2 LYS 40 - HB3 LYS 73 lone 5 100 - 5 - HD3 LYS 40 - HB2 LYS 73 lone 5 99 - 5 - HD3 LYS 40 - HB3 LYS 73 lone 5 99 - 5 - HG3 LYS 123 - HB3 LYS 44 poor 5 54 - 10 - 2.9/7120=1, ~7120=1 HD2 LYS 43 - HB3 LYS 44 lone 5 71 - 7 - HD3 LYS 96 - HB2 LYS 43 lone 5 56 - 9 - HD2 LYS 17 - HB3 LYS 16 lone 5 61 - 8 - 2860/4.7=3, 4.8/7998=2 HD3 LYS 73 - HB3 LYS 44 lone 5 75 - 7 - HD2 LYS 73 - HB3 LYS 44 lone 5 75 - 7 - HD2 LYS 96 - HB2 LYS 43 lone 5 55 - 9 - HD2 LYS 44 - HB3 LYS 43 lone 5 50 - 9 - 3950/4.7=2 HD2 LYS 16 - HB2 LYS 73 lone 4 100 - 4 - HG3 ARG 95 - HB2 LYS 73 lone 4 94 - 4 - HD2 LYS 16 - HB3 LYS 73 lone 4 100 - 4 - HG12 ILE 71 - HB2 LYS 73 lone 4 94 - 4 - 4.6/1467=1 HG3 ARG 95 - HB3 LYS 73 lone 4 94 - 4 - HG12 ILE 71 - HB3 LYS 73 lone 4 94 - 4 - 4.6/1467=1 HD2 LYS 16 - HB2 LYS 20 lone 4 84 - 5 - HD2 LYS 16 - HB3 LYS 20 lone 4 84 - 5 - HD3 LYS 16 - HB2 LYS 73 lone 4 99 - 4 - HD3 LYS 44 - HB3 LYS 43 lone 4 44 - 9 - 3950/4.7=2 HD3 LYS 16 - HB2 LYS 20 lone 4 82 - 5 - HD3 LYS 16 - HB3 LYS 20 lone 4 82 - 5 - HD3 LYS 16 - HB3 LYS 73 lone 4 99 - 4 - HG3 ARG 95 - HB3 LYS 20 lone 4 75 - 5 - HG3 ARG 95 - HB2 LYS 20 lone 4 75 - 5 - HD2 LYS 17 - HB3 LYS 20 lone 4 82 - 4 - 4.8/7998=2 HD2 LYS 17 - HB2 LYS 20 lone 4 82 - 4 - 4.8/7998=2 HD3 LYS 20 - HB3 LYS 16 lone 3 62 - 5 - HD2 LYS 20 - HB3 LYS 16 lone 3 62 - 5 - HG LEU 74 - HB2 LYS 73 lone 3 61 - 5 - 5234/4.3=3 HG LEU 74 - HB3 LYS 73 lone 3 61 - 5 - 5234/4.3=3 HD2 LYS 44 - HB2 LYS 43 lone 3 35 - 9 - 3950/4.7=2 HD2 LYS 73 - HB3 LYS 16 lone 3 63 - 5 - HD3 LYS 73 - HB3 LYS 16 lone 3 62 - 5 - HD2 LYS 16 - HB2 LYS 96 lone 3 93 - 3 - HG3 LYS 39 - HB3 LYS 44 lone 3 54 - 5 - HD3 LYS 16 - HB2 LYS 96 lone 3 91 - 3 - HG3 LYS 123 - HB2 LYS 96 lone 3 70 - 4 - HD2 LYS 44 - HB3 LYS 73 lone 3 73 - 4 - HD2 LYS 44 - HB2 LYS 73 lone 3 73 - 4 - HD3 LYS 44 - HB2 LYS 43 lone 3 30 - 9 - 3950/4.7=2 HG3 ARG 95 - HB3 LYS 43 lone 3 69 - 4 - HD3 LYS 44 - HB2 LYS 73 lone 2 65 - 4 - HD3 LYS 44 - HB3 LYS 73 lone 2 65 - 4 - HD3 LYS 20 - HB3 LYS 44 lone 2 75 - 3 - HD2 LYS 20 - HB3 LYS 44 lone 2 74 - 3 - HG12 ILE 71 - HB2 LYS 96 lone 2 84 - 2 - HB ILE 56 - HB3 LYS 20 lone 2 82 - 2 - HB ILE 56 - HB2 LYS 20 lone 2 82 - 2 - HG3 ARG 95 - HB2 LYS 43 lone 2 49 - 3 - HG3 ARG 95 - HB3 LYS 16 lone 1 54 - 3 - HG LEU 74 - HB3 LYS 16 lone 1 31 - 4 - ~11277=1 HD2 LYS 40 - HB3 LYS 44 lone 1 74 - 2 - HG3 LYS 123 - HB3 LYS 43 lone 1 56 - 2 - HG3 LYS 39 - HB3 LYS 43 lone 1 56 - 2 - HD3 LYS 40 - HB3 LYS 44 lone 1 73 - 1 - HD2 LYS 16 - HB3 LYS 44 lone 1 75 - 1 - HD2 LYS 44 - HB3 LYS 20 lone 1 55 - 2 - HD2 LYS 44 - HB2 LYS 20 lone 1 55 - 2 - HD2 LYS 17 - HB3 LYS 43 lone 1 76 - 1 - HD2 LYS 16 - HB3 LYS 43 lone 1 78 - 1 - HG3 LYS 39 - HB2 LYS 73 lone 1 81 - 1 - HG3 LYS 39 - HB3 LYS 73 lone 1 80 - 1 - HD3 LYS 16 - HB3 LYS 43 lone 1 76 - 1 - HD3 LYS 44 - HB2 LYS 20 lone 1 48 - 2 - HD3 LYS 44 - HB3 LYS 20 lone 1 48 - 2 - HD3 LYS 16 - HB3 LYS 44 lone 1 73 - 1 - HD3 LYS 43 - HB3 LYS 16 lone 1 62 - 1 - HD2 LYS 17 - HB2 LYS 96 lone 1 91 - 1 - HB ILE 56 - HB2 LYS 96 lone 1 91 - 1 - HD2 LYS 43 - HB3 LYS 16 lone 1 59 - 1 - HD2 LYS 17 - HB2 LYS 73 lone 1 99 - 1 - HD2 LYS 17 - HB3 LYS 73 lone 1 99 - 1 - HG3 LYS 39 - HB2 LYS 20 lone 1 61 - 1 - HG3 LYS 39 - HB3 LYS 20 lone 1 61 - 1 - HD3 LYS 96 - HB3 LYS 16 lone 1 62 - 1 - HD2 LYS 96 - HB3 LYS 16 lone 1 61 - 1 - HG3 LYS 123 - HB2 LYS 73 lone 1 81 - 1 - HG3 LYS 123 - HB2 LYS 43 lone 1 39 - 2 - HG3 LYS 39 - HB2 LYS 43 lone 1 39 - 2 - HG3 LYS 123 - HB3 LYS 73 lone 1 80 - 1 - HD2 LYS 17 - HB3 LYS 44 lone 1 73 - 1 - HD2 LYS 16 - HB2 LYS 43 lone 1 56 - 1 - HB ILE 56 - HB3 LYS 16 lone 1 61 - 1 - HD2 LYS 44 - HB3 LYS 16 lone 1 39 - 2 - HG12 ILE 71 - HB3 LYS 44 lone 1 66 - 1 - HD3 LYS 16 - HB2 LYS 43 lone 1 55 - 1 - HD3 LYS 44 - HB3 LYS 16 lone 1 34 - 2 - HB ILE 54 - HB3 LYS 20 lone 1 83 - 1 - HB ILE 54 - HB2 LYS 20 lone 1 83 - 1 - HG12 ILE 71 - HB2 LYS 20 lone 1 75 - 1 - HG12 ILE 71 - HB3 LYS 20 lone 1 75 - 1 - HD2 LYS 17 - HB2 LYS 43 lone 1 55 - 1 - HB ILE 56 - HB2 LYS 73 lone 0 99 - 0 - HB ILE 56 - HB3 LYS 73 lone 0 99 - 0 - HB ILE 56 - HB3 LYS 43 lone 0 76 - 1 - HB ILE 54 - HB2 LYS 96 lone 0 92 - 0 - HG3 LYS 123 - HB3 LYS 16 lone 0 44 - 1 - HG LEU 74 - HB2 LYS 20 lone 0 45 - 1 - HG LEU 74 - HB3 LYS 20 lone 0 45 - 1 - HB ILE 54 - HB3 LYS 73 lone 0 100 - 0 - HB ILE 54 - HB2 LYS 73 lone 0 100 - 0 - HG12 ILE 71 - HB3 LYS 16 lone 0 54 - 1 - HG12 ILE 71 - HB3 LYS 43 lone 0 69 - 0 - HG3 LYS 123 - HB2 LYS 20 lone 0 61 - 1 - HG3 LYS 123 - HB3 LYS 20 lone 0 61 - 1 - HB ILE 56 - HB3 LYS 44 lone 0 73 - 0 - HB ILE 54 - HB3 LYS 16 lone 0 62 - 0 - HG3 LYS 39 - HB3 LYS 16 lone 0 44 - 1 - HB ILE 56 - HB2 LYS 43 lone 0 55 - 1 - HB ILE 54 - HB3 LYS 44 lone 0 74 - 0 - HB ILE 54 - HB3 LYS 43 lone 0 77 - 0 - HG12 ILE 71 - HB2 LYS 43 lone 0 49 - 0 - HB ILE 54 - HB2 LYS 43 lone 0 56 - 0 - HG LEU 74 - HB2 LYS 96 lone 0 52 - 0 - HG LEU 74 - HB3 LYS 44 lone 0 39 - 0 - HG LEU 74 - HB3 LYS 43 lone 0 41 - 0 - HG LEU 74 - HB2 LYS 43 lone 0 28 - 0 - Peak 5140 from cnoeabs.peaks (1.68, 1.90, 32.15 ppm; 2.60 A): 14 out of 189 assignments used, quality = 1.00: HD3 LYS 96 + HB2 LYS 96 OK 73 93 - 79 - 3.4=43, 6097/1.8=8...(36) HD2 LYS 96 + HB2 LYS 96 OK 73 92 - 79 - 3.4=43, 6097/1.8=8...(36) HD3 LYS 73 + HB3 LYS 73 OK 70 100 - 70 - 3.8=31, 5170/2.9=6...(35) * HD3 LYS 73 + HB2 LYS 73 OK 70 100 - 70 - 3.8=31, 5170/2.9=6...(35) HD2 LYS 73 + HB3 LYS 73 OK 70 100 - 70 - 3.8=31, 5170/2.9=6...(35) HD2 LYS 73 + HB2 LYS 73 OK 70 100 - 70 - 3.8=31, 5170/2.9=6...(35) HD3 LYS 20 + HB2 LYS 20 OK 64 83 - 77 - 3.4=43, 3079/2.9=6...(35) HD3 LYS 20 + HB3 LYS 20 OK 64 83 - 77 - 3.4=43, 3079/2.9=6...(35) HD2 LYS 20 + HB2 LYS 20 OK 64 82 - 77 - 3.4=43, 3079/2.9=6...(35) HD2 LYS 20 + HB3 LYS 20 OK 64 82 - 77 - 3.4=43, 3079/2.9=6...(35) HD3 LYS 43 + HB3 LYS 43 OK 52 78 - 66 - 3.8=31, 3846/3.0=6...(25) HD2 LYS 43 + HB3 LYS 43 OK 50 75 - 67 - 3.8=31, 3846/3.0=6...(25) HD2 LYS 16 + HB3 LYS 16 OK 47 62 - 75 - 3.6=37, 2756/3.0=7...(43) HD3 LYS 16 + HB3 LYS 16 OK 45 60 - 75 - 3.6=37, 2756/3.0=7...(45) HD3 LYS 43 - HB2 LYS 43 OK 38 57 - 67 - 3.8=31, 3846/3.0=6...(25) HD2 LYS 43 - HB2 LYS 43 OK 36 54 - 67 - 3.8=31, 3846/3.0=6...(24) HD2 LYS 44 - HB3 LYS 44 OK 33 45 - 73 - 3.7=36, 3954/2.9=3...(36) HD3 LYS 44 - HB3 LYS 44 OK 29 39 - 74 - 3.7=36, 3954/2.9=3...(36) HD2 LYS 96 - HB3 LYS 44 OK 26 74 - 35 - 6107/2.9=2, 6126/2.9=1...(4) HD3 LYS 96 - HB3 LYS 44 OK 26 75 - 35 - 6107/2.9=2, 6126/2.9=1...(4) HD3 LYS 73 - HB2 LYS 20 OK 23 84 - 28 - 3079/2.9=2, 3069/2.9=2 HD3 LYS 73 - HB3 LYS 20 OK 23 84 - 28 - 3079/2.9=2, 3069/2.9=2 HD2 LYS 73 - HB3 LYS 20 OK 23 84 - 28 - 3079/2.9=2, 3069/2.9=2 HD2 LYS 73 - HB2 LYS 20 OK 23 84 - 28 - 3079/2.9=2, 3069/2.9=2 HD3 LYS 43 - HB3 LYS 20 OK 23 84 - 28 - 3069/2.9=2, 3079/2.9=2...(4) HD3 LYS 43 - HB2 LYS 20 OK 23 84 - 28 - 3069/2.9=2, 3079/2.9=2...(4) HD2 LYS 44 - HB2 LYS 96 OK 23 59 - 38 - 6098/1.8=2, 1.8/3963=2...(14) HD2 LYS 43 - HB2 LYS 20 OK 23 81 - 28 - 3069/2.9=2, 3079/2.9=2...(4) HD2 LYS 43 - HB3 LYS 20 OK 23 81 - 28 - 3069/2.9=2, 3079/2.9=2...(4) HD3 LYS 20 - HB3 LYS 73 OK 20 100 - 21 - 5170/2.9=2, 5177/2.9=1 HD3 LYS 20 - HB2 LYS 73 OK 20 100 - 21 - 5170/2.9=2, 5177/2.9=1 HD2 LYS 20 - HB3 LYS 73 OK 20 99 - 21 - 5170/2.9=2, 5177/2.9=1 HD2 LYS 20 - HB2 LYS 73 OK 20 99 - 21 - 5170/2.9=2, 5177/2.9=1 HD3 LYS 44 - HB2 LYS 96 OK 20 52 - 38 - 1.8/3953=2, 3953=2...(14) HD2 LYS 43 - HB3 LYS 73 OK 20 99 - 20 - 5170/2.9=1, 5187/2.9=1 HD2 LYS 43 - HB2 LYS 73 OK 20 99 - 20 - 5170/2.9=1, 5187/2.9=1 HD3 LYS 43 - HB3 LYS 73 OK 20 100 - 20 - 5170/2.9=1, 5187/2.9=1 HD3 LYS 43 - HB2 LYS 73 OK 19 100 - 20 - 5170/2.9=1, 5187/2.9=1 HG3 ARG 95 - HB2 LYS 96 OK 19 86 - 22 - 6049=4, 1.8/6041=3...(7) HD3 LYS 20 - HB3 LYS 43 OK 17 77 - 23 - 3816/3.0=2, 3847/3.0=1...(5) HD2 LYS 20 - HB3 LYS 43 OK 17 76 - 23 - 3816/3.0=2, 3847/3.0=1...(5) HD2 LYS 40 - HB3 LYS 16 OK 15 62 - 24 - 2756/3.0=2, 2766/3.0=2...(5) HD3 LYS 40 - HB3 LYS 16 OK 15 62 - 24 - 2756/3.0=2, 2766/3.0=2...(5) HD3 LYS 73 - HB2 LYS 96 OK 13 93 - 14 - 6097/1.8=2 HD2 LYS 73 - HB2 LYS 96 OK 13 93 - 14 - 6097/1.8=2 HD3 LYS 20 - HB2 LYS 43 OK 13 56 - 23 - 3816/3.0=2, 3847/3.0=1...(5) HD3 LYS 73 - HB3 LYS 43 OK 13 78 - 16 - 3846/3.0=1 HD2 LYS 73 - HB3 LYS 43 OK 13 78 - 16 - 3847/3.0=1 HD2 LYS 20 - HB2 LYS 43 OK 13 55 - 23 - 3816/3.0=2, 3847/3.0=1...(5) HD3 LYS 20 - HB2 LYS 96 OK 13 92 - 14 - 6097/1.8=1 HD2 LYS 20 - HB2 LYS 96 OK 13 91 - 14 - 6097/1.8=1 HD3 LYS 43 - HB2 LYS 96 OK 11 93 - 12 - 6097/1.8=1 HD2 LYS 43 - HB2 LYS 96 OK 11 90 - 12 - 6097/1.8=1 HD2 LYS 40 - HB3 LYS 20 OK 10 84 - 12 - HD2 LYS 40 - HB2 LYS 20 OK 10 84 - 12 - HD3 LYS 40 - HB2 LYS 20 OK 10 83 - 12 - HD3 LYS 40 - HB3 LYS 20 OK 10 83 - 12 - HD3 LYS 73 - HB2 LYS 43 poor 9 57 - 17 - 3846/3.0=1 HD2 LYS 73 - HB2 LYS 43 poor 9 56 - 17 - 3847/3.0=1 HD2 LYS 96 - HB3 LYS 73 lone 9 100 - 9 - HD2 LYS 96 - HB2 LYS 73 lone 9 100 - 9 - HD3 LYS 96 - HB3 LYS 73 lone 9 100 - 9 - HD3 LYS 96 - HB2 LYS 73 lone 9 100 - 9 - HD3 LYS 40 - HB2 LYS 96 lone 9 92 - 10 - 6077/3.0=1 HD2 LYS 40 - HB2 LYS 96 lone 9 93 - 10 - 6077/3.0=1 HD3 LYS 96 - HB3 LYS 20 lone 8 84 - 9 - HD3 LYS 96 - HB2 LYS 20 lone 8 84 - 9 - HD2 LYS 40 - HB3 LYS 43 poor 8 78 - 10 - HD2 LYS 96 - HB3 LYS 20 lone 8 83 - 10 - HD2 LYS 96 - HB2 LYS 20 lone 8 83 - 10 - HD3 LYS 40 - HB3 LYS 43 poor 8 77 - 10 - HD3 LYS 96 - HB3 LYS 43 lone 7 78 - 9 - HD2 LYS 96 - HB3 LYS 43 lone 7 77 - 9 - HG3 ARG 95 - HB3 LYS 44 lone 7 68 - 10 - 6047/4.7=2, 6049=1, 1.8/6041=1 HG3 LYS 39 - HB2 LYS 96 lone 6 66 - 9 - 7476/4.1=2, 3598/4.6=1 HD2 LYS 40 - HB2 LYS 43 poor 6 56 - 10 - HD3 LYS 40 - HB2 LYS 43 poor 6 56 - 10 - HD2 LYS 40 - HB2 LYS 73 lone 5 100 - 5 - HD2 LYS 40 - HB3 LYS 73 lone 5 100 - 5 - HD3 LYS 40 - HB2 LYS 73 lone 5 100 - 5 - HD3 LYS 40 - HB3 LYS 73 lone 5 100 - 5 - HD3 LYS 43 - HB3 LYS 44 lone 5 75 - 7 - HD2 LYS 43 - HB3 LYS 44 lone 5 72 - 7 - HD3 LYS 96 - HB2 LYS 43 lone 5 56 - 9 - HD2 LYS 17 - HB3 LYS 16 lone 5 62 - 8 - 2860/4.7=3, 4.8/7998=2 HG3 LYS 123 - HB3 LYS 44 poor 5 51 - 10 - 2.9/7120=1, ~7120=1 HD2 LYS 96 - HB2 LYS 43 lone 5 56 - 9 - HD2 LYS 73 - HB3 LYS 44 lone 5 75 - 6 - HD3 LYS 73 - HB3 LYS 44 lone 5 75 - 6 - HG3 ARG 95 - HB2 LYS 73 lone 4 96 - 4 - HG3 ARG 95 - HB3 LYS 73 lone 4 95 - 4 - HD2 LYS 16 - HB2 LYS 73 lone 4 100 - 4 - HD2 LYS 44 - HB3 LYS 43 lone 4 47 - 9 - 3950/4.7=2 HD2 LYS 16 - HB3 LYS 73 lone 4 100 - 4 - HD2 LYS 16 - HB3 LYS 20 lone 4 84 - 5 - HD2 LYS 16 - HB2 LYS 20 lone 4 84 - 5 - HD3 LYS 16 - HB2 LYS 73 lone 4 99 - 4 - HG12 ILE 71 - HB2 LYS 73 lone 4 92 - 4 - 4.6/1467=1 HG3 ARG 95 - HB2 LYS 20 lone 4 77 - 5 - HG3 ARG 95 - HB3 LYS 20 lone 4 77 - 5 - HG12 ILE 71 - HB3 LYS 73 lone 4 92 - 4 - 4.6/1467=1 HD3 LYS 16 - HB3 LYS 73 lone 4 99 - 4 - HD3 LYS 16 - HB2 LYS 20 lone 4 81 - 5 - HD3 LYS 16 - HB3 LYS 20 lone 4 81 - 5 - HD3 LYS 44 - HB3 LYS 43 lone 4 41 - 9 - 3950/4.7=2 HD2 LYS 17 - HB2 LYS 20 lone 4 83 - 4 - 4.8/7998=2 HD2 LYS 17 - HB3 LYS 20 lone 4 83 - 4 - 4.8/7998=2 HD3 LYS 20 - HB3 LYS 16 lone 3 62 - 5 - HD2 LYS 20 - HB3 LYS 16 lone 3 61 - 5 - HD3 LYS 73 - HB3 LYS 16 lone 3 63 - 5 - HD2 LYS 73 - HB3 LYS 16 lone 3 62 - 5 - HD2 LYS 16 - HB2 LYS 96 lone 3 93 - 3 - HD2 LYS 44 - HB2 LYS 43 lone 3 32 - 9 - 3950/4.7=2 HG3 LYS 39 - HB3 LYS 44 lone 3 51 - 5 - HD3 LYS 16 - HB2 LYS 96 lone 3 90 - 3 - HG3 ARG 95 - HB3 LYS 43 lone 3 71 - 4 - HG3 LYS 123 - HB2 LYS 96 lone 3 66 - 4 - HD2 LYS 44 - HB3 LYS 73 lone 3 69 - 4 - HD2 LYS 44 - HB2 LYS 73 lone 3 70 - 4 - HD3 LYS 44 - HB2 LYS 43 lone 2 28 - 9 - 3950/4.7=2 HD3 LYS 44 - HB2 LYS 73 lone 2 61 - 4 - HD3 LYS 44 - HB3 LYS 73 lone 2 61 - 4 - HD3 LYS 20 - HB3 LYS 44 lone 2 74 - 3 - HD2 LYS 20 - HB3 LYS 44 lone 2 73 - 3 - HG12 ILE 71 - HB2 LYS 96 lone 2 81 - 2 - HG3 ARG 95 - HB2 LYS 43 lone 2 50 - 4 - HB ILE 56 - HB3 LYS 20 lone 2 81 - 2 - HB ILE 56 - HB2 LYS 20 lone 2 81 - 2 - HG3 ARG 95 - HB3 LYS 16 lone 2 56 - 3 - HD2 LYS 40 - HB3 LYS 44 lone 1 75 - 2 - HD3 LYS 40 - HB3 LYS 44 lone 1 74 - 1 - HD2 LYS 17 - HB3 LYS 43 lone 1 77 - 1 - HD2 LYS 16 - HB3 LYS 44 lone 1 75 - 1 - HD2 LYS 16 - HB3 LYS 43 lone 1 78 - 1 - HG3 LYS 123 - HB3 LYS 43 lone 1 53 - 2 - HG3 LYS 39 - HB3 LYS 43 lone 1 53 - 2 - HD2 LYS 44 - HB2 LYS 20 lone 1 52 - 2 - HD2 LYS 44 - HB3 LYS 20 lone 1 52 - 2 - HD3 LYS 16 - HB3 LYS 43 lone 1 75 - 1 - HG3 LYS 39 - HB2 LYS 73 lone 1 77 - 1 - HG3 LYS 39 - HB3 LYS 73 lone 1 77 - 1 - HD3 LYS 43 - HB3 LYS 16 lone 1 63 - 1 - HD2 LYS 17 - HB2 LYS 96 lone 1 92 - 1 - HD3 LYS 16 - HB3 LYS 44 lone 1 72 - 1 - HD2 LYS 43 - HB3 LYS 16 lone 1 60 - 1 - HD3 LYS 44 - HB3 LYS 20 lone 1 45 - 2 - HD3 LYS 44 - HB2 LYS 20 lone 1 45 - 2 - HD2 LYS 17 - HB2 LYS 73 lone 1 100 - 1 - HB ILE 56 - HB2 LYS 96 lone 1 90 - 1 - HD2 LYS 17 - HB3 LYS 73 lone 1 100 - 1 - HD3 LYS 96 - HB3 LYS 16 lone 1 62 - 1 - HD2 LYS 96 - HB3 LYS 16 lone 1 62 - 1 - HG3 LYS 39 - HB3 LYS 20 lone 1 58 - 1 - HG3 LYS 39 - HB2 LYS 20 lone 1 58 - 1 - HD2 LYS 17 - HB3 LYS 44 lone 1 74 - 1 - HG3 LYS 123 - HB2 LYS 73 lone 1 77 - 1 - HD2 LYS 16 - HB2 LYS 43 lone 1 56 - 1 - HG3 LYS 123 - HB3 LYS 73 lone 1 77 - 1 - HB ILE 56 - HB3 LYS 16 lone 1 60 - 1 - HG3 LYS 123 - HB2 LYS 43 lone 1 37 - 2 - HG3 LYS 39 - HB2 LYS 43 lone 1 37 - 2 - HG12 ILE 71 - HB3 LYS 44 lone 1 64 - 1 - HD3 LYS 16 - HB2 LYS 43 lone 1 54 - 1 - HD2 LYS 44 - HB3 LYS 16 lone 1 36 - 2 - HD3 LYS 44 - HB3 LYS 16 lone 1 31 - 2 - HB ILE 54 - HB2 LYS 20 lone 1 84 - 1 - HB ILE 54 - HB3 LYS 20 lone 1 84 - 1 - HG12 ILE 71 - HB2 LYS 20 lone 1 72 - 1 - HG12 ILE 71 - HB3 LYS 20 lone 1 72 - 1 - HD2 LYS 17 - HB2 LYS 43 lone 1 56 - 1 - HB ILE 56 - HB2 LYS 73 lone 0 99 - 0 - HB ILE 56 - HB3 LYS 73 lone 0 99 - 0 - HB ILE 54 - HB2 LYS 96 lone 0 93 - 0 - HB ILE 56 - HB3 LYS 43 lone 0 75 - 1 - HB ILE 54 - HB3 LYS 73 lone 0 100 - 0 - HG3 LYS 123 - HB3 LYS 16 lone 0 41 - 1 - HB ILE 54 - HB2 LYS 73 lone 0 100 - 0 - HG12 ILE 71 - HB3 LYS 16 lone 0 52 - 1 - HG12 ILE 71 - HB3 LYS 43 lone 0 67 - 0 - HB ILE 56 - HB3 LYS 44 lone 0 72 - 0 - HG3 LYS 123 - HB2 LYS 20 lone 0 58 - 1 - HG3 LYS 123 - HB3 LYS 20 lone 0 58 - 1 - HB ILE 54 - HB3 LYS 16 lone 0 62 - 0 - HB ILE 56 - HB2 LYS 43 lone 0 54 - 1 - HG3 LYS 39 - HB3 LYS 16 lone 0 41 - 1 - HB ILE 54 - HB3 LYS 44 lone 0 75 - 0 - HB ILE 54 - HB3 LYS 43 lone 0 78 - 0 - HG12 ILE 71 - HB2 LYS 43 lone 0 47 - 0 - HB ILE 54 - HB2 LYS 43 lone 0 56 - 0 - Peak 5141 from cnoeabs.peaks (2.98, 1.90, 32.15 ppm; 4.22 A): 20 out of 126 assignments used, quality = 1.00: * HE2 LYS 73 + HB2 LYS 73 OK 95 100 - 95 - 4.9=64, 5197/2.9=12...(52) HE2 LYS 73 + HB3 LYS 73 OK 95 100 - 95 - 4.9=64, 5197/2.9=12...(48) HE3 LYS 73 + HB2 LYS 73 OK 94 99 - 95 - 4.9=64, 5197/2.9=11...(49) HE3 LYS 73 + HB3 LYS 73 OK 94 99 - 95 - 4.9=64, 5197/2.9=11...(45) HE2 LYS 43 + HB3 LYS 43 OK 74 78 - 96 - 4.7=74, 3848/3.0=9...(54) HE3 LYS 43 + HB3 LYS 43 OK 69 73 - 95 - 4.7=74, 3848/3.0=9...(52) HE2 LYS 43 + HB2 LYS 43 OK 54 56 - 96 - 4.7=74, 3848/3.0=9...(54) HE3 LYS 43 + HB2 LYS 43 OK 49 52 - 95 - 4.7=74, 3848/3.0=9...(51) HE2 LYS 43 + HB2 LYS 73 OK 49 100 - 49 - 5197/2.9=4, 5171/2.9=4...(25) HE2 LYS 43 + HB3 LYS 73 OK 49 100 - 49 - 5197/2.9=4, 5171/2.9=4...(25) HE2 LYS 43 + HB3 LYS 20 OK 48 84 - 58 - 5198/2.9=3, 3884/2.9=3...(24) HE2 LYS 43 + HB2 LYS 20 OK 48 84 - 58 - 5198/2.9=3, 3884/2.9=3...(24) HE2 LYS 73 + HB3 LYS 20 OK 47 84 - 56 - 5198/2.9=3, 3884/2.9=2...(24) HE2 LYS 73 + HB2 LYS 20 OK 47 84 - 56 - 5198/2.9=3, 3884/2.9=2...(24) HE3 LYS 43 + HB2 LYS 73 OK 46 97 - 48 - 5171/2.9=4, 5197/2.9=4...(23) HE3 LYS 20 + HB2 LYS 20 OK 46 48 - 96 - 4.8=67, ~3071=6, ~3070=6...(68) HE3 LYS 20 + HB3 LYS 20 OK 46 48 - 96 - 4.8=67, ~3071=6, ~3070=6...(68) HE2 LYS 20 + HB2 LYS 20 OK 46 48 - 96 - 4.8=67, ~3071=6, ~3070=6...(68) HE2 LYS 20 + HB3 LYS 20 OK 46 48 - 96 - 4.8=67, ~3071=6, ~3070=6...(68) HE3 LYS 43 + HB3 LYS 73 OK 46 97 - 48 - 5171/2.9=4, 5197/2.9=4...(23) HE3 LYS 73 - HB3 LYS 20 OK 42 81 - 52 - 5198/2.9=3, 3884/2.9=2...(22) HE3 LYS 73 - HB2 LYS 20 OK 42 81 - 52 - 5198/2.9=3, 3884/2.9=2...(22) HE3 LYS 43 - HB3 LYS 20 OK 42 78 - 54 - 5198/2.9=3, 3884/2.9=3...(22) HE3 LYS 43 - HB2 LYS 20 OK 42 78 - 54 - 5198/2.9=3, 3884/2.9=3...(22) HE2 LYS 73 - HB3 LYS 43 OK 31 78 - 40 - 3848/3.0=3, 3885/3.0=2...(12) HE3 LYS 73 - HB3 LYS 43 OK 29 75 - 38 - 3848/3.0=3, ~3848=2...(12) HE2 LYS 20 - HB2 LYS 73 OK 26 65 - 40 - 5172/2.9=3, 5162/2.9=2...(19) HE3 LYS 20 - HB2 LYS 73 OK 26 65 - 40 - 5172/2.9=3, 5162/2.9=2...(19) HE2 LYS 20 - HB3 LYS 73 OK 26 65 - 40 - 5172/2.9=3, 5162/2.9=2...(18) HE3 LYS 20 - HB3 LYS 73 OK 26 65 - 40 - 5172/2.9=3, 5162/2.9=2...(18) HE2 LYS 73 - HB2 LYS 43 OK 23 57 - 40 - 3848/3.0=3, 3885/3.0=2...(12) HE3 LYS 73 - HB2 LYS 43 OK 21 54 - 39 - 3848/3.0=3, ~3848=2...(12) HE2 LYS 73 - HB2 LYS 96 OK 21 93 - 22 - ~6097=1, ~6098=1...(4) HE3 LYS 73 - HB2 LYS 96 OK 19 90 - 21 - ~6097=1, ~6098=1...(4) HE2 LYS 40 - HB3 LYS 20 OK 19 61 - 30 - ~3071=2, ~3070=2...(6) HE2 LYS 40 - HB2 LYS 20 OK 19 61 - 30 - ~3071=2, ~3070=2...(6) HE2 LYS 43 - HB2 LYS 96 OK 18 93 - 19 - ~6097=1, ~6098=1...(4) HE2 LYS 20 - HB3 LYS 43 OK 17 44 - 39 - 3849/3.0=2, ~3816=2...(13) HE3 LYS 20 - HB3 LYS 43 OK 17 44 - 39 - 3849/3.0=2, ~3816=2...(13) HE3 LYS 40 - HB2 LYS 20 OK 17 55 - 31 - ~3071=2, ~3070=2...(6) HE3 LYS 40 - HB3 LYS 20 OK 17 55 - 31 - ~3071=2, ~3070=2...(6) HE2 LYS 40 - HB3 LYS 16 OK 17 44 - 39 - ~6530=2, ~2771=2...(21) HE3 LYS 43 - HB2 LYS 96 OK 17 87 - 19 - ~6097=1, ~6098=1...(4) HE3 LYS 40 - HB3 LYS 16 OK 14 39 - 37 - ~2771=2, ~2766=2...(19) HE3 LYS 39 - HB3 LYS 44 OK 14 75 - 18 - HE2 LYS 40 - HB3 LYS 43 OK 14 56 - 24 - 6.4/8066=2, 3849/3.0=2...(5) HE2 LYS 39 - HB3 LYS 44 OK 14 74 - 18 - HE2 LYS 43 - HB3 LYS 44 OK 13 75 - 17 - 7.0/1275=1, 6.6/3813=1 HE3 LYS 40 - HB3 LYS 43 OK 12 50 - 25 - 6.4/8066=2, 3849/3.0=2...(5) HE3 LYS 39 - HB2 LYS 96 OK 12 93 - 13 - 7.3/7796=1, 3638/4.6=1 HE2 LYS 39 - HB2 LYS 96 OK 12 92 - 13 - 7.3/7796=1, 3638/4.6=1 HE3 LYS 43 - HB3 LYS 44 OK 12 69 - 17 - 7.0/1275=1, 6.6/3813=1 HE3 LYS 20 - HB2 LYS 43 OK 12 30 - 39 - 3849/3.0=2, ~3816=2...(12) HE2 LYS 20 - HB2 LYS 43 OK 12 30 - 39 - 3849/3.0=2, ~3816=2...(12) HE2 LYS 40 - HB2 LYS 73 OK 12 81 - 14 - 5172/2.9=1, 5162/2.9=1 HE2 LYS 40 - HB3 LYS 73 OK 11 80 - 14 - 5172/2.9=1, 5162/2.9=1 HE2 LYS 40 - HB2 LYS 96 OK 11 70 - 16 - 6.4/8066=2, ~6077=1, ~6078=1 HE2 LYS 73 - HB3 LYS 44 OK 11 75 - 15 - HE3 LYS 20 - HB2 LYS 96 OK 11 56 - 20 - ~6097=1, ~6098=1...(4) HE2 LYS 20 - HB2 LYS 96 OK 11 56 - 20 - ~6097=1, ~6098=1...(4) HE3 LYS 39 - HB2 LYS 73 OK 11 100 - 11 - HE3 LYS 39 - HB3 LYS 73 OK 11 100 - 11 - HE2 LYS 39 - HB2 LYS 73 OK 11 100 - 11 - HE2 LYS 39 - HB3 LYS 73 OK 11 100 - 11 - HE3 LYS 40 - HB2 LYS 73 OK 11 73 - 15 - 5172/2.9=1 HE3 LYS 40 - HB3 LYS 73 OK 11 73 - 15 - 5172/2.9=1 HE3 LYS 73 - HB3 LYS 44 OK 11 72 - 15 - HE3 LYS 40 - HB2 LYS 96 poor 10 63 - 16 - 6.4/8066=2, ~6077=1, ~6078=1 HE2 LYS 40 - HB2 LYS 43 poor 10 39 - 24 - 6.4/8066=2, 3849/3.0=2...(5) HE3 LYS 40 - HB2 LYS 43 poor 9 35 - 25 - 6.4/8066=2, 3849/3.0=2...(5) HE3 LYS 39 - HB3 LYS 43 lone 7 78 - 9 - HE2 LYS 39 - HB3 LYS 43 lone 7 77 - 9 - HE3 LYS 39 - HB2 LYS 20 lone 7 84 - 8 - HE3 LYS 39 - HB3 LYS 20 lone 7 84 - 8 - HE2 LYS 39 - HB3 LYS 20 lone 7 83 - 8 - HE2 LYS 39 - HB2 LYS 20 lone 7 83 - 8 - HE3 LYS 39 - HB2 LYS 43 lone 5 56 - 9 - HD3 ARG 118 - HB2 LYS 20 lone 5 70 - 7 - ~7402=1, ~7401=1 HD3 ARG 118 - HB3 LYS 20 lone 5 70 - 7 - ~7402=1, ~7401=1 HE2 LYS 39 - HB2 LYS 43 lone 5 56 - 9 - HE2 LYS 73 - HB3 LYS 16 lone 4 63 - 6 - HE3 LYS 73 - HB3 LYS 16 lone 4 60 - 6 - HE3 LYS 20 - HB3 LYS 16 lone 3 34 - 8 - HE2 LYS 20 - HB3 LYS 16 lone 3 34 - 8 - HE3 LYS 20 - HB3 LYS 44 lone 2 42 - 5 - HE2 LYS 20 - HB3 LYS 44 lone 2 42 - 5 - HE2 LYS 40 - HB3 LYS 44 lone 2 54 - 3 - HE2 LYS 43 - HB3 LYS 16 lone 2 62 - 3 - HE3 LYS 40 - HB3 LYS 44 lone 2 48 - 4 - HE3 LYS 43 - HB3 LYS 16 lone 2 57 - 3 - HD3 ARG 118 - HB2 LYS 73 lone 1 90 - 1 - HD3 ARG 118 - HB3 LYS 73 lone 1 89 - 1 - HE3 LYS 39 - HB3 LYS 16 lone 1 62 - 2 - HE2 LYS 39 - HB3 LYS 16 lone 1 62 - 2 - HB2 ASN 24 - HB2 LYS 73 lone 1 77 - 1 - HB3 ASN 24 - HB2 LYS 73 lone 1 77 - 1 - HB2 ASN 24 - HB3 LYS 73 lone 1 77 - 1 - HB3 ASN 24 - HB3 LYS 73 lone 1 77 - 1 - HB3 PHE 51 - HB2 LYS 73 lone 1 77 - 1 - HB3 ASN 24 - HB2 LYS 20 lone 1 58 - 1 - HB2 ASN 24 - HB3 LYS 20 lone 1 58 - 1 - HB2 ASN 24 - HB2 LYS 20 lone 1 58 - 1 - HB3 ASN 24 - HB3 LYS 20 lone 1 58 - 1 - HB3 PHE 51 - HB3 LYS 73 lone 1 77 - 1 - HD3 ARG 118 - HB2 LYS 96 lone 1 79 - 1 - HD3 ARG 118 - HB3 LYS 43 lone 1 64 - 1 - HB3 ASN 24 - HB3 LYS 43 lone 0 53 - 1 - HB2 ASN 24 - HB3 LYS 43 lone 0 53 - 1 - HD3 ARG 118 - HB3 LYS 16 lone 0 50 - 1 - HB2 ASN 24 - HB2 LYS 96 lone 0 66 - 1 - HB3 ASN 24 - HB2 LYS 96 lone 0 66 - 1 - HB3 PHE 51 - HB2 LYS 96 lone 0 66 - 1 - HD3 ARG 118 - HB3 LYS 44 lone 0 61 - 1 - HB3 PHE 51 - HB3 LYS 20 lone 0 58 - 1 - HB3 PHE 51 - HB2 LYS 20 lone 0 58 - 1 - HD3 ARG 118 - HB2 LYS 43 lone 0 45 - 1 - HB3 PHE 51 - HB3 LYS 43 lone 0 53 - 1 - HB2 ASN 24 - HB3 LYS 44 lone 0 51 - 1 - HB3 ASN 24 - HB3 LYS 44 lone 0 51 - 1 - HB3 PHE 51 - HB3 LYS 44 lone 0 51 - 1 - HB3 ASN 24 - HB2 LYS 43 lone 0 37 - 1 - HB2 ASN 24 - HB2 LYS 43 lone 0 37 - 1 - HB3 ASN 24 - HB3 LYS 16 lone 0 41 - 1 - HB2 ASN 24 - HB3 LYS 16 lone 0 41 - 1 - HB3 PHE 51 - HB3 LYS 16 lone 0 41 - 1 - HB3 PHE 51 - HB2 LYS 43 lone 0 37 - 1 - Peak 5142 from cnoeabs.peaks (2.98, 1.90, 32.15 ppm; 3.87 A): 12 out of 126 assignments used, quality = 1.00: * HE3 LYS 73 + HB2 LYS 73 OK 90 100 - 90 - 4.9=50, 5197/2.9=10...(39) HE3 LYS 73 + HB3 LYS 73 OK 90 100 - 90 - 4.9=50, 5197/2.9=10...(40) HE2 LYS 73 + HB2 LYS 73 OK 89 99 - 91 - 4.9=50, 5197/2.9=10...(43) HE2 LYS 73 + HB3 LYS 73 OK 89 99 - 90 - 4.9=50, 5197/2.9=10...(43) HE2 LYS 43 + HB3 LYS 43 OK 69 77 - 90 - 4.7=57, 3848/3.0=8...(48) HE3 LYS 43 + HB3 LYS 43 OK 69 78 - 89 - 4.7=57, 3848/3.0=8...(46) HE3 LYS 20 + HB2 LYS 20 OK 59 64 - 91 - 4.8=51, 3070/2.9=6...(52) HE3 LYS 20 + HB3 LYS 20 OK 59 64 - 91 - 4.8=51, 3070/2.9=6...(52) HE2 LYS 20 + HB2 LYS 20 OK 59 64 - 91 - 4.8=51, 3070/2.9=6...(52) HE2 LYS 20 + HB3 LYS 20 OK 59 64 - 91 - 4.8=51, 3070/2.9=6...(52) HE3 LYS 43 + HB2 LYS 43 OK 50 56 - 89 - 4.7=57, 3848/3.0=8...(47) HE2 LYS 43 + HB2 LYS 43 OK 50 56 - 90 - 4.7=57, 3848/3.0=8...(50) HE2 LYS 43 - HB2 LYS 73 OK 43 100 - 43 - 5197/2.9=4, 5171/2.9=4...(14) HE2 LYS 43 - HB3 LYS 73 OK 43 100 - 43 - 5197/2.9=4, 5171/2.9=4...(14) HE2 LYS 43 - HB2 LYS 20 OK 42 83 - 51 - 5198/2.9=3, 3884/2.9=3...(23) HE2 LYS 43 - HB3 LYS 20 OK 42 83 - 51 - 5198/2.9=3, 3884/2.9=3...(23) HE3 LYS 43 - HB2 LYS 73 OK 42 100 - 42 - 5171/2.9=3, 5197/2.9=3...(14) HE3 LYS 43 - HB3 LYS 73 OK 41 100 - 42 - 5171/2.9=3, 5197/2.9=3...(14) HE2 LYS 73 - HB2 LYS 20 OK 40 81 - 49 - 5198/2.9=3, 3884/2.9=2...(20) HE2 LYS 73 - HB3 LYS 20 OK 40 81 - 49 - 5198/2.9=3, 3884/2.9=2...(20) HE3 LYS 43 - HB3 LYS 20 OK 39 84 - 47 - 5198/2.9=2, 3884/2.9=2...(19) HE3 LYS 43 - HB2 LYS 20 OK 39 84 - 47 - 5198/2.9=2, 3884/2.9=2...(19) HE3 LYS 73 - HB2 LYS 20 OK 38 84 - 46 - 5198/2.9=2, 3884/2.9=2...(19) HE3 LYS 73 - HB3 LYS 20 OK 38 84 - 46 - 5198/2.9=2, 3884/2.9=2...(19) HE2 LYS 20 - HB2 LYS 73 OK 29 84 - 35 - 5172/2.9=2, 5162/2.9=2...(15) HE3 LYS 20 - HB2 LYS 73 OK 29 84 - 35 - 5172/2.9=2, 5162/2.9=2...(15) HE2 LYS 20 - HB3 LYS 73 OK 29 84 - 35 - 5172/2.9=2, 5162/2.9=2...(15) HE3 LYS 20 - HB3 LYS 73 OK 29 84 - 35 - 5172/2.9=2, 5162/2.9=2...(15) HE2 LYS 73 - HB3 LYS 43 OK 26 75 - 35 - 3848/3.0=3, 3885/3.0=2...(8) HE3 LYS 73 - HB3 LYS 43 OK 26 78 - 33 - 3848/3.0=3, ~3848=2...(7) HE2 LYS 40 - HB2 LYS 20 OK 20 75 - 27 - 3071/2.9=1, 3080/2.9=1...(6) HE2 LYS 40 - HB3 LYS 20 OK 20 75 - 27 - 3071/2.9=1, 3080/2.9=1...(6) HE2 LYS 20 - HB3 LYS 43 OK 20 59 - 34 - 3849/3.0=2, ~3849=1...(8) HE3 LYS 20 - HB3 LYS 43 OK 20 59 - 34 - 3849/3.0=2, ~3849=1...(8) HE3 LYS 40 - HB3 LYS 20 OK 19 70 - 28 - 3070/2.9=1, 3081/2.9=1...(6) HE3 LYS 40 - HB2 LYS 20 OK 19 70 - 28 - 3070/2.9=1, 3081/2.9=1...(6) HE2 LYS 73 - HB2 LYS 43 OK 19 54 - 35 - 3848/3.0=3, 3885/3.0=2...(8) HE3 LYS 73 - HB2 LYS 43 OK 19 57 - 33 - 3848/3.0=3, ~3848=2...(7) HE2 LYS 40 - HB3 LYS 16 OK 18 54 - 34 - 3723/3.0=2, ~6530=2...(18) HE2 LYS 73 - HB2 LYS 96 OK 17 90 - 19 - ~6097=1, ~6098=1...(4) HE3 LYS 73 - HB2 LYS 96 OK 17 93 - 18 - ~6097=1, ~6098=1...(4) HE3 LYS 40 - HB3 LYS 16 OK 16 50 - 33 - 3723/3.0=2, ~2771=1...(16) HE2 LYS 43 - HB2 LYS 96 OK 15 92 - 16 - ~6097=1 HE3 LYS 43 - HB2 LYS 96 OK 15 93 - 16 - ~6097=1 HE2 LYS 40 - HB3 LYS 43 OK 14 69 - 21 - 3849/3.0=2, 6.4/8066=2, ~3849=1 HE3 LYS 20 - HB2 LYS 43 OK 14 41 - 34 - 3849/3.0=2, ~3849=1...(8) HE2 LYS 20 - HB2 LYS 43 OK 14 41 - 34 - 3849/3.0=2, ~3849=1...(8) HE3 LYS 40 - HB3 LYS 43 OK 14 64 - 21 - 3849/3.0=2, 6.4/8066=2, ~3849=1 HE2 LYS 20 - HB2 LYS 96 OK 13 73 - 17 - ~6097=1, ~6098=1 HE3 LYS 20 - HB2 LYS 96 OK 13 73 - 17 - ~6097=1, ~6098=1 HE2 LYS 40 - HB2 LYS 73 OK 12 94 - 12 - HE3 LYS 40 - HB2 LYS 73 OK 12 90 - 13 - HE2 LYS 39 - HB3 LYS 44 OK 12 75 - 16 - HE2 LYS 40 - HB2 LYS 96 OK 12 84 - 14 - 6.4/8066=2 HE2 LYS 40 - HB3 LYS 73 OK 11 94 - 12 - HE3 LYS 40 - HB3 LYS 73 OK 11 89 - 13 - HE3 LYS 39 - HB3 LYS 44 OK 11 73 - 16 - HE3 LYS 43 - HB3 LYS 44 OK 11 75 - 14 - HE2 LYS 43 - HB3 LYS 44 OK 11 74 - 14 - HE3 LYS 40 - HB2 LYS 96 OK 10 79 - 13 - 6.4/8066=2 HE2 LYS 39 - HB2 LYS 96 OK 10 93 - 11 - HE2 LYS 40 - HB2 LYS 43 OK 10 49 - 21 - 3849/3.0=2, 6.4/8066=2, ~3849=1 HE3 LYS 39 - HB2 LYS 96 OK 10 91 - 11 - HE3 LYS 40 - HB2 LYS 43 poor 10 45 - 21 - 3849/3.0=2, 6.4/8066=2, ~3849=1 HE3 LYS 73 - HB3 LYS 44 poor 9 75 - 12 - HE2 LYS 39 - HB2 LYS 73 lone 9 100 - 9 - HE2 LYS 39 - HB3 LYS 73 lone 9 100 - 9 - HE3 LYS 39 - HB2 LYS 73 lone 9 99 - 9 - HE3 LYS 39 - HB3 LYS 73 lone 9 99 - 9 - HE2 LYS 73 - HB3 LYS 44 poor 9 72 - 13 - HE2 LYS 39 - HB3 LYS 43 lone 6 78 - 7 - HE3 LYS 39 - HB3 LYS 43 lone 6 76 - 8 - HE3 LYS 39 - HB3 LYS 20 lone 6 82 - 7 - HE3 LYS 39 - HB2 LYS 20 lone 6 82 - 7 - HE2 LYS 39 - HB3 LYS 20 lone 6 84 - 6 - HE2 LYS 39 - HB2 LYS 20 lone 6 84 - 6 - HD3 ARG 118 - HB3 LYS 20 lone 5 80 - 6 - ~7402=1, ~7401=1 HD3 ARG 118 - HB2 LYS 20 lone 5 80 - 6 - ~7402=1, ~7401=1 HE2 LYS 39 - HB2 LYS 43 lone 4 56 - 7 - HE3 LYS 39 - HB2 LYS 43 lone 4 55 - 7 - HE3 LYS 73 - HB3 LYS 16 lone 3 63 - 5 - HE2 LYS 20 - HB3 LYS 16 lone 3 46 - 7 - HE3 LYS 20 - HB3 LYS 16 lone 3 46 - 7 - HE2 LYS 73 - HB3 LYS 16 lone 3 60 - 5 - HE2 LYS 20 - HB3 LYS 44 lone 2 56 - 4 - HE3 LYS 20 - HB3 LYS 44 lone 2 56 - 4 - HE2 LYS 40 - HB3 LYS 44 lone 2 66 - 3 - HE3 LYS 40 - HB3 LYS 44 lone 2 61 - 3 - HE2 LYS 43 - HB3 LYS 16 lone 1 62 - 2 - HE3 LYS 43 - HB3 LYS 16 lone 1 62 - 2 - HD3 ARG 118 - HB2 LYS 73 lone 1 98 - 1 - HD3 ARG 118 - HB3 LYS 73 lone 1 98 - 1 - HE2 LYS 39 - HB3 LYS 16 lone 1 62 - 1 - HE3 LYS 39 - HB3 LYS 16 lone 1 61 - 1 - HB2 ASN 24 - HB2 LYS 73 lone 1 92 - 1 - HB3 ASN 24 - HB2 LYS 73 lone 1 92 - 1 - HB2 ASN 24 - HB3 LYS 73 lone 1 92 - 1 - HB3 ASN 24 - HB3 LYS 73 lone 1 92 - 1 - HB2 ASN 24 - HB2 LYS 20 lone 1 72 - 1 - HB2 ASN 24 - HB3 LYS 20 lone 1 72 - 1 - HB3 ASN 24 - HB3 LYS 20 lone 1 72 - 1 - HB3 ASN 24 - HB2 LYS 20 lone 1 72 - 1 - HB3 PHE 51 - HB2 LYS 73 lone 1 92 - 1 - HB3 PHE 51 - HB3 LYS 73 lone 1 92 - 1 - HD3 ARG 118 - HB2 LYS 96 lone 1 89 - 1 - HD3 ARG 118 - HB3 LYS 43 lone 0 74 - 1 - HB3 ASN 24 - HB3 LYS 43 lone 0 67 - 1 - HB2 ASN 24 - HB3 LYS 43 lone 0 67 - 1 - HB2 ASN 24 - HB2 LYS 96 lone 0 81 - 1 - HB3 ASN 24 - HB2 LYS 96 lone 0 81 - 1 - HB3 PHE 51 - HB2 LYS 96 lone 0 81 - 1 - HD3 ARG 118 - HB3 LYS 16 lone 0 59 - 1 - HB3 PHE 51 - HB2 LYS 20 lone 0 72 - 1 - HB3 PHE 51 - HB3 LYS 20 lone 0 72 - 1 - HD3 ARG 118 - HB3 LYS 44 lone 0 71 - 1 - HD3 ARG 118 - HB2 LYS 43 lone 0 53 - 1 - HB3 PHE 51 - HB3 LYS 43 lone 0 67 - 1 - HB2 ASN 24 - HB3 LYS 44 lone 0 64 - 1 - HB3 ASN 24 - HB3 LYS 44 lone 0 64 - 1 - HB3 PHE 51 - HB3 LYS 44 lone 0 64 - 0 - HB2 ASN 24 - HB2 LYS 43 lone 0 47 - 1 - HB3 ASN 24 - HB2 LYS 43 lone 0 47 - 1 - HB2 ASN 24 - HB3 LYS 16 lone 0 52 - 0 - HB3 ASN 24 - HB3 LYS 16 lone 0 52 - 0 - HB3 PHE 51 - HB3 LYS 16 lone 0 52 - 0 - HB3 PHE 51 - HB2 LYS 43 lone 0 47 - 1 - Peak 5143 from cnoeabs.peaks (7.72, 1.89, 32.15 ppm; 3.65 A): 4 out of 30 assignments used, quality = 1.00: * H LYS 73 + HB3 LYS 73 OK 91 100 - 91 - 4.0=78, 1480/2.9=22...(12) H LYS 73 + HB2 LYS 73 OK 91 100 - 91 - 4.0=78, 1480/2.9=22...(12) H LEU 70 + HB3 LYS 73 OK 51 98 - 52 - ~11081=10, 3.0/8160=10...(13) H LEU 70 + HB2 LYS 73 OK 51 98 - 52 - ~11081=10, 3.0/8160=10...(13) H GLU 47 - HB3 LYS 44 OK 17 59 - 28 - 2073/4.7=7, 2074/3.0=7...(9) H LYS 73 - HB3 LYS 20 OK 16 86 - 19 - 1481/2.9=4, 1479=2...(6) H LYS 73 - HB2 LYS 20 OK 16 86 - 19 - 1481/2.9=4, 1479=2...(6) H LYS 73 - HB3 LYS 44 OK 11 70 - 16 - 2127/3.0=5, 11318/4.7=3...(5) H GLU 47 - HB3 LYS 73 lone 7 92 - 8 - 5163/2.9=1, 5153/2.9=1 H LYS 73 - HB2 LYS 96 lone 7 90 - 8 - 2127/3.0=2, 1478=1 H GLU 47 - HB2 LYS 73 lone 7 92 - 8 - 5163/2.9=1, 5153/2.9=1 H LYS 73 - HB3 LYS 16 lone 6 68 - 9 - 452/4.0=5 H LYS 73 - HB3 LYS 43 lone 6 76 - 8 - 1483/3.8=1, 1483/3.8=1 H GLU 47 - HB3 LYS 43 lone 6 64 - 9 - 3.6/9454=2, 4.6/273=2...(4) H LYS 73 - HB2 LYS 16 lone 5 63 - 9 - 452/4.0=5 H LYS 73 - HB2 LYS 43 lone 4 52 - 7 - 1483/3.8=1, 1483/3.8=1 H LEU 70 - HB3 LYS 20 lone 4 82 - 5 - H LEU 70 - HB2 LYS 20 lone 4 82 - 5 - H GLU 47 - HB2 LYS 96 lone 4 78 - 5 - 2074/3.0=1 H LEU 70 - HB2 LYS 96 lone 3 86 - 4 - H GLU 47 - HB2 LYS 43 lone 3 43 - 7 - 4.6/273=2, 3.6/8074=1...(4) H LEU 70 - HB3 LYS 44 lone 3 66 - 4 - H LEU 70 - HB3 LYS 43 lone 2 71 - 3 - H GLU 47 - HB2 LYS 20 lone 2 74 - 2 - H GLU 47 - HB3 LYS 20 lone 2 74 - 2 - H LEU 70 - HB2 LYS 43 lone 1 49 - 3 - H LEU 70 - HB3 LYS 16 lone 1 64 - 2 - H LEU 70 - HB2 LYS 16 lone 1 59 - 2 - H GLU 47 - HB3 LYS 16 lone 1 57 - 1 - H GLU 47 - HB2 LYS 16 lone 0 52 - 1 - Peak 5144 from cnoeabs.peaks (4.29, 1.89, 32.15 ppm; 3.27 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 73 + HB3 LYS 73 OK 100 100 - 100 - 3.0=100 HA LYS 73 + HB2 LYS 73 OK 100 100 - 100 - 3.0=100 Peak 5145 from cnoeabs.peaks (1.90, 1.89, 32.15 ppm; diagonal): 8 out of 10 assignments used, quality = 1.00: HB3 LYS 73 + HB3 LYS 73 OK 100 100 - 100 HB2 LYS 73 + HB2 LYS 73 OK 100 100 - 100 HB2 LYS 96 + HB2 LYS 96 OK 86 86 - 100 HB2 LYS 20 + HB2 LYS 20 OK 83 83 - 100 HB3 LYS 20 + HB3 LYS 20 OK 83 83 - 100 HB3 LYS 43 + HB3 LYS 43 OK 71 71 - 100 HB3 LYS 44 + HB3 LYS 44 OK 57 57 - 100 HB3 LYS 16 + HB3 LYS 16 OK 48 48 - 100 HB2 LYS 16 - HB2 LYS 16 OK 41 41 - 100 HB2 LYS 43 - HB2 LYS 43 OK 40 40 - 100 Reference assignment not found: HB2 LYS 73 - HB3 LYS 73 Peak 5146 from cnoeabs.peaks (1.89, 1.89, 32.15 ppm; diagonal): 8 out of 10 assignments used, quality = 1.00: * HB3 LYS 73 + HB3 LYS 73 OK 100 100 - 100 HB2 LYS 73 + HB2 LYS 73 OK 100 100 - 100 HB2 LYS 96 + HB2 LYS 96 OK 85 85 - 100 HB2 LYS 20 + HB2 LYS 20 OK 84 84 - 100 HB3 LYS 20 + HB3 LYS 20 OK 84 84 - 100 HB3 LYS 43 + HB3 LYS 43 OK 70 70 - 100 HB3 LYS 44 + HB3 LYS 44 OK 55 55 - 100 HB3 LYS 16 + HB3 LYS 16 OK 50 50 - 100 HB2 LYS 16 - HB2 LYS 16 OK 44 44 - 100 HB2 LYS 43 - HB2 LYS 43 OK 38 38 - 100 Peak 5147 from cnoeabs.peaks (1.60, 1.89, 32.15 ppm; 2.84 A): 2 out of 90 assignments used, quality = 1.00: * HG2 LYS 73 + HB3 LYS 73 OK 99 100 - 99 - 2.9=98, 1480/4.0=9...(23) HG2 LYS 73 + HB2 LYS 73 OK 99 100 - 99 - 2.9=98, 1480/4.0=9...(23) HG2 LYS 44 - HB3 LYS 44 OK 45 47 - 96 - 2.9=90, 1286/4.0=6...(30) HG2 LYS 73 - HB3 LYS 20 OK 19 86 - 22 - ~3037=2, 114/3.9=1...(5) HG2 LYS 73 - HB2 LYS 20 OK 19 86 - 22 - ~3037=2, 114/3.9=1...(5) HG2 LYS 44 - HB2 LYS 96 OK 19 64 - 30 - ~6075=3, 3931/3.0=2...(9) HG3 LYS 19 - HB3 LYS 16 OK 17 68 - 25 - 11217/3.0=5, ~7989=4...(8) HG3 LYS 19 - HB2 LYS 16 OK 15 62 - 25 - 11217/3.0=5, ~7989=4...(8) HG2 LYS 73 - HB3 LYS 43 poor 9 76 - 12 - 5197/4.7=1, 5187/3.8=1 HG2 LYS 73 - HB2 LYS 96 lone 9 90 - 10 - HD2 LYS 19 - HB3 LYS 16 poor 8 67 - 11 - 11217/3.0=5, ~11220=3...(4) HD3 LYS 19 - HB3 LYS 16 poor 8 67 - 11 - 11217/3.0=5, ~11220=3...(4) HD3 LYS 19 - HB2 LYS 16 poor 7 62 - 11 - 11217/3.0=5, ~11220=3...(4) HD2 LYS 19 - HB2 LYS 16 poor 7 62 - 11 - 11217/3.0=5, ~11220=3...(4) HG2 LYS 73 - HB2 LYS 43 poor 7 52 - 13 - 5197/4.7=1, 5187/3.8=1 HG2 LYS 44 - HB3 LYS 43 poor 6 51 - 12 - 1286/4.7=4 HG2 LYS 73 - HB3 LYS 16 lone 5 68 - 7 - 7671/4.0=2, 11217/3.0=2 HG2 LYS 73 - HB3 LYS 44 lone 4 70 - 6 - HG2 LYS 73 - HB2 LYS 16 lone 4 63 - 7 - 7671/4.0=2, 11217/3.0=2 HG2 LYS 44 - HB2 LYS 43 poor 4 34 - 12 - 1286/4.7=4 HG2 LYS 44 - HB2 LYS 73 lone 4 77 - 5 - 1480/4.0=1 HG2 LYS 44 - HB3 LYS 73 lone 4 77 - 5 - 1480/4.0=1 HG LEU 68 - HB3 LYS 73 lone 4 94 - 4 - HG LEU 68 - HB2 LYS 73 lone 4 94 - 4 - HG3 LYS 19 - HB2 LYS 20 lone 3 86 - 4 - 114/3.9=3 HG3 LYS 19 - HB3 LYS 20 lone 3 86 - 4 - 114/3.9=3 HD2 LYS 19 - HB2 LYS 20 lone 2 85 - 3 - 114/3.9=2 HD3 LYS 19 - HB3 LYS 20 lone 2 85 - 3 - 114/3.9=2 HD2 LYS 19 - HB3 LYS 20 lone 2 85 - 3 - 114/3.9=2 HD3 LYS 19 - HB2 LYS 20 lone 2 85 - 3 - 114/3.9=2 HG LEU 68 - HB2 LYS 20 lone 2 76 - 2 - HG LEU 68 - HB3 LYS 20 lone 2 76 - 2 - HG LEU 82 - HB3 LYS 16 lone 2 68 - 2 - HG LEU 82 - HB2 LYS 16 lone 1 62 - 2 - HG2 LYS 44 - HB2 LYS 20 lone 1 60 - 2 - HG2 LYS 44 - HB3 LYS 20 lone 1 60 - 2 - HG LEU 68 - HB3 LYS 43 lone 1 66 - 2 - HG3 LYS 19 - HB3 LYS 73 lone 1 100 - 1 - HG3 LYS 19 - HB2 LYS 73 lone 1 100 - 1 - HG LEU 68 - HB3 LYS 44 lone 1 61 - 2 - HG LEU 68 - HB2 LYS 43 lone 1 45 - 2 - HG LEU 82 - HB2 LYS 73 lone 1 100 - 1 - HG LEU 82 - HB3 LYS 73 lone 1 100 - 1 - HG2 LYS 44 - HB3 LYS 16 lone 1 45 - 2 - HG LEU 68 - HB2 LYS 96 lone 1 81 - 1 - HG2 LYS 44 - HB2 LYS 16 lone 1 41 - 2 - HG LEU 68 - HB3 LYS 16 lone 1 59 - 1 - HD2 LYS 19 - HB3 LYS 73 lone 1 100 - 1 - HD3 LYS 19 - HB3 LYS 73 lone 1 100 - 1 - HD2 LYS 19 - HB2 LYS 73 lone 1 100 - 1 - HD3 LYS 19 - HB2 LYS 73 lone 1 100 - 1 - HG LEU 68 - HB2 LYS 16 lone 1 54 - 1 - HG3 LYS 19 - HB3 LYS 43 lone 1 75 - 1 - HB3 LEU 127 - HB3 LYS 73 lone 1 73 - 1 - HB3 LEU 127 - HB2 LYS 73 lone 1 73 - 1 - HB3 LEU 127 - HB2 LYS 96 lone 1 60 - 1 - HG12 ILE 116 - HB2 LYS 73 lone 0 84 - 1 - HG12 ILE 116 - HB3 LYS 73 lone 0 84 - 1 - HG LEU 82 - HB2 LYS 96 lone 0 90 - 0 - HG12 ILE 116 - HB2 LYS 96 lone 0 70 - 1 - HG12 ILE 116 - HB3 LYS 16 lone 0 50 - 1 - HG12 ILE 116 - HB2 LYS 16 lone 0 46 - 1 - HG LEU 82 - HB3 LYS 44 lone 0 70 - 0 - HG12 ILE 116 - HB3 LYS 44 lone 0 52 - 1 - HG3 LYS 19 - HB2 LYS 43 lone 0 52 - 1 - HG3 LYS 19 - HB2 LYS 96 lone 0 90 - 0 - HG LEU 82 - HB2 LYS 20 lone 0 86 - 0 - HG LEU 82 - HB3 LYS 20 lone 0 86 - 0 - HB3 LEU 127 - HB3 LYS 43 lone 0 48 - 1 - HD3 LYS 19 - HB3 LYS 43 lone 0 75 - 0 - HD2 LYS 19 - HB3 LYS 43 lone 0 75 - 0 - HG3 LYS 19 - HB3 LYS 44 lone 0 70 - 0 - HD2 LYS 19 - HB3 LYS 44 lone 0 69 - 0 - HD3 LYS 19 - HB3 LYS 44 lone 0 69 - 0 - HD2 LYS 19 - HB2 LYS 96 lone 0 89 - 0 - HD3 LYS 19 - HB2 LYS 96 lone 0 89 - 0 - HG12 ILE 116 - HB3 LYS 43 lone 0 57 - 0 - HG12 ILE 116 - HB2 LYS 20 lone 0 66 - 0 - HG12 ILE 116 - HB3 LYS 20 lone 0 66 - 0 - HB3 LEU 127 - HB3 LYS 44 lone 0 44 - 1 - HB3 LEU 127 - HB2 LYS 20 lone 0 57 - 0 - HB3 LEU 127 - HB3 LYS 20 lone 0 57 - 0 - HG LEU 82 - HB3 LYS 43 lone 0 75 - 0 - HB3 LEU 127 - HB2 LYS 43 lone 0 32 - 1 - HD3 LYS 19 - HB2 LYS 43 lone 0 51 - 0 - HD2 LYS 19 - HB2 LYS 43 lone 0 51 - 0 - HG12 ILE 116 - HB2 LYS 43 lone 0 38 - 0 - HG LEU 82 - HB2 LYS 43 lone 0 52 - 0 - HB3 LEU 127 - HB3 LYS 16 lone 0 43 - 0 - HB3 LEU 127 - HB2 LYS 16 lone 0 39 - 0 - Peak 5148 from cnoeabs.peaks (1.48, 1.89, 32.15 ppm; 2.79 A): 4 out of 110 assignments used, quality = 1.00: * HG3 LYS 73 + HB3 LYS 73 OK 97 100 - 97 - 2.9=93, 5128/3.0=9...(23) HG3 LYS 73 + HB2 LYS 73 OK 97 100 - 97 - 2.9=93, 5128/3.0=9...(23) HG3 LYS 20 + HB3 LYS 20 OK 82 86 - 96 - 2.9=89, 3037/3.0=11...(24) HG3 LYS 20 + HB2 LYS 20 OK 82 86 - 96 - 2.9=89, 3037/3.0=11...(24) HG3 LYS 73 - HB3 LYS 20 OK 21 86 - 24 - 3037/3.0=3, 1144/3.9=2...(5) HG3 LYS 73 - HB2 LYS 20 OK 21 86 - 24 - 3037/3.0=3, 1144/3.9=2...(5) HG3 LYS 20 - HB2 LYS 73 OK 18 100 - 18 - 5128/3.0=2, 1481/4.0=1...(4) HG3 LYS 20 - HB3 LYS 73 OK 18 100 - 18 - 5128/3.0=2, 1481/4.0=1...(4) HG3 LYS 20 - HB3 LYS 43 OK 17 75 - 23 - 3073/3.0=4, ~3063=3...(5) HG3 LYS 20 - HB2 LYS 43 OK 12 52 - 23 - 3073/3.0=4, ~3063=3...(5) HB3 LEU 45 - HB3 LYS 73 OK 11 96 - 12 - 5128/3.0=1, 1481/4.0=1 HB3 LEU 45 - HB2 LYS 73 OK 11 95 - 12 - 5128/3.0=1, 1481/4.0=1 HG3 LYS 73 - HB3 LYS 43 poor 9 76 - 12 - 5170/3.8=1, 5170/3.8=1 HB3 LEU 45 - HB3 LYS 44 poor 9 63 - 15 - 1295/4.7=7, 3.0/4013=1...(4) HG3 LYS 73 - HB2 LYS 96 lone 8 90 - 9 - HB2 LEU 74 - HB2 LYS 73 lone 7 87 - 9 - 457/4.3=4, 1481/4.0=2 HB2 LEU 74 - HB3 LYS 73 lone 7 87 - 9 - 457/4.3=4, 1481/4.0=2 HG3 LYS 20 - HB2 LYS 96 lone 7 90 - 8 - HG3 LYS 73 - HB2 LYS 43 poor 6 52 - 13 - 5170/3.8=1, 5170/3.8=1 HB3 LEU 45 - HB3 LYS 20 lone 6 78 - 7 - HB3 LEU 45 - HB2 LYS 20 lone 6 78 - 7 - HB3 LEU 45 - HB3 LYS 43 lone 5 68 - 7 - 4.3/273=1, 4.0/1294=1 HG3 LYS 73 - HB3 LYS 44 lone 5 70 - 6 - 1295/4.7=1 HB3 LEU 45 - HB2 LYS 96 lone 3 83 - 4 - HG3 LYS 73 - HB3 LYS 16 lone 3 68 - 5 - 7672/4.0=1 HB3 LEU 45 - HB2 LYS 43 lone 3 46 - 7 - 4.3/273=1, 4.0/1294=1 HG3 LYS 73 - HB2 LYS 16 lone 3 63 - 5 - 7672/4.0=1 HG3 LYS 20 - HB3 LYS 16 lone 3 68 - 4 - HG3 LYS 20 - HB2 LYS 16 lone 3 62 - 4 - HB3 LEU 38 - HB2 LYS 96 lone 2 57 - 4 - 4.6/613=1 HB2 LEU 74 - HB3 LYS 16 lone 2 53 - 4 - ~11277=1 HG3 ARG 118 - HB3 LYS 20 lone 2 83 - 2 - HG3 ARG 118 - HB2 LYS 20 lone 2 83 - 2 - HB2 LEU 74 - HB2 LYS 16 lone 2 48 - 4 - ~11277=1 HG3 LYS 20 - HB3 LYS 44 lone 2 70 - 2 - HG12 ILE 57 - HB3 LYS 20 lone 2 50 - 3 - 1144/3.9=1 HG12 ILE 57 - HB2 LYS 20 lone 2 50 - 3 - 1144/3.9=1 HB3 LEU 38 - HB3 LYS 20 lone 1 53 - 2 - HB3 LEU 38 - HB2 LYS 20 lone 1 53 - 2 - HB2 LEU 74 - HB3 LYS 20 lone 1 69 - 1 - HB2 LEU 74 - HB2 LYS 20 lone 1 69 - 1 - HB3 LEU 38 - HB3 LYS 73 lone 1 70 - 1 - HB3 LEU 38 - HB2 LYS 73 lone 1 69 - 1 - HB3 LEU 38 - HB3 LYS 16 lone 1 40 - 2 - HB3 LEU 38 - HB2 LYS 16 lone 1 36 - 2 - HG3 ARG 118 - HB3 LYS 73 lone 1 99 - 1 - HG3 ARG 118 - HB2 LYS 73 lone 1 99 - 1 - HB3 LEU 45 - HB3 LYS 16 lone 1 61 - 1 - HB3 LEU 45 - HB2 LYS 16 lone 0 56 - 1 - HG2 LYS 106 - HB2 LYS 96 lone 0 53 - 1 - HD2 LYS 53 - HB3 LYS 73 lone 0 100 - 0 - HD2 LYS 53 - HB2 LYS 73 lone 0 100 - 0 - HB3 LEU 38 - HB3 LYS 44 lone 0 41 - 1 - HG2 LYS 106 - HB3 LYS 20 lone 0 50 - 1 - HG2 LYS 106 - HB2 LYS 20 lone 0 50 - 1 - HG12 ILE 57 - HB2 LYS 73 lone 0 65 - 1 - HG12 ILE 57 - HB3 LYS 73 lone 0 65 - 1 - HB3 LEU 38 - HB3 LYS 43 lone 0 45 - 1 - HD2 LYS 53 - HB3 LYS 20 lone 0 86 - 0 - HD2 LYS 53 - HB2 LYS 20 lone 0 86 - 0 - HG12 ILE 7 - HB2 LYS 73 lone 0 61 - 0 - HG12 ILE 7 - HB3 LYS 73 lone 0 61 - 0 - HG12 ILE 7 - HB3 LYS 20 lone 0 47 - 1 - HG12 ILE 7 - HB2 LYS 20 lone 0 47 - 1 - HG3 ARG 118 - HB3 LYS 16 lone 0 65 - 0 - HG2 LYS 106 - HB2 LYS 73 lone 0 65 - 0 - HG2 LYS 106 - HB3 LYS 73 lone 0 65 - 0 - HG3 ARG 118 - HB3 LYS 43 lone 0 73 - 0 - HB2 LEU 74 - HB2 LYS 96 lone 0 73 - 0 - HG3 ARG 118 - HB2 LYS 16 lone 0 60 - 0 - HG3 ARG 118 - HB2 LYS 96 lone 0 88 - 0 - HG12 ILE 57 - HB3 LYS 16 lone 0 37 - 1 - HB2 LEU 74 - HB3 LYS 44 lone 0 55 - 0 - HG2 ARG 30 - HB3 LYS 73 lone 0 61 - 0 - HG2 ARG 30 - HB2 LYS 73 lone 0 61 - 0 - HG12 ILE 7 - HB2 LYS 96 lone 0 50 - 0 - HD2 LYS 53 - HB2 LYS 96 lone 0 90 - 0 - HG12 ILE 57 - HB2 LYS 16 lone 0 34 - 1 - HG2 ARG 30 - HB2 LYS 96 lone 0 50 - 0 - HB2 LEU 74 - HB3 LYS 43 lone 0 59 - 0 - HB3 LEU 38 - HB2 LYS 43 lone 0 30 - 1 - HG3 ARG 118 - HB3 LYS 44 lone 0 67 - 0 - HD2 LYS 53 - HB3 LYS 44 lone 0 70 - 0 - HD2 LYS 53 - HB3 LYS 43 lone 0 75 - 0 - HG12 ILE 57 - HB3 LYS 43 lone 0 42 - 0 - HG2 LYS 106 - HB3 LYS 43 lone 0 42 - 0 - HG12 ILE 57 - HB3 LYS 44 lone 0 39 - 0 - HG12 ILE 57 - HB2 LYS 96 lone 0 53 - 0 - HD2 LYS 53 - HB3 LYS 16 lone 0 68 - 0 - HG2 LYS 106 - HB3 LYS 44 lone 0 39 - 0 - HG3 ARG 118 - HB2 LYS 43 lone 0 50 - 0 - HG12 ILE 7 - HB3 LYS 43 lone 0 39 - 0 - HG2 ARG 30 - HB3 LYS 44 lone 0 36 - 0 - HD2 LYS 53 - HB2 LYS 16 lone 0 62 - 0 - HG2 LYS 106 - HB3 LYS 16 lone 0 37 - 0 - HG2 ARG 30 - HB2 LYS 20 lone 0 47 - 0 - HG2 ARG 30 - HB3 LYS 20 lone 0 47 - 0 - HG2 LYS 106 - HB2 LYS 16 lone 0 34 - 0 - HB2 LEU 74 - HB2 LYS 43 lone 0 40 - 0 - HD2 LYS 53 - HB2 LYS 43 lone 0 52 - 0 - HG12 ILE 7 - HB3 LYS 16 lone 0 35 - 0 - HG2 ARG 30 - HB3 LYS 43 lone 0 39 - 0 - HG2 LYS 106 - HB2 LYS 43 lone 0 28 - 0 - HG12 ILE 7 - HB3 LYS 44 lone 0 36 - 0 - HG12 ILE 7 - HB2 LYS 16 lone 0 31 - 0 - HG12 ILE 57 - HB2 LYS 43 lone 0 28 - 0 - HG12 ILE 7 - HB2 LYS 43 lone 0 26 - 0 - HG2 ARG 30 - HB3 LYS 16 lone 0 35 - 0 - HG2 ARG 30 - HB2 LYS 16 lone 0 31 - 0 - HG2 ARG 30 - HB2 LYS 43 lone 0 26 - 0 - Peak 5149 from cnoeabs.peaks (1.68, 1.89, 32.15 ppm; 2.60 A): 16 out of 220 assignments used, quality = 1.00: HD3 LYS 96 + HB2 LYS 96 OK 71 90 - 79 - 3.4=43, 6097/1.8=8...(36) HD3 LYS 73 + HB3 LYS 73 OK 70 100 - 70 - 3.8=31, 5170/2.9=6...(35) HD2 LYS 96 + HB2 LYS 96 OK 70 89 - 79 - 3.4=43, 6097/1.8=8...(36) HD3 LYS 73 + HB2 LYS 73 OK 70 100 - 70 - 3.8=31, 5170/2.9=6...(35) * HD2 LYS 73 + HB3 LYS 73 OK 70 100 - 70 - 3.8=31, 5170/2.9=6...(35) HD2 LYS 73 + HB2 LYS 73 OK 70 100 - 70 - 3.8=31, 5170/2.9=6...(35) HD3 LYS 20 + HB3 LYS 20 OK 66 86 - 77 - 3.4=43, 3079/2.9=6...(35) HD3 LYS 20 + HB2 LYS 20 OK 66 86 - 77 - 3.4=43, 3079/2.9=6...(35) HD2 LYS 20 + HB2 LYS 20 OK 66 85 - 77 - 3.4=43, 3079/2.9=6...(35) HD2 LYS 20 + HB3 LYS 20 OK 66 85 - 77 - 3.4=43, 3079/2.9=6...(35) HD2 LYS 16 + HB3 LYS 16 OK 51 68 - 75 - 3.6=37, 2756/3.0=7...(43) HD3 LYS 43 + HB3 LYS 43 OK 50 75 - 66 - 3.8=31, 3847/3.0=6...(25) HD3 LYS 16 + HB3 LYS 16 OK 50 66 - 76 - 3.6=37, 2756/3.0=7...(45) HD2 LYS 43 + HB3 LYS 43 OK 48 71 - 67 - 3.8=31, 3846/3.0=6...(25) HD2 LYS 16 + HB2 LYS 16 OK 47 62 - 75 - 3.6=37, 2756/3.0=7...(43) HD3 LYS 16 + HB2 LYS 16 OK 46 61 - 76 - 3.6=37, 2756/3.0=7...(45) HD3 LYS 43 - HB2 LYS 43 OK 35 52 - 67 - 3.8=31, 3847/3.0=6...(25) HD2 LYS 43 - HB2 LYS 43 OK 33 49 - 67 - 3.8=31, 3846/3.0=6...(24) HD2 LYS 44 - HB3 LYS 44 OK 32 44 - 73 - 3.7=36, 3954/2.9=4...(36) HD3 LYS 44 - HB3 LYS 44 OK 29 39 - 74 - 3.7=36, 3954/2.9=4...(36) HD2 LYS 73 - HB2 LYS 20 OK 24 86 - 28 - 3079/2.9=2, 3069/2.9=2 HD2 LYS 73 - HB3 LYS 20 OK 24 86 - 28 - 3079/2.9=2, 3069/2.9=2 HD3 LYS 73 - HB2 LYS 20 OK 24 86 - 28 - 3079/2.9=2, 3069/2.9=2 HD3 LYS 73 - HB3 LYS 20 OK 24 86 - 28 - 3079/2.9=2, 3069/2.9=2 HD3 LYS 96 - HB3 LYS 44 OK 24 70 - 34 - 6107/2.9=2, 6136/2.9=1...(4) HD2 LYS 96 - HB3 LYS 44 OK 24 68 - 35 - 6107/2.9=2, 6126/2.9=1...(4) HD3 LYS 43 - HB2 LYS 20 OK 24 86 - 28 - 3069/2.9=2, 3079/2.9=2...(4) HD3 LYS 43 - HB3 LYS 20 OK 24 86 - 28 - 3069/2.9=2, 3079/2.9=2...(4) HD2 LYS 44 - HB2 LYS 96 OK 23 60 - 39 - 6098/1.8=2, 3953=2...(14) HD2 LYS 43 - HB2 LYS 20 OK 23 82 - 28 - 3069/2.9=2, 3079/2.9=2...(4) HD2 LYS 43 - HB3 LYS 20 OK 23 82 - 28 - 3069/2.9=2, 3079/2.9=2...(4) HD3 LYS 20 - HB3 LYS 73 OK 20 100 - 21 - 5170/2.9=2, 5177/2.9=1 HD2 LYS 20 - HB3 LYS 73 OK 20 100 - 21 - 5170/2.9=2, 5177/2.9=1 HD3 LYS 20 - HB2 LYS 73 OK 20 100 - 21 - 5170/2.9=2, 5177/2.9=1 HD2 LYS 20 - HB2 LYS 73 OK 20 100 - 21 - 5170/2.9=2, 5177/2.9=1 HD3 LYS 44 - HB2 LYS 96 OK 20 53 - 38 - 3953=2, 1.8/3953=2...(14) HD3 LYS 43 - HB3 LYS 73 OK 19 100 - 20 - 5170/2.9=1, 5177/2.9=1 HD3 LYS 43 - HB2 LYS 73 OK 19 100 - 20 - 5170/2.9=1, 5177/2.9=1 HD2 LYS 43 - HB3 LYS 73 OK 19 98 - 20 - 5170/2.9=1, 5187/2.9=1 HD2 LYS 43 - HB2 LYS 73 OK 19 98 - 20 - 5170/2.9=1, 5187/2.9=1 HG3 ARG 95 - HB2 LYS 96 OK 18 81 - 22 - 6049=3, 1.8/6041=3...(7) HD3 LYS 20 - HB3 LYS 43 OK 17 75 - 23 - 3816/3.0=2, 3847/3.0=1...(5) HD2 LYS 20 - HB3 LYS 43 OK 17 75 - 23 - 3817/3.0=2, 3847/3.0=1...(5) HD2 LYS 40 - HB3 LYS 16 OK 16 67 - 25 - 2756/3.0=2, 2766/3.0=2...(6) HD3 LYS 40 - HB3 LYS 16 OK 16 66 - 25 - 2756/3.0=2, 2766/3.0=2...(6) HD2 LYS 40 - HB2 LYS 16 OK 15 62 - 25 - 2756/3.0=2, 2766/3.0=2...(6) HD3 LYS 40 - HB2 LYS 16 OK 15 61 - 25 - 2756/3.0=2, 2766/3.0=2...(6) HD3 LYS 73 - HB2 LYS 96 OK 13 90 - 14 - 6097/1.8=2 HD2 LYS 73 - HB2 LYS 96 OK 13 90 - 14 - 6097/1.8=2 HD3 LYS 20 - HB2 LYS 96 OK 12 90 - 14 - 6097/1.8=1 HD2 LYS 73 - HB3 LYS 43 OK 12 76 - 16 - 3847/3.0=1 HD3 LYS 73 - HB3 LYS 43 OK 12 75 - 16 - 3847/3.0=1 HD2 LYS 20 - HB2 LYS 96 OK 12 89 - 14 - 6097/1.8=1 HD3 LYS 20 - HB2 LYS 43 OK 12 52 - 23 - 3816/3.0=2, 3847/3.0=1...(5) HD2 LYS 20 - HB2 LYS 43 OK 12 51 - 23 - 3817/3.0=2, 3847/3.0=1...(5) HD3 LYS 43 - HB2 LYS 96 OK 10 90 - 12 - 6097/1.8=1 HD2 LYS 40 - HB2 LYS 20 OK 10 85 - 12 - HD2 LYS 40 - HB3 LYS 20 OK 10 85 - 12 - HD3 LYS 40 - HB2 LYS 20 OK 10 84 - 12 - HD3 LYS 40 - HB3 LYS 20 OK 10 84 - 12 - HD2 LYS 43 - HB2 LYS 96 OK 10 86 - 12 - 6097/1.8=1 HD2 LYS 96 - HB3 LYS 73 lone 9 99 - 9 - HD3 LYS 96 - HB3 LYS 73 lone 9 100 - 9 - HD2 LYS 96 - HB2 LYS 73 lone 9 99 - 9 - HD3 LYS 96 - HB2 LYS 73 lone 9 100 - 9 - HD2 LYS 73 - HB2 LYS 43 poor 9 52 - 17 - 3847/3.0=1 HD3 LYS 73 - HB2 LYS 43 poor 9 52 - 17 - 3847/3.0=1 HD2 LYS 40 - HB2 LYS 96 lone 8 89 - 9 - 6077/3.0=1 HD3 LYS 40 - HB2 LYS 96 lone 8 89 - 10 - 6077/3.0=1 HD3 LYS 96 - HB3 LYS 20 lone 8 86 - 9 - HD3 LYS 96 - HB2 LYS 20 lone 8 86 - 9 - HD2 LYS 96 - HB2 LYS 20 lone 8 84 - 9 - HD2 LYS 96 - HB3 LYS 20 lone 8 84 - 9 - HD2 LYS 40 - HB3 LYS 43 poor 8 75 - 10 - HD3 LYS 40 - HB3 LYS 43 poor 7 74 - 10 - HD3 LYS 96 - HB3 LYS 43 lone 7 75 - 9 - HD2 LYS 96 - HB3 LYS 43 lone 7 74 - 9 - HG3 LYS 39 - HB2 LYS 96 lone 6 67 - 9 - 7476/4.1=2, 3598/4.6=1 HG3 ARG 95 - HB3 LYS 44 lone 6 61 - 10 - 6047/4.7=2, 6049=1, 1.8/6041=1 HD2 LYS 17 - HB3 LYS 16 lone 6 66 - 8 - 2860/4.7=3, 4.8/7998=2 HD2 LYS 40 - HB2 LYS 73 lone 5 100 - 5 - HD2 LYS 40 - HB3 LYS 73 lone 5 100 - 5 - HD3 LYS 40 - HB2 LYS 73 lone 5 99 - 5 - HD3 LYS 40 - HB3 LYS 73 lone 5 99 - 5 - HD2 LYS 40 - HB2 LYS 43 poor 5 51 - 10 - HD3 LYS 43 - HB3 LYS 44 lone 5 70 - 7 - HD3 LYS 40 - HB2 LYS 43 poor 5 51 - 10 - HD2 LYS 17 - HB2 LYS 16 lone 5 61 - 8 - 2860/4.7=3, 4.8/7996=2 HG3 LYS 123 - HB3 LYS 44 poor 5 50 - 10 - ~7120=1 HD2 LYS 43 - HB3 LYS 44 lone 5 66 - 7 - HD3 LYS 96 - HB2 LYS 43 lone 5 52 - 9 - HD3 LYS 73 - HB3 LYS 44 lone 5 70 - 7 - HD2 LYS 73 - HB3 LYS 44 lone 5 70 - 7 - HD2 LYS 96 - HB2 LYS 43 lone 5 51 - 9 - HD2 LYS 44 - HB3 LYS 43 lone 4 48 - 9 - 3950/4.7=2 HD2 LYS 16 - HB2 LYS 73 lone 4 100 - 4 - HD2 LYS 16 - HB3 LYS 20 lone 4 86 - 5 - HD2 LYS 16 - HB2 LYS 20 lone 4 86 - 5 - HD2 LYS 16 - HB3 LYS 73 lone 4 100 - 4 - HG3 ARG 95 - HB3 LYS 73 lone 4 94 - 4 - HG3 ARG 95 - HB2 LYS 73 lone 4 94 - 4 - HG12 ILE 71 - HB3 LYS 73 lone 4 94 - 4 - 4.6/1467=1 HG12 ILE 71 - HB2 LYS 73 lone 4 94 - 4 - 4.6/1467=1 HD3 LYS 16 - HB2 LYS 20 lone 4 84 - 5 - HD3 LYS 16 - HB3 LYS 20 lone 4 84 - 5 - HD3 LYS 16 - HB2 LYS 73 lone 4 99 - 4 - HG3 ARG 95 - HB2 LYS 20 lone 4 76 - 5 - HG3 ARG 95 - HB3 LYS 20 lone 4 76 - 5 - HD3 LYS 16 - HB3 LYS 73 lone 4 99 - 4 - HD2 LYS 17 - HB2 LYS 20 lone 4 84 - 5 - 4.8/7996=2 HD2 LYS 17 - HB3 LYS 20 lone 4 84 - 5 - 4.8/7996=2 HD3 LYS 44 - HB3 LYS 43 lone 4 42 - 9 - 3950/4.7=2 HD3 LYS 20 - HB3 LYS 16 lone 4 68 - 5 - HD2 LYS 20 - HB3 LYS 16 lone 3 67 - 5 - HD2 LYS 73 - HB3 LYS 16 lone 3 68 - 5 - HD3 LYS 73 - HB3 LYS 16 lone 3 68 - 5 - HD3 LYS 20 - HB2 LYS 16 lone 3 62 - 5 - HD2 LYS 20 - HB2 LYS 16 lone 3 62 - 5 - HG LEU 74 - HB3 LYS 73 lone 3 61 - 5 - 5234/4.3=3 HG LEU 74 - HB2 LYS 73 lone 3 61 - 5 - 5234/4.3=3 HD2 LYS 73 - HB2 LYS 16 lone 3 63 - 5 - HD3 LYS 73 - HB2 LYS 16 lone 3 62 - 5 - HD2 LYS 16 - HB2 LYS 96 lone 3 90 - 3 - HD2 LYS 44 - HB2 LYS 43 lone 3 32 - 9 - 3950/4.7=2 HD2 LYS 44 - HB3 LYS 73 lone 3 73 - 4 - HD2 LYS 44 - HB2 LYS 73 lone 3 73 - 4 - HG3 LYS 39 - HB3 LYS 44 lone 3 50 - 5 - HD3 LYS 16 - HB2 LYS 96 lone 3 89 - 3 - HG3 LYS 123 - HB2 LYS 96 lone 3 67 - 4 - HD3 LYS 44 - HB3 LYS 73 lone 2 65 - 4 - HD3 LYS 44 - HB2 LYS 43 lone 2 28 - 9 - 3950/4.7=2 HG3 ARG 95 - HB3 LYS 43 lone 2 66 - 4 - HD3 LYS 44 - HB2 LYS 73 lone 2 65 - 4 - HD3 LYS 20 - HB3 LYS 44 lone 2 70 - 3 - HD2 LYS 20 - HB3 LYS 44 lone 2 69 - 3 - HG12 ILE 71 - HB2 LYS 96 lone 2 81 - 2 - HB ILE 56 - HB3 LYS 20 lone 2 84 - 2 - HB ILE 56 - HB2 LYS 20 lone 2 84 - 2 - HG3 ARG 95 - HB3 LYS 16 lone 2 59 - 3 - HG3 ARG 95 - HB2 LYS 43 lone 2 45 - 3 - HG3 ARG 95 - HB2 LYS 16 lone 1 54 - 3 - HG LEU 74 - HB3 LYS 16 lone 1 35 - 4 - ~11277=1 HG LEU 74 - HB2 LYS 16 lone 1 31 - 4 - ~11277=1 HD2 LYS 44 - HB2 LYS 20 lone 1 57 - 2 - HD2 LYS 44 - HB3 LYS 20 lone 1 57 - 2 - HD2 LYS 40 - HB3 LYS 44 lone 1 69 - 2 - HG3 LYS 39 - HB3 LYS 43 lone 1 54 - 2 - HG3 LYS 123 - HB3 LYS 43 lone 1 54 - 2 - HD3 LYS 43 - HB3 LYS 16 lone 1 68 - 1 - HD2 LYS 17 - HB3 LYS 43 lone 1 74 - 1 - HD2 LYS 16 - HB3 LYS 43 lone 1 75 - 1 - HD3 LYS 40 - HB3 LYS 44 lone 1 68 - 1 - HG3 LYS 39 - HB2 LYS 73 lone 1 80 - 1 - HG3 LYS 39 - HB3 LYS 73 lone 1 81 - 1 - HD2 LYS 16 - HB3 LYS 44 lone 1 70 - 1 - HD3 LYS 44 - HB3 LYS 20 lone 1 50 - 2 - HD3 LYS 44 - HB2 LYS 20 lone 1 50 - 2 - HD2 LYS 43 - HB3 LYS 16 lone 1 64 - 1 - HD3 LYS 16 - HB3 LYS 43 lone 1 74 - 1 - HD3 LYS 43 - HB2 LYS 16 lone 1 62 - 1 - HD3 LYS 96 - HB3 LYS 16 lone 1 68 - 1 - HD2 LYS 43 - HB2 LYS 16 lone 1 59 - 2 - HD2 LYS 96 - HB3 LYS 16 lone 1 66 - 1 - HD2 LYS 17 - HB2 LYS 73 lone 1 99 - 1 - HD2 LYS 17 - HB2 LYS 96 lone 1 89 - 1 - HD3 LYS 16 - HB3 LYS 44 lone 1 68 - 1 - HB ILE 56 - HB2 LYS 96 lone 1 89 - 1 - HD2 LYS 17 - HB3 LYS 73 lone 1 99 - 1 - HD3 LYS 96 - HB2 LYS 16 lone 1 62 - 1 - HG3 LYS 39 - HB2 LYS 20 lone 1 63 - 1 - HG3 LYS 39 - HB3 LYS 20 lone 1 63 - 1 - HD2 LYS 96 - HB2 LYS 16 lone 1 61 - 1 - HB ILE 56 - HB3 LYS 16 lone 1 66 - 1 - HD2 LYS 44 - HB3 LYS 16 lone 1 43 - 2 - HG3 LYS 123 - HB2 LYS 73 lone 1 80 - 1 - HG3 LYS 123 - HB3 LYS 73 lone 1 81 - 1 - HD3 LYS 44 - HB3 LYS 16 lone 1 37 - 2 - HD2 LYS 44 - HB2 LYS 16 lone 1 39 - 2 - HD2 LYS 17 - HB3 LYS 44 lone 1 68 - 1 - HG3 LYS 39 - HB2 LYS 43 lone 1 36 - 2 - HD2 LYS 16 - HB2 LYS 43 lone 1 52 - 1 - HB ILE 56 - HB2 LYS 16 lone 1 61 - 1 - HG3 LYS 123 - HB2 LYS 43 lone 1 36 - 2 - HD3 LYS 44 - HB2 LYS 16 lone 1 34 - 2 - HG12 ILE 71 - HB3 LYS 44 lone 1 61 - 1 - HD3 LYS 16 - HB2 LYS 43 lone 1 51 - 1 - HB ILE 54 - HB2 LYS 20 lone 1 85 - 1 - HB ILE 54 - HB3 LYS 20 lone 1 85 - 1 - HG12 ILE 71 - HB2 LYS 20 lone 1 76 - 1 - HG12 ILE 71 - HB3 LYS 20 lone 1 76 - 1 - HG3 LYS 123 - HB3 LYS 16 lone 0 48 - 1 - HB ILE 56 - HB2 LYS 73 lone 0 99 - 0 - HB ILE 56 - HB3 LYS 73 lone 0 99 - 0 - HG LEU 74 - HB2 LYS 20 lone 0 47 - 1 - HG LEU 74 - HB3 LYS 20 lone 0 47 - 1 - HD2 LYS 17 - HB2 LYS 43 lone 0 51 - 1 - HG3 LYS 123 - HB2 LYS 16 lone 0 44 - 1 - HB ILE 56 - HB3 LYS 43 lone 0 74 - 1 - HB ILE 54 - HB2 LYS 96 lone 0 89 - 0 - HB ILE 54 - HB3 LYS 73 lone 0 100 - 0 - HG12 ILE 71 - HB3 LYS 16 lone 0 59 - 1 - HB ILE 54 - HB2 LYS 73 lone 0 100 - 0 - HG12 ILE 71 - HB2 LYS 16 lone 0 54 - 1 - HB ILE 54 - HB3 LYS 16 lone 0 67 - 0 - HG3 LYS 123 - HB2 LYS 20 lone 0 63 - 1 - HG3 LYS 123 - HB3 LYS 20 lone 0 63 - 1 - HG3 LYS 39 - HB3 LYS 16 lone 0 48 - 1 - HG12 ILE 71 - HB3 LYS 43 lone 0 66 - 0 - HB ILE 54 - HB2 LYS 16 lone 0 62 - 0 - HG3 LYS 39 - HB2 LYS 16 lone 0 44 - 1 - HB ILE 56 - HB3 LYS 44 lone 0 68 - 0 - HB ILE 56 - HB2 LYS 43 lone 0 51 - 1 - HB ILE 54 - HB3 LYS 44 lone 0 69 - 0 - HB ILE 54 - HB3 LYS 43 lone 0 75 - 0 - HG12 ILE 71 - HB2 LYS 43 lone 0 45 - 0 - HB ILE 54 - HB2 LYS 43 lone 0 51 - 0 - HG LEU 74 - HB2 LYS 96 lone 0 50 - 0 - HG LEU 74 - HB3 LYS 44 lone 0 36 - 0 - HG LEU 74 - HB3 LYS 43 lone 0 39 - 0 - HG LEU 74 - HB2 LYS 43 lone 0 26 - 0 - Peak 5150 from cnoeabs.peaks (1.68, 1.89, 32.15 ppm; 2.60 A): 16 out of 210 assignments used, quality = 1.00: HD3 LYS 96 + HB2 LYS 96 OK 71 90 - 79 - 3.4=43, 6097/1.8=8...(36) HD2 LYS 96 + HB2 LYS 96 OK 71 89 - 79 - 3.4=43, 6097/1.8=8...(36) * HD3 LYS 73 + HB3 LYS 73 OK 70 100 - 70 - 3.8=31, 5170/2.9=6...(35) HD3 LYS 73 + HB2 LYS 73 OK 70 100 - 70 - 3.8=31, 5170/2.9=6...(35) HD2 LYS 73 + HB3 LYS 73 OK 70 100 - 70 - 3.8=31, 5170/2.9=6...(35) HD2 LYS 73 + HB2 LYS 73 OK 70 100 - 70 - 3.8=31, 5170/2.9=6...(35) HD3 LYS 20 + HB2 LYS 20 OK 66 85 - 77 - 3.4=43, 3079/2.9=6...(35) HD3 LYS 20 + HB3 LYS 20 OK 66 85 - 77 - 3.4=43, 3079/2.9=6...(35) HD2 LYS 20 + HB2 LYS 20 OK 65 84 - 77 - 3.4=43, 3079/2.9=6...(35) HD2 LYS 20 + HB3 LYS 20 OK 65 84 - 77 - 3.4=43, 3079/2.9=6...(35) HD2 LYS 16 + HB3 LYS 16 OK 51 68 - 75 - 3.6=37, 2756/3.0=7...(43) HD3 LYS 43 + HB3 LYS 43 OK 50 76 - 66 - 3.8=31, 3846/3.0=6...(25) HD3 LYS 16 + HB3 LYS 16 OK 49 65 - 76 - 3.6=37, 2756/3.0=7...(45) HD2 LYS 43 + HB3 LYS 43 OK 48 73 - 67 - 3.8=31, 3846/3.0=6...(25) HD2 LYS 16 + HB2 LYS 16 OK 47 62 - 75 - 3.6=37, 2756/3.0=7...(43) HD3 LYS 16 + HB2 LYS 16 OK 45 60 - 76 - 3.6=37, 2756/3.0=7...(45) HD3 LYS 43 - HB2 LYS 43 OK 35 52 - 67 - 3.8=31, 3846/3.0=6...(25) HD2 LYS 43 - HB2 LYS 43 OK 33 50 - 67 - 3.8=31, 3846/3.0=6...(24) HD2 LYS 44 - HB3 LYS 44 OK 30 41 - 73 - 3.7=36, 3954/2.9=3...(36) HD3 LYS 44 - HB3 LYS 44 OK 26 36 - 74 - 3.7=36, 3954/2.9=3...(36) HD2 LYS 96 - HB3 LYS 44 OK 24 69 - 35 - 6107/2.9=2, 6126/2.9=1...(4) HD3 LYS 96 - HB3 LYS 44 OK 24 70 - 34 - 6107/2.9=2, 6126/2.9=1...(4) HD3 LYS 73 - HB2 LYS 20 OK 24 86 - 28 - 3079/2.9=2, 3069/2.9=2 HD3 LYS 73 - HB3 LYS 20 OK 24 86 - 28 - 3079/2.9=2, 3069/2.9=2 HD2 LYS 73 - HB3 LYS 20 OK 24 86 - 28 - 3079/2.9=2, 3069/2.9=2 HD2 LYS 73 - HB2 LYS 20 OK 24 86 - 28 - 3079/2.9=2, 3069/2.9=2 HD3 LYS 43 - HB3 LYS 20 OK 24 86 - 28 - 3069/2.9=2, 3079/2.9=2...(4) HD3 LYS 43 - HB2 LYS 20 OK 24 86 - 28 - 3069/2.9=2, 3079/2.9=2...(4) HD2 LYS 43 - HB2 LYS 20 OK 23 83 - 28 - 3069/2.9=2, 3079/2.9=2...(4) HD2 LYS 43 - HB3 LYS 20 OK 23 83 - 28 - 3069/2.9=2, 3079/2.9=2...(4) HD2 LYS 44 - HB2 LYS 96 OK 22 57 - 38 - 6098/1.8=2, 1.8/3963=2...(14) HD3 LYS 20 - HB3 LYS 73 OK 20 100 - 21 - 5170/2.9=2, 5177/2.9=1 HD2 LYS 20 - HB3 LYS 73 OK 20 99 - 21 - 5170/2.9=2, 5177/2.9=1 HD3 LYS 20 - HB2 LYS 73 OK 20 100 - 21 - 5170/2.9=2, 5177/2.9=1 HD2 LYS 20 - HB2 LYS 73 OK 20 99 - 21 - 5170/2.9=2, 5177/2.9=1 HD2 LYS 43 - HB3 LYS 73 OK 20 99 - 20 - 5170/2.9=1, 5187/2.9=1 HD2 LYS 43 - HB2 LYS 73 OK 20 99 - 20 - 5170/2.9=1, 5187/2.9=1 HD3 LYS 43 - HB2 LYS 73 OK 19 100 - 20 - 5170/2.9=1, 5187/2.9=1 HD3 LYS 43 - HB3 LYS 73 OK 19 100 - 20 - 5170/2.9=1, 5187/2.9=1 HD3 LYS 44 - HB2 LYS 96 OK 19 50 - 38 - 1.8/3953=2, 3953=2...(14) HG3 ARG 95 - HB2 LYS 96 OK 18 83 - 22 - 6049=4, 1.8/6041=3...(7) HD3 LYS 20 - HB3 LYS 43 OK 17 75 - 23 - 3816/3.0=2, 3847/3.0=1...(5) HD2 LYS 20 - HB3 LYS 43 OK 17 74 - 23 - 3816/3.0=2, 3847/3.0=1...(5) HD2 LYS 40 - HB3 LYS 16 OK 16 68 - 25 - 2756/3.0=2, 2766/3.0=2...(6) HD3 LYS 40 - HB3 LYS 16 OK 16 67 - 25 - 2756/3.0=2, 2766/3.0=2...(6) HD2 LYS 40 - HB2 LYS 16 OK 15 62 - 25 - 2756/3.0=2, 2766/3.0=2...(6) HD3 LYS 40 - HB2 LYS 16 OK 15 62 - 25 - 2756/3.0=2, 2766/3.0=2...(6) HD3 LYS 73 - HB2 LYS 96 OK 13 90 - 14 - 6097/1.8=2 HD2 LYS 73 - HB2 LYS 96 OK 13 90 - 14 - 6097/1.8=2 HD3 LYS 73 - HB3 LYS 43 OK 12 76 - 16 - 3846/3.0=1 HD3 LYS 20 - HB2 LYS 96 OK 12 89 - 14 - 6097/1.8=1 HD2 LYS 73 - HB3 LYS 43 OK 12 75 - 16 - 3847/3.0=1 HD2 LYS 20 - HB2 LYS 96 OK 12 89 - 14 - 6097/1.8=1 HD3 LYS 20 - HB2 LYS 43 OK 12 51 - 23 - 3816/3.0=2, 3847/3.0=1...(5) HD2 LYS 20 - HB2 LYS 43 OK 12 51 - 23 - 3816/3.0=2, 3847/3.0=1...(5) HD3 LYS 43 - HB2 LYS 96 OK 11 90 - 12 - 6097/1.8=1 HD2 LYS 40 - HB2 LYS 20 OK 10 86 - 12 - HD2 LYS 40 - HB3 LYS 20 OK 10 86 - 12 - HD3 LYS 40 - HB2 LYS 20 OK 10 85 - 12 - HD3 LYS 40 - HB3 LYS 20 OK 10 85 - 12 - HD2 LYS 43 - HB2 LYS 96 OK 10 88 - 12 - 6097/1.8=1 HD2 LYS 96 - HB3 LYS 73 lone 9 100 - 9 - HD3 LYS 96 - HB3 LYS 73 lone 9 100 - 9 - HD2 LYS 96 - HB2 LYS 73 lone 9 100 - 9 - HD3 LYS 96 - HB2 LYS 73 lone 9 100 - 9 - HD3 LYS 73 - HB2 LYS 43 poor 9 52 - 17 - 3846/3.0=1 HD2 LYS 73 - HB2 LYS 43 poor 9 52 - 17 - 3847/3.0=1 HD3 LYS 40 - HB2 LYS 96 lone 9 89 - 10 - 6077/3.0=1 HD2 LYS 40 - HB2 LYS 96 lone 8 90 - 9 - 6077/3.0=1 HD3 LYS 96 - HB3 LYS 20 lone 8 86 - 9 - HD3 LYS 96 - HB2 LYS 20 lone 8 86 - 9 - HD2 LYS 96 - HB3 LYS 20 lone 8 85 - 9 - HD2 LYS 96 - HB2 LYS 20 lone 8 85 - 9 - HD2 LYS 40 - HB3 LYS 43 poor 8 75 - 10 - HD3 LYS 40 - HB3 LYS 43 poor 8 75 - 10 - HD3 LYS 96 - HB3 LYS 43 lone 7 75 - 9 - HD2 LYS 96 - HB3 LYS 43 lone 7 75 - 9 - HG3 ARG 95 - HB3 LYS 44 lone 6 63 - 10 - 6047/4.7=2, 6049=1, 1.8/6041=1 HG3 LYS 39 - HB2 LYS 96 lone 6 64 - 9 - 7476/4.1=2, 3598/4.6=1 HD2 LYS 17 - HB3 LYS 16 lone 6 67 - 8 - 2860/4.7=3, 4.8/7998=2 HD2 LYS 40 - HB2 LYS 73 lone 5 100 - 5 - HD3 LYS 40 - HB2 LYS 73 lone 5 100 - 5 - HD2 LYS 40 - HB3 LYS 73 lone 5 100 - 5 - HD3 LYS 40 - HB3 LYS 73 lone 5 100 - 5 - HD2 LYS 40 - HB2 LYS 43 poor 5 52 - 10 - HD3 LYS 40 - HB2 LYS 43 poor 5 51 - 10 - HD2 LYS 17 - HB2 LYS 16 lone 5 62 - 8 - 2860/4.7=3, 4.8/7998=2 HD3 LYS 43 - HB3 LYS 44 lone 5 70 - 7 - HD2 LYS 43 - HB3 LYS 44 lone 5 67 - 7 - HD3 LYS 96 - HB2 LYS 43 lone 5 52 - 9 - HG3 LYS 123 - HB3 LYS 44 poor 5 47 - 10 - ~7120=1 HD2 LYS 96 - HB2 LYS 43 lone 5 51 - 9 - HD2 LYS 73 - HB3 LYS 44 lone 5 70 - 6 - HD3 LYS 73 - HB3 LYS 44 lone 4 70 - 6 - HG3 ARG 95 - HB3 LYS 73 lone 4 96 - 4 - HG3 ARG 95 - HB2 LYS 73 lone 4 95 - 4 - HD2 LYS 16 - HB2 LYS 73 lone 4 100 - 4 - HD2 LYS 16 - HB3 LYS 20 lone 4 86 - 5 - HD2 LYS 16 - HB2 LYS 20 lone 4 86 - 5 - HG3 ARG 95 - HB3 LYS 20 lone 4 78 - 5 - HG3 ARG 95 - HB2 LYS 20 lone 4 78 - 5 - HD2 LYS 16 - HB3 LYS 73 lone 4 100 - 4 - HD3 LYS 16 - HB2 LYS 73 lone 4 99 - 4 - HD3 LYS 16 - HB2 LYS 20 lone 4 83 - 5 - HD3 LYS 16 - HB3 LYS 20 lone 4 83 - 5 - HG12 ILE 71 - HB3 LYS 73 lone 4 92 - 4 - 4.6/1467=1 HG12 ILE 71 - HB2 LYS 73 lone 4 92 - 4 - 4.6/1467=1 HD2 LYS 44 - HB3 LYS 43 lone 4 45 - 9 - 3950/4.7=2 HD3 LYS 16 - HB3 LYS 73 lone 4 99 - 4 - HD2 LYS 17 - HB2 LYS 20 lone 4 85 - 5 - 4.8/7996=2 HD2 LYS 17 - HB3 LYS 20 lone 4 85 - 5 - 4.8/7996=2 HD3 LYS 44 - HB3 LYS 43 lone 4 39 - 9 - 3950/4.7=2 HD3 LYS 20 - HB3 LYS 16 lone 3 67 - 5 - HD2 LYS 20 - HB3 LYS 16 lone 3 66 - 5 - HD3 LYS 73 - HB3 LYS 16 lone 3 68 - 5 - HD2 LYS 73 - HB3 LYS 16 lone 3 68 - 5 - HD3 LYS 20 - HB2 LYS 16 lone 3 62 - 5 - HD2 LYS 20 - HB2 LYS 16 lone 3 61 - 5 - HD3 LYS 73 - HB2 LYS 16 lone 3 63 - 5 - HD2 LYS 73 - HB2 LYS 16 lone 3 62 - 5 - HD2 LYS 16 - HB2 LYS 96 lone 3 90 - 3 - HD3 LYS 16 - HB2 LYS 96 lone 3 88 - 3 - HD2 LYS 44 - HB2 LYS 43 lone 3 30 - 9 - 3950/4.7=2 HD2 LYS 44 - HB3 LYS 73 lone 3 70 - 4 - HG3 ARG 95 - HB3 LYS 43 lone 3 68 - 4 - HD2 LYS 44 - HB2 LYS 73 lone 3 69 - 4 - HG3 LYS 39 - HB3 LYS 44 lone 3 47 - 5 - HG3 LYS 123 - HB2 LYS 96 lone 2 64 - 4 - HD3 LYS 44 - HB3 LYS 73 lone 2 61 - 4 - HD3 LYS 44 - HB2 LYS 73 lone 2 61 - 4 - HD3 LYS 44 - HB2 LYS 43 lone 2 26 - 9 - 3950/4.7=2 HD3 LYS 20 - HB3 LYS 44 lone 2 69 - 3 - HD2 LYS 20 - HB3 LYS 44 lone 2 68 - 3 - HG12 ILE 71 - HB2 LYS 96 lone 2 78 - 2 - HB ILE 56 - HB2 LYS 20 lone 2 83 - 2 - HB ILE 56 - HB3 LYS 20 lone 2 83 - 2 - HG3 ARG 95 - HB3 LYS 16 lone 2 61 - 3 - HG3 ARG 95 - HB2 LYS 43 lone 2 46 - 4 - HG3 ARG 95 - HB2 LYS 16 lone 2 56 - 3 - HD2 LYS 40 - HB3 LYS 44 lone 1 70 - 2 - HD2 LYS 17 - HB3 LYS 43 lone 1 75 - 1 - HD2 LYS 44 - HB2 LYS 20 lone 1 53 - 2 - HD2 LYS 44 - HB3 LYS 20 lone 1 53 - 2 - HD3 LYS 43 - HB3 LYS 16 lone 1 68 - 1 - HD3 LYS 40 - HB3 LYS 44 lone 1 69 - 1 - HD2 LYS 16 - HB3 LYS 43 lone 1 75 - 1 - HD2 LYS 43 - HB3 LYS 16 lone 1 65 - 1 - HD2 LYS 16 - HB3 LYS 44 lone 1 70 - 1 - HG3 LYS 39 - HB3 LYS 43 lone 1 51 - 2 - HG3 LYS 123 - HB3 LYS 43 lone 1 51 - 2 - HG3 LYS 39 - HB2 LYS 73 lone 1 77 - 1 - HG3 LYS 39 - HB3 LYS 73 lone 1 77 - 1 - HD3 LYS 43 - HB2 LYS 16 lone 1 63 - 1 - HD3 LYS 16 - HB3 LYS 43 lone 1 73 - 1 - HD2 LYS 43 - HB2 LYS 16 lone 1 60 - 2 - HD3 LYS 96 - HB3 LYS 16 lone 1 68 - 1 - HD3 LYS 44 - HB2 LYS 20 lone 1 47 - 2 - HD3 LYS 44 - HB3 LYS 20 lone 1 47 - 2 - HD2 LYS 96 - HB3 LYS 16 lone 1 67 - 1 - HD2 LYS 17 - HB2 LYS 96 lone 1 89 - 1 - HD2 LYS 17 - HB2 LYS 73 lone 1 100 - 1 - HD2 LYS 17 - HB3 LYS 73 lone 1 100 - 1 - HB ILE 56 - HB2 LYS 96 lone 1 88 - 1 - HD3 LYS 16 - HB3 LYS 44 lone 1 67 - 1 - HD3 LYS 96 - HB2 LYS 16 lone 1 62 - 1 - HD2 LYS 96 - HB2 LYS 16 lone 1 62 - 1 - HG3 LYS 39 - HB2 LYS 20 lone 1 60 - 1 - HG3 LYS 39 - HB3 LYS 20 lone 1 60 - 1 - HB ILE 56 - HB3 LYS 16 lone 1 65 - 1 - HD2 LYS 44 - HB3 LYS 16 lone 1 40 - 2 - HG3 LYS 123 - HB2 LYS 73 lone 1 77 - 1 - HG3 LYS 123 - HB3 LYS 73 lone 1 77 - 1 - HD2 LYS 17 - HB3 LYS 44 lone 1 69 - 1 - HD2 LYS 44 - HB2 LYS 16 lone 1 36 - 2 - HD3 LYS 44 - HB3 LYS 16 lone 1 35 - 2 - HD2 LYS 16 - HB2 LYS 43 lone 1 52 - 1 - HB ILE 56 - HB2 LYS 16 lone 1 60 - 1 - HG3 LYS 39 - HB2 LYS 43 lone 1 34 - 2 - HG12 ILE 71 - HB3 LYS 44 lone 1 59 - 1 - HG3 LYS 123 - HB2 LYS 43 lone 1 34 - 2 - HB ILE 54 - HB3 LYS 20 lone 1 86 - 1 - HB ILE 54 - HB2 LYS 20 lone 1 86 - 1 - HD3 LYS 16 - HB2 LYS 43 lone 1 50 - 1 - HD3 LYS 44 - HB2 LYS 16 lone 1 31 - 2 - HG12 ILE 71 - HB2 LYS 20 lone 1 74 - 1 - HG12 ILE 71 - HB3 LYS 20 lone 1 74 - 1 - HB ILE 56 - HB2 LYS 73 lone 0 99 - 0 - HB ILE 56 - HB3 LYS 73 lone 0 99 - 0 - HD2 LYS 17 - HB2 LYS 43 lone 0 51 - 1 - HG3 LYS 123 - HB3 LYS 16 lone 0 45 - 1 - HB ILE 54 - HB2 LYS 96 lone 0 90 - 0 - HB ILE 56 - HB3 LYS 43 lone 0 73 - 1 - HB ILE 54 - HB3 LYS 73 lone 0 100 - 0 - HG3 LYS 123 - HB2 LYS 16 lone 0 41 - 1 - HB ILE 54 - HB2 LYS 73 lone 0 100 - 0 - HG12 ILE 71 - HB3 LYS 16 lone 0 57 - 1 - HG12 ILE 71 - HB2 LYS 16 lone 0 52 - 1 - HB ILE 54 - HB3 LYS 16 lone 0 68 - 0 - HG3 LYS 123 - HB3 LYS 20 lone 0 60 - 1 - HG3 LYS 123 - HB2 LYS 20 lone 0 60 - 1 - HB ILE 54 - HB2 LYS 16 lone 0 62 - 0 - HG3 LYS 39 - HB3 LYS 16 lone 0 45 - 1 - HG12 ILE 71 - HB3 LYS 43 lone 0 64 - 0 - HB ILE 56 - HB3 LYS 44 lone 0 67 - 0 - HG3 LYS 39 - HB2 LYS 16 lone 0 41 - 1 - HB ILE 56 - HB2 LYS 43 lone 0 50 - 1 - HB ILE 54 - HB3 LYS 44 lone 0 70 - 0 - HB ILE 54 - HB3 LYS 43 lone 0 75 - 0 - HG12 ILE 71 - HB2 LYS 43 lone 0 43 - 0 - HB ILE 54 - HB2 LYS 43 lone 0 52 - 0 - Peak 5151 from cnoeabs.peaks (2.98, 1.89, 32.15 ppm; 4.22 A): 20 out of 140 assignments used, quality = 1.00: HE2 LYS 73 + HB2 LYS 73 OK 95 100 - 95 - 4.9=64, 5197/2.9=12...(52) * HE2 LYS 73 + HB3 LYS 73 OK 95 100 - 95 - 4.9=64, 5197/2.9=12...(48) HE3 LYS 73 + HB3 LYS 73 OK 94 99 - 95 - 4.9=64, 5197/2.9=11...(45) HE3 LYS 73 + HB2 LYS 73 OK 94 99 - 95 - 4.9=64, 5197/2.9=11...(49) HE2 LYS 43 + HB3 LYS 43 OK 72 75 - 96 - 4.7=74, 3848/3.0=9...(54) HE3 LYS 43 + HB3 LYS 43 OK 66 70 - 95 - 4.7=74, 3848/3.0=9...(52) HE2 LYS 43 + HB2 LYS 43 OK 50 52 - 96 - 4.7=74, 3848/3.0=9...(54) HE2 LYS 43 + HB2 LYS 73 OK 49 100 - 49 - 5197/2.9=4, 5171/2.9=4...(25) HE2 LYS 43 + HB2 LYS 20 OK 49 86 - 58 - 5198/2.9=3, 3884/2.9=3...(24) HE2 LYS 43 + HB3 LYS 20 OK 49 86 - 58 - 5198/2.9=3, 3884/2.9=3...(24) HE2 LYS 43 + HB3 LYS 73 OK 49 100 - 49 - 5197/2.9=4, 5171/2.9=4...(25) HE2 LYS 20 + HB2 LYS 20 OK 48 50 - 96 - 4.8=67, ~3071=6, ~3070=6...(68) HE2 LYS 20 + HB3 LYS 20 OK 48 50 - 96 - 4.8=67, ~3071=6, ~3070=6...(68) HE3 LYS 20 + HB3 LYS 20 OK 48 50 - 96 - 4.8=67, ~3071=6, ~3070=6...(68) HE3 LYS 20 + HB2 LYS 20 OK 48 50 - 96 - 4.8=67, ~3071=6, ~3070=6...(68) HE2 LYS 73 + HB3 LYS 20 OK 48 86 - 56 - 5198/2.9=3, 3884/2.9=2...(24) HE2 LYS 73 + HB2 LYS 20 OK 48 86 - 56 - 5198/2.9=3, 3884/2.9=2...(24) HE3 LYS 43 + HB2 LYS 73 OK 46 97 - 48 - 5171/2.9=4, 5197/2.9=4...(23) HE3 LYS 43 + HB3 LYS 73 OK 46 97 - 48 - 5171/2.9=4, 5197/2.9=4...(23) HE3 LYS 43 + HB2 LYS 43 OK 45 48 - 95 - 4.7=74, 3848/3.0=9...(51) HE3 LYS 73 - HB2 LYS 20 OK 43 83 - 52 - 5198/2.9=3, 3884/2.9=2...(22) HE3 LYS 73 - HB3 LYS 20 OK 43 83 - 52 - 5198/2.9=3, 3884/2.9=2...(22) HE3 LYS 43 - HB3 LYS 20 OK 43 80 - 54 - 5198/2.9=3, 3884/2.9=3...(22) HE3 LYS 43 - HB2 LYS 20 OK 43 80 - 54 - 5198/2.9=3, 3884/2.9=3...(22) HE2 LYS 73 - HB3 LYS 43 OK 30 76 - 40 - 3848/3.0=3, 3885/3.0=2...(12) HE3 LYS 73 - HB3 LYS 43 OK 28 73 - 38 - 3848/3.0=3, ~3848=2...(12) HE3 LYS 20 - HB2 LYS 73 OK 26 65 - 40 - 5172/2.9=3, 5162/2.9=2...(19) HE2 LYS 20 - HB2 LYS 73 OK 26 65 - 40 - 5172/2.9=3, 5162/2.9=2...(19) HE2 LYS 20 - HB3 LYS 73 OK 26 65 - 40 - 5172/2.9=3, 5162/2.9=2...(18) HE3 LYS 20 - HB3 LYS 73 OK 26 65 - 40 - 5172/2.9=3, 5162/2.9=2...(18) HE2 LYS 73 - HB2 LYS 43 OK 21 52 - 40 - 3848/3.0=3, 3885/3.0=2...(12) HE2 LYS 73 - HB2 LYS 96 OK 20 90 - 22 - ~6097=1, ~6098=1...(4) HE2 LYS 40 - HB3 LYS 20 OK 19 63 - 31 - ~3071=2, ~3070=2...(6) HE2 LYS 40 - HB2 LYS 20 OK 19 63 - 31 - ~3071=2, ~3070=2...(6) HE3 LYS 73 - HB2 LYS 43 OK 19 50 - 39 - 3848/3.0=3, ~3848=2...(12) HE3 LYS 73 - HB2 LYS 96 OK 19 88 - 21 - ~6097=1, ~6098=1...(4) HE2 LYS 40 - HB3 LYS 16 OK 18 48 - 39 - ~6530=2, ~2771=2...(22) HE3 LYS 40 - HB2 LYS 20 OK 18 57 - 31 - ~3071=2, ~3070=2...(6) HE3 LYS 40 - HB3 LYS 20 OK 18 57 - 31 - ~3071=2, ~3070=2...(6) HE2 LYS 43 - HB2 LYS 96 OK 17 90 - 19 - ~6097=1, ~6098=1...(4) HE2 LYS 40 - HB2 LYS 16 OK 17 44 - 39 - ~6530=2, ~2771=2...(22) HE3 LYS 20 - HB3 LYS 43 OK 16 42 - 39 - 3849/3.0=2, ~3816=2...(13) HE2 LYS 20 - HB3 LYS 43 OK 16 42 - 39 - 3849/3.0=2, ~3816=2...(13) HE3 LYS 43 - HB2 LYS 96 OK 16 85 - 19 - ~6097=1, ~6098=1...(4) HE3 LYS 40 - HB3 LYS 16 OK 16 43 - 37 - ~2771=2, ~2766=2...(20) HE3 LYS 40 - HB2 LYS 16 OK 14 39 - 38 - ~2771=2, ~2766=2...(20) HE2 LYS 40 - HB3 LYS 43 OK 13 54 - 24 - 6.4/8066=2, 3849/3.0=2...(5) HE3 LYS 39 - HB3 LYS 44 OK 13 70 - 18 - HE2 LYS 39 - HB3 LYS 44 OK 13 69 - 18 - HE2 LYS 43 - HB3 LYS 44 OK 12 70 - 17 - 7.0/1275=1, 6.6/3813=1 HE3 LYS 40 - HB3 LYS 43 OK 12 48 - 25 - 6.4/8066=2, 3849/3.0=2...(5) HE3 LYS 39 - HB2 LYS 96 OK 12 90 - 13 - 7.3/613=1, 3638/4.6=1 HE2 LYS 40 - HB2 LYS 73 OK 12 80 - 14 - 5172/2.9=1, 5162/2.9=1 HE2 LYS 39 - HB2 LYS 96 OK 12 89 - 13 - 7.3/613=1, 3638/4.6=1 HE2 LYS 40 - HB3 LYS 73 OK 11 81 - 14 - 5172/2.9=1, 5162/2.9=1 HE3 LYS 39 - HB2 LYS 73 OK 11 100 - 11 - HE3 LYS 43 - HB3 LYS 44 OK 11 65 - 17 - 7.0/1275=1, 6.6/3813=1 HE3 LYS 39 - HB3 LYS 73 OK 11 100 - 11 - HE2 LYS 39 - HB2 LYS 73 OK 11 100 - 11 - HE2 LYS 39 - HB3 LYS 73 OK 11 100 - 11 - HE3 LYS 40 - HB2 LYS 73 OK 11 73 - 15 - 5172/2.9=1 HE3 LYS 40 - HB3 LYS 73 OK 11 73 - 15 - 5172/2.9=1 HE2 LYS 40 - HB2 LYS 96 OK 11 67 - 16 - 6.4/8066=2, ~6077=1, ~6078=1 HE2 LYS 20 - HB2 LYS 96 OK 11 53 - 20 - ~6097=1, ~6098=1...(4) HE3 LYS 20 - HB2 LYS 96 OK 11 53 - 20 - ~6097=1, ~6098=1...(4) HE3 LYS 20 - HB2 LYS 43 OK 11 28 - 39 - 3849/3.0=2, ~3816=2...(12) HE2 LYS 20 - HB2 LYS 43 OK 11 28 - 39 - 3849/3.0=2, ~3816=2...(12) HE2 LYS 73 - HB3 LYS 44 OK 11 70 - 15 - HE3 LYS 73 - HB3 LYS 44 OK 10 67 - 15 - HE3 LYS 40 - HB2 LYS 96 poor 9 60 - 15 - 6.4/8066=2, ~6077=1, ~6078=1 HE2 LYS 40 - HB2 LYS 43 poor 9 36 - 24 - 6.4/8066=2, 3849/3.0=2...(5) HE3 LYS 40 - HB2 LYS 43 poor 8 32 - 25 - 6.4/8066=2, 3849/3.0=2...(5) HE3 LYS 39 - HB2 LYS 20 lone 7 86 - 8 - HE3 LYS 39 - HB3 LYS 20 lone 7 86 - 8 - HE3 LYS 39 - HB3 LYS 43 lone 7 75 - 9 - HE2 LYS 39 - HB3 LYS 43 lone 7 75 - 9 - HE2 LYS 39 - HB3 LYS 20 lone 7 85 - 8 - HE2 LYS 39 - HB2 LYS 20 lone 7 85 - 8 - HD3 ARG 118 - HB3 LYS 20 lone 5 72 - 7 - ~7402=1, ~7401=1 HD3 ARG 118 - HB2 LYS 20 lone 5 72 - 7 - ~7402=1, ~7401=1 HE3 LYS 39 - HB2 LYS 43 lone 5 52 - 9 - HE2 LYS 39 - HB2 LYS 43 lone 5 51 - 9 - HE2 LYS 73 - HB3 LYS 16 lone 4 68 - 6 - HE3 LYS 73 - HB3 LYS 16 lone 4 65 - 6 - HE2 LYS 73 - HB2 LYS 16 lone 4 63 - 7 - HE3 LYS 73 - HB2 LYS 16 lone 4 60 - 6 - HE2 LYS 20 - HB3 LYS 16 lone 3 37 - 8 - HE3 LYS 20 - HB3 LYS 16 lone 3 37 - 8 - HE2 LYS 20 - HB2 LYS 16 lone 3 34 - 8 - HE3 LYS 20 - HB2 LYS 16 lone 3 34 - 8 - HE3 LYS 20 - HB3 LYS 44 lone 2 39 - 5 - HE2 LYS 20 - HB3 LYS 44 lone 2 39 - 5 - HE2 LYS 43 - HB3 LYS 16 lone 2 68 - 3 - HE2 LYS 43 - HB2 LYS 16 lone 2 62 - 3 - HE3 LYS 43 - HB3 LYS 16 lone 2 62 - 3 - HE2 LYS 40 - HB3 LYS 44 lone 2 50 - 3 - HE3 LYS 43 - HB2 LYS 16 lone 2 57 - 3 - HE3 LYS 40 - HB3 LYS 44 lone 2 44 - 3 - HD3 ARG 118 - HB3 LYS 73 lone 1 90 - 1 - HD3 ARG 118 - HB2 LYS 73 lone 1 89 - 1 - HE3 LYS 39 - HB3 LYS 16 lone 1 68 - 2 - HE2 LYS 39 - HB3 LYS 16 lone 1 67 - 2 - HE3 LYS 39 - HB2 LYS 16 lone 1 62 - 2 - HE2 LYS 39 - HB2 LYS 16 lone 1 62 - 2 - HB3 ASN 24 - HB3 LYS 73 lone 1 77 - 1 - HB2 ASN 24 - HB3 LYS 73 lone 1 77 - 1 - HB3 ASN 24 - HB2 LYS 73 lone 1 77 - 1 - HB2 ASN 24 - HB2 LYS 73 lone 1 77 - 1 - HB2 ASN 24 - HB3 LYS 20 lone 1 60 - 1 - HB2 ASN 24 - HB2 LYS 20 lone 1 60 - 1 - HB3 ASN 24 - HB2 LYS 20 lone 1 60 - 1 - HB3 ASN 24 - HB3 LYS 20 lone 1 60 - 1 - HB3 PHE 51 - HB3 LYS 73 lone 1 77 - 1 - HB3 PHE 51 - HB2 LYS 73 lone 1 77 - 1 - HD3 ARG 118 - HB2 LYS 96 lone 1 76 - 1 - HD3 ARG 118 - HB3 LYS 16 lone 1 55 - 1 - HD3 ARG 118 - HB3 LYS 43 lone 0 62 - 1 - HD3 ARG 118 - HB2 LYS 16 lone 0 50 - 1 - HB2 ASN 24 - HB3 LYS 43 lone 0 51 - 1 - HB3 ASN 24 - HB3 LYS 43 lone 0 51 - 1 - HB3 ASN 24 - HB2 LYS 96 lone 0 64 - 1 - HB2 ASN 24 - HB2 LYS 96 lone 0 64 - 1 - HB3 PHE 51 - HB2 LYS 96 lone 0 64 - 1 - HB3 PHE 51 - HB2 LYS 20 lone 0 60 - 1 - HB3 PHE 51 - HB3 LYS 20 lone 0 60 - 1 - HD3 ARG 118 - HB3 LYS 44 lone 0 57 - 1 - HD3 ARG 118 - HB2 LYS 43 lone 0 41 - 1 - HB3 PHE 51 - HB3 LYS 43 lone 0 51 - 1 - HB3 ASN 24 - HB3 LYS 44 lone 0 47 - 1 - HB2 ASN 24 - HB3 LYS 44 lone 0 47 - 1 - HB3 PHE 51 - HB3 LYS 44 lone 0 47 - 1 - HB2 ASN 24 - HB3 LYS 16 lone 0 45 - 1 - HB3 ASN 24 - HB3 LYS 16 lone 0 45 - 1 - HB2 ASN 24 - HB2 LYS 43 lone 0 34 - 1 - HB3 ASN 24 - HB2 LYS 43 lone 0 34 - 1 - HB3 PHE 51 - HB3 LYS 16 lone 0 45 - 1 - HB3 ASN 24 - HB2 LYS 16 lone 0 41 - 1 - HB2 ASN 24 - HB2 LYS 16 lone 0 41 - 1 - HB3 PHE 51 - HB2 LYS 16 lone 0 41 - 1 - HB3 PHE 51 - HB2 LYS 43 lone 0 34 - 1 - Peak 5152 from cnoeabs.peaks (2.98, 1.89, 32.15 ppm; 3.87 A): 12 out of 140 assignments used, quality = 1.00: HE3 LYS 73 + HB2 LYS 73 OK 90 100 - 90 - 4.9=50, 5197/2.9=10...(39) * HE3 LYS 73 + HB3 LYS 73 OK 90 100 - 90 - 4.9=50, 5197/2.9=10...(40) HE2 LYS 73 + HB2 LYS 73 OK 89 99 - 91 - 4.9=50, 5197/2.9=10...(43) HE2 LYS 73 + HB3 LYS 73 OK 89 99 - 90 - 4.9=50, 5197/2.9=10...(43) HE2 LYS 43 + HB3 LYS 43 OK 67 75 - 90 - 4.7=57, 3848/3.0=8...(48) HE3 LYS 43 + HB3 LYS 43 OK 67 75 - 89 - 4.7=57, 3848/3.0=8...(46) HE3 LYS 20 + HB3 LYS 20 OK 60 66 - 91 - 4.8=51, 3070/2.9=6...(52) HE3 LYS 20 + HB2 LYS 20 OK 60 66 - 91 - 4.8=51, 3070/2.9=6...(52) HE2 LYS 20 + HB2 LYS 20 OK 60 66 - 91 - 4.8=51, 3070/2.9=6...(52) HE2 LYS 20 + HB3 LYS 20 OK 60 66 - 91 - 4.8=51, 3070/2.9=6...(52) HE3 LYS 43 + HB2 LYS 43 OK 46 52 - 89 - 4.7=57, 3848/3.0=8...(47) HE2 LYS 43 + HB2 LYS 43 OK 46 51 - 90 - 4.7=57, 3848/3.0=8...(50) HE2 LYS 43 - HB2 LYS 20 OK 43 85 - 51 - 5198/2.9=3, 3884/2.9=3...(23) HE2 LYS 43 - HB3 LYS 20 OK 43 85 - 51 - 5198/2.9=3, 3884/2.9=3...(23) HE2 LYS 43 - HB2 LYS 73 OK 43 100 - 43 - 5197/2.9=4, 5171/2.9=4...(14) HE2 LYS 43 - HB3 LYS 73 OK 43 100 - 43 - 5197/2.9=4, 5171/2.9=4...(14) HE3 LYS 43 - HB2 LYS 73 OK 42 100 - 42 - 5171/2.9=3, 5197/2.9=3...(14) HE3 LYS 43 - HB3 LYS 73 OK 41 100 - 42 - 5171/2.9=3, 5197/2.9=3...(14) HE2 LYS 73 - HB2 LYS 20 OK 41 83 - 49 - 5198/2.9=3, 3884/2.9=2...(20) HE2 LYS 73 - HB3 LYS 20 OK 41 83 - 49 - 5198/2.9=3, 3884/2.9=2...(20) HE3 LYS 43 - HB2 LYS 20 OK 40 86 - 47 - 5198/2.9=2, 3884/2.9=2...(19) HE3 LYS 43 - HB3 LYS 20 OK 40 86 - 47 - 5198/2.9=2, 3884/2.9=2...(19) HE3 LYS 73 - HB2 LYS 20 OK 39 86 - 46 - 5198/2.9=2, 3884/2.9=2...(19) HE3 LYS 73 - HB3 LYS 20 OK 39 86 - 46 - 5198/2.9=2, 3884/2.9=2...(19) HE2 LYS 20 - HB2 LYS 73 OK 29 84 - 35 - 5172/2.9=2, 5162/2.9=2...(15) HE3 LYS 20 - HB2 LYS 73 OK 29 84 - 35 - 5172/2.9=2, 5162/2.9=2...(15) HE3 LYS 20 - HB3 LYS 73 OK 29 84 - 35 - 5172/2.9=2, 5162/2.9=2...(15) HE2 LYS 20 - HB3 LYS 73 OK 29 84 - 35 - 5172/2.9=2, 5162/2.9=2...(15) HE2 LYS 73 - HB3 LYS 43 OK 25 73 - 35 - 3848/3.0=3, 3885/3.0=2...(8) HE3 LYS 73 - HB3 LYS 43 OK 25 76 - 33 - 3848/3.0=3, ~3848=2...(7) HE2 LYS 40 - HB3 LYS 20 OK 21 76 - 27 - 3070/2.9=1, 3080/2.9=1...(6) HE2 LYS 40 - HB2 LYS 20 OK 21 76 - 27 - 3070/2.9=1, 3080/2.9=1...(6) HE2 LYS 40 - HB3 LYS 16 OK 20 59 - 34 - 3723/3.0=2, ~6530=2...(19) HE3 LYS 40 - HB3 LYS 20 OK 20 72 - 28 - 3071/2.9=1, 3081/2.9=1...(6) HE3 LYS 40 - HB2 LYS 20 OK 20 72 - 28 - 3071/2.9=1, 3081/2.9=1...(6) HE2 LYS 20 - HB3 LYS 43 OK 19 57 - 34 - 3849/3.0=2, ~3849=1...(8) HE3 LYS 20 - HB3 LYS 43 OK 19 57 - 34 - 3849/3.0=2, ~3849=1...(8) HE2 LYS 40 - HB2 LYS 16 OK 19 54 - 35 - 3723/3.0=2, ~6530=2...(18) HE3 LYS 40 - HB3 LYS 16 OK 18 55 - 33 - 3723/3.0=2, ~2771=1...(17) HE2 LYS 73 - HB2 LYS 43 OK 17 50 - 35 - 3848/3.0=3, 3885/3.0=2...(8) HE3 LYS 73 - HB2 LYS 43 OK 17 52 - 33 - 3848/3.0=3, ~3848=2...(7) HE3 LYS 73 - HB2 LYS 96 OK 16 90 - 18 - ~6097=1, ~6098=1...(4) HE2 LYS 73 - HB2 LYS 96 OK 16 88 - 19 - ~6097=1, ~6098=1...(4) HE3 LYS 40 - HB2 LYS 16 OK 16 50 - 33 - 3723/3.0=2, ~2771=1...(16) HE2 LYS 43 - HB2 LYS 96 OK 15 89 - 16 - ~6097=1 HE3 LYS 43 - HB2 LYS 96 OK 14 90 - 16 - ~6097=1 HE2 LYS 40 - HB3 LYS 43 OK 14 66 - 21 - 3849/3.0=2, 6.4/8066=2, ~3849=1 HE3 LYS 40 - HB3 LYS 43 OK 13 62 - 21 - 3849/3.0=2, 6.4/8066=2, ~3849=1 HE3 LYS 20 - HB2 LYS 43 OK 13 38 - 34 - 3849/3.0=2, ~3849=1...(8) HE2 LYS 20 - HB2 LYS 43 OK 13 38 - 34 - 3849/3.0=2, ~3849=1...(8) HE3 LYS 20 - HB2 LYS 96 OK 12 70 - 17 - ~6097=1, ~6098=1 HE2 LYS 20 - HB2 LYS 96 OK 12 70 - 17 - ~6097=1, ~6098=1 HE2 LYS 40 - HB2 LYS 73 OK 12 94 - 12 - HE3 LYS 40 - HB2 LYS 73 OK 12 89 - 13 - HE2 LYS 40 - HB3 LYS 73 OK 12 94 - 12 - HE3 LYS 40 - HB3 LYS 73 OK 12 90 - 13 - HE2 LYS 40 - HB2 LYS 96 OK 11 81 - 14 - 6.4/8066=2 HE2 LYS 39 - HB3 LYS 44 OK 11 70 - 15 - HE3 LYS 39 - HB3 LYS 44 OK 11 68 - 15 - HE3 LYS 43 - HB3 LYS 44 OK 10 70 - 14 - HE3 LYS 40 - HB2 LYS 96 OK 10 76 - 13 - 6.4/8066=2 HE2 LYS 43 - HB3 LYS 44 poor 10 69 - 14 - HE2 LYS 39 - HB2 LYS 96 poor 10 90 - 11 - HE3 LYS 39 - HB2 LYS 96 poor 10 89 - 11 - HE2 LYS 39 - HB2 LYS 73 lone 9 100 - 9 - HE2 LYS 39 - HB3 LYS 73 lone 9 100 - 9 - HE3 LYS 39 - HB2 LYS 73 lone 9 99 - 9 - HE3 LYS 39 - HB3 LYS 73 lone 9 99 - 9 - HE2 LYS 40 - HB2 LYS 43 poor 9 45 - 21 - 3849/3.0=2, 6.4/8066=2, ~3849=1 HE3 LYS 73 - HB3 LYS 44 poor 9 70 - 12 - HE3 LYS 40 - HB2 LYS 43 poor 9 41 - 21 - 3849/3.0=2, 6.4/8066=2, ~3849=1 HE2 LYS 73 - HB3 LYS 44 poor 9 67 - 13 - HE3 LYS 39 - HB2 LYS 20 lone 6 84 - 7 - HE3 LYS 39 - HB3 LYS 20 lone 6 84 - 7 - HE2 LYS 39 - HB2 LYS 20 lone 6 86 - 6 - HE2 LYS 39 - HB3 LYS 20 lone 6 86 - 6 - HE2 LYS 39 - HB3 LYS 43 lone 6 75 - 7 - HE3 LYS 39 - HB3 LYS 43 lone 6 74 - 7 - HD3 ARG 118 - HB3 LYS 20 lone 5 82 - 6 - ~7402=1, ~7401=1 HD3 ARG 118 - HB2 LYS 20 lone 5 82 - 6 - ~7402=1, ~7401=1 HE2 LYS 39 - HB2 LYS 43 lone 4 52 - 7 - HE3 LYS 39 - HB2 LYS 43 lone 4 51 - 7 - HE2 LYS 20 - HB3 LYS 16 lone 4 50 - 7 - HE3 LYS 20 - HB3 LYS 16 lone 4 50 - 7 - HE3 LYS 73 - HB3 LYS 16 lone 4 68 - 5 - HE2 LYS 73 - HB3 LYS 16 lone 4 65 - 5 - HE3 LYS 73 - HB2 LYS 16 lone 3 63 - 5 - HE3 LYS 20 - HB2 LYS 16 lone 3 46 - 7 - HE2 LYS 20 - HB2 LYS 16 lone 3 46 - 7 - HE2 LYS 73 - HB2 LYS 16 lone 3 60 - 6 - HE3 LYS 20 - HB3 LYS 44 lone 2 52 - 4 - HE2 LYS 20 - HB3 LYS 44 lone 2 52 - 4 - HE2 LYS 40 - HB3 LYS 44 lone 2 61 - 3 - HE3 LYS 40 - HB3 LYS 44 lone 2 57 - 3 - HE2 LYS 43 - HB3 LYS 16 lone 2 67 - 2 - HE3 LYS 43 - HB3 LYS 16 lone 2 68 - 2 - HE2 LYS 43 - HB2 LYS 16 lone 1 62 - 2 - HE3 LYS 43 - HB2 LYS 16 lone 1 62 - 2 - HD3 ARG 118 - HB2 LYS 73 lone 1 98 - 1 - HD3 ARG 118 - HB3 LYS 73 lone 1 98 - 1 - HE2 LYS 39 - HB3 LYS 16 lone 1 68 - 1 - HE3 LYS 39 - HB3 LYS 16 lone 1 66 - 1 - HE2 LYS 39 - HB2 LYS 16 lone 1 62 - 1 - HE3 LYS 39 - HB2 LYS 16 lone 1 61 - 1 - HB2 ASN 24 - HB3 LYS 73 lone 1 92 - 1 - HB3 ASN 24 - HB3 LYS 73 lone 1 92 - 1 - HB2 ASN 24 - HB2 LYS 73 lone 1 92 - 1 - HB3 ASN 24 - HB2 LYS 73 lone 1 92 - 1 - HB3 ASN 24 - HB3 LYS 20 lone 1 74 - 1 - HB3 ASN 24 - HB2 LYS 20 lone 1 74 - 1 - HB2 ASN 24 - HB3 LYS 20 lone 1 74 - 1 - HB2 ASN 24 - HB2 LYS 20 lone 1 74 - 1 - HB3 PHE 51 - HB3 LYS 73 lone 1 92 - 1 - HB3 PHE 51 - HB2 LYS 73 lone 1 92 - 1 - HD3 ARG 118 - HB2 LYS 96 lone 0 86 - 1 - HD3 ARG 118 - HB3 LYS 16 lone 0 64 - 1 - HD3 ARG 118 - HB3 LYS 43 lone 0 71 - 1 - HD3 ARG 118 - HB2 LYS 16 lone 0 59 - 1 - HB3 ASN 24 - HB3 LYS 43 lone 0 64 - 1 - HB2 ASN 24 - HB3 LYS 43 lone 0 64 - 1 - HB3 PHE 51 - HB2 LYS 20 lone 0 74 - 1 - HB3 PHE 51 - HB3 LYS 20 lone 0 74 - 1 - HB2 ASN 24 - HB2 LYS 96 lone 0 78 - 1 - HB3 ASN 24 - HB2 LYS 96 lone 0 78 - 1 - HB3 PHE 51 - HB2 LYS 96 lone 0 78 - 0 - HD3 ARG 118 - HB3 LYS 44 lone 0 66 - 1 - HB3 PHE 51 - HB3 LYS 43 lone 0 64 - 1 - HD3 ARG 118 - HB2 LYS 43 lone 0 49 - 1 - HB3 ASN 24 - HB3 LYS 44 lone 0 59 - 1 - HB2 ASN 24 - HB3 LYS 44 lone 0 59 - 1 - HB3 PHE 51 - HB3 LYS 44 lone 0 59 - 0 - HB2 ASN 24 - HB2 LYS 43 lone 0 43 - 1 - HB3 ASN 24 - HB2 LYS 43 lone 0 43 - 1 - HB3 ASN 24 - HB3 LYS 16 lone 0 57 - 0 - HB2 ASN 24 - HB3 LYS 16 lone 0 57 - 0 - HB3 PHE 51 - HB3 LYS 16 lone 0 57 - 0 - HB2 ASN 24 - HB2 LYS 16 lone 0 52 - 0 - HB3 ASN 24 - HB2 LYS 16 lone 0 52 - 0 - HB3 PHE 51 - HB2 LYS 16 lone 0 52 - 0 - HB3 PHE 51 - HB2 LYS 43 lone 0 43 - 1 - Peak 5153 from cnoeabs.peaks (7.72, 1.60, 24.91 ppm; 4.13 A): 2 out of 6 assignments used, quality = 0.95: * H LYS 73 + HG2 LYS 73 OK 87 100 - 87 - 4.9=61, 1481/1.8=20...(15) H LEU 70 + HG2 LYS 73 OK 58 98 - 60 - ~11081=18, 5163/1.8=13...(15) H GLU 47 - HG2 LYS 44 poor 10 48 - 21 - 2074/4.2=7, 9462/2.9=4...(6) H LYS 73 - HG2 LYS 44 poor 10 57 - 17 - 2127/4.2=5, 1480=5...(4) H GLU 47 - HG2 LYS 73 lone 7 92 - 8 - 5163/1.8=2, 9462/2.9=1 H LEU 70 - HG2 LYS 44 lone 2 54 - 4 - 4.6/425=1 Peak 5154 from cnoeabs.peaks (4.29, 1.60, 24.91 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 73 + HG2 LYS 73 OK 100 100 - 100 - 3.8=100 Peak 5155 from cnoeabs.peaks (1.90, 1.60, 24.91 ppm; 3.04 A): 3 out of 4 assignments used, quality = 1.00: * HB2 LYS 73 + HG2 LYS 73 OK 100 100 - 100 - 2.9=100 HB3 LYS 73 + HG2 LYS 73 OK 100 100 - 100 - 2.9=100 HB3 LYS 44 + HG2 LYS 44 OK 46 46 - 100 - 2.9=100 HB2 LYS 44 - HG2 LYS 44 OK 35 35 - 100 - 2.9=100 Peak 5156 from cnoeabs.peaks (1.89, 1.60, 24.91 ppm; 3.04 A): 2 out of 4 assignments used, quality = 1.00: * HB3 LYS 73 + HG2 LYS 73 OK 100 100 - 100 - 2.9=100 HB2 LYS 73 + HG2 LYS 73 OK 100 100 - 100 - 2.9=100 HB3 LYS 44 - HG2 LYS 44 OK 44 44 - 100 - 2.9=100 HB2 LYS 44 - HG2 LYS 44 OK 33 33 - 100 - 2.9=100 Peak 5157 from cnoeabs.peaks (1.60, 1.60, 24.91 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 73 + HG2 LYS 73 OK 100 100 - 100 HG2 LYS 44 - HG2 LYS 44 OK 37 37 - 100 Peak 5158 from cnoeabs.peaks (1.48, 1.60, 24.91 ppm; 2.46 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 73 + HG2 LYS 73 OK 100 100 - 100 - 1.8=100 Peak 5159 from cnoeabs.peaks (1.68, 1.60, 24.91 ppm; 2.41 A): 2 out of 44 assignments used, quality = 0.96: HD3 LYS 73 + HG2 LYS 73 OK 79 100 - 79 - 3.0=54, 5170/1.8=8...(19) * HD2 LYS 73 + HG2 LYS 73 OK 79 100 - 79 - 3.0=54, 5170/1.8=8...(19) HD2 LYS 44 - HG2 LYS 44 OK 26 35 - 75 - 2.9=55, 1.8/3954=6...(17) HD3 LYS 44 - HG2 LYS 44 OK 23 31 - 76 - 2.9=55, 1.8/3954=6...(18) HD3 LYS 20 - HG2 LYS 73 OK 21 100 - 21 - 5177=3, 5170/1.8=2, 1.8/5177=2 HD2 LYS 20 - HG2 LYS 73 OK 21 100 - 21 - 5177=3, 5170/1.8=2, 1.8/5177=2 HD3 LYS 43 - HG2 LYS 73 OK 21 100 - 21 - 5177=3, 5170/1.8=2...(5) HD2 LYS 43 - HG2 LYS 73 OK 20 98 - 21 - 5187=3, 5170/1.8=2...(5) HD3 LYS 96 - HG2 LYS 44 OK 15 57 - 27 - 5187=3, 6107/1.8=2...(6) HD2 LYS 96 - HG2 LYS 44 OK 15 56 - 27 - 5187=3, 6107/1.8=2...(6) HD3 LYS 96 - HG2 LYS 73 lone 9 100 - 9 - 5187=1 HD2 LYS 96 - HG2 LYS 73 lone 9 99 - 9 - 5187=1 HD2 LYS 40 - HG2 LYS 73 lone 5 100 - 5 - HD3 LYS 40 - HG2 LYS 73 lone 5 99 - 5 - HD2 LYS 16 - HG2 LYS 73 lone 4 100 - 4 - HD3 LYS 16 - HG2 LYS 73 lone 4 99 - 4 - HD3 LYS 73 - HG2 LYS 44 lone 3 57 - 6 - HD2 LYS 73 - HG2 LYS 44 lone 3 57 - 6 - HD3 LYS 43 - HG2 LYS 44 lone 3 57 - 6 - HD2 LYS 43 - HG2 LYS 44 lone 3 54 - 6 - HG12 ILE 71 - HG2 LYS 73 lone 2 94 - 3 - HD2 LYS 44 - HG2 LYS 73 lone 2 73 - 3 - HG LEU 74 - HG2 LYS 73 lone 2 61 - 3 - 4.9/7671=2 HD3 LYS 44 - HG2 LYS 73 lone 2 65 - 3 - HG3 LYS 123 - HG2 LYS 44 lone 2 39 - 5 - HG3 ARG 95 - HG2 LYS 73 lone 2 94 - 2 - HG3 LYS 39 - HG2 LYS 44 lone 2 39 - 4 - HD3 LYS 20 - HG2 LYS 44 lone 1 57 - 2 - HD2 LYS 20 - HG2 LYS 44 lone 1 56 - 2 - HG3 ARG 95 - HG2 LYS 44 lone 1 49 - 2 - HG3 LYS 39 - HG2 LYS 73 lone 1 81 - 1 - HD2 LYS 16 - HG2 LYS 44 lone 1 57 - 1 - HD3 LYS 16 - HG2 LYS 44 lone 1 56 - 1 - HD2 LYS 17 - HG2 LYS 73 lone 0 99 - 0 - HG3 LYS 123 - HG2 LYS 73 lone 0 81 - 1 - HD2 LYS 40 - HG2 LYS 44 lone 0 56 - 1 - HD2 LYS 17 - HG2 LYS 44 lone 0 56 - 1 - HD3 LYS 40 - HG2 LYS 44 lone 0 56 - 1 - HB ILE 54 - HG2 LYS 73 lone 0 100 - 0 - HG12 ILE 71 - HG2 LYS 44 lone 0 49 - 1 - HB ILE 56 - HG2 LYS 73 lone 0 99 - 0 - HB ILE 54 - HG2 LYS 44 lone 0 56 - 0 - HB ILE 56 - HG2 LYS 44 lone 0 56 - 0 - HG LEU 74 - HG2 LYS 44 lone 0 28 - 0 - Peak 5160 from cnoeabs.peaks (1.68, 1.60, 24.91 ppm; 2.41 A): 2 out of 42 assignments used, quality = 0.96: * HD3 LYS 73 + HG2 LYS 73 OK 79 100 - 79 - 3.0=54, 5170/1.8=8...(19) HD2 LYS 73 + HG2 LYS 73 OK 79 100 - 79 - 3.0=54, 5170/1.8=8...(19) HD2 LYS 44 - HG2 LYS 44 OK 25 33 - 75 - 2.9=55, 1.8/3954=6...(17) HD3 LYS 44 - HG2 LYS 44 OK 21 28 - 76 - 2.9=55, 1.8/3954=6...(18) HD3 LYS 20 - HG2 LYS 73 OK 21 100 - 21 - 5177=3, 5170/1.8=2, 1.8/5177=2 HD2 LYS 20 - HG2 LYS 73 OK 21 99 - 21 - 5177=3, 5170/1.8=2, 1.8/5177=2 HD3 LYS 43 - HG2 LYS 73 OK 21 100 - 21 - 5187=3, 5170/1.8=2...(5) HD2 LYS 43 - HG2 LYS 73 OK 21 99 - 21 - 5187=3, 5170/1.8=2...(5) HD3 LYS 96 - HG2 LYS 44 OK 15 57 - 27 - 5187=3, 6107/1.8=2...(6) HD2 LYS 96 - HG2 LYS 44 OK 15 56 - 27 - 5187=3, 6107/1.8=2...(6) HD2 LYS 96 - HG2 LYS 73 lone 9 100 - 9 - 5187=1 HD3 LYS 96 - HG2 LYS 73 lone 9 100 - 9 - 5187=1 HD3 LYS 40 - HG2 LYS 73 lone 5 100 - 5 - HD2 LYS 40 - HG2 LYS 73 lone 5 100 - 5 - HD2 LYS 16 - HG2 LYS 73 lone 4 100 - 4 - HD3 LYS 16 - HG2 LYS 73 lone 4 99 - 4 - HD3 LYS 73 - HG2 LYS 44 lone 3 57 - 6 - HD2 LYS 73 - HG2 LYS 44 lone 3 57 - 6 - HD3 LYS 43 - HG2 LYS 44 lone 3 57 - 6 - HD2 LYS 43 - HG2 LYS 44 lone 3 55 - 6 - HG12 ILE 71 - HG2 LYS 73 lone 2 92 - 3 - HD2 LYS 44 - HG2 LYS 73 lone 2 70 - 3 - HG3 ARG 95 - HG2 LYS 73 lone 2 96 - 2 - HG3 LYS 123 - HG2 LYS 44 lone 2 37 - 5 - HD3 LYS 44 - HG2 LYS 73 lone 2 61 - 3 - HG3 LYS 39 - HG2 LYS 44 lone 2 37 - 4 - HD3 LYS 20 - HG2 LYS 44 lone 1 56 - 2 - HD2 LYS 20 - HG2 LYS 44 lone 1 56 - 2 - HG3 ARG 95 - HG2 LYS 44 lone 1 51 - 2 - HG3 LYS 39 - HG2 LYS 73 lone 1 77 - 1 - HD2 LYS 16 - HG2 LYS 44 lone 1 57 - 1 - HD3 LYS 16 - HG2 LYS 44 lone 1 55 - 1 - HD2 LYS 17 - HG2 LYS 73 lone 0 100 - 0 - HG3 LYS 123 - HG2 LYS 73 lone 0 77 - 0 - HD2 LYS 17 - HG2 LYS 44 lone 0 56 - 1 - HD3 LYS 40 - HG2 LYS 44 lone 0 56 - 1 - HD2 LYS 40 - HG2 LYS 44 lone 0 57 - 1 - HB ILE 54 - HG2 LYS 73 lone 0 100 - 0 - HG12 ILE 71 - HG2 LYS 44 lone 0 48 - 1 - HB ILE 56 - HG2 LYS 73 lone 0 99 - 0 - HB ILE 54 - HG2 LYS 44 lone 0 57 - 0 - HB ILE 56 - HG2 LYS 44 lone 0 55 - 0 - Peak 5161 from cnoeabs.peaks (2.98, 1.60, 24.91 ppm; 3.72 A): 2 out of 28 assignments used, quality = 1.00: * HE2 LYS 73 + HG2 LYS 73 OK 99 100 - 99 - 3.8=95, 1.8/5197=12...(37) HE3 LYS 73 + HG2 LYS 73 OK 98 99 - 99 - 3.8=95, 1.8/5197=13...(34) HE2 LYS 43 - HG2 LYS 73 OK 43 100 - 44 - 5197=5, 5171/1.8=4...(14) HE3 LYS 43 - HG2 LYS 73 OK 40 97 - 42 - 1.8/5197=5, 5197=4...(12) HE2 LYS 20 - HG2 LYS 73 OK 22 65 - 34 - 5172/1.8=3, 3.0/5177=2...(11) HE3 LYS 20 - HG2 LYS 73 OK 22 65 - 34 - 5172/1.8=3, 3.0/5177=2...(11) HE2 LYS 40 - HG2 LYS 73 OK 11 81 - 13 - 5207=1, 5172/1.8=1 HE3 LYS 39 - HG2 LYS 73 lone 10 100 - 9 - 5197=1, 5171/1.8=1 HE3 LYS 40 - HG2 LYS 73 poor 10 73 - 13 - 5172/1.8=1, 1.8/5207=1 HE2 LYS 39 - HG2 LYS 73 lone 10 100 - 9 - 5197=1, 5171/1.8=1 HE3 LYS 39 - HG2 LYS 44 poor 8 57 - 14 - 5197=1, 1.8/5197=1 HE2 LYS 39 - HG2 LYS 44 poor 8 56 - 14 - 5197=1, 1.8/5197=1 HE2 LYS 73 - HG2 LYS 44 poor 7 57 - 13 - 5197=1 HE2 LYS 43 - HG2 LYS 44 poor 7 57 - 13 - 5197=1 HE3 LYS 73 - HG2 LYS 44 poor 7 55 - 13 - HE3 LYS 43 - HG2 LYS 44 poor 7 52 - 12 - HE3 LYS 20 - HG2 LYS 44 lone 1 31 - 4 - HE2 LYS 20 - HG2 LYS 44 lone 1 31 - 4 - HD3 ARG 118 - HG2 LYS 73 lone 1 90 - 1 - HE2 LYS 40 - HG2 LYS 44 lone 1 39 - 2 - HE3 LYS 40 - HG2 LYS 44 lone 1 35 - 2 - HB2 ASN 24 - HG2 LYS 73 lone 1 77 - 1 - HB3 ASN 24 - HG2 LYS 73 lone 1 77 - 1 - HB3 PHE 51 - HG2 LYS 73 lone 0 77 - 1 - HD3 ARG 118 - HG2 LYS 44 lone 0 46 - 0 - HB3 ASN 24 - HG2 LYS 44 lone 0 37 - 0 - HB2 ASN 24 - HG2 LYS 44 lone 0 37 - 0 - HB3 PHE 51 - HG2 LYS 44 lone 0 37 - 0 - Peak 5162 from cnoeabs.peaks (2.98, 1.60, 24.91 ppm; 3.62 A): 2 out of 28 assignments used, quality = 1.00: * HE3 LYS 73 + HG2 LYS 73 OK 97 100 - 97 - 3.8=87, 1.8/5197=12...(31) HE2 LYS 73 + HG2 LYS 73 OK 96 99 - 98 - 3.8=87, 1.8/5197=12...(37) HE2 LYS 43 - HG2 LYS 73 OK 42 100 - 42 - 5197=5, 5171/1.8=4...(14) HE3 LYS 43 - HG2 LYS 73 OK 40 100 - 40 - 5197=4, 1.8/5197=4...(12) HE2 LYS 20 - HG2 LYS 73 OK 28 84 - 33 - 5172/1.8=3, 5207=2...(11) HE3 LYS 20 - HG2 LYS 73 OK 28 84 - 33 - 5172/1.8=3, 5207=2...(11) HE2 LYS 40 - HG2 LYS 73 OK 12 94 - 12 - 5207=1, 5172/1.8=1 HE3 LYS 40 - HG2 LYS 73 OK 11 90 - 12 - 5172/1.8=1 HE3 LYS 39 - HG2 LYS 73 lone 9 99 - 9 - 5197=1 HE2 LYS 39 - HG2 LYS 73 lone 9 100 - 9 - 5197=1 HE2 LYS 39 - HG2 LYS 44 poor 8 57 - 14 - 5197=1, 1.8/5197=1 HE3 LYS 39 - HG2 LYS 44 poor 8 56 - 14 - 5197=1 HE3 LYS 73 - HG2 LYS 44 poor 7 57 - 12 - HE2 LYS 43 - HG2 LYS 44 poor 7 56 - 12 - 5197=1 HE3 LYS 43 - HG2 LYS 44 poor 7 57 - 12 - HE2 LYS 73 - HG2 LYS 44 poor 7 55 - 12 - 5197=1 HE3 LYS 20 - HG2 LYS 44 lone 1 42 - 3 - HE2 LYS 20 - HG2 LYS 44 lone 1 42 - 3 - HE2 LYS 40 - HG2 LYS 44 lone 1 49 - 2 - HD3 ARG 118 - HG2 LYS 73 lone 1 98 - 1 - HE3 LYS 40 - HG2 LYS 44 lone 1 46 - 2 - HB2 ASN 24 - HG2 LYS 73 lone 1 92 - 1 - HB3 ASN 24 - HG2 LYS 73 lone 1 92 - 1 - HB3 PHE 51 - HG2 LYS 73 lone 0 92 - 0 - HD3 ARG 118 - HG2 LYS 44 lone 0 54 - 0 - HB3 ASN 24 - HG2 LYS 44 lone 0 48 - 0 - HB2 ASN 24 - HG2 LYS 44 lone 0 48 - 0 - HB3 PHE 51 - HG2 LYS 44 lone 0 48 - 0 - Peak 5163 from cnoeabs.peaks (7.72, 1.48, 24.91 ppm; 4.47 A): 2 out of 3 assignments used, quality = 0.98: * H LYS 73 + HG3 LYS 73 OK 95 100 - 95 - 4.9=77, 1480/1.8=36...(16) H LEU 70 + HG3 LYS 73 OK 66 98 - 67 - 3.0/11081=31...(14) H GLU 47 - HG3 LYS 73 lone 9 92 - 9 - 5153/1.8=2, 4.6/274=2...(4) Peak 5164 from cnoeabs.peaks (4.29, 1.48, 24.91 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 73 + HG3 LYS 73 OK 100 100 - 100 - 3.8=100 Peak 5165 from cnoeabs.peaks (1.90, 1.48, 24.91 ppm; 3.22 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 73 + HG3 LYS 73 OK 100 100 - 100 - 2.9=100 HB3 LYS 73 + HG3 LYS 73 OK 100 100 - 100 - 2.9=100 Peak 5166 from cnoeabs.peaks (1.89, 1.48, 24.91 ppm; 3.22 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 73 + HG3 LYS 73 OK 100 100 - 100 - 2.9=100 HB2 LYS 73 + HG3 LYS 73 OK 100 100 - 100 - 2.9=100 Peak 5167 from cnoeabs.peaks (1.60, 1.48, 24.91 ppm; 2.51 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 73 + HG3 LYS 73 OK 100 100 - 100 - 1.8=100 Peak 5168 from cnoeabs.peaks (1.48, 1.48, 24.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 73 + HG3 LYS 73 OK 100 100 - 100 Peak 5169 from cnoeabs.peaks (1.68, 1.48, 24.91 ppm; 2.52 A): 2 out of 22 assignments used, quality = 0.97: HD3 LYS 73 + HG3 LYS 73 OK 82 100 - 82 - 3.0=62, 5187/1.8=7...(17) * HD2 LYS 73 + HG3 LYS 73 OK 82 100 - 82 - 3.0=62, 5177/1.8=7...(17) HD3 LYS 20 - HG3 LYS 73 OK 21 100 - 22 - 5177/1.8=2, 5178=2, 1.8/5178=1 HD2 LYS 20 - HG3 LYS 73 OK 21 100 - 22 - 5177/1.8=2, 5178=2, 1.8/5178=1 HD2 LYS 43 - HG3 LYS 73 OK 20 98 - 20 - 5187/1.8=2, 5188=2...(5) HD3 LYS 43 - HG3 LYS 73 OK 20 100 - 20 - 5177/1.8=2, 5188=2...(5) HD2 LYS 96 - HG3 LYS 73 lone 9 99 - 9 - HD3 LYS 96 - HG3 LYS 73 lone 9 100 - 9 - HD3 LYS 40 - HG3 LYS 73 lone 5 99 - 5 - HD2 LYS 40 - HG3 LYS 73 lone 5 100 - 5 - HG12 ILE 71 - HG3 LYS 73 lone 4 94 - 4 - 3.9/9773=1 HD2 LYS 16 - HG3 LYS 73 lone 4 100 - 4 - HD3 LYS 16 - HG3 LYS 73 lone 3 99 - 3 - HD2 LYS 44 - HG3 LYS 73 lone 2 73 - 3 - HD3 LYS 44 - HG3 LYS 73 lone 2 65 - 3 - HG3 ARG 95 - HG3 LYS 73 lone 2 94 - 2 - HG LEU 74 - HG3 LYS 73 lone 2 61 - 3 - 4.9/7672=2 HG3 LYS 39 - HG3 LYS 73 lone 1 81 - 1 - HG3 LYS 123 - HG3 LYS 73 lone 1 81 - 1 - HD2 LYS 17 - HG3 LYS 73 lone 0 99 - 0 - HB ILE 54 - HG3 LYS 73 lone 0 100 - 0 - HB ILE 56 - HG3 LYS 73 lone 0 99 - 0 - Peak 5170 from cnoeabs.peaks (1.68, 1.48, 24.91 ppm; 2.52 A): 2 out of 21 assignments used, quality = 0.97: * HD3 LYS 73 + HG3 LYS 73 OK 82 100 - 82 - 3.0=62, 5187/1.8=7...(17) HD2 LYS 73 + HG3 LYS 73 OK 82 100 - 82 - 3.0=62, 5177/1.8=7...(17) HD3 LYS 20 - HG3 LYS 73 OK 21 100 - 22 - 5177/1.8=2, 5178=2, 1.8/5178=1 HD2 LYS 20 - HG3 LYS 73 OK 21 99 - 22 - 5177/1.8=2, 5178=2, 1.8/5178=1 HD2 LYS 43 - HG3 LYS 73 OK 20 99 - 20 - 5187/1.8=2, 5188=2...(5) HD3 LYS 43 - HG3 LYS 73 OK 20 100 - 20 - 5187/1.8=2, 5188=2...(5) HD2 LYS 96 - HG3 LYS 73 lone 9 100 - 9 - HD3 LYS 96 - HG3 LYS 73 lone 9 100 - 9 - HD3 LYS 40 - HG3 LYS 73 lone 5 100 - 5 - HD2 LYS 40 - HG3 LYS 73 lone 5 100 - 5 - HG12 ILE 71 - HG3 LYS 73 lone 4 92 - 4 - 3.9/9773=1 HD2 LYS 16 - HG3 LYS 73 lone 4 100 - 4 - HD3 LYS 16 - HG3 LYS 73 lone 3 99 - 3 - HD2 LYS 44 - HG3 LYS 73 lone 2 70 - 3 - HD3 LYS 44 - HG3 LYS 73 lone 2 61 - 3 - HG3 ARG 95 - HG3 LYS 73 lone 2 96 - 2 - HG3 LYS 39 - HG3 LYS 73 lone 1 77 - 1 - HG3 LYS 123 - HG3 LYS 73 lone 1 77 - 1 - HD2 LYS 17 - HG3 LYS 73 lone 0 100 - 0 - HB ILE 54 - HG3 LYS 73 lone 0 100 - 0 - HB ILE 56 - HG3 LYS 73 lone 0 99 - 0 - Peak 5171 from cnoeabs.peaks (2.98, 1.48, 24.91 ppm; 3.62 A): 2 out of 14 assignments used, quality = 1.00: * HE2 LYS 73 + HG3 LYS 73 OK 98 100 - 98 - 3.8=87, 5197/1.8=12...(35) HE3 LYS 73 + HG3 LYS 73 OK 96 99 - 97 - 3.8=87, 5197/1.8=12...(31) HE2 LYS 43 - HG3 LYS 73 OK 40 100 - 40 - 5197/1.8=4, 5198=4...(14) HE3 LYS 43 - HG3 LYS 73 OK 38 97 - 39 - 5197/1.8=4, 5198=3...(14) HE3 LYS 20 - HG3 LYS 73 OK 20 65 - 31 - 3.0/5170=3, 3.0/5170=3...(14) HE2 LYS 20 - HG3 LYS 73 OK 20 65 - 31 - 3.0/5170=3, 3.0/5170=3...(14) HE3 LYS 39 - HG3 LYS 73 lone 9 100 - 9 - HE2 LYS 40 - HG3 LYS 73 poor 9 81 - 11 - 5162/1.8=1 HE2 LYS 39 - HG3 LYS 73 lone 9 100 - 9 - HE3 LYS 40 - HG3 LYS 73 poor 9 73 - 11 - HD3 ARG 118 - HG3 LYS 73 lone 1 90 - 1 - HB2 ASN 24 - HG3 LYS 73 lone 1 77 - 1 - HB3 ASN 24 - HG3 LYS 73 lone 1 77 - 1 - HB3 PHE 51 - HG3 LYS 73 lone 0 77 - 0 - Peak 5172 from cnoeabs.peaks (2.98, 1.48, 24.91 ppm; 3.65 A): 2 out of 14 assignments used, quality = 1.00: * HE3 LYS 73 + HG3 LYS 73 OK 98 100 - 98 - 3.8=90, 5197/1.8=12...(31) HE2 LYS 73 + HG3 LYS 73 OK 97 99 - 98 - 3.8=90, 5197/1.8=12...(35) HE2 LYS 43 - HG3 LYS 73 OK 40 100 - 40 - 5197/1.8=4, 5198=4...(14) HE3 LYS 43 - HG3 LYS 73 OK 40 100 - 40 - 5197/1.8=4, 1.8/5198=3...(14) HE2 LYS 20 - HG3 LYS 73 OK 27 84 - 32 - 3.0/5170=3, 3.0/5170=3...(14) HE3 LYS 20 - HG3 LYS 73 OK 27 84 - 32 - 3.0/5170=3, 3.0/5170=3...(14) HE2 LYS 40 - HG3 LYS 73 OK 11 94 - 11 - 5162/1.8=1 HE3 LYS 40 - HG3 LYS 73 OK 11 90 - 12 - 5162/1.8=1 HE3 LYS 39 - HG3 LYS 73 lone 9 99 - 9 - HE2 LYS 39 - HG3 LYS 73 lone 9 100 - 9 - HD3 ARG 118 - HG3 LYS 73 lone 1 98 - 1 - HB2 ASN 24 - HG3 LYS 73 lone 1 92 - 1 - HB3 ASN 24 - HG3 LYS 73 lone 1 92 - 1 - HB3 PHE 51 - HG3 LYS 73 lone 0 92 - 0 - Peak 5173 from cnoeabs.peaks (7.72, 1.68, 28.78 ppm; 4.24 A): 4 out of 27 assignments used, quality = 0.99: * H LYS 73 + HD2 LYS 73 OK 82 100 - 82 - 6.4=28, 1480/3.0=28...(18) H LYS 73 + HD3 LYS 73 OK 82 100 - 82 - 6.4=28, 1480/3.0=28...(18) H LEU 70 + HD2 LYS 73 OK 53 98 - 54 - ~11081=14, 5163/3.0=11...(11) H LEU 70 + HD3 LYS 73 OK 53 98 - 54 - ~11081=14, 5163/3.0=11...(11) H LYS 73 - HG12 ILE 71 OK 38 83 - 46 - 2124/3.9=17, 2125/4.6=12...(9) H LYS 73 - HD3 LYS 20 OK 32 100 - 32 - 1481/3.0=5, 1483=4...(15) H LYS 73 - HD2 LYS 20 OK 32 99 - 32 - 1481/3.0=5, 1483=4...(15) H LEU 70 - HG12 ILE 71 OK 28 78 - 36 - 1913/4.6=17, 9795/3.2=6...(8) H LYS 73 - HD3 LYS 43 OK 23 100 - 23 - 3.0/5184=3, 1483=3...(12) H LYS 73 - HD2 LYS 43 OK 22 96 - 23 - 3.0/5184=3, 1483=3...(12) H LYS 73 - HD3 LYS 96 OK 13 96 - 13 - 1483=2, 2127/5.3=1...(4) H LYS 73 - HD2 LYS 96 OK 12 94 - 13 - 1483=2, 2127/5.3=1...(4) H GLU 47 - HG12 ILE 71 poor 8 71 - 11 - 9795/3.2=4, 434/4.6=3...(4) H LEU 70 - HD3 LYS 20 lone 6 98 - 6 - 3.0/11077=1 H GLU 47 - HD2 LYS 73 lone 6 92 - 6 - 5163/3.0=1, 5153/3.0=1 H GLU 47 - HD3 LYS 73 lone 6 92 - 6 - 5163/3.0=1, 5153/3.0=1 H LEU 70 - HD2 LYS 20 lone 6 97 - 6 - 3.0/11077=1 H LEU 70 - HD3 LYS 96 lone 6 92 - 6 - 1461/3.0=1 H LEU 70 - HD2 LYS 96 lone 5 90 - 6 - 1461/3.0=1 H LEU 70 - HD3 LYS 43 lone 4 98 - 4 - H GLU 47 - HD3 LYS 96 lone 3 85 - 4 - H GLU 47 - HD3 LYS 43 lone 3 92 - 4 - 9462/3.8=1, 9462/3.8=1 H LEU 70 - HD2 LYS 43 lone 3 92 - 3 - H GLU 47 - HD2 LYS 96 lone 3 82 - 4 - H GLU 47 - HD2 LYS 43 lone 3 84 - 3 - 9462/3.8=1, 9462/3.8=1 H GLU 47 - HD3 LYS 20 lone 2 91 - 2 - H GLU 47 - HD2 LYS 20 lone 2 90 - 2 - Peak 5174 from cnoeabs.peaks (4.29, 1.68, 28.78 ppm; 3.59 A): 2 out of 36 assignments used, quality = 0.96: * HA LYS 73 + HD2 LYS 73 OK 80 100 - 80 - 5.5=28, 5128/3.0=16...(26) HA LYS 73 + HD3 LYS 73 OK 80 100 - 80 - 5.5=28, 5128/3.0=16...(26) HA LYS 73 - HD3 LYS 20 OK 29 100 - 30 - 5128/3.0=4, 5130=3...(9) HA LYS 73 - HD2 LYS 20 OK 29 99 - 30 - 5128/3.0=4, 5130=3...(9) HA LYS 73 - HD3 LYS 43 OK 24 100 - 24 - 5130=3, 5130/1.8=2...(7) HA LYS 73 - HD2 LYS 43 OK 23 96 - 25 - 5130=3, 5130/1.8=2...(7) HA LYS 73 - HG12 ILE 71 OK 12 83 - 15 - ~9814=3, ~9795=3...(7) HA LYS 73 - HD3 LYS 96 OK 11 96 - 11 - 5130=1, 5130/1.8=1 HA LYS 73 - HD2 LYS 96 OK 11 94 - 12 - 5130=1, 5130/1.8=1 HA GLN 100 - HD3 LYS 96 lone 2 55 - 3 - HA GLN 100 - HD2 LYS 96 lone 2 53 - 3 - HA GLN 100 - HG12 ILE 71 lone 1 44 - 2 - HA LEU 127 - HD2 LYS 73 lone 1 94 - 1 - HA LEU 127 - HD3 LYS 73 lone 1 94 - 1 - HA ASP 12 - HG12 ILE 71 lone 1 47 - 1 - HA GLN 100 - HD2 LYS 73 lone 1 61 - 1 - HA GLN 100 - HD3 LYS 73 lone 1 61 - 1 - HA LEU 127 - HD3 LYS 43 lone 1 94 - 1 - HA ASP 12 - HD3 LYS 43 lone 1 65 - 1 - HA LEU 127 - HD2 LYS 43 lone 1 87 - 1 - HA GLN 100 - HD3 LYS 20 lone 1 61 - 1 - HA GLN 100 - HD2 LYS 20 lone 1 60 - 1 - HA ASP 12 - HD2 LYS 43 lone 1 58 - 1 - HA LEU 127 - HD3 LYS 20 lone 0 93 - 0 - HA LEU 127 - HD2 LYS 20 lone 0 92 - 0 - HA ASP 12 - HD2 LYS 73 lone 0 65 - 1 - HA ASP 12 - HD3 LYS 73 lone 0 65 - 1 - HA LEU 127 - HD3 LYS 96 lone 0 87 - 0 - HA LEU 127 - HD2 LYS 96 lone 0 85 - 0 - HA LEU 127 - HG12 ILE 71 lone 0 73 - 1 - HA GLN 100 - HD3 LYS 43 lone 0 61 - 1 - HA GLN 100 - HD2 LYS 43 lone 0 55 - 1 - HA ASP 12 - HD3 LYS 20 lone 0 65 - 0 - HA ASP 12 - HD2 LYS 20 lone 0 64 - 0 - HA ASP 12 - HD3 LYS 96 lone 0 59 - 0 - HA ASP 12 - HD2 LYS 96 lone 0 57 - 0 - Peak 5175 from cnoeabs.peaks (1.90, 1.68, 28.78 ppm; 2.72 A): 15 out of 189 assignments used, quality = 1.00: HB2 LYS 20 + HD3 LYS 20 OK 81 98 - 82 - 3.4=49, 2.9/3079=6...(38) HB3 LYS 20 + HD3 LYS 20 OK 81 98 - 82 - 3.4=49, 2.9/3079=6...(38) HB2 LYS 20 + HD2 LYS 20 OK 80 98 - 82 - 3.4=49, 2.9/3079=6...(39) HB3 LYS 20 + HD2 LYS 20 OK 80 98 - 82 - 3.4=49, 2.9/3079=6...(39) HB2 LYS 96 + HD3 LYS 96 OK 77 92 - 83 - 3.4=49, 1.8/6097=8...(38) HB2 LYS 96 + HD2 LYS 96 OK 75 90 - 84 - 3.4=49, 1.8/6097=8...(39) HB2 LYS 73 + HD3 LYS 73 OK 75 100 - 75 - 3.8=35, 2.9/5170=7...(35) * HB2 LYS 73 + HD2 LYS 73 OK 75 100 - 75 - 3.8=35, 2.9/5170=7...(35) HB3 LYS 73 + HD3 LYS 73 OK 75 100 - 75 - 3.8=35, 2.9/5170=7...(35) HB3 LYS 73 + HD2 LYS 73 OK 75 100 - 75 - 3.8=35, 2.9/5170=7...(35) HB3 LYS 43 + HD3 LYS 43 OK 70 98 - 71 - 3.8=35, 3.0/3846=6...(28) HB3 LYS 43 + HD2 LYS 43 OK 66 92 - 72 - 3.8=35, 3.0/3846=6...(31) HB ILE 71 + HG12 ILE 71 OK 66 82 - 80 - 3.0=73, ~5089=9, ~5107=7...(6) HB2 LYS 43 + HD3 LYS 43 OK 62 87 - 72 - 3.8=35, 3.0/3846=6...(28) HB2 LYS 43 + HD2 LYS 43 OK 57 79 - 73 - 3.8=35, 3.0/3846=6...(31) HB3 LYS 44 - HD3 LYS 96 OK 31 82 - 38 - 2.9/6107=2, 2.9/6136=1...(7) HB3 LYS 44 - HD2 LYS 96 OK 31 80 - 39 - 2.9/6107=2, 2.9/6136=1...(7) HB2 LYS 20 - HD2 LYS 73 OK 30 99 - 31 - 2.9/3079=2, 2.9/3069=2 HB3 LYS 20 - HD2 LYS 73 OK 30 99 - 31 - 2.9/3079=2, 2.9/3069=2 HB2 LYS 20 - HD3 LYS 73 OK 30 99 - 31 - 2.9/3079=2, 2.9/3069=2 HB3 LYS 20 - HD3 LYS 73 OK 30 99 - 31 - 2.9/3079=2, 2.9/3069=2 HB2 LYS 20 - HD3 LYS 43 OK 30 99 - 31 - 2.9/3069=2, 2.9/3079=2...(5) HB3 LYS 20 - HD3 LYS 43 OK 30 99 - 31 - 2.9/3069=2, 2.9/3079=2...(5) HB3 LYS 20 - HD2 LYS 43 OK 29 93 - 31 - 2.9/3069=2, 2.9/3079=2...(5) HB2 LYS 20 - HD2 LYS 43 OK 29 93 - 31 - 2.9/3069=2, 2.9/3079=2...(5) HB3 LYS 43 - HD3 LYS 20 OK 25 98 - 26 - 3.0/3816=2, 3.0/3847=2...(7) HB2 LYS 44 - HD3 LYS 96 OK 25 66 - 38 - 2.9/6107=2, 2.9/6136=1...(6) HB3 LYS 43 - HD2 LYS 20 OK 25 97 - 26 - 3.0/3816=2, 3.0/3847=1...(7) HB2 LYS 44 - HD2 LYS 96 OK 25 64 - 39 - 2.9/6107=2, 2.9/6136=1...(6) HB2 LYS 43 - HD3 LYS 20 OK 23 86 - 27 - 3.0/3816=2, 3.0/3847=2...(7) HB2 LYS 73 - HD3 LYS 20 OK 23 100 - 23 - 2.9/5170=2, 2.9/5177=1 HB2 LYS 73 - HD2 LYS 20 OK 23 99 - 23 - 2.9/5170=2, 2.9/5177=1 HB2 LYS 43 - HD2 LYS 20 OK 23 85 - 27 - 3.0/3816=2, 3.0/3847=1...(7) HB3 LYS 73 - HD3 LYS 20 OK 23 100 - 23 - 2.9/5170=2, 2.9/5177=1 HB3 LYS 73 - HD2 LYS 20 OK 23 99 - 23 - 2.9/5170=2, 2.9/5177=1 HB2 LYS 73 - HD3 LYS 43 OK 22 100 - 22 - 2.9/5170=2, 2.9/5177=1 HB3 LYS 73 - HD3 LYS 43 OK 22 100 - 22 - 2.9/5170=2, 2.9/5177=1 HB2 LYS 73 - HD2 LYS 43 OK 22 96 - 23 - 2.9/5170=2, 2.9/5187=1 HB3 LYS 73 - HD2 LYS 43 OK 21 96 - 22 - 2.9/5170=2, 2.9/5187=1 HB3 LYS 43 - HD2 LYS 73 OK 18 98 - 18 - 3.0/3847=1 HB3 LYS 43 - HD3 LYS 73 OK 18 98 - 18 - 3.0/3846=1 HB2 LYS 43 - HD2 LYS 73 OK 16 87 - 19 - 3.0/3847=1 HB2 LYS 43 - HD3 LYS 73 OK 16 87 - 19 - 3.0/3846=1 HB2 LYS 96 - HD2 LYS 73 OK 15 98 - 16 - 1.8/6097=2 HB2 LYS 96 - HD3 LYS 73 OK 15 98 - 16 - 1.8/6097=2 HB2 LYS 96 - HD3 LYS 20 OK 15 98 - 15 - 1.8/6097=2 HB2 LYS 96 - HD2 LYS 20 OK 15 97 - 15 - 1.8/6097=2 HB2 ARG 95 - HD3 LYS 96 OK 14 96 - 14 - 7789/5.7=3, 3.0/6020=2...(5) HB2 ARG 95 - HD2 LYS 96 OK 13 93 - 14 - 7789/5.7=3, 3.0/6020=2...(4) QE MET 67 - HG12 ILE 71 OK 13 57 - 23 - 9726/2.1=6, ~9782=4...(7) HB2 LYS 96 - HD3 LYS 43 OK 13 98 - 13 - 1.8/6097=1 HB2 LYS 96 - HD2 LYS 43 OK 12 92 - 13 - 1.8/6097=1 HB3 LYS 20 - HD3 LYS 96 OK 10 94 - 11 - HB2 LYS 20 - HD3 LYS 96 OK 10 94 - 11 - HB2 LYS 20 - HD2 LYS 96 poor 10 91 - 11 - HB3 LYS 20 - HD2 LYS 96 poor 10 91 - 11 - HB2 LYS 73 - HD3 LYS 96 poor 10 96 - 10 - HB3 LYS 43 - HD3 LYS 96 poor 10 92 - 10 - HB2 LYS 73 - HD2 LYS 96 poor 10 94 - 10 - HB3 LYS 73 - HD3 LYS 96 lone 10 96 - 10 - HB3 LYS 73 - HD2 LYS 96 poor 10 94 - 10 - HB3 LYS 43 - HD2 LYS 96 poor 9 90 - 10 - HB2 LYS 43 - HD3 LYS 96 poor 8 80 - 11 - HB2 LYS 43 - HD2 LYS 96 poor 8 77 - 10 - HB3 LYS 44 - HD3 LYS 43 lone 8 89 - 9 - HB3 LYS 44 - HD2 LYS 43 lone 7 82 - 9 - HB3 LYS 44 - HD3 LYS 73 lone 7 89 - 8 - HB3 LYS 44 - HD2 LYS 73 lone 7 90 - 8 - HB2 LYS 44 - HD3 LYS 43 lone 6 73 - 9 - HG2 ARG 95 - HD3 LYS 96 poor 6 55 - 11 - 607/5.7=2, 4.1/6020=1 HB ILE 71 - HD2 LYS 73 lone 6 100 - 6 - ~9773=1 HB2 LYS 44 - HD2 LYS 43 lone 6 66 - 9 - HB ILE 71 - HD3 LYS 73 lone 6 100 - 6 - ~9773=1 HG2 ARG 95 - HD2 LYS 96 poor 6 53 - 11 - 607/5.7=2, 4.1/6020=1 HB2 LYS 44 - HD3 LYS 73 lone 6 73 - 8 - HB2 LYS 44 - HD2 LYS 73 lone 6 73 - 8 - HB2 LEU 45 - HD2 LYS 73 lone 5 94 - 5 - HB2 LEU 45 - HD3 LYS 73 lone 5 94 - 5 - HB3 LYS 16 - HD3 LYS 20 lone 5 80 - 6 - HB3 LYS 16 - HD2 LYS 20 lone 5 79 - 6 - HB2 LYS 16 - HD3 LYS 20 lone 5 76 - 6 - HB2 LYS 16 - HD2 LYS 20 lone 5 75 - 6 - HB2 ARG 95 - HD3 LYS 20 lone 5 100 - 5 - HB2 ARG 95 - HD2 LYS 20 lone 5 99 - 4 - HB3 LYS 16 - HD2 LYS 73 lone 4 81 - 6 - HB3 LYS 16 - HD3 LYS 73 lone 4 80 - 6 - HB2 LYS 16 - HD2 LYS 73 lone 4 77 - 6 - HB2 LYS 16 - HD3 LYS 73 lone 4 77 - 6 - HB2 LEU 45 - HD3 LYS 20 lone 4 93 - 4 - HB2 LEU 45 - HD2 LYS 20 lone 4 92 - 4 - HB2 LYS 73 - HG12 ILE 71 lone 4 83 - 5 - 1467/4.6=1 HB3 LYS 73 - HG12 ILE 71 lone 4 82 - 5 - 1467/4.6=1 HG LEU 45 - HD2 LYS 73 lone 3 84 - 4 - HB2 LEU 45 - HD3 LYS 96 lone 3 87 - 4 - HB2 ARG 95 - HD3 LYS 73 lone 3 100 - 3 - HB2 ARG 95 - HD2 LYS 73 lone 3 100 - 3 - HG LEU 45 - HD3 LYS 20 lone 3 83 - 4 - HG LEU 45 - HD3 LYS 73 lone 3 84 - 4 - HG LEU 45 - HD2 LYS 20 lone 3 82 - 4 - HB3 LYS 44 - HD3 LYS 20 lone 3 89 - 3 - HB3 LYS 44 - HD2 LYS 20 lone 3 88 - 3 - HB2 ARG 95 - HD3 LYS 43 lone 3 100 - 3 - HB2 LEU 45 - HD2 LYS 96 lone 3 85 - 3 - HB2 ARG 95 - HD2 LYS 43 lone 3 95 - 3 - HB3 LYS 123 - HG12 ILE 71 lone 3 44 - 6 - ~10612=2 HG LEU 45 - HD3 LYS 96 lone 3 77 - 4 - HB2 LYS 44 - HD3 LYS 20 lone 3 73 - 3 - HB2 LEU 45 - HD3 LYS 43 lone 3 94 - 3 - HG LEU 45 - HD2 LYS 96 lone 3 74 - 3 - HB2 LYS 44 - HD2 LYS 20 lone 3 71 - 3 - HB ILE 71 - HD3 LYS 96 lone 2 96 - 2 - HB3 LYS 123 - HD3 LYS 96 lone 2 55 - 4 - HB ILE 71 - HD2 LYS 96 lone 2 94 - 2 - HB3 LYS 123 - HD2 LYS 96 lone 2 53 - 4 - HB2 LYS 96 - HG12 ILE 71 lone 2 78 - 3 - HB2 LEU 45 - HD2 LYS 43 lone 2 87 - 2 - HG LEU 45 - HD3 LYS 43 lone 2 84 - 2 - HG LEU 45 - HD2 LYS 43 lone 2 76 - 2 - HG2 ARG 95 - HD3 LYS 20 lone 2 61 - 3 - HG2 ARG 95 - HD2 LYS 20 lone 2 60 - 3 - HB ILE 71 - HD3 LYS 20 lone 1 100 - 1 - HB ILE 71 - HD2 LYS 20 lone 1 99 - 1 - HB3 LYS 16 - HD3 LYS 43 lone 1 80 - 2 - HB2 LYS 16 - HD3 LYS 43 lone 1 77 - 2 - HB3 LYS 16 - HD2 LYS 43 lone 1 73 - 2 - HB2 LYS 16 - HD2 LYS 43 lone 1 70 - 2 - HB2 LEU 45 - HG12 ILE 71 lone 1 73 - 2 - HB3 LYS 16 - HD3 LYS 96 lone 1 73 - 2 - HB3 LYS 16 - HD2 LYS 96 lone 1 71 - 2 - HG2 ARG 95 - HD3 LYS 43 lone 1 61 - 2 - HB2 LYS 16 - HD3 LYS 96 lone 1 70 - 2 - HB2 LYS 16 - HD2 LYS 96 lone 1 68 - 2 - HB2 GLU 128 - HD3 LYS 96 lone 1 92 - 1 - HG2 ARG 95 - HD3 LYS 73 lone 1 61 - 2 - HG2 ARG 95 - HD2 LYS 73 lone 1 61 - 2 - HB2 GLU 128 - HD2 LYS 96 lone 1 90 - 1 - HG2 ARG 95 - HD2 LYS 43 lone 1 55 - 2 - HG LEU 45 - HG12 ILE 71 lone 1 63 - 2 - HB3 LYS 44 - HG12 ILE 71 lone 1 68 - 1 - HB3 LYS 123 - HD3 LYS 43 lone 1 61 - 1 - HB2 LYS 49 - HG12 ILE 71 lone 1 81 - 1 - HB ILE 7 - HD3 LYS 20 lone 1 99 - 1 - HB ILE 7 - HD2 LYS 20 lone 1 99 - 1 - HB ILE 71 - HD3 LYS 43 lone 1 100 - 1 - HB3 LYS 123 - HD3 LYS 20 lone 1 61 - 1 - HB3 LYS 123 - HD2 LYS 20 lone 1 60 - 1 - HB2 LYS 20 - HG12 ILE 71 lone 1 80 - 1 - HB3 LYS 20 - HG12 ILE 71 lone 1 80 - 1 - HB ILE 7 - HD3 LYS 43 lone 1 100 - 1 - HB ILE 7 - HD2 LYS 43 lone 1 95 - 1 - HB2 LYS 44 - HG12 ILE 71 lone 1 54 - 1 - HB3 LYS 123 - HD2 LYS 73 lone 1 61 - 1 - HB3 LYS 123 - HD3 LYS 73 lone 1 61 - 1 - HB ILE 71 - HD2 LYS 43 lone 1 96 - 1 - HB2 ARG 95 - HG12 ILE 71 lone 1 82 - 1 - HB3 LYS 123 - HD2 LYS 43 lone 1 55 - 1 - HB ILE 7 - HD3 LYS 73 lone 0 100 - 0 - HB ILE 7 - HD2 LYS 73 lone 0 100 - 0 - HB3 LYS 16 - HG12 ILE 71 lone 0 60 - 1 - HB ILE 7 - HD3 LYS 96 lone 0 95 - 0 - HB ILE 7 - HD2 LYS 96 lone 0 93 - 0 - HB2 LYS 16 - HG12 ILE 71 lone 0 57 - 1 - HB2 LYS 49 - HD3 LYS 20 lone 0 99 - 0 - HB2 LYS 49 - HD2 LYS 20 lone 0 98 - 0 - HB2 LYS 49 - HD3 LYS 96 lone 0 94 - 0 - HB3 LYS 43 - HG12 ILE 71 lone 0 78 - 0 - HB2 LYS 49 - HD2 LYS 96 lone 0 92 - 0 - HB ILE 7 - HG12 ILE 71 lone 0 81 - 0 - HB2 GLU 128 - HD2 LYS 73 lone 0 98 - 0 - HB2 GLU 128 - HD3 LYS 73 lone 0 98 - 0 - HB2 GLU 128 - HD3 LYS 20 lone 0 98 - 0 - HB2 GLU 128 - HD2 LYS 20 lone 0 97 - 0 - HB2 GLU 128 - HD3 LYS 43 lone 0 98 - 0 - HB2 LYS 43 - HG12 ILE 71 lone 0 65 - 0 - HB2 LYS 49 - HD2 LYS 73 lone 0 99 - 0 - HB2 LYS 49 - HD3 LYS 73 lone 0 99 - 0 - HB2 GLU 128 - HG12 ILE 71 lone 0 78 - 0 - HB2 LYS 49 - HD3 LYS 43 lone 0 99 - 0 - QE MET 67 - HD3 LYS 20 lone 0 76 - 0 - QE MET 67 - HD2 LYS 20 lone 0 75 - 0 - HB2 GLU 128 - HD2 LYS 43 lone 0 92 - 0 - QE MET 67 - HD3 LYS 96 lone 0 70 - 0 - HB2 LYS 49 - HD2 LYS 43 lone 0 94 - 0 - QE MET 67 - HD2 LYS 96 lone 0 68 - 0 - QE MET 67 - HD2 LYS 73 lone 0 77 - 0 - QE MET 67 - HD3 LYS 73 lone 0 77 - 0 - QE MET 67 - HD3 LYS 43 lone 0 77 - 0 - QE MET 67 - HD2 LYS 43 lone 0 70 - 0 - HG2 ARG 95 - HG12 ILE 71 lone 0 44 - 0 - Peak 5176 from cnoeabs.peaks (1.89, 1.68, 28.78 ppm; 2.72 A): 15 out of 180 assignments used, quality = 1.00: HB2 LYS 20 + HD3 LYS 20 OK 81 99 - 82 - 3.4=49, 2.9/3079=6...(38) HB3 LYS 20 + HD3 LYS 20 OK 81 99 - 82 - 3.4=49, 2.9/3079=6...(38) HB2 LYS 20 + HD2 LYS 20 OK 81 98 - 82 - 3.4=49, 2.9/3079=6...(39) HB3 LYS 20 + HD2 LYS 20 OK 81 98 - 82 - 3.4=49, 2.9/3079=6...(39) HB2 LYS 96 + HD3 LYS 96 OK 76 91 - 83 - 3.4=49, 1.8/6097=8...(38) HB2 LYS 73 + HD3 LYS 73 OK 75 100 - 75 - 3.8=35, 2.9/5170=7...(35) HB2 LYS 73 + HD2 LYS 73 OK 75 100 - 75 - 3.8=35, 2.9/5170=7...(35) HB3 LYS 73 + HD3 LYS 73 OK 75 100 - 75 - 3.8=35, 2.9/5170=7...(35) * HB3 LYS 73 + HD2 LYS 73 OK 75 100 - 75 - 3.8=35, 2.9/5170=7...(35) HB2 LYS 96 + HD2 LYS 96 OK 74 88 - 84 - 3.4=49, 1.8/6097=8...(39) HB3 LYS 43 + HD3 LYS 43 OK 69 97 - 71 - 3.8=35, 3.0/3846=6...(28) HB ILE 71 + HG12 ILE 71 OK 65 82 - 80 - 3.0=73, ~5089=9, ~5107=7...(6) HB3 LYS 43 + HD2 LYS 43 OK 65 90 - 72 - 3.8=35, 3.0/3846=6...(31) HB2 LYS 43 + HD3 LYS 43 OK 60 84 - 72 - 3.8=35, 3.0/3846=6...(28) HB2 LYS 43 + HD2 LYS 43 OK 55 76 - 73 - 3.8=35, 3.0/3846=6...(31) HB3 LYS 20 - HD2 LYS 73 OK 30 99 - 31 - 2.9/3079=2, 2.9/3069=2 HB2 LYS 20 - HD2 LYS 73 OK 30 99 - 31 - 2.9/3079=2, 2.9/3069=2 HB3 LYS 20 - HD3 LYS 73 OK 30 99 - 31 - 2.9/3079=2, 2.9/3069=2 HB2 LYS 20 - HD3 LYS 73 OK 30 99 - 31 - 2.9/3079=2, 2.9/3069=2 HB2 LYS 20 - HD3 LYS 43 OK 30 99 - 31 - 2.9/3069=2, 2.9/3079=2...(5) HB3 LYS 20 - HD3 LYS 43 OK 30 99 - 31 - 2.9/3069=2, 2.9/3079=2...(5) HB3 LYS 44 - HD3 LYS 96 OK 30 80 - 38 - 2.9/6107=2, 2.9/6136=1...(6) HB3 LYS 44 - HD2 LYS 96 OK 30 77 - 39 - 2.9/6107=2, 2.9/6136=1...(7) HB2 LYS 20 - HD2 LYS 43 OK 29 94 - 31 - 2.9/3069=2, 2.9/3079=2...(5) HB3 LYS 20 - HD2 LYS 43 OK 29 94 - 31 - 2.9/3069=2, 2.9/3079=2...(5) HB3 LYS 43 - HD3 LYS 20 OK 25 96 - 26 - 3.0/3816=2, 3.0/3847=2...(6) HB3 LYS 43 - HD2 LYS 20 OK 25 96 - 26 - 3.0/3816=2, 3.0/3847=1...(6) HB2 LYS 44 - HD3 LYS 96 OK 24 63 - 38 - 2.9/6107=2, 2.9/6136=1...(5) HB2 LYS 44 - HD2 LYS 96 OK 23 60 - 39 - 2.9/6107=2, 2.9/6136=1...(6) HB2 LYS 73 - HD3 LYS 20 OK 23 100 - 23 - 2.9/5170=2, 2.9/5177=1 HB2 LYS 73 - HD2 LYS 20 OK 23 99 - 23 - 2.9/5170=2, 2.9/5177=1 HB3 LYS 73 - HD3 LYS 20 OK 23 100 - 23 - 2.9/5170=2, 2.9/5177=1 HB3 LYS 73 - HD2 LYS 20 OK 23 99 - 23 - 2.9/5170=2, 2.9/5177=1 HB2 LYS 43 - HD3 LYS 20 OK 22 83 - 27 - 3.0/3816=2, 3.0/3847=2...(7) HB2 LYS 73 - HD3 LYS 43 OK 22 100 - 22 - 2.9/5170=2, 2.9/5177=1 HB2 LYS 43 - HD2 LYS 20 OK 22 82 - 27 - 3.0/3816=2, 3.0/3847=1...(7) HB3 LYS 73 - HD3 LYS 43 OK 22 100 - 22 - 2.9/5170=2, 2.9/5177=1 HB2 LYS 73 - HD2 LYS 43 OK 21 96 - 23 - 2.9/5170=2, 2.9/5187=1 HB3 LYS 73 - HD2 LYS 43 OK 21 96 - 22 - 2.9/5170=2, 2.9/5187=1 HB3 LYS 43 - HD2 LYS 73 OK 18 97 - 18 - 3.0/3847=1 HB3 LYS 43 - HD3 LYS 73 OK 18 97 - 18 - 3.0/3846=1 HB2 LYS 43 - HD2 LYS 73 OK 16 84 - 19 - 3.0/3847=1 HB2 LYS 43 - HD3 LYS 73 OK 16 84 - 19 - 3.0/3846=1 HB2 LYS 96 - HD2 LYS 73 OK 15 97 - 16 - 1.8/6097=2 HB2 LYS 96 - HD3 LYS 73 OK 15 97 - 16 - 1.8/6097=2 HB2 LYS 96 - HD3 LYS 20 OK 15 96 - 15 - 1.8/6097=2 HB2 LYS 96 - HD2 LYS 20 OK 15 96 - 15 - 1.8/6097=2 QE MET 67 - HG12 ILE 71 OK 14 60 - 23 - 9726/2.1=6, ~9782=4...(7) HB2 ARG 95 - HD3 LYS 96 OK 14 95 - 14 - 7789/5.7=3, 3.0/6020=2...(5) HB2 ARG 95 - HD2 LYS 96 OK 13 93 - 14 - 7789/5.7=3, 3.0/6020=2...(4) HB2 LYS 96 - HD3 LYS 43 OK 13 97 - 13 - 1.8/6097=1 HB2 LYS 96 - HD2 LYS 43 OK 12 90 - 13 - 1.8/6097=1 HB2 LYS 20 - HD3 LYS 96 OK 10 94 - 11 - HB3 LYS 20 - HD3 LYS 96 OK 10 94 - 11 - HB3 LYS 20 - HD2 LYS 96 OK 10 92 - 11 - HB2 LYS 20 - HD2 LYS 96 OK 10 92 - 11 - HB2 LYS 73 - HD3 LYS 96 poor 10 96 - 10 - HB3 LYS 73 - HD3 LYS 96 lone 10 96 - 10 - HB2 LYS 73 - HD2 LYS 96 poor 10 94 - 10 - HB3 LYS 43 - HD3 LYS 96 poor 10 91 - 10 - HB3 LYS 73 - HD2 LYS 96 poor 10 94 - 10 - HB3 LYS 43 - HD2 LYS 96 poor 9 88 - 10 - HB2 LYS 43 - HD3 LYS 96 poor 8 77 - 10 - HB2 LYS 43 - HD2 LYS 96 poor 8 74 - 10 - HB3 LYS 44 - HD3 LYS 43 lone 7 87 - 9 - HB3 LYS 44 - HD2 LYS 43 lone 7 79 - 9 - HB3 LYS 44 - HD3 LYS 73 lone 7 87 - 8 - HG2 ARG 95 - HD3 LYS 96 poor 7 59 - 12 - 607/5.7=2, 4.1/6020=1...(4) HB3 LYS 44 - HD2 LYS 73 lone 7 87 - 8 - HG2 ARG 95 - HD2 LYS 96 poor 7 57 - 12 - 607/5.7=2, 4.1/6020=1...(4) HB ILE 71 - HD2 LYS 73 lone 6 100 - 6 - ~9773=1 HB ILE 71 - HD3 LYS 73 lone 6 100 - 6 - ~9773=1 HB2 LYS 44 - HD3 LYS 43 lone 6 69 - 9 - HB2 LYS 44 - HD2 LYS 43 lone 6 62 - 9 - HB2 LYS 44 - HD3 LYS 73 lone 6 69 - 8 - HB2 LYS 44 - HD2 LYS 73 lone 6 70 - 8 - HB3 LYS 16 - HD3 LYS 20 lone 5 83 - 6 - HB3 LYS 16 - HD2 LYS 20 lone 5 82 - 6 - HB2 LYS 16 - HD3 LYS 20 lone 5 80 - 6 - HB2 LEU 45 - HD2 LYS 73 lone 5 92 - 5 - HB2 LEU 45 - HD3 LYS 73 lone 5 92 - 5 - HB2 LYS 16 - HD2 LYS 20 lone 5 79 - 6 - HB3 LYS 16 - HD2 LYS 73 lone 5 84 - 6 - HB3 LYS 16 - HD3 LYS 73 lone 5 84 - 6 - HB2 LYS 16 - HD2 LYS 73 lone 5 81 - 6 - HB2 LYS 16 - HD3 LYS 73 lone 5 80 - 6 - HB2 ARG 95 - HD3 LYS 20 lone 5 99 - 5 - HB2 ARG 95 - HD2 LYS 20 lone 4 99 - 4 - HB2 LEU 45 - HD3 LYS 20 lone 4 91 - 4 - HB2 LEU 45 - HD2 LYS 20 lone 4 90 - 4 - HB2 LYS 73 - HG12 ILE 71 lone 4 82 - 5 - 1467/4.6=1 HB3 LYS 73 - HG12 ILE 71 lone 4 83 - 5 - 1467/4.6=1 HG LEU 45 - HD2 LYS 73 lone 4 87 - 4 - HG LEU 45 - HD3 LYS 20 lone 3 86 - 4 - HG LEU 45 - HD3 LYS 73 lone 3 87 - 4 - HG LEU 45 - HD2 LYS 20 lone 3 85 - 4 - HB2 ARG 95 - HD3 LYS 73 lone 3 100 - 3 - HB2 ARG 95 - HD2 LYS 73 lone 3 100 - 3 - HB2 LEU 45 - HD3 LYS 96 lone 3 85 - 4 - HB2 ARG 95 - HD3 LYS 43 lone 3 100 - 3 - HB3 LYS 44 - HD3 LYS 20 lone 3 86 - 3 - HB3 LYS 44 - HD2 LYS 20 lone 3 85 - 3 - HG LEU 45 - HD3 LYS 96 lone 3 80 - 4 - HB2 LEU 45 - HD2 LYS 96 lone 3 82 - 3 - HB2 ARG 95 - HD2 LYS 43 lone 3 95 - 3 - HG LEU 45 - HD2 LYS 96 lone 3 77 - 4 - HB2 LEU 45 - HD3 LYS 43 lone 2 92 - 3 - HB2 LYS 44 - HD3 LYS 20 lone 2 69 - 3 - HB2 LYS 44 - HD2 LYS 20 lone 2 68 - 3 - HB ILE 71 - HD3 LYS 96 lone 2 96 - 2 - HB ILE 71 - HD2 LYS 96 lone 2 93 - 2 - HG LEU 45 - HD3 LYS 43 lone 2 87 - 2 - HB2 LYS 96 - HG12 ILE 71 lone 2 77 - 3 - HB2 LEU 45 - HD2 LYS 43 lone 2 84 - 2 - HG LEU 45 - HD2 LYS 43 lone 2 79 - 2 - HG2 ARG 95 - HD3 LYS 20 lone 2 65 - 3 - HG2 ARG 95 - HD2 LYS 20 lone 2 64 - 3 - HB3 LYS 16 - HD3 LYS 43 lone 2 84 - 2 - HB2 LYS 16 - HD3 LYS 43 lone 1 80 - 2 - HB ILE 71 - HD3 LYS 20 lone 1 100 - 1 - HB ILE 71 - HD2 LYS 20 lone 1 99 - 1 - HB3 LYS 16 - HD2 LYS 43 lone 1 76 - 2 - HB2 LYS 16 - HD2 LYS 43 lone 1 73 - 2 - HB3 LYS 16 - HD3 LYS 96 lone 1 77 - 2 - HG2 ARG 95 - HD3 LYS 43 lone 1 65 - 2 - HB3 LYS 16 - HD2 LYS 96 lone 1 74 - 2 - HB2 LYS 16 - HD3 LYS 96 lone 1 73 - 2 - HG2 ARG 95 - HD3 LYS 73 lone 1 65 - 2 - HB2 LYS 16 - HD2 LYS 96 lone 1 71 - 2 - HG2 ARG 95 - HD2 LYS 73 lone 1 65 - 2 - HB2 LEU 45 - HG12 ILE 71 lone 1 71 - 2 - HG2 ARG 95 - HD2 LYS 43 lone 1 58 - 2 - HB2 GLU 128 - HD3 LYS 96 lone 1 91 - 1 - HB2 GLU 128 - HD2 LYS 96 lone 1 88 - 1 - HG LEU 45 - HG12 ILE 71 lone 1 65 - 2 - HB3 LYS 44 - HG12 ILE 71 lone 1 65 - 1 - HB ILE 7 - HD3 LYS 20 lone 1 100 - 1 - HB2 LYS 49 - HG12 ILE 71 lone 1 80 - 1 - HB ILE 7 - HD2 LYS 20 lone 1 99 - 1 - HB ILE 71 - HD3 LYS 43 lone 1 100 - 1 - HB2 LYS 20 - HG12 ILE 71 lone 1 81 - 1 - HB3 LYS 20 - HG12 ILE 71 lone 1 81 - 1 - HB ILE 7 - HD3 LYS 43 lone 1 100 - 1 - HB ILE 7 - HD2 LYS 43 lone 1 95 - 1 - HB ILE 71 - HD2 LYS 43 lone 1 95 - 1 - HB2 LYS 44 - HG12 ILE 71 lone 1 50 - 1 - HB2 ARG 95 - HG12 ILE 71 lone 1 81 - 1 - HB3 LYS 16 - HG12 ILE 71 lone 1 63 - 1 - HB ILE 7 - HD3 LYS 73 lone 0 100 - 0 - HB ILE 7 - HD2 LYS 73 lone 0 100 - 0 - HB ILE 7 - HD3 LYS 96 lone 0 96 - 0 - HB2 LYS 16 - HG12 ILE 71 lone 0 60 - 1 - HB ILE 7 - HD2 LYS 96 lone 0 93 - 0 - HB2 LYS 49 - HD3 LYS 20 lone 0 98 - 0 - HB2 LYS 49 - HD2 LYS 20 lone 0 98 - 0 - HB2 LYS 49 - HD3 LYS 96 lone 0 94 - 0 - HB2 LYS 49 - HD2 LYS 96 lone 0 91 - 0 - HB3 LYS 43 - HG12 ILE 71 lone 0 77 - 0 - HB ILE 7 - HG12 ILE 71 lone 0 82 - 0 - HB2 GLU 128 - HD2 LYS 73 lone 0 97 - 0 - HB2 GLU 128 - HD3 LYS 73 lone 0 97 - 0 - HB2 GLU 128 - HD3 LYS 20 lone 0 96 - 0 - HB2 GLU 128 - HD2 LYS 20 lone 0 96 - 0 - QE MET 67 - HD3 LYS 20 lone 0 80 - 0 - QE MET 67 - HD2 LYS 20 lone 0 79 - 0 - QE MET 67 - HD3 LYS 96 lone 0 73 - 0 - HB2 GLU 128 - HD3 LYS 43 lone 0 97 - 0 - HB2 LYS 49 - HD2 LYS 73 lone 0 99 - 0 - HB2 LYS 49 - HD3 LYS 73 lone 0 99 - 0 - HB2 GLU 128 - HG12 ILE 71 lone 0 77 - 0 - QE MET 67 - HD2 LYS 96 lone 0 71 - 0 - HB2 LYS 49 - HD3 LYS 43 lone 0 99 - 0 - HB2 LYS 43 - HG12 ILE 71 lone 0 63 - 0 - QE MET 67 - HD2 LYS 73 lone 0 81 - 0 - QE MET 67 - HD3 LYS 73 lone 0 80 - 0 - HB2 GLU 128 - HD2 LYS 43 lone 0 90 - 0 - HB2 LYS 49 - HD2 LYS 43 lone 0 93 - 0 - QE MET 67 - HD3 LYS 43 lone 0 80 - 0 - QE MET 67 - HD2 LYS 43 lone 0 73 - 0 - HG2 ARG 95 - HG12 ILE 71 lone 0 47 - 0 - Peak 5177 from cnoeabs.peaks (1.60, 1.68, 28.78 ppm; 2.40 A): 2 out of 81 assignments used, quality = 0.95: * HG2 LYS 73 + HD2 LYS 73 OK 78 100 - 78 - 3.0=53, 1.8/5170=8...(19) HG2 LYS 73 + HD3 LYS 73 OK 78 100 - 78 - 3.0=53, 1.8/5170=8...(19) HG2 LYS 73 - HD3 LYS 20 OK 20 100 - 20 - 5160=3, 1.8/5170=2, 5160/1.8=2 HG2 LYS 73 - HD2 LYS 20 OK 20 99 - 20 - 5160=3, 1.8/5170=2, 5160/1.8=2 HG2 LYS 73 - HD3 LYS 43 OK 20 100 - 20 - 5160=3, 1.8/5170=2...(5) HG2 LYS 73 - HD2 LYS 43 OK 19 96 - 20 - 5160=3, 1.8/5170=2...(5) HG2 LYS 44 - HD3 LYS 96 OK 18 70 - 26 - 1.8/6107=2, 5160=2...(6) HG2 LYS 44 - HD2 LYS 96 OK 17 68 - 26 - 1.8/6107=2, 5160=2...(6) HG2 LYS 73 - HD3 LYS 96 lone 9 96 - 9 - 5160=1 HG2 LYS 73 - HD2 LYS 96 lone 8 94 - 9 - 5160=1 HG LEU 68 - HG12 ILE 71 poor 8 73 - 11 - ~9775=4, 2.1/11075=3...(5) HG2 LYS 44 - HD3 LYS 73 lone 4 77 - 5 - HG2 LYS 44 - HD2 LYS 73 lone 4 77 - 5 - HG2 LYS 44 - HD3 LYS 43 lone 4 77 - 5 - HG2 LYS 44 - HD2 LYS 43 lone 4 70 - 5 - HG2 LYS 73 - HG12 ILE 71 lone 2 83 - 3 - HG2 LYS 44 - HD3 LYS 20 lone 2 76 - 2 - HG2 LYS 44 - HD2 LYS 20 lone 2 75 - 2 - HG3 LYS 19 - HD3 LYS 20 lone 1 100 - 1 - HG3 LYS 19 - HD2 LYS 20 lone 1 99 - 1 - HD3 LYS 19 - HD3 LYS 20 lone 1 99 - 1 - HD2 LYS 19 - HD3 LYS 20 lone 1 99 - 1 - HD3 LYS 19 - HD2 LYS 20 lone 1 99 - 1 - HD2 LYS 19 - HD2 LYS 20 lone 1 99 - 1 - HG LEU 68 - HD2 LYS 73 lone 1 94 - 1 - HG LEU 68 - HD3 LYS 73 lone 1 94 - 1 - HG LEU 68 - HD3 LYS 20 lone 1 93 - 1 - HG LEU 68 - HD2 LYS 20 lone 1 92 - 1 - HG3 LYS 19 - HD2 LYS 73 lone 1 100 - 1 - HG3 LYS 19 - HD3 LYS 73 lone 1 100 - 1 - HG LEU 68 - HD3 LYS 43 lone 1 94 - 1 - HG3 LYS 19 - HD3 LYS 43 lone 1 100 - 1 - HG LEU 68 - HD2 LYS 43 lone 1 87 - 1 - HG3 LYS 19 - HD2 LYS 43 lone 1 96 - 1 - HG LEU 68 - HD3 LYS 96 lone 0 87 - 1 - HG LEU 68 - HD2 LYS 96 lone 0 85 - 0 - HD3 LYS 19 - HD3 LYS 73 lone 0 100 - 0 - HD2 LYS 19 - HD3 LYS 73 lone 0 100 - 0 - HD3 LYS 19 - HD2 LYS 73 lone 0 100 - 0 - HD2 LYS 19 - HD2 LYS 73 lone 0 100 - 0 - HG LEU 82 - HG12 ILE 71 lone 0 82 - 0 - HG2 LYS 44 - HG12 ILE 71 lone 0 57 - 1 - HG LEU 82 - HD3 LYS 73 lone 0 100 - 0 - HG LEU 82 - HD2 LYS 73 lone 0 100 - 0 - HG LEU 82 - HD3 LYS 96 lone 0 96 - 0 - HD2 LYS 19 - HD3 LYS 43 lone 0 100 - 0 - HD3 LYS 19 - HD3 LYS 43 lone 0 100 - 0 - HG LEU 82 - HD2 LYS 96 lone 0 94 - 0 - HB3 LEU 127 - HD3 LYS 43 lone 0 73 - 0 - HG3 LYS 19 - HD3 LYS 96 lone 0 96 - 0 - HG12 ILE 116 - HD3 LYS 96 lone 0 77 - 0 - HG3 LYS 19 - HD2 LYS 96 lone 0 94 - 0 - HD3 LYS 19 - HD2 LYS 43 lone 0 95 - 0 - HD2 LYS 19 - HD2 LYS 43 lone 0 95 - 0 - HG12 ILE 116 - HD2 LYS 96 lone 0 74 - 0 - HG3 LYS 19 - HG12 ILE 71 lone 0 82 - 0 - HB3 LEU 127 - HD2 LYS 43 lone 0 66 - 0 - HG LEU 82 - HD3 LYS 20 lone 0 100 - 0 - HG LEU 82 - HD2 LYS 20 lone 0 99 - 0 - HD3 LYS 19 - HG12 ILE 71 lone 0 81 - 0 - HD2 LYS 19 - HG12 ILE 71 lone 0 81 - 0 - HB3 LEU 127 - HD2 LYS 73 lone 0 73 - 0 - HB3 LEU 127 - HD3 LYS 73 lone 0 73 - 0 - HD2 LYS 19 - HD3 LYS 96 lone 0 95 - 0 - HD3 LYS 19 - HD3 LYS 96 lone 0 95 - 0 - HG LEU 82 - HD3 LYS 43 lone 0 100 - 0 - HD2 LYS 19 - HD2 LYS 96 lone 0 93 - 0 - HD3 LYS 19 - HD2 LYS 96 lone 0 93 - 0 - HG LEU 82 - HD2 LYS 43 lone 0 96 - 0 - HG12 ILE 116 - HD2 LYS 73 lone 0 84 - 0 - HG12 ILE 116 - HD3 LYS 73 lone 0 84 - 0 - HG12 ILE 116 - HD3 LYS 43 lone 0 84 - 0 - HG12 ILE 116 - HD3 LYS 20 lone 0 83 - 0 - HB3 LEU 127 - HD3 LYS 20 lone 0 73 - 0 - HG12 ILE 116 - HD2 LYS 20 lone 0 82 - 0 - HB3 LEU 127 - HD2 LYS 20 lone 0 71 - 0 - HB3 LEU 127 - HD3 LYS 96 lone 0 66 - 0 - HG12 ILE 116 - HD2 LYS 43 lone 0 76 - 0 - HB3 LEU 127 - HD2 LYS 96 lone 0 64 - 0 - HG12 ILE 116 - HG12 ILE 71 lone 0 63 - 0 - HB3 LEU 127 - HG12 ILE 71 lone 0 54 - 0 - Peak 5178 from cnoeabs.peaks (1.48, 1.68, 28.78 ppm; 2.40 A): 4 out of 99 assignments used, quality = 1.00: HG3 LYS 73 + HD3 LYS 73 OK 77 100 - 77 - 3.0=53, 5170/1.8=8...(19) * HG3 LYS 73 + HD2 LYS 73 OK 77 100 - 77 - 3.0=53, 5170/1.8=8...(19) HG3 LYS 20 + HD3 LYS 20 OK 74 100 - 75 - 3.0=54, 3078/1.8=7...(15) HG3 LYS 20 + HD2 LYS 20 OK 74 99 - 75 - 3.0=54, 3078/1.8=7...(15) HG3 LYS 20 - HD3 LYS 43 OK 22 100 - 22 - 3079=3, 1.8/3069=2...(8) HG3 LYS 20 - HD2 LYS 73 OK 22 100 - 22 - 3079=3, 3079/1.8=2...(4) HG3 LYS 20 - HD3 LYS 73 OK 22 100 - 22 - 3079=3, 3078/1.8=2...(4) HG3 LYS 20 - HD2 LYS 43 OK 21 95 - 22 - 3079=3, 1.8/3069=2...(8) HG3 LYS 73 - HD3 LYS 20 OK 20 100 - 20 - 5170=3, 5170/1.8=2, 1.8/5177=2 HG3 LYS 73 - HD2 LYS 20 OK 20 99 - 20 - 5170=3, 5170/1.8=2, 1.8/5177=2 HG3 LYS 73 - HD3 LYS 43 OK 19 100 - 19 - 5170=3, 5170/1.8=2...(5) HG3 LYS 73 - HD2 LYS 43 OK 19 96 - 20 - 5170=3, 5170/1.8=2...(5) HG3 LYS 73 - HD3 LYS 96 lone 9 96 - 9 - 5170=1 HG3 LYS 73 - HD2 LYS 96 lone 9 94 - 9 - 5170=1 HG3 LYS 20 - HD3 LYS 96 lone 7 96 - 7 - 3079=1 HG3 LYS 20 - HD2 LYS 96 lone 7 93 - 7 - 3079=1 HB3 LEU 45 - HD2 LYS 73 lone 3 96 - 3 - HB3 LEU 45 - HD3 LYS 73 lone 3 95 - 3 - HB2 LEU 74 - HG12 ILE 71 lone 3 65 - 5 - 9789/3.2=3 HB3 LEU 45 - HD3 LYS 20 lone 3 95 - 3 - HB3 LEU 45 - HD2 LYS 20 lone 3 94 - 3 - HG3 LYS 73 - HG12 ILE 71 lone 2 83 - 3 - HB3 LEU 45 - HD3 LYS 96 lone 2 89 - 2 - HG2 ARG 30 - HG12 ILE 71 lone 2 44 - 4 - HB3 LEU 45 - HD2 LYS 96 lone 2 87 - 2 - HB2 LEU 74 - HD2 LYS 73 lone 2 87 - 2 - HB2 LEU 74 - HD3 LYS 73 lone 2 87 - 2 - HB3 LEU 45 - HD3 LYS 43 lone 1 95 - 1 - HB3 LEU 45 - HD2 LYS 43 lone 1 89 - 1 - HG3 ARG 118 - HD2 LYS 20 lone 1 98 - 1 - HG3 ARG 118 - HD3 LYS 20 lone 1 98 - 1 - HB3 LEU 45 - HG12 ILE 71 lone 1 75 - 1 - HB3 LEU 38 - HD3 LYS 20 lone 1 69 - 1 - HB3 LEU 38 - HD2 LYS 20 lone 0 68 - 1 - HB2 LEU 74 - HD3 LYS 20 lone 0 86 - 1 - HB2 LEU 74 - HD2 LYS 20 lone 0 85 - 1 - HG3 LYS 20 - HG12 ILE 71 lone 0 82 - 1 - HB3 LEU 38 - HD3 LYS 96 lone 0 63 - 1 - HB3 LEU 38 - HD2 LYS 96 lone 0 60 - 1 - HG12 ILE 57 - HD3 LYS 20 lone 0 65 - 1 - HG12 ILE 57 - HD2 LYS 20 lone 0 64 - 1 - HG3 ARG 118 - HD2 LYS 73 lone 0 99 - 0 - HG3 ARG 118 - HD3 LYS 73 lone 0 99 - 0 - HB2 LEU 74 - HD3 LYS 43 lone 0 87 - 0 - HG2 LYS 106 - HD3 LYS 20 lone 0 65 - 0 - HG2 LYS 106 - HD2 LYS 20 lone 0 64 - 0 - HB3 LEU 38 - HD3 LYS 43 lone 0 69 - 0 - HB2 LEU 74 - HD2 LYS 43 lone 0 79 - 0 - HB3 LEU 38 - HD2 LYS 73 lone 0 70 - 0 - HB3 LEU 38 - HD3 LYS 73 lone 0 69 - 0 - HD2 LYS 53 - HG12 ILE 71 lone 0 82 - 0 - HB3 LEU 38 - HD2 LYS 43 lone 0 62 - 0 - HG3 ARG 118 - HD3 LYS 43 lone 0 99 - 0 - HB3 LEU 38 - HG12 ILE 71 lone 0 50 - 0 - HG12 ILE 7 - HD3 LYS 20 lone 0 61 - 0 - HD2 LYS 53 - HD3 LYS 20 lone 0 100 - 0 - HD2 LYS 53 - HD2 LYS 20 lone 0 99 - 0 - HD2 LYS 53 - HD2 LYS 73 lone 0 100 - 0 - HD2 LYS 53 - HD3 LYS 73 lone 0 100 - 0 - HG12 ILE 7 - HD2 LYS 20 lone 0 60 - 0 - HG3 ARG 118 - HD2 LYS 43 lone 0 93 - 0 - HG3 ARG 118 - HG12 ILE 71 lone 0 80 - 0 - HG2 LYS 106 - HG12 ILE 71 lone 0 47 - 0 - HB2 LEU 74 - HD3 LYS 96 lone 0 80 - 0 - HB2 LEU 74 - HD2 LYS 96 lone 0 77 - 0 - HG12 ILE 7 - HD3 LYS 43 lone 0 61 - 0 - HD2 LYS 53 - HD3 LYS 43 lone 0 100 - 0 - HG12 ILE 7 - HD2 LYS 43 lone 0 55 - 0 - HG12 ILE 7 - HD3 LYS 73 lone 0 61 - 0 - HG12 ILE 7 - HD2 LYS 73 lone 0 61 - 0 - HD2 LYS 53 - HD2 LYS 43 lone 0 95 - 0 - HG12 ILE 57 - HD2 LYS 73 lone 0 65 - 0 - HG12 ILE 57 - HD3 LYS 73 lone 0 65 - 0 - HG3 ARG 118 - HD3 LYS 96 lone 0 94 - 0 - HG3 ARG 118 - HD2 LYS 96 lone 0 91 - 0 - HG2 ARG 30 - HD3 LYS 96 lone 0 55 - 0 - HD2 LYS 53 - HD3 LYS 96 lone 0 96 - 0 - HD2 LYS 53 - HD2 LYS 96 lone 0 93 - 0 - HG2 ARG 30 - HD2 LYS 96 lone 0 53 - 0 - HG12 ILE 7 - HD3 LYS 96 lone 0 55 - 0 - HG2 LYS 106 - HD3 LYS 96 lone 0 59 - 0 - HG12 ILE 7 - HD2 LYS 96 lone 0 53 - 0 - HG12 ILE 57 - HD3 LYS 43 lone 0 65 - 0 - HG2 LYS 106 - HD2 LYS 96 lone 0 57 - 0 - HG2 LYS 106 - HD2 LYS 73 lone 0 65 - 0 - HG2 LYS 106 - HD3 LYS 73 lone 0 65 - 0 - HG2 ARG 30 - HD2 LYS 73 lone 0 61 - 0 - HG2 ARG 30 - HD3 LYS 73 lone 0 61 - 0 - HG2 ARG 30 - HD3 LYS 20 lone 0 61 - 0 - HG2 LYS 106 - HD3 LYS 43 lone 0 65 - 0 - HG2 ARG 30 - HD2 LYS 20 lone 0 60 - 0 - HG2 ARG 30 - HD3 LYS 43 lone 0 61 - 0 - HG12 ILE 57 - HD2 LYS 43 lone 0 58 - 0 - HG2 LYS 106 - HD2 LYS 43 lone 0 58 - 0 - HG2 ARG 30 - HD2 LYS 43 lone 0 55 - 0 - HG12 ILE 57 - HD3 LYS 96 lone 0 59 - 0 - HG12 ILE 57 - HD2 LYS 96 lone 0 57 - 0 - HG12 ILE 57 - HG12 ILE 71 lone 0 47 - 0 - HG12 ILE 7 - HG12 ILE 71 lone 0 44 - 0 - Peak 5179 from cnoeabs.peaks (1.68, 1.68, 28.78 ppm; diagonal): 9 out of 9 assignments used, quality = 1.00: * HD2 LYS 73 + HD2 LYS 73 OK 100 100 - 100 HD3 LYS 43 + HD3 LYS 43 OK 100 100 - 100 HD3 LYS 73 + HD3 LYS 73 OK 100 100 - 100 HD3 LYS 20 + HD3 LYS 20 OK 100 100 - 100 HD2 LYS 20 + HD2 LYS 20 OK 99 99 - 100 HD3 LYS 96 + HD3 LYS 96 OK 96 96 - 100 HD2 LYS 96 + HD2 LYS 96 OK 92 92 - 100 HD2 LYS 43 + HD2 LYS 43 OK 92 92 - 100 HG12 ILE 71 + HG12 ILE 71 OK 73 73 - 100 Peak 5180 from cnoeabs.peaks (1.68, 1.68, 28.78 ppm; diagonal): 9 out of 9 assignments used, quality = 1.00: HD2 LYS 73 + HD2 LYS 73 OK 100 100 - 100 HD3 LYS 43 + HD3 LYS 43 OK 100 100 - 100 HD3 LYS 73 + HD3 LYS 73 OK 100 100 - 100 HD3 LYS 20 + HD3 LYS 20 OK 99 99 - 100 HD2 LYS 20 + HD2 LYS 20 OK 98 98 - 100 HD3 LYS 96 + HD3 LYS 96 OK 96 96 - 100 HD2 LYS 43 + HD2 LYS 43 OK 93 93 - 100 HD2 LYS 96 + HD2 LYS 96 OK 93 93 - 100 HG12 ILE 71 + HG12 ILE 71 OK 71 71 - 100 Reference assignment not found: HD3 LYS 73 - HD2 LYS 73 Peak 5181 from cnoeabs.peaks (2.98, 1.68, 28.78 ppm; 2.56 A): 12 out of 126 assignments used, quality = 1.00: * HE2 LYS 73 + HD2 LYS 73 OK 81 100 - 81 - 2.9=68, 5197/3.0=5...(17) HE2 LYS 73 + HD3 LYS 73 OK 81 100 - 81 - 2.9=68, 5197/3.0=5...(17) HE3 LYS 73 + HD2 LYS 73 OK 79 99 - 80 - 2.9=68, 5197/3.0=4...(17) HE3 LYS 73 + HD3 LYS 73 OK 79 99 - 80 - 2.9=68, 5197/3.0=4...(17) HE2 LYS 43 + HD3 LYS 43 OK 77 100 - 77 - 3.0=64, 3.9/3846=4...(18) HE2 LYS 43 + HD2 LYS 43 OK 74 95 - 78 - 3.0=64, 3.9/3846=4...(18) HE3 LYS 43 + HD3 LYS 43 OK 74 97 - 76 - 3.0=64, 3.9/3846=4...(15) HE3 LYS 43 + HD2 LYS 43 OK 69 90 - 76 - 3.0=64, 3.9/3846=4...(15) HE3 LYS 20 + HD3 LYS 20 OK 51 65 - 78 - 3.0=64, 3.9/3079=3...(17) HE2 LYS 20 + HD3 LYS 20 OK 51 65 - 78 - 3.0=64, 3.9/3079=3...(17) HE2 LYS 20 + HD2 LYS 20 OK 50 64 - 78 - 3.0=64, 3.9/3079=3...(17) HE3 LYS 20 + HD2 LYS 20 OK 50 64 - 78 - 3.0=64, 3.9/3079=3...(17) HE2 LYS 43 - HD3 LYS 20 OK 21 100 - 21 - 5198/3.0=1, 3884/3.0=1 HE2 LYS 43 - HD2 LYS 20 OK 21 99 - 21 - 5198/3.0=1, 3884/3.0=1 HE2 LYS 73 - HD3 LYS 20 OK 20 100 - 20 - 5198/3.0=1, 3884/3.0=1 HE2 LYS 73 - HD2 LYS 20 OK 20 99 - 20 - 5198/3.0=1, 3884/3.0=1 HE3 LYS 43 - HD3 LYS 20 OK 18 96 - 19 - 5198/3.0=1, 3884/3.0=1 HE3 LYS 43 - HD2 LYS 20 OK 18 96 - 19 - 5198/3.0=1, 3884/3.0=1 HE3 LYS 73 - HD3 LYS 20 OK 18 98 - 18 - 5198/3.0=1 HE3 LYS 73 - HD2 LYS 20 OK 18 98 - 18 - 5198/3.0=1 HE2 LYS 43 - HD3 LYS 73 OK 16 100 - 16 - 5197/3.0=2, 5171/3.0=1 HE2 LYS 43 - HD2 LYS 73 OK 16 100 - 16 - 5197/3.0=2, 5171/3.0=1 HE3 LYS 43 - HD2 LYS 73 OK 14 97 - 15 - 5197/3.0=1, 5171/3.0=1 HE3 LYS 43 - HD3 LYS 73 OK 14 97 - 15 - 5197/3.0=1, 5171/3.0=1 HE2 LYS 73 - HD3 LYS 43 OK 13 100 - 13 - 3848/2.9=1 HE2 LYS 73 - HD2 LYS 43 OK 13 96 - 13 - 3848/2.9=1 HE3 LYS 73 - HD3 LYS 43 OK 12 99 - 12 - 3848/2.9=1 HE3 LYS 73 - HD2 LYS 43 OK 11 93 - 12 - 3848/2.9=1 HE2 LYS 40 - HD3 LYS 20 poor 8 80 - 11 - HE2 LYS 40 - HD2 LYS 20 poor 8 79 - 11 - HE3 LYS 40 - HD3 LYS 20 poor 8 73 - 11 - HE3 LYS 20 - HD2 LYS 73 poor 8 65 - 12 - HE2 LYS 20 - HD2 LYS 73 poor 8 65 - 12 - HE3 LYS 20 - HD3 LYS 73 poor 8 65 - 12 - HE2 LYS 20 - HD3 LYS 73 poor 8 65 - 12 - HE3 LYS 40 - HD2 LYS 20 poor 8 71 - 11 - HE2 LYS 20 - HD3 LYS 43 poor 8 65 - 12 - 3.9/3069=1 HE3 LYS 20 - HD3 LYS 43 poor 8 65 - 12 - 3.9/3069=1 HE2 LYS 40 - HD3 LYS 43 lone 7 80 - 9 - HE2 LYS 73 - HD3 LYS 96 lone 7 96 - 8 - HE2 LYS 73 - HD2 LYS 96 lone 7 94 - 8 - HE3 LYS 40 - HD3 LYS 43 lone 7 73 - 9 - HE2 LYS 40 - HD2 LYS 43 lone 7 73 - 9 - HE3 LYS 20 - HD2 LYS 43 poor 7 58 - 12 - 3.9/3069=1 HE2 LYS 20 - HD2 LYS 43 poor 7 58 - 12 - 3.9/3069=1 HE3 LYS 73 - HD3 LYS 96 lone 7 94 - 7 - HE3 LYS 73 - HD2 LYS 96 lone 7 91 - 7 - HE2 LYS 43 - HD3 LYS 96 lone 6 96 - 6 - HE3 LYS 40 - HD2 LYS 43 lone 6 66 - 9 - HE2 LYS 43 - HD2 LYS 96 lone 6 93 - 6 - HE3 LYS 43 - HD3 LYS 96 lone 6 91 - 6 - HE3 LYS 43 - HD2 LYS 96 lone 5 88 - 6 - HE2 LYS 40 - HD2 LYS 73 lone 4 81 - 5 - HE2 LYS 40 - HD3 LYS 73 lone 4 80 - 5 - HE3 LYS 20 - HD3 LYS 96 lone 4 59 - 6 - HE2 LYS 20 - HD3 LYS 96 lone 4 59 - 6 - HE3 LYS 40 - HD2 LYS 73 lone 4 73 - 5 - HE3 LYS 40 - HD3 LYS 73 lone 4 73 - 5 - HE3 LYS 20 - HD2 LYS 96 lone 4 57 - 6 - HE2 LYS 20 - HD2 LYS 96 lone 4 57 - 6 - HE3 LYS 39 - HD2 LYS 73 lone 3 100 - 3 - HE3 LYS 39 - HD3 LYS 73 lone 3 100 - 3 - HE2 LYS 39 - HD2 LYS 73 lone 3 100 - 3 - HE2 LYS 39 - HD3 LYS 73 lone 3 100 - 3 - HE2 LYS 40 - HD3 LYS 96 lone 3 73 - 4 - HE3 LYS 39 - HD3 LYS 96 lone 3 96 - 3 - HE2 LYS 40 - HD2 LYS 96 lone 3 71 - 4 - HE2 LYS 39 - HD3 LYS 96 lone 3 95 - 3 - HE3 LYS 39 - HD2 LYS 96 lone 3 94 - 3 - HE2 LYS 39 - HD2 LYS 96 lone 3 93 - 3 - HE3 LYS 39 - HD3 LYS 43 lone 3 100 - 3 - HE3 LYS 40 - HD3 LYS 96 lone 3 66 - 4 - HE2 LYS 39 - HD3 LYS 43 lone 3 100 - 3 - HE3 LYS 40 - HD2 LYS 96 lone 3 64 - 4 - HE3 LYS 39 - HD3 LYS 20 lone 3 100 - 2 - HE3 LYS 39 - HD2 LYS 43 lone 3 96 - 3 - HE3 LYS 39 - HD2 LYS 20 lone 3 99 - 2 - HE2 LYS 39 - HD3 LYS 20 lone 3 99 - 2 - HE2 LYS 39 - HD2 LYS 43 lone 3 95 - 3 - HE2 LYS 39 - HD2 LYS 20 lone 3 99 - 2 - HD3 ARG 118 - HD3 LYS 20 lone 1 89 - 1 - HD3 ARG 118 - HD2 LYS 20 lone 1 88 - 1 - HE2 LYS 73 - HG12 ILE 71 lone 1 83 - 1 - HE3 LYS 73 - HG12 ILE 71 lone 1 80 - 1 - HD3 ARG 118 - HD2 LYS 73 lone 0 90 - 0 - HD3 ARG 118 - HD3 LYS 73 lone 0 89 - 0 - HE2 LYS 43 - HG12 ILE 71 lone 0 82 - 0 - HD3 ARG 118 - HD3 LYS 43 lone 0 89 - 0 - HE3 LYS 43 - HG12 ILE 71 lone 0 77 - 0 - HE3 LYS 39 - HG12 ILE 71 lone 0 82 - 0 - HB2 ASN 24 - HD2 LYS 73 lone 0 77 - 0 - HB3 ASN 24 - HD2 LYS 73 lone 0 77 - 0 - HB2 ASN 24 - HD3 LYS 73 lone 0 77 - 0 - HB3 ASN 24 - HD3 LYS 73 lone 0 77 - 0 - HE2 LYS 39 - HG12 ILE 71 lone 0 81 - 0 - HB3 ASN 24 - HD3 LYS 20 lone 0 76 - 0 - HB2 ASN 24 - HD3 LYS 20 lone 0 76 - 0 - HD3 ARG 118 - HD2 LYS 43 lone 0 82 - 0 - HB3 ASN 24 - HD2 LYS 20 lone 0 75 - 0 - HB2 ASN 24 - HD2 LYS 20 lone 0 75 - 0 - HB3 ASN 24 - HD3 LYS 43 lone 0 77 - 0 - HB2 ASN 24 - HD3 LYS 43 lone 0 77 - 0 - HB2 ASN 24 - HD2 LYS 43 lone 0 70 - 0 - HB3 ASN 24 - HD2 LYS 43 lone 0 70 - 0 - HD3 ARG 118 - HD3 LYS 96 lone 0 82 - 0 - HB3 PHE 51 - HD2 LYS 73 lone 0 77 - 0 - HB3 PHE 51 - HD3 LYS 73 lone 0 77 - 0 - HD3 ARG 118 - HD2 LYS 96 lone 0 80 - 0 - HB3 PHE 51 - HD3 LYS 43 lone 0 77 - 0 - HB3 PHE 51 - HD3 LYS 20 lone 0 76 - 0 - HB3 PHE 51 - HD2 LYS 20 lone 0 75 - 0 - HB3 PHE 51 - HD2 LYS 43 lone 0 70 - 0 - HE3 LYS 20 - HG12 ILE 71 lone 0 47 - 0 - HE2 LYS 20 - HG12 ILE 71 lone 0 47 - 0 - HE2 LYS 40 - HG12 ILE 71 lone 0 60 - 0 - HB3 ASN 24 - HD3 LYS 96 lone 0 70 - 0 - HB2 ASN 24 - HD3 LYS 96 lone 0 70 - 0 - HD3 ARG 118 - HG12 ILE 71 lone 0 68 - 0 - HB3 ASN 24 - HD2 LYS 96 lone 0 68 - 0 - HB2 ASN 24 - HD2 LYS 96 lone 0 68 - 0 - HB3 PHE 51 - HD3 LYS 96 lone 0 70 - 0 - HE3 LYS 40 - HG12 ILE 71 lone 0 54 - 0 - HB3 PHE 51 - HD2 LYS 96 lone 0 68 - 0 - HB3 ASN 24 - HG12 ILE 71 lone 0 57 - 0 - HB2 ASN 24 - HG12 ILE 71 lone 0 57 - 0 - HB3 PHE 51 - HG12 ILE 71 lone 0 57 - 0 - Peak 5182 from cnoeabs.peaks (2.98, 1.68, 28.78 ppm; 2.54 A): 12 out of 126 assignments used, quality = 1.00: HE2 LYS 73 + HD2 LYS 73 OK 79 99 - 79 - 2.9=66, 5197/3.0=5...(17) HE2 LYS 73 + HD3 LYS 73 OK 78 99 - 79 - 2.9=66, 5197/3.0=5...(17) * HE3 LYS 73 + HD2 LYS 73 OK 78 100 - 78 - 2.9=66, 5197/3.0=4...(17) HE3 LYS 73 + HD3 LYS 73 OK 78 100 - 78 - 2.9=66, 5197/3.0=4...(17) HE2 LYS 43 + HD3 LYS 43 OK 76 100 - 76 - 3.0=62, 3.9/3846=3...(16) HE3 LYS 43 + HD3 LYS 43 OK 75 100 - 75 - 3.0=62, 3.9/3846=3...(14) HE2 LYS 43 + HD2 LYS 43 OK 72 95 - 76 - 3.0=62, 3.9/3846=4...(16) HE3 LYS 43 + HD2 LYS 43 OK 71 95 - 75 - 3.0=62, 3.9/3846=4...(14) HE3 LYS 20 + HD3 LYS 20 OK 64 83 - 77 - 3.0=62, 3.9/3079=3...(17) HE2 LYS 20 + HD3 LYS 20 OK 64 83 - 77 - 3.0=62, 3.9/3079=3...(17) HE2 LYS 20 + HD2 LYS 20 OK 63 82 - 77 - 3.0=62, 3.9/3079=3...(17) HE3 LYS 20 + HD2 LYS 20 OK 63 82 - 77 - 3.0=62, 3.9/3079=3...(17) HE2 LYS 43 - HD3 LYS 20 OK 20 99 - 21 - 5198/3.0=1, 3884/3.0=1 HE2 LYS 43 - HD2 LYS 20 OK 20 99 - 21 - 5198/3.0=1, 3884/3.0=1 HE2 LYS 73 - HD3 LYS 20 OK 19 98 - 20 - 5198/3.0=1 HE2 LYS 73 - HD2 LYS 20 OK 19 98 - 20 - 5198/3.0=1 HE3 LYS 43 - HD3 LYS 20 OK 19 100 - 19 - 5198/3.0=1, 3884/3.0=1 HE3 LYS 43 - HD2 LYS 20 OK 18 99 - 19 - 5198/3.0=1, 3884/3.0=1 HE3 LYS 73 - HD3 LYS 20 OK 18 100 - 18 - 5198/3.0=1 HE3 LYS 73 - HD2 LYS 20 OK 18 99 - 18 - 5198/3.0=1 HE2 LYS 43 - HD3 LYS 73 OK 15 100 - 15 - 5197/3.0=2, 5171/3.0=1 HE2 LYS 43 - HD2 LYS 73 OK 15 100 - 15 - 5197/3.0=2, 5171/3.0=1 HE3 LYS 43 - HD3 LYS 73 OK 14 100 - 15 - 5197/3.0=1, 5171/3.0=1 HE3 LYS 43 - HD2 LYS 73 OK 14 100 - 15 - 5197/3.0=1, 5171/3.0=1 HE2 LYS 73 - HD3 LYS 43 OK 12 99 - 13 - 3848/2.9=1 HE2 LYS 73 - HD2 LYS 43 OK 12 93 - 13 - 3848/2.9=1 HE3 LYS 73 - HD3 LYS 43 OK 12 100 - 12 - 3848/2.9=1 HE3 LYS 73 - HD2 LYS 43 OK 11 96 - 12 - 3848/2.9=1 HE2 LYS 40 - HD3 LYS 20 OK 10 93 - 11 - HE2 LYS 40 - HD2 LYS 20 poor 10 92 - 11 - HE3 LYS 20 - HD2 LYS 73 poor 10 84 - 12 - HE2 LYS 20 - HD2 LYS 73 poor 10 84 - 12 - HE2 LYS 20 - HD3 LYS 73 poor 10 84 - 12 - HE3 LYS 20 - HD3 LYS 73 poor 10 84 - 12 - HE3 LYS 40 - HD3 LYS 20 poor 10 89 - 11 - HE3 LYS 20 - HD3 LYS 43 poor 10 84 - 12 - 3.9/3069=1 HE2 LYS 20 - HD3 LYS 43 poor 10 84 - 12 - 3.9/3069=1 HE3 LYS 40 - HD2 LYS 20 poor 10 88 - 11 - HE2 LYS 20 - HD2 LYS 43 poor 9 76 - 12 - HE3 LYS 20 - HD2 LYS 43 poor 9 76 - 12 - HE2 LYS 40 - HD3 LYS 43 lone 9 94 - 9 - HE3 LYS 40 - HD3 LYS 43 lone 8 89 - 9 - HE2 LYS 40 - HD2 LYS 43 lone 8 87 - 9 - HE3 LYS 40 - HD2 LYS 43 lone 8 82 - 9 - HE2 LYS 73 - HD3 LYS 96 lone 7 94 - 7 - HE2 LYS 73 - HD2 LYS 96 lone 7 91 - 7 - HE3 LYS 73 - HD3 LYS 96 lone 7 96 - 7 - HE3 LYS 73 - HD2 LYS 96 lone 7 94 - 7 - HE2 LYS 43 - HD3 LYS 96 lone 6 95 - 6 - HE2 LYS 43 - HD2 LYS 96 lone 6 93 - 6 - HE3 LYS 43 - HD3 LYS 96 lone 6 96 - 6 - HE3 LYS 43 - HD2 LYS 96 lone 6 93 - 6 - HE3 LYS 20 - HD3 LYS 96 lone 5 77 - 7 - HE2 LYS 20 - HD3 LYS 96 lone 5 77 - 7 - HE3 LYS 20 - HD2 LYS 96 lone 5 74 - 7 - HE2 LYS 20 - HD2 LYS 96 lone 5 74 - 7 - HE2 LYS 40 - HD2 LYS 73 lone 5 94 - 5 - HE2 LYS 40 - HD3 LYS 73 lone 5 94 - 5 - HE3 LYS 40 - HD2 LYS 73 lone 5 90 - 5 - HE3 LYS 40 - HD3 LYS 73 lone 5 89 - 5 - HE2 LYS 40 - HD3 LYS 96 lone 4 87 - 4 - HE2 LYS 40 - HD2 LYS 96 lone 4 85 - 4 - HE3 LYS 40 - HD3 LYS 96 lone 4 82 - 4 - HE3 LYS 40 - HD2 LYS 96 lone 3 80 - 4 - HE2 LYS 39 - HD2 LYS 73 lone 3 100 - 3 - HE2 LYS 39 - HD3 LYS 73 lone 3 100 - 3 - HE3 LYS 39 - HD2 LYS 73 lone 3 99 - 3 - HE3 LYS 39 - HD3 LYS 73 lone 3 99 - 3 - HE2 LYS 39 - HD3 LYS 96 lone 3 96 - 3 - HE3 LYS 39 - HD3 LYS 96 lone 3 94 - 3 - HE2 LYS 39 - HD2 LYS 96 lone 3 93 - 3 - HE3 LYS 39 - HD2 LYS 96 lone 3 92 - 3 - HE3 LYS 39 - HD3 LYS 43 lone 3 99 - 3 - HE2 LYS 39 - HD3 LYS 43 lone 3 100 - 2 - HE3 LYS 39 - HD3 LYS 20 lone 2 99 - 2 - HE2 LYS 39 - HD3 LYS 20 lone 2 100 - 2 - HE3 LYS 39 - HD2 LYS 20 lone 2 98 - 2 - HE2 LYS 39 - HD2 LYS 43 lone 2 95 - 2 - HE3 LYS 39 - HD2 LYS 43 lone 2 94 - 2 - HE2 LYS 39 - HD2 LYS 20 lone 2 99 - 2 - HD3 ARG 118 - HD3 LYS 20 lone 2 98 - 2 - HD3 ARG 118 - HD2 LYS 20 lone 2 97 - 2 - HE3 LYS 73 - HG12 ILE 71 lone 1 83 - 1 - HE2 LYS 73 - HG12 ILE 71 lone 1 80 - 1 - HD3 ARG 118 - HD2 LYS 73 lone 0 98 - 0 - HD3 ARG 118 - HD3 LYS 73 lone 0 98 - 0 - HB2 ASN 24 - HD3 LYS 20 lone 0 91 - 0 - HB3 ASN 24 - HD3 LYS 20 lone 0 91 - 0 - HB2 ASN 24 - HD2 LYS 20 lone 0 90 - 0 - HB3 ASN 24 - HD2 LYS 20 lone 0 90 - 0 - HB2 ASN 24 - HD2 LYS 73 lone 0 92 - 0 - HB3 ASN 24 - HD2 LYS 73 lone 0 92 - 0 - HB2 ASN 24 - HD3 LYS 73 lone 0 92 - 0 - HB3 ASN 24 - HD3 LYS 73 lone 0 92 - 0 - HD3 ARG 118 - HD3 LYS 43 lone 0 98 - 0 - HB2 ASN 24 - HD3 LYS 43 lone 0 92 - 0 - HB3 ASN 24 - HD3 LYS 43 lone 0 92 - 0 - HD3 ARG 118 - HD2 LYS 43 lone 0 92 - 0 - HE2 LYS 43 - HG12 ILE 71 lone 0 81 - 0 - HE3 LYS 43 - HG12 ILE 71 lone 0 82 - 0 - HB3 ASN 24 - HD2 LYS 43 lone 0 84 - 0 - HB2 ASN 24 - HD2 LYS 43 lone 0 84 - 0 - HE2 LYS 39 - HG12 ILE 71 lone 0 82 - 0 - HE3 LYS 39 - HG12 ILE 71 lone 0 81 - 0 - HB3 PHE 51 - HD2 LYS 73 lone 0 92 - 0 - HB3 PHE 51 - HD3 LYS 73 lone 0 92 - 0 - HB3 PHE 51 - HD3 LYS 43 lone 0 92 - 0 - HE3 LYS 20 - HG12 ILE 71 lone 0 63 - 0 - HE2 LYS 20 - HG12 ILE 71 lone 0 63 - 0 - HB3 PHE 51 - HD3 LYS 20 lone 0 91 - 0 - HD3 ARG 118 - HD3 LYS 96 lone 0 92 - 0 - HB3 PHE 51 - HD2 LYS 20 lone 0 90 - 0 - HD3 ARG 118 - HD2 LYS 96 lone 0 90 - 0 - HB3 PHE 51 - HD2 LYS 43 lone 0 84 - 0 - HE2 LYS 40 - HG12 ILE 71 lone 0 73 - 0 - HB2 ASN 24 - HD3 LYS 96 lone 0 85 - 0 - HB3 ASN 24 - HD3 LYS 96 lone 0 85 - 0 - HD3 ARG 118 - HG12 ILE 71 lone 0 78 - 0 - HB3 ASN 24 - HD2 LYS 96 lone 0 82 - 0 - HB2 ASN 24 - HD2 LYS 96 lone 0 82 - 0 - HE3 LYS 40 - HG12 ILE 71 lone 0 68 - 0 - HB3 PHE 51 - HD3 LYS 96 lone 0 85 - 0 - HB3 PHE 51 - HD2 LYS 96 lone 0 82 - 0 - HB3 ASN 24 - HG12 ILE 71 lone 0 71 - 0 - HB2 ASN 24 - HG12 ILE 71 lone 0 71 - 0 - HB3 PHE 51 - HG12 ILE 71 lone 0 71 - 0 - Peak 5183 from cnoeabs.peaks (7.72, 1.68, 28.78 ppm; 4.24 A): 4 out of 27 assignments used, quality = 0.99: * H LYS 73 + HD3 LYS 73 OK 82 100 - 82 - 6.4=28, 1480/3.0=28...(18) H LYS 73 + HD2 LYS 73 OK 82 100 - 82 - 6.4=28, 1480/3.0=28...(18) H LEU 70 + HD3 LYS 73 OK 53 98 - 54 - ~11081=14, 5163/3.0=11...(11) H LEU 70 + HD2 LYS 73 OK 53 98 - 54 - ~11081=14, 5163/3.0=11...(11) H LYS 73 - HG12 ILE 71 OK 36 78 - 46 - 2124/3.9=17, 2125/4.6=12...(9) H LYS 73 - HD3 LYS 20 OK 32 99 - 32 - 1481/3.0=5, 1483=4...(15) H LYS 73 - HD2 LYS 20 OK 31 99 - 32 - 1481/3.0=5, 1483=4...(15) H LEU 70 - HG12 ILE 71 OK 26 74 - 36 - 1913/4.6=17, 9795/3.2=6...(8) H LYS 73 - HD3 LYS 43 OK 23 100 - 23 - 3.0/5184=3, 1483=3...(12) H LYS 73 - HD2 LYS 43 OK 22 97 - 23 - 3.0/5184=3, 1483=3...(12) H LYS 73 - HD3 LYS 96 OK 13 97 - 13 - 1483=2, 2127/5.3=1...(4) H LYS 73 - HD2 LYS 96 OK 12 95 - 13 - 1483=2, 2127/5.3=1...(4) H GLU 47 - HG12 ILE 71 poor 7 67 - 11 - 9795/3.2=4, 434/4.6=3...(4) H GLU 47 - HD2 LYS 73 lone 6 92 - 6 - 5163/3.0=1, 5153/3.0=1 H GLU 47 - HD3 LYS 73 lone 6 92 - 6 - 5163/3.0=1, 5153/3.0=1 H LEU 70 - HD3 LYS 20 lone 6 97 - 6 - 3.0/11077=1 H LEU 70 - HD2 LYS 20 lone 6 96 - 6 - 3.0/11077=1 H LEU 70 - HD3 LYS 96 lone 6 93 - 6 - 1461/3.0=1 H LEU 70 - HD2 LYS 96 lone 5 91 - 6 - 1461/3.0=1 H LEU 70 - HD3 LYS 43 lone 3 98 - 4 - H GLU 47 - HD3 LYS 96 lone 3 86 - 4 - H GLU 47 - HD3 LYS 43 lone 3 92 - 4 - 9462/3.8=1, 9462/3.8=1 H LEU 70 - HD2 LYS 43 lone 3 94 - 3 - H GLU 47 - HD2 LYS 96 lone 3 84 - 4 - H GLU 47 - HD2 LYS 43 lone 3 87 - 3 - 9462/3.8=1, 9462/3.8=1 H GLU 47 - HD3 LYS 20 lone 2 90 - 2 - H GLU 47 - HD2 LYS 20 lone 2 89 - 2 - Peak 5184 from cnoeabs.peaks (4.29, 1.68, 28.78 ppm; 3.59 A): 2 out of 36 assignments used, quality = 0.96: * HA LYS 73 + HD3 LYS 73 OK 80 100 - 80 - 5.5=28, 5128/3.0=16...(26) HA LYS 73 + HD2 LYS 73 OK 80 100 - 80 - 5.5=28, 5128/3.0=16...(26) HA LYS 73 - HD3 LYS 20 OK 29 99 - 30 - 5128/3.0=4, 5130=3...(9) HA LYS 73 - HD2 LYS 20 OK 29 99 - 30 - 5128/3.0=4, 5130=3...(9) HA LYS 73 - HD3 LYS 43 OK 24 100 - 24 - 5130=3, 5130/1.8=2...(7) HA LYS 73 - HD2 LYS 43 OK 24 97 - 25 - 5130=3, 5130/1.8=2...(7) HA LYS 73 - HG12 ILE 71 OK 11 78 - 15 - ~9814=3, ~9795=3...(7) HA LYS 73 - HD3 LYS 96 OK 11 97 - 11 - 5130=1, 5130/1.8=1 HA LYS 73 - HD2 LYS 96 OK 11 95 - 12 - 5130=1, 5130/1.8=1 HA GLN 100 - HD3 LYS 96 lone 2 56 - 3 - HA GLN 100 - HD2 LYS 96 lone 2 54 - 3 - HA LEU 127 - HD3 LYS 73 lone 1 94 - 1 - HA LEU 127 - HD2 LYS 73 lone 1 94 - 1 - HA GLN 100 - HG12 ILE 71 lone 1 41 - 2 - HA GLN 100 - HD3 LYS 73 lone 1 61 - 1 - HA GLN 100 - HD2 LYS 73 lone 1 61 - 1 - HA LEU 127 - HD3 LYS 43 lone 1 94 - 1 - HA ASP 12 - HG12 ILE 71 lone 1 44 - 1 - HA ASP 12 - HD3 LYS 43 lone 1 65 - 1 - HA LEU 127 - HD2 LYS 43 lone 1 89 - 1 - HA ASP 12 - HD2 LYS 43 lone 1 61 - 1 - HA GLN 100 - HD3 LYS 20 lone 1 60 - 1 - HA GLN 100 - HD2 LYS 20 lone 1 58 - 1 - HA LEU 127 - HD3 LYS 20 lone 0 92 - 0 - HA LEU 127 - HD2 LYS 20 lone 0 91 - 0 - HA ASP 12 - HD3 LYS 73 lone 0 65 - 1 - HA ASP 12 - HD2 LYS 73 lone 0 65 - 1 - HA LEU 127 - HD3 LYS 96 lone 0 88 - 0 - HA LEU 127 - HD2 LYS 96 lone 0 86 - 0 - HA GLN 100 - HD3 LYS 43 lone 0 61 - 1 - HA LEU 127 - HG12 ILE 71 lone 0 69 - 1 - HA GLN 100 - HD2 LYS 43 lone 0 57 - 1 - HA ASP 12 - HD3 LYS 20 lone 0 64 - 0 - HA ASP 12 - HD2 LYS 20 lone 0 62 - 0 - HA ASP 12 - HD3 LYS 96 lone 0 59 - 0 - HA ASP 12 - HD2 LYS 96 lone 0 58 - 0 - Peak 5185 from cnoeabs.peaks (1.90, 1.68, 28.78 ppm; 2.72 A): 15 out of 189 assignments used, quality = 1.00: HB2 LYS 20 + HD3 LYS 20 OK 80 98 - 82 - 3.4=49, 2.9/3079=6...(38) HB3 LYS 20 + HD3 LYS 20 OK 80 98 - 82 - 3.4=49, 2.9/3079=6...(38) HB2 LYS 20 + HD2 LYS 20 OK 79 97 - 82 - 3.4=49, 2.9/3079=6...(39) HB3 LYS 20 + HD2 LYS 20 OK 79 97 - 82 - 3.4=49, 2.9/3079=6...(39) HB2 LYS 96 + HD3 LYS 96 OK 78 93 - 83 - 3.4=49, 1.8/6097=8...(38) HB2 LYS 96 + HD2 LYS 96 OK 76 91 - 84 - 3.4=49, 1.8/6097=8...(39) * HB2 LYS 73 + HD3 LYS 73 OK 75 100 - 75 - 3.8=35, 2.9/5170=7...(35) HB2 LYS 73 + HD2 LYS 73 OK 75 100 - 75 - 3.8=35, 2.9/5170=7...(35) HB3 LYS 73 + HD3 LYS 73 OK 75 100 - 75 - 3.8=35, 2.9/5170=7...(35) HB3 LYS 73 + HD2 LYS 73 OK 75 100 - 75 - 3.8=35, 2.9/5170=7...(35) HB3 LYS 43 + HD3 LYS 43 OK 70 98 - 71 - 3.8=35, 3.0/3846=6...(28) HB3 LYS 43 + HD2 LYS 43 OK 68 94 - 72 - 3.8=35, 3.0/3846=6...(31) HB2 LYS 43 + HD3 LYS 43 OK 63 87 - 72 - 3.8=35, 3.0/3846=6...(28) HB ILE 71 + HG12 ILE 71 OK 62 78 - 80 - 3.0=73, ~5089=9, ~5107=7...(6) HB2 LYS 43 + HD2 LYS 43 OK 59 82 - 73 - 3.8=35, 3.0/3846=6...(31) HB3 LYS 44 - HD2 LYS 96 OK 32 81 - 39 - 2.9/6107=2, 2.9/6136=1...(7) HB3 LYS 44 - HD3 LYS 96 OK 31 83 - 38 - 2.9/6107=2, 2.9/6136=1...(7) HB2 LYS 20 - HD3 LYS 73 OK 30 99 - 31 - 2.9/3079=2, 2.9/3069=2 HB3 LYS 20 - HD3 LYS 73 OK 30 99 - 31 - 2.9/3079=2, 2.9/3069=2 HB2 LYS 20 - HD2 LYS 73 OK 30 99 - 31 - 2.9/3079=2, 2.9/3069=2 HB3 LYS 20 - HD2 LYS 73 OK 30 99 - 31 - 2.9/3079=2, 2.9/3069=2 HB3 LYS 20 - HD3 LYS 43 OK 30 99 - 31 - 2.9/3069=2, 2.9/3079=2...(5) HB2 LYS 20 - HD3 LYS 43 OK 30 99 - 31 - 2.9/3069=2, 2.9/3079=2...(5) HB2 LYS 20 - HD2 LYS 43 OK 29 95 - 31 - 2.9/3069=2, 2.9/3079=2...(5) HB3 LYS 20 - HD2 LYS 43 OK 29 95 - 31 - 2.9/3069=2, 2.9/3079=2...(5) HB2 LYS 44 - HD2 LYS 96 OK 25 65 - 39 - 2.9/6107=2, 2.9/6136=1...(6) HB2 LYS 44 - HD3 LYS 96 OK 25 67 - 38 - 2.9/6107=2, 2.9/6136=1...(6) HB3 LYS 43 - HD3 LYS 20 OK 25 97 - 26 - 3.0/3816=2, 3.0/3847=2...(7) HB3 LYS 43 - HD2 LYS 20 OK 25 96 - 26 - 3.0/3816=2, 3.0/3847=1...(7) HB2 LYS 73 - HD3 LYS 20 OK 23 99 - 23 - 2.9/5170=2, 2.9/5177=1 HB2 LYS 43 - HD3 LYS 20 OK 23 85 - 27 - 3.0/3816=2, 3.0/3847=2...(7) HB2 LYS 73 - HD2 LYS 20 OK 23 99 - 23 - 2.9/5170=2, 2.9/5177=1 HB3 LYS 73 - HD3 LYS 20 OK 23 99 - 23 - 2.9/5170=2, 2.9/5177=1 HB3 LYS 73 - HD2 LYS 20 OK 22 99 - 23 - 2.9/5170=2, 2.9/5177=1 HB2 LYS 43 - HD2 LYS 20 OK 22 83 - 27 - 3.0/3816=2, 3.0/3847=1...(7) HB2 LYS 73 - HD3 LYS 43 OK 22 100 - 22 - 2.9/5170=2, 2.9/5187=1 HB2 LYS 73 - HD2 LYS 43 OK 22 97 - 23 - 2.9/5170=2, 2.9/5187=1 HB3 LYS 73 - HD3 LYS 43 OK 22 100 - 22 - 2.9/5170=2, 2.9/5187=1 HB3 LYS 73 - HD2 LYS 43 OK 22 97 - 22 - 2.9/5170=2, 2.9/5187=1 HB3 LYS 43 - HD3 LYS 73 OK 18 98 - 18 - 3.0/3846=1 HB3 LYS 43 - HD2 LYS 73 OK 18 98 - 18 - 3.0/3846=1 HB2 LYS 43 - HD3 LYS 73 OK 17 87 - 19 - 3.0/3846=1 HB2 LYS 43 - HD2 LYS 73 OK 16 87 - 19 - 3.0/3846=1 HB2 LYS 96 - HD3 LYS 73 OK 15 98 - 16 - 1.8/6097=2 HB2 LYS 96 - HD2 LYS 73 OK 15 98 - 16 - 1.8/6097=2 HB2 LYS 96 - HD3 LYS 20 OK 15 97 - 15 - 1.8/6097=2 HB2 LYS 96 - HD2 LYS 20 OK 15 96 - 15 - 1.8/6097=2 HB2 ARG 95 - HD3 LYS 96 OK 14 96 - 14 - 7789/5.7=3, 3.0/6020=2...(5) HB2 ARG 95 - HD2 LYS 96 OK 14 95 - 14 - 7789/5.7=3, 3.0/6020=2...(4) HB2 LYS 96 - HD3 LYS 43 OK 13 98 - 13 - 1.8/6097=1 HB2 LYS 96 - HD2 LYS 43 OK 13 94 - 13 - 1.8/6097=1 QE MET 67 - HG12 ILE 71 OK 12 53 - 23 - 9726/2.1=6, ~9782=4...(7) HB3 LYS 20 - HD3 LYS 96 OK 10 94 - 11 - HB2 LYS 20 - HD3 LYS 96 OK 10 94 - 11 - HB2 LYS 20 - HD2 LYS 96 OK 10 93 - 11 - HB3 LYS 20 - HD2 LYS 96 OK 10 93 - 11 - HB2 LYS 73 - HD3 LYS 96 poor 10 97 - 10 - HB2 LYS 73 - HD2 LYS 96 poor 10 95 - 10 - HB3 LYS 43 - HD3 LYS 96 poor 10 93 - 10 - HB3 LYS 73 - HD3 LYS 96 lone 10 96 - 10 - HB3 LYS 73 - HD2 LYS 96 poor 10 95 - 10 - HB3 LYS 43 - HD2 LYS 96 poor 9 91 - 10 - HB2 LYS 43 - HD3 LYS 96 poor 9 80 - 11 - HB2 LYS 43 - HD2 LYS 96 poor 8 79 - 10 - HB3 LYS 44 - HD2 LYS 43 lone 8 84 - 9 - HB3 LYS 44 - HD3 LYS 43 lone 7 90 - 8 - HB3 LYS 44 - HD2 LYS 73 lone 7 89 - 8 - HB3 LYS 44 - HD3 LYS 73 lone 7 90 - 8 - HB2 LYS 44 - HD2 LYS 43 lone 6 68 - 9 - HB2 LYS 44 - HD3 LYS 43 lone 6 73 - 9 - HG2 ARG 95 - HD3 LYS 96 poor 6 56 - 11 - 607/5.7=2, 4.1/6020=1 HG2 ARG 95 - HD2 LYS 96 poor 6 54 - 11 - 607/5.7=2, 4.1/6020=1 HB ILE 71 - HD2 LYS 73 lone 6 100 - 6 - ~9773=1 HB ILE 71 - HD3 LYS 73 lone 6 100 - 6 - ~9773=1 HB2 LYS 44 - HD2 LYS 73 lone 6 73 - 8 - HB2 LYS 44 - HD3 LYS 73 lone 6 73 - 8 - HB2 LEU 45 - HD3 LYS 73 lone 5 94 - 5 - HB2 LEU 45 - HD2 LYS 73 lone 5 94 - 5 - HB3 LYS 16 - HD3 LYS 20 lone 5 79 - 6 - HB3 LYS 16 - HD2 LYS 20 lone 5 77 - 6 - HB2 LYS 16 - HD3 LYS 20 lone 5 75 - 6 - HB2 ARG 95 - HD3 LYS 20 lone 5 99 - 5 - HB2 LYS 16 - HD2 LYS 20 lone 5 74 - 6 - HB2 ARG 95 - HD2 LYS 20 lone 5 98 - 5 - HB3 LYS 16 - HD3 LYS 73 lone 4 81 - 6 - HB3 LYS 16 - HD2 LYS 73 lone 4 80 - 6 - HB2 LYS 16 - HD3 LYS 73 lone 4 77 - 6 - HB2 LYS 16 - HD2 LYS 73 lone 4 77 - 6 - HB2 LEU 45 - HD3 LYS 20 lone 4 92 - 4 - HB2 LEU 45 - HD2 LYS 20 lone 4 91 - 4 - HB2 LYS 73 - HG12 ILE 71 lone 4 78 - 5 - 1467/4.6=1 HB3 LYS 73 - HG12 ILE 71 lone 4 78 - 5 - 1467/4.6=1 HB2 ARG 95 - HD3 LYS 73 lone 3 100 - 3 - HB2 ARG 95 - HD2 LYS 73 lone 3 100 - 3 - HB2 LEU 45 - HD3 LYS 96 lone 3 88 - 4 - HG LEU 45 - HD2 LYS 73 lone 3 84 - 4 - HG LEU 45 - HD3 LYS 20 lone 3 82 - 4 - HG LEU 45 - HD3 LYS 73 lone 3 84 - 4 - HG LEU 45 - HD2 LYS 20 lone 3 80 - 4 - HB3 LYS 44 - HD3 LYS 20 lone 3 88 - 3 - HB2 ARG 95 - HD3 LYS 43 lone 3 100 - 3 - HB3 LYS 44 - HD2 LYS 20 lone 3 86 - 3 - HB2 LEU 45 - HD2 LYS 96 lone 3 86 - 3 - HB2 ARG 95 - HD2 LYS 43 lone 3 97 - 3 - HG LEU 45 - HD3 LYS 96 lone 3 77 - 3 - HG LEU 45 - HD2 LYS 96 lone 3 76 - 3 - HB3 LYS 123 - HG12 ILE 71 lone 3 41 - 6 - ~10612=2 HB2 LYS 44 - HD3 LYS 20 lone 3 71 - 3 - HB2 LEU 45 - HD3 LYS 43 lone 2 94 - 3 - HB2 LYS 44 - HD2 LYS 20 lone 2 70 - 3 - HB ILE 71 - HD3 LYS 96 lone 2 96 - 2 - HB ILE 71 - HD2 LYS 96 lone 2 95 - 2 - HB3 LYS 123 - HD3 LYS 96 lone 2 56 - 4 - HB3 LYS 123 - HD2 LYS 96 lone 2 54 - 4 - HB2 LEU 45 - HD2 LYS 43 lone 2 89 - 2 - HG LEU 45 - HD3 LYS 43 lone 2 84 - 2 - HB2 LYS 96 - HG12 ILE 71 lone 2 74 - 3 - HG LEU 45 - HD2 LYS 43 lone 2 78 - 2 - HG2 ARG 95 - HD3 LYS 20 lone 2 60 - 3 - HG2 ARG 95 - HD2 LYS 20 lone 2 58 - 3 - HB3 LYS 16 - HD3 LYS 43 lone 1 81 - 2 - HB ILE 71 - HD3 LYS 20 lone 1 99 - 1 - HB ILE 71 - HD2 LYS 20 lone 1 99 - 1 - HB2 LYS 16 - HD3 LYS 43 lone 1 77 - 2 - HB3 LYS 16 - HD2 LYS 43 lone 1 75 - 2 - HB2 LYS 16 - HD2 LYS 43 lone 1 72 - 2 - HB3 LYS 16 - HD3 LYS 96 lone 1 74 - 2 - HB3 LYS 16 - HD2 LYS 96 lone 1 72 - 2 - HB2 LYS 16 - HD3 LYS 96 lone 1 71 - 2 - HG2 ARG 95 - HD3 LYS 43 lone 1 61 - 2 - HB2 LEU 45 - HG12 ILE 71 lone 1 69 - 2 - HB2 LYS 16 - HD2 LYS 96 lone 1 69 - 2 - HB2 GLU 128 - HD3 LYS 96 lone 1 93 - 1 - HG2 ARG 95 - HD2 LYS 73 lone 1 61 - 2 - HG2 ARG 95 - HD2 LYS 43 lone 1 57 - 2 - HG2 ARG 95 - HD3 LYS 73 lone 1 61 - 2 - HB2 GLU 128 - HD2 LYS 96 lone 1 91 - 1 - HG LEU 45 - HG12 ILE 71 lone 1 59 - 1 - HB3 LYS 44 - HG12 ILE 71 lone 1 64 - 1 - HB3 LYS 123 - HD3 LYS 43 lone 1 61 - 1 - HB ILE 7 - HD3 LYS 20 lone 1 99 - 1 - HB ILE 7 - HD2 LYS 20 lone 1 98 - 1 - HB2 LYS 49 - HG12 ILE 71 lone 1 77 - 1 - HB ILE 71 - HD3 LYS 43 lone 1 100 - 1 - HB ILE 7 - HD3 LYS 43 lone 1 100 - 1 - HB3 LYS 123 - HD3 LYS 20 lone 1 60 - 1 - HB ILE 7 - HD2 LYS 43 lone 1 97 - 1 - HB3 LYS 123 - HD2 LYS 20 lone 1 58 - 1 - HB2 LYS 20 - HG12 ILE 71 lone 1 75 - 1 - HB3 LYS 20 - HG12 ILE 71 lone 1 75 - 1 - HB ILE 71 - HD2 LYS 43 lone 1 97 - 1 - HB3 LYS 123 - HD2 LYS 73 lone 1 61 - 1 - HB3 LYS 123 - HD3 LYS 73 lone 1 61 - 1 - HB2 LYS 44 - HG12 ILE 71 lone 1 50 - 1 - HB3 LYS 123 - HD2 LYS 43 lone 1 57 - 1 - HB2 ARG 95 - HG12 ILE 71 lone 0 78 - 1 - HB ILE 7 - HD3 LYS 73 lone 0 100 - 0 - HB ILE 7 - HD2 LYS 73 lone 0 100 - 0 - HB ILE 7 - HD3 LYS 96 lone 0 96 - 0 - HB ILE 7 - HD2 LYS 96 lone 0 94 - 0 - HB3 LYS 16 - HG12 ILE 71 lone 0 56 - 1 - HB2 LYS 49 - HD3 LYS 20 lone 0 98 - 0 - HB2 LYS 49 - HD3 LYS 96 lone 0 95 - 0 - HB2 LYS 49 - HD2 LYS 20 lone 0 97 - 0 - HB2 LYS 49 - HD2 LYS 96 lone 0 94 - 0 - HB2 LYS 16 - HG12 ILE 71 lone 0 53 - 1 - HB3 LYS 43 - HG12 ILE 71 lone 0 74 - 0 - HB ILE 7 - HG12 ILE 71 lone 0 77 - 0 - HB2 GLU 128 - HD2 LYS 73 lone 0 98 - 0 - HB2 GLU 128 - HD3 LYS 73 lone 0 98 - 0 - HB2 GLU 128 - HD3 LYS 20 lone 0 97 - 0 - HB2 GLU 128 - HD2 LYS 20 lone 0 96 - 0 - HB2 GLU 128 - HD3 LYS 43 lone 0 98 - 0 - HB2 LYS 49 - HD3 LYS 73 lone 0 99 - 0 - HB2 LYS 49 - HD2 LYS 73 lone 0 99 - 0 - HB2 LYS 49 - HD3 LYS 43 lone 0 99 - 0 - HB2 GLU 128 - HD2 LYS 43 lone 0 94 - 0 - HB2 LYS 43 - HG12 ILE 71 lone 0 62 - 0 - QE MET 67 - HD3 LYS 20 lone 0 75 - 0 - HB2 GLU 128 - HG12 ILE 71 lone 0 74 - 0 - QE MET 67 - HD3 LYS 96 lone 0 71 - 0 - QE MET 67 - HD2 LYS 20 lone 0 74 - 0 - HB2 LYS 49 - HD2 LYS 43 lone 0 96 - 0 - QE MET 67 - HD2 LYS 96 lone 0 69 - 0 - QE MET 67 - HD2 LYS 73 lone 0 77 - 0 - QE MET 67 - HD3 LYS 73 lone 0 77 - 0 - QE MET 67 - HD3 LYS 43 lone 0 77 - 0 - QE MET 67 - HD2 LYS 43 lone 0 72 - 0 - HG2 ARG 95 - HG12 ILE 71 lone 0 41 - 0 - Peak 5186 from cnoeabs.peaks (1.89, 1.68, 28.78 ppm; 2.72 A): 15 out of 180 assignments used, quality = 1.00: HB3 LYS 20 + HD3 LYS 20 OK 81 98 - 82 - 3.4=49, 2.9/3079=6...(38) HB2 LYS 20 + HD3 LYS 20 OK 81 98 - 82 - 3.4=49, 2.9/3079=6...(38) HB2 LYS 20 + HD2 LYS 20 OK 80 97 - 82 - 3.4=49, 2.9/3079=6...(39) HB3 LYS 20 + HD2 LYS 20 OK 80 97 - 82 - 3.4=49, 2.9/3079=6...(39) HB2 LYS 96 + HD3 LYS 96 OK 76 91 - 83 - 3.4=49, 1.8/6097=8...(38) HB2 LYS 96 + HD2 LYS 96 OK 75 90 - 84 - 3.4=49, 1.8/6097=8...(39) HB2 LYS 73 + HD3 LYS 73 OK 75 100 - 75 - 3.8=35, 2.9/5170=7...(35) HB2 LYS 73 + HD2 LYS 73 OK 75 100 - 75 - 3.8=35, 2.9/5170=7...(35) * HB3 LYS 73 + HD3 LYS 73 OK 75 100 - 75 - 3.8=35, 2.9/5170=7...(35) HB3 LYS 73 + HD2 LYS 73 OK 75 100 - 75 - 3.8=35, 2.9/5170=7...(35) HB3 LYS 43 + HD3 LYS 43 OK 69 97 - 71 - 3.8=35, 3.0/3846=6...(28) HB3 LYS 43 + HD2 LYS 43 OK 67 93 - 72 - 3.8=35, 3.0/3846=6...(31) HB ILE 71 + HG12 ILE 71 OK 62 78 - 80 - 3.0=73, ~5089=9, ~5107=7...(6) HB2 LYS 43 + HD3 LYS 43 OK 60 84 - 72 - 3.8=35, 3.0/3846=6...(28) HB2 LYS 43 + HD2 LYS 43 OK 57 78 - 73 - 3.8=35, 3.0/3846=6...(31) HB3 LYS 20 - HD3 LYS 73 OK 30 99 - 31 - 2.9/3079=2, 2.9/3069=2 HB2 LYS 20 - HD3 LYS 73 OK 30 99 - 31 - 2.9/3079=2, 2.9/3069=2 HB3 LYS 44 - HD2 LYS 96 OK 30 79 - 39 - 2.9/6107=2, 2.9/6136=1...(7) HB2 LYS 20 - HD2 LYS 73 OK 30 99 - 31 - 2.9/3079=2, 2.9/3069=2 HB3 LYS 20 - HD2 LYS 73 OK 30 99 - 31 - 2.9/3079=2, 2.9/3069=2 HB3 LYS 44 - HD3 LYS 96 OK 30 80 - 38 - 2.9/6107=2, 2.9/6136=1...(6) HB2 LYS 20 - HD3 LYS 43 OK 30 99 - 31 - 2.9/3069=2, 2.9/3079=2...(5) HB3 LYS 20 - HD3 LYS 43 OK 30 99 - 31 - 2.9/3069=2, 2.9/3079=2...(5) HB3 LYS 20 - HD2 LYS 43 OK 29 96 - 31 - 2.9/3069=2, 2.9/3079=2...(5) HB2 LYS 20 - HD2 LYS 43 OK 29 96 - 31 - 2.9/3069=2, 2.9/3079=2...(5) HB3 LYS 43 - HD3 LYS 20 OK 25 96 - 26 - 3.0/3816=2, 3.0/3847=2...(6) HB3 LYS 43 - HD2 LYS 20 OK 24 94 - 26 - 3.0/3816=2, 3.0/3847=1...(6) HB2 LYS 44 - HD2 LYS 96 OK 24 62 - 39 - 2.9/6107=2, 2.9/6136=1...(6) HB2 LYS 44 - HD3 LYS 96 OK 24 63 - 38 - 2.9/6107=2, 2.9/6136=1...(5) HB2 LYS 73 - HD3 LYS 20 OK 23 99 - 23 - 2.9/5170=2, 2.9/5177=1 HB2 LYS 73 - HD2 LYS 20 OK 23 99 - 23 - 2.9/5170=2, 2.9/5177=1 HB3 LYS 73 - HD3 LYS 20 OK 23 99 - 23 - 2.9/5170=2, 2.9/5177=1 HB3 LYS 73 - HD2 LYS 20 OK 22 99 - 23 - 2.9/5170=2, 2.9/5177=1 HB2 LYS 73 - HD3 LYS 43 OK 22 100 - 22 - 2.9/5170=2, 2.9/5187=1 HB2 LYS 43 - HD3 LYS 20 OK 22 82 - 27 - 3.0/3816=2, 3.0/3847=2...(7) HB2 LYS 73 - HD2 LYS 43 OK 22 97 - 23 - 2.9/5170=2, 2.9/5187=1 HB3 LYS 73 - HD3 LYS 43 OK 22 100 - 22 - 2.9/5170=2, 2.9/5187=1 HB3 LYS 73 - HD2 LYS 43 OK 22 97 - 22 - 2.9/5170=2, 2.9/5187=1 HB2 LYS 43 - HD2 LYS 20 OK 22 80 - 27 - 3.0/3816=2, 3.0/3847=1...(7) HB3 LYS 43 - HD3 LYS 73 OK 18 97 - 18 - 3.0/3846=1 HB3 LYS 43 - HD2 LYS 73 OK 18 97 - 18 - 3.0/3846=1 HB2 LYS 43 - HD3 LYS 73 OK 16 84 - 19 - 3.0/3846=1 HB2 LYS 43 - HD2 LYS 73 OK 16 84 - 19 - 3.0/3846=1 HB2 LYS 96 - HD3 LYS 73 OK 15 97 - 16 - 1.8/6097=2 HB2 LYS 96 - HD2 LYS 73 OK 15 97 - 16 - 1.8/6097=2 HB2 LYS 96 - HD3 LYS 20 OK 15 96 - 15 - 1.8/6097=2 HB2 LYS 96 - HD2 LYS 20 OK 14 94 - 15 - 1.8/6097=2 HB2 ARG 95 - HD3 LYS 96 OK 14 96 - 14 - 7789/5.7=3, 3.0/6020=2...(5) HB2 ARG 95 - HD2 LYS 96 OK 14 94 - 14 - 7789/5.7=3, 3.0/6020=2...(4) QE MET 67 - HG12 ILE 71 OK 13 56 - 23 - 9726/2.1=6, ~9782=4...(7) HB2 LYS 96 - HD3 LYS 43 OK 13 97 - 13 - 1.8/6097=1 HB2 LYS 96 - HD2 LYS 43 OK 12 93 - 13 - 1.8/6097=1 HB2 LYS 20 - HD3 LYS 96 OK 10 95 - 11 - HB3 LYS 20 - HD3 LYS 96 OK 10 95 - 11 - HB3 LYS 20 - HD2 LYS 96 OK 10 94 - 11 - HB2 LYS 20 - HD2 LYS 96 OK 10 94 - 11 - HB2 LYS 73 - HD3 LYS 96 poor 10 96 - 10 - HB2 LYS 73 - HD2 LYS 96 poor 10 95 - 10 - HB3 LYS 73 - HD3 LYS 96 lone 10 97 - 10 - HB3 LYS 73 - HD2 LYS 96 poor 10 95 - 10 - HB3 LYS 43 - HD3 LYS 96 poor 10 91 - 10 - HB3 LYS 43 - HD2 LYS 96 poor 9 90 - 10 - HB2 LYS 43 - HD3 LYS 96 poor 8 77 - 10 - HB2 LYS 43 - HD2 LYS 96 poor 8 76 - 10 - HB3 LYS 44 - HD2 LYS 43 lone 7 82 - 9 - HB3 LYS 44 - HD3 LYS 43 lone 7 87 - 8 - HG2 ARG 95 - HD3 LYS 96 poor 7 59 - 12 - 607/5.7=2, 4.1/6020=1...(4) HB3 LYS 44 - HD2 LYS 73 lone 7 87 - 8 - HG2 ARG 95 - HD2 LYS 96 poor 7 58 - 12 - 607/5.7=2, 4.1/6020=1...(4) HB3 LYS 44 - HD3 LYS 73 lone 7 87 - 8 - HB ILE 71 - HD2 LYS 73 lone 6 100 - 6 - ~9773=1 HB ILE 71 - HD3 LYS 73 lone 6 100 - 6 - ~9773=1 HB2 LYS 44 - HD2 LYS 43 lone 6 64 - 9 - HB2 LYS 44 - HD3 LYS 43 lone 6 70 - 9 - HB2 LYS 44 - HD2 LYS 73 lone 6 69 - 8 - HB2 LYS 44 - HD3 LYS 73 lone 5 70 - 8 - HB3 LYS 16 - HD3 LYS 20 lone 5 82 - 6 - HB3 LYS 16 - HD2 LYS 20 lone 5 80 - 6 - HB2 LEU 45 - HD3 LYS 73 lone 5 92 - 5 - HB2 LEU 45 - HD2 LYS 73 lone 5 92 - 5 - HB2 LYS 16 - HD3 LYS 20 lone 5 79 - 6 - HB2 LYS 16 - HD2 LYS 20 lone 5 77 - 6 - HB3 LYS 16 - HD3 LYS 73 lone 5 84 - 6 - HB3 LYS 16 - HD2 LYS 73 lone 5 84 - 6 - HB2 LYS 16 - HD3 LYS 73 lone 5 81 - 6 - HB2 LYS 16 - HD2 LYS 73 lone 5 80 - 6 - HB2 ARG 95 - HD3 LYS 20 lone 5 99 - 5 - HB2 ARG 95 - HD2 LYS 20 lone 4 98 - 5 - HB2 LEU 45 - HD3 LYS 20 lone 4 90 - 4 - HB2 LEU 45 - HD2 LYS 20 lone 4 89 - 4 - HB2 LYS 73 - HG12 ILE 71 lone 4 78 - 5 - 1467/4.6=1 HB3 LYS 73 - HG12 ILE 71 lone 4 78 - 5 - 1467/4.6=1 HG LEU 45 - HD3 LYS 73 lone 3 87 - 4 - HG LEU 45 - HD2 LYS 73 lone 3 87 - 4 - HG LEU 45 - HD3 LYS 20 lone 3 85 - 4 - HB2 ARG 95 - HD3 LYS 73 lone 3 100 - 3 - HB2 ARG 95 - HD2 LYS 73 lone 3 100 - 3 - HG LEU 45 - HD2 LYS 20 lone 3 83 - 4 - HB2 LEU 45 - HD3 LYS 96 lone 3 86 - 4 - HB2 ARG 95 - HD3 LYS 43 lone 3 100 - 3 - HB3 LYS 44 - HD3 LYS 20 lone 3 85 - 3 - HB2 ARG 95 - HD2 LYS 43 lone 3 97 - 3 - HB2 LEU 45 - HD2 LYS 96 lone 3 84 - 3 - HB3 LYS 44 - HD2 LYS 20 lone 3 83 - 3 - HG LEU 45 - HD3 LYS 96 lone 3 80 - 4 - HG LEU 45 - HD2 LYS 96 lone 3 79 - 4 - HB2 LEU 45 - HD3 LYS 43 lone 2 92 - 3 - HB2 LYS 44 - HD3 LYS 20 lone 2 68 - 3 - HB ILE 71 - HD3 LYS 96 lone 2 96 - 2 - HB2 LYS 44 - HD2 LYS 20 lone 2 66 - 3 - HB ILE 71 - HD2 LYS 96 lone 2 95 - 2 - HG LEU 45 - HD3 LYS 43 lone 2 87 - 2 - HB2 LEU 45 - HD2 LYS 43 lone 2 87 - 2 - HG LEU 45 - HD2 LYS 43 lone 2 82 - 2 - HB2 LYS 96 - HG12 ILE 71 lone 2 73 - 3 - HG2 ARG 95 - HD3 LYS 20 lone 2 64 - 3 - HG2 ARG 95 - HD2 LYS 20 lone 2 62 - 3 - HB3 LYS 16 - HD3 LYS 43 lone 2 84 - 2 - HB2 LYS 16 - HD3 LYS 43 lone 2 81 - 2 - HB ILE 71 - HD3 LYS 20 lone 1 99 - 1 - HB ILE 71 - HD2 LYS 20 lone 1 98 - 1 - HB3 LYS 16 - HD2 LYS 43 lone 1 78 - 2 - HB2 LYS 16 - HD2 LYS 43 lone 1 75 - 2 - HB3 LYS 16 - HD3 LYS 96 lone 1 77 - 2 - HG2 ARG 95 - HD3 LYS 43 lone 1 65 - 2 - HB3 LYS 16 - HD2 LYS 96 lone 1 76 - 2 - HB2 LYS 16 - HD3 LYS 96 lone 1 74 - 2 - HB2 LYS 16 - HD2 LYS 96 lone 1 72 - 2 - HG2 ARG 95 - HD3 LYS 73 lone 1 65 - 2 - HG2 ARG 95 - HD2 LYS 73 lone 1 65 - 2 - HG2 ARG 95 - HD2 LYS 43 lone 1 61 - 2 - HB2 LEU 45 - HG12 ILE 71 lone 1 67 - 2 - HB2 GLU 128 - HD3 LYS 96 lone 1 91 - 1 - HB2 GLU 128 - HD2 LYS 96 lone 1 90 - 1 - HG LEU 45 - HG12 ILE 71 lone 1 62 - 2 - HB3 LYS 44 - HG12 ILE 71 lone 1 62 - 1 - HB ILE 7 - HD3 LYS 20 lone 1 99 - 1 - HB ILE 7 - HD2 LYS 20 lone 1 98 - 1 - HB ILE 71 - HD3 LYS 43 lone 1 100 - 1 - HB2 LYS 49 - HG12 ILE 71 lone 1 75 - 1 - HB ILE 7 - HD3 LYS 43 lone 1 100 - 1 - HB ILE 7 - HD2 LYS 43 lone 1 97 - 1 - HB3 LYS 20 - HG12 ILE 71 lone 1 77 - 1 - HB2 LYS 20 - HG12 ILE 71 lone 1 77 - 1 - HB ILE 71 - HD2 LYS 43 lone 1 97 - 1 - HB2 LYS 44 - HG12 ILE 71 lone 1 47 - 1 - HB2 ARG 95 - HG12 ILE 71 lone 0 77 - 1 - HB ILE 7 - HD3 LYS 73 lone 0 100 - 0 - HB ILE 7 - HD3 LYS 96 lone 0 96 - 0 - HB ILE 7 - HD2 LYS 73 lone 0 100 - 0 - HB ILE 7 - HD2 LYS 96 lone 0 95 - 0 - HB3 LYS 16 - HG12 ILE 71 lone 0 59 - 1 - HB2 LYS 16 - HG12 ILE 71 lone 0 56 - 1 - HB2 LYS 49 - HD3 LYS 20 lone 0 98 - 0 - HB2 LYS 49 - HD3 LYS 96 lone 0 94 - 0 - HB2 LYS 49 - HD2 LYS 20 lone 0 97 - 0 - HB2 LYS 49 - HD2 LYS 96 lone 0 93 - 0 - HB ILE 7 - HG12 ILE 71 lone 0 78 - 0 - HB3 LYS 43 - HG12 ILE 71 lone 0 73 - 0 - HB2 GLU 128 - HD2 LYS 73 lone 0 97 - 0 - HB2 GLU 128 - HD3 LYS 73 lone 0 97 - 0 - HB2 GLU 128 - HD3 LYS 20 lone 0 96 - 0 - HB2 GLU 128 - HD2 LYS 20 lone 0 94 - 0 - QE MET 67 - HD3 LYS 96 lone 0 74 - 0 - QE MET 67 - HD3 LYS 20 lone 0 79 - 0 - HB2 GLU 128 - HD3 LYS 43 lone 0 97 - 0 - HB2 LYS 49 - HD3 LYS 73 lone 0 99 - 0 - HB2 LYS 49 - HD2 LYS 73 lone 0 99 - 0 - QE MET 67 - HD2 LYS 96 lone 0 72 - 0 - QE MET 67 - HD2 LYS 20 lone 0 77 - 0 - HB2 LYS 49 - HD3 LYS 43 lone 0 99 - 0 - HB2 GLU 128 - HD2 LYS 43 lone 0 93 - 0 - QE MET 67 - HD2 LYS 73 lone 0 80 - 0 - QE MET 67 - HD3 LYS 73 lone 0 81 - 0 - HB2 GLU 128 - HG12 ILE 71 lone 0 73 - 0 - HB2 LYS 49 - HD2 LYS 43 lone 0 95 - 0 - HB2 LYS 43 - HG12 ILE 71 lone 0 59 - 0 - QE MET 67 - HD3 LYS 43 lone 0 81 - 0 - QE MET 67 - HD2 LYS 43 lone 0 75 - 0 - HG2 ARG 95 - HG12 ILE 71 lone 0 44 - 0 - Peak 5187 from cnoeabs.peaks (1.60, 1.68, 28.78 ppm; 2.40 A): 2 out of 81 assignments used, quality = 0.95: * HG2 LYS 73 + HD3 LYS 73 OK 78 100 - 78 - 3.0=53, 1.8/5170=8...(19) HG2 LYS 73 + HD2 LYS 73 OK 78 100 - 78 - 3.0=53, 1.8/5170=8...(19) HG2 LYS 73 - HD3 LYS 20 OK 20 99 - 20 - 5160=3, 1.8/5170=2, 5160/1.8=2 HG2 LYS 73 - HD3 LYS 43 OK 20 100 - 20 - 5160=3, 1.8/5170=2...(5) HG2 LYS 73 - HD2 LYS 20 OK 20 99 - 20 - 5160=3, 1.8/5170=2, 5160/1.8=2 HG2 LYS 73 - HD2 LYS 43 OK 20 97 - 20 - 5160=3, 1.8/5170=2...(5) HG2 LYS 44 - HD3 LYS 96 OK 18 71 - 26 - 1.8/6107=2, 5160=2...(6) HG2 LYS 44 - HD2 LYS 96 OK 18 69 - 26 - 1.8/6107=2, 5160=2...(6) HG2 LYS 73 - HD3 LYS 96 lone 9 97 - 9 - 5160=1 HG2 LYS 73 - HD2 LYS 96 lone 9 95 - 9 - 5160=1 HG LEU 68 - HG12 ILE 71 poor 8 69 - 11 - ~9775=4, 2.1/11075=2...(5) HG2 LYS 44 - HD3 LYS 73 lone 4 77 - 5 - HG2 LYS 44 - HD2 LYS 73 lone 4 77 - 5 - HG2 LYS 44 - HD3 LYS 43 lone 4 77 - 5 - HG2 LYS 44 - HD2 LYS 43 lone 4 72 - 5 - HG2 LYS 73 - HG12 ILE 71 lone 2 78 - 3 - HG2 LYS 44 - HD3 LYS 20 lone 2 75 - 2 - HG2 LYS 44 - HD2 LYS 20 lone 2 74 - 2 - HG3 LYS 19 - HD3 LYS 20 lone 1 99 - 1 - HG3 LYS 19 - HD2 LYS 20 lone 1 99 - 1 - HD2 LYS 19 - HD3 LYS 20 lone 1 99 - 1 - HD3 LYS 19 - HD3 LYS 20 lone 1 99 - 1 - HD2 LYS 19 - HD2 LYS 20 lone 1 98 - 1 - HD3 LYS 19 - HD2 LYS 20 lone 1 98 - 1 - HG LEU 68 - HD2 LYS 73 lone 1 94 - 1 - HG LEU 68 - HD3 LYS 73 lone 1 94 - 1 - HG LEU 68 - HD3 LYS 20 lone 1 92 - 1 - HG LEU 68 - HD2 LYS 20 lone 1 91 - 1 - HG3 LYS 19 - HD2 LYS 73 lone 1 100 - 1 - HG3 LYS 19 - HD3 LYS 73 lone 1 100 - 1 - HG LEU 68 - HD3 LYS 43 lone 1 94 - 1 - HG LEU 68 - HD2 LYS 43 lone 1 89 - 1 - HG3 LYS 19 - HD3 LYS 43 lone 1 100 - 1 - HG3 LYS 19 - HD2 LYS 43 lone 1 97 - 1 - HG LEU 68 - HD3 LYS 96 lone 0 88 - 1 - HG LEU 68 - HD2 LYS 96 lone 0 86 - 0 - HD2 LYS 19 - HD3 LYS 73 lone 0 100 - 0 - HD3 LYS 19 - HD3 LYS 73 lone 0 100 - 0 - HD2 LYS 19 - HD2 LYS 73 lone 0 100 - 0 - HD3 LYS 19 - HD2 LYS 73 lone 0 100 - 0 - HG LEU 82 - HG12 ILE 71 lone 0 78 - 0 - HG2 LYS 44 - HG12 ILE 71 lone 0 53 - 1 - HG LEU 82 - HD3 LYS 73 lone 0 100 - 0 - HG LEU 82 - HD2 LYS 73 lone 0 100 - 0 - HG LEU 82 - HD3 LYS 96 lone 0 96 - 0 - HG LEU 82 - HD2 LYS 96 lone 0 95 - 0 - HD2 LYS 19 - HD3 LYS 43 lone 0 100 - 0 - HD3 LYS 19 - HD3 LYS 43 lone 0 100 - 0 - HB3 LEU 127 - HD3 LYS 43 lone 0 73 - 0 - HG3 LYS 19 - HD3 LYS 96 lone 0 96 - 0 - HG12 ILE 116 - HD3 LYS 96 lone 0 77 - 0 - HD2 LYS 19 - HD2 LYS 43 lone 0 97 - 0 - HD3 LYS 19 - HD2 LYS 43 lone 0 97 - 0 - HG3 LYS 19 - HD2 LYS 96 lone 0 95 - 0 - HG12 ILE 116 - HD2 LYS 96 lone 0 76 - 0 - HB3 LEU 127 - HD2 LYS 43 lone 0 68 - 0 - HG3 LYS 19 - HG12 ILE 71 lone 0 78 - 0 - HG LEU 82 - HD3 LYS 20 lone 0 99 - 0 - HG LEU 82 - HD2 LYS 20 lone 0 99 - 0 - HB3 LEU 127 - HD3 LYS 73 lone 0 73 - 0 - HB3 LEU 127 - HD2 LYS 73 lone 0 73 - 0 - HD2 LYS 19 - HG12 ILE 71 lone 0 77 - 0 - HD3 LYS 19 - HG12 ILE 71 lone 0 77 - 0 - HD3 LYS 19 - HD3 LYS 96 lone 0 96 - 0 - HD2 LYS 19 - HD3 LYS 96 lone 0 96 - 0 - HG LEU 82 - HD3 LYS 43 lone 0 100 - 0 - HD2 LYS 19 - HD2 LYS 96 lone 0 94 - 0 - HD3 LYS 19 - HD2 LYS 96 lone 0 94 - 0 - HG LEU 82 - HD2 LYS 43 lone 0 97 - 0 - HG12 ILE 116 - HD3 LYS 73 lone 0 84 - 0 - HG12 ILE 116 - HD2 LYS 73 lone 0 84 - 0 - HG12 ILE 116 - HD3 LYS 43 lone 0 84 - 0 - HG12 ILE 116 - HD3 LYS 20 lone 0 82 - 0 - HB3 LEU 127 - HD3 LYS 20 lone 0 71 - 0 - HG12 ILE 116 - HD2 LYS 20 lone 0 80 - 0 - HB3 LEU 127 - HD3 LYS 96 lone 0 67 - 0 - HG12 ILE 116 - HD2 LYS 43 lone 0 78 - 0 - HB3 LEU 127 - HD2 LYS 20 lone 0 70 - 0 - HB3 LEU 127 - HD2 LYS 96 lone 0 65 - 0 - HG12 ILE 116 - HG12 ILE 71 lone 0 59 - 0 - HB3 LEU 127 - HG12 ILE 71 lone 0 50 - 0 - Peak 5188 from cnoeabs.peaks (1.48, 1.68, 28.78 ppm; 2.40 A): 4 out of 99 assignments used, quality = 1.00: * HG3 LYS 73 + HD3 LYS 73 OK 77 100 - 77 - 3.0=53, 5170/1.8=8...(19) HG3 LYS 73 + HD2 LYS 73 OK 77 100 - 77 - 3.0=53, 5170/1.8=8...(19) HG3 LYS 20 + HD3 LYS 20 OK 74 99 - 75 - 3.0=54, 3078/1.8=7...(15) HG3 LYS 20 + HD2 LYS 20 OK 73 98 - 75 - 3.0=54, 3078/1.8=7...(15) HG3 LYS 20 - HD3 LYS 43 OK 22 100 - 22 - 3079=3, 1.8/3069=2...(8) HG3 LYS 20 - HD3 LYS 73 OK 22 100 - 22 - 3079=3, 3078/1.8=2...(4) HG3 LYS 20 - HD2 LYS 73 OK 22 100 - 22 - 3079=3, 3079/1.8=2...(4) HG3 LYS 20 - HD2 LYS 43 OK 21 97 - 22 - 3079=3, 1.8/3069=2...(8) HG3 LYS 73 - HD3 LYS 20 OK 20 99 - 20 - 5170=3, 5170/1.8=2, 1.8/5177=2 HG3 LYS 73 - HD2 LYS 20 OK 20 99 - 20 - 5170=3, 5170/1.8=2, 1.8/5177=2 HG3 LYS 73 - HD3 LYS 43 OK 19 100 - 19 - 5170=3, 5170/1.8=2...(5) HG3 LYS 73 - HD2 LYS 43 OK 19 97 - 20 - 5170=3, 5170/1.8=2...(5) HG3 LYS 73 - HD3 LYS 96 lone 9 97 - 9 - 5170=1 HG3 LYS 73 - HD2 LYS 96 lone 9 95 - 9 - 5170=1 HG3 LYS 20 - HD3 LYS 96 lone 7 96 - 7 - 3079=1 HG3 LYS 20 - HD2 LYS 96 lone 7 95 - 7 - 3079=1 HB3 LEU 45 - HD3 LYS 73 lone 3 96 - 3 - HB3 LEU 45 - HD2 LYS 73 lone 3 95 - 3 - HB2 LEU 74 - HG12 ILE 71 lone 3 62 - 5 - 9789/3.2=3 HB3 LEU 45 - HD3 LYS 20 lone 3 94 - 3 - HB3 LEU 45 - HD2 LYS 20 lone 3 93 - 3 - HG3 LYS 73 - HG12 ILE 71 lone 2 78 - 3 - HB3 LEU 45 - HD3 LYS 96 lone 2 90 - 2 - HB3 LEU 45 - HD2 LYS 96 lone 2 88 - 2 - HG2 ARG 30 - HG12 ILE 71 lone 2 41 - 4 - HB2 LEU 74 - HD3 LYS 73 lone 2 87 - 2 - HB2 LEU 74 - HD2 LYS 73 lone 2 87 - 2 - HB3 LEU 45 - HD3 LYS 43 lone 1 96 - 1 - HB3 LEU 45 - HD2 LYS 43 lone 1 91 - 1 - HG3 ARG 118 - HD3 LYS 20 lone 1 98 - 1 - HG3 ARG 118 - HD2 LYS 20 lone 1 97 - 1 - HB3 LEU 45 - HG12 ILE 71 lone 1 71 - 1 - HB3 LEU 38 - HD3 LYS 20 lone 1 68 - 1 - HB3 LEU 38 - HD3 LYS 96 lone 0 63 - 1 - HB2 LEU 74 - HD3 LYS 20 lone 0 85 - 1 - HB3 LEU 38 - HD2 LYS 20 lone 0 66 - 1 - HB3 LEU 38 - HD2 LYS 96 lone 0 62 - 1 - HB2 LEU 74 - HD2 LYS 20 lone 0 83 - 1 - HG3 LYS 20 - HG12 ILE 71 lone 0 78 - 1 - HG12 ILE 57 - HD3 LYS 20 lone 0 64 - 1 - HG12 ILE 57 - HD2 LYS 20 lone 0 62 - 1 - HG3 ARG 118 - HD3 LYS 73 lone 0 99 - 0 - HG3 ARG 118 - HD2 LYS 73 lone 0 99 - 0 - HB2 LEU 74 - HD3 LYS 43 lone 0 87 - 0 - HG2 LYS 106 - HD3 LYS 20 lone 0 64 - 0 - HB3 LEU 38 - HD3 LYS 43 lone 0 70 - 0 - HB2 LEU 74 - HD2 LYS 43 lone 0 82 - 0 - HG2 LYS 106 - HD2 LYS 20 lone 0 62 - 0 - HB3 LEU 38 - HD3 LYS 73 lone 0 70 - 0 - HB3 LEU 38 - HD2 LYS 73 lone 0 69 - 0 - HB3 LEU 38 - HD2 LYS 43 lone 0 64 - 0 - HG3 ARG 118 - HD3 LYS 43 lone 0 99 - 0 - HD2 LYS 53 - HG12 ILE 71 lone 0 78 - 0 - HG12 ILE 7 - HD3 LYS 20 lone 0 60 - 0 - HD2 LYS 53 - HD3 LYS 20 lone 0 99 - 0 - HD2 LYS 53 - HD2 LYS 20 lone 0 98 - 0 - HD2 LYS 53 - HD3 LYS 73 lone 0 100 - 0 - HD2 LYS 53 - HD2 LYS 73 lone 0 100 - 0 - HG3 ARG 118 - HD2 LYS 43 lone 0 95 - 0 - HG12 ILE 7 - HD2 LYS 20 lone 0 58 - 0 - HB3 LEU 38 - HG12 ILE 71 lone 0 47 - 0 - HB2 LEU 74 - HD3 LYS 96 lone 0 80 - 0 - HB2 LEU 74 - HD2 LYS 96 lone 0 79 - 0 - HG12 ILE 7 - HD3 LYS 43 lone 0 61 - 0 - HG2 LYS 106 - HG12 ILE 71 lone 0 44 - 0 - HG12 ILE 7 - HD2 LYS 43 lone 0 57 - 0 - HD2 LYS 53 - HD3 LYS 43 lone 0 100 - 0 - HG12 ILE 7 - HD3 LYS 73 lone 0 61 - 0 - HG3 ARG 118 - HG12 ILE 71 lone 0 75 - 0 - HD2 LYS 53 - HD2 LYS 43 lone 0 97 - 0 - HG12 ILE 7 - HD2 LYS 73 lone 0 61 - 0 - HG12 ILE 57 - HD3 LYS 73 lone 0 65 - 0 - HG12 ILE 57 - HD2 LYS 73 lone 0 65 - 0 - HG3 ARG 118 - HD3 LYS 96 lone 0 94 - 0 - HG3 ARG 118 - HD2 LYS 96 lone 0 93 - 0 - HG2 ARG 30 - HD3 LYS 96 lone 0 56 - 0 - HD2 LYS 53 - HD3 LYS 96 lone 0 96 - 0 - HG2 ARG 30 - HD2 LYS 96 lone 0 54 - 0 - HD2 LYS 53 - HD2 LYS 96 lone 0 95 - 0 - HG12 ILE 7 - HD3 LYS 96 lone 0 56 - 0 - HG2 LYS 106 - HD3 LYS 96 lone 0 59 - 0 - HG12 ILE 7 - HD2 LYS 96 lone 0 54 - 0 - HG2 LYS 106 - HD2 LYS 96 lone 0 58 - 0 - HG12 ILE 57 - HD3 LYS 43 lone 0 65 - 0 - HG2 LYS 106 - HD3 LYS 73 lone 0 65 - 0 - HG2 LYS 106 - HD2 LYS 73 lone 0 65 - 0 - HG2 ARG 30 - HD3 LYS 73 lone 0 61 - 0 - HG2 ARG 30 - HD2 LYS 73 lone 0 61 - 0 - HG2 LYS 106 - HD3 LYS 43 lone 0 65 - 0 - HG2 ARG 30 - HD3 LYS 20 lone 0 60 - 0 - HG12 ILE 57 - HD2 LYS 43 lone 0 61 - 0 - HG2 ARG 30 - HD3 LYS 43 lone 0 61 - 0 - HG2 ARG 30 - HD2 LYS 20 lone 0 58 - 0 - HG2 LYS 106 - HD2 LYS 43 lone 0 61 - 0 - HG2 ARG 30 - HD2 LYS 43 lone 0 57 - 0 - HG12 ILE 57 - HD3 LYS 96 lone 0 59 - 0 - HG12 ILE 57 - HD2 LYS 96 lone 0 58 - 0 - HG12 ILE 57 - HG12 ILE 71 lone 0 44 - 0 - HG12 ILE 7 - HG12 ILE 71 lone 0 41 - 0 - Peak 5189 from cnoeabs.peaks (1.68, 1.68, 28.78 ppm; diagonal): 9 out of 9 assignments used, quality = 1.00: HD3 LYS 43 + HD3 LYS 43 OK 100 100 - 100 HD3 LYS 73 + HD3 LYS 73 OK 100 100 - 100 HD2 LYS 73 + HD2 LYS 73 OK 100 100 - 100 HD3 LYS 20 + HD3 LYS 20 OK 99 99 - 100 HD2 LYS 20 + HD2 LYS 20 OK 98 98 - 100 HD3 LYS 96 + HD3 LYS 96 OK 96 96 - 100 HD2 LYS 43 + HD2 LYS 43 OK 94 94 - 100 HD2 LYS 96 + HD2 LYS 96 OK 94 94 - 100 HG12 ILE 71 + HG12 ILE 71 OK 69 69 - 100 Reference assignment not found: HD2 LYS 73 - HD3 LYS 73 Peak 5190 from cnoeabs.peaks (1.68, 1.68, 28.78 ppm; diagonal): 9 out of 9 assignments used, quality = 1.00: HD3 LYS 43 + HD3 LYS 43 OK 100 100 - 100 * HD3 LYS 73 + HD3 LYS 73 OK 100 100 - 100 HD2 LYS 73 + HD2 LYS 73 OK 100 100 - 100 HD3 LYS 20 + HD3 LYS 20 OK 99 99 - 100 HD2 LYS 20 + HD2 LYS 20 OK 97 97 - 100 HD3 LYS 96 + HD3 LYS 96 OK 96 96 - 100 HD2 LYS 43 + HD2 LYS 43 OK 95 95 - 100 HD2 LYS 96 + HD2 LYS 96 OK 94 94 - 100 HG12 ILE 71 + HG12 ILE 71 OK 67 67 - 100 Peak 5191 from cnoeabs.peaks (2.98, 1.68, 28.78 ppm; 2.56 A): 12 out of 126 assignments used, quality = 1.00: * HE2 LYS 73 + HD3 LYS 73 OK 81 100 - 81 - 2.9=68, 5197/3.0=5...(17) HE2 LYS 73 + HD2 LYS 73 OK 81 100 - 81 - 2.9=68, 5197/3.0=5...(17) HE3 LYS 73 + HD3 LYS 73 OK 79 99 - 80 - 2.9=68, 5197/3.0=4...(17) HE3 LYS 73 + HD2 LYS 73 OK 79 99 - 80 - 2.9=68, 5197/3.0=4...(17) HE2 LYS 43 + HD3 LYS 43 OK 77 100 - 77 - 3.0=64, 3.9/3846=4...(18) HE2 LYS 43 + HD2 LYS 43 OK 75 97 - 78 - 3.0=64, 3.9/3846=4...(18) HE3 LYS 43 + HD3 LYS 43 OK 74 97 - 76 - 3.0=64, 3.9/3846=4...(15) HE3 LYS 43 + HD2 LYS 43 OK 71 93 - 76 - 3.0=64, 3.9/3846=4...(15) HE3 LYS 20 + HD3 LYS 20 OK 50 64 - 78 - 3.0=64, 3.9/3079=3...(17) HE2 LYS 20 + HD3 LYS 20 OK 50 64 - 78 - 3.0=64, 3.9/3079=3...(17) HE2 LYS 20 + HD2 LYS 20 OK 49 62 - 78 - 3.0=64, 3.9/3079=3...(17) HE3 LYS 20 + HD2 LYS 20 OK 49 62 - 78 - 3.0=64, 3.9/3079=3...(17) HE2 LYS 43 - HD3 LYS 20 OK 21 99 - 21 - 5198/3.0=1, 3884/3.0=1 HE2 LYS 43 - HD2 LYS 20 OK 21 98 - 21 - 5198/3.0=1, 3884/3.0=1 HE2 LYS 73 - HD3 LYS 20 OK 20 99 - 20 - 5198/3.0=1, 3884/3.0=1 HE2 LYS 73 - HD2 LYS 20 OK 20 99 - 20 - 5198/3.0=1, 3884/3.0=1 HE3 LYS 43 - HD3 LYS 20 OK 18 96 - 19 - 5198/3.0=1, 3884/3.0=1 HE3 LYS 43 - HD2 LYS 20 OK 18 94 - 19 - 5198/3.0=1, 3884/3.0=1 HE3 LYS 73 - HD3 LYS 20 OK 18 98 - 18 - 5198/3.0=1 HE3 LYS 73 - HD2 LYS 20 OK 17 97 - 18 - 5198/3.0=1 HE2 LYS 43 - HD3 LYS 73 OK 16 100 - 16 - 5197/3.0=2, 5171/3.0=1 HE2 LYS 43 - HD2 LYS 73 OK 16 100 - 16 - 5197/3.0=2, 5171/3.0=1 HE3 LYS 43 - HD3 LYS 73 OK 14 97 - 15 - 5197/3.0=1, 5171/3.0=1 HE3 LYS 43 - HD2 LYS 73 OK 14 97 - 15 - 5197/3.0=1, 5171/3.0=1 HE2 LYS 73 - HD3 LYS 43 OK 13 100 - 13 - 3848/2.9=1 HE2 LYS 73 - HD2 LYS 43 OK 13 97 - 13 - 3848/2.9=1 HE3 LYS 73 - HD3 LYS 43 OK 12 99 - 12 - 3848/2.9=1 HE3 LYS 73 - HD2 LYS 43 OK 11 95 - 12 - 3848/2.9=1 HE2 LYS 40 - HD3 LYS 20 poor 8 79 - 11 - HE2 LYS 40 - HD2 LYS 20 poor 8 77 - 11 - HE2 LYS 20 - HD3 LYS 73 poor 8 65 - 12 - HE3 LYS 20 - HD3 LYS 73 poor 8 65 - 12 - HE2 LYS 20 - HD2 LYS 73 poor 8 65 - 12 - HE3 LYS 20 - HD2 LYS 73 poor 8 65 - 12 - HE3 LYS 40 - HD3 LYS 20 poor 8 71 - 11 - HE2 LYS 20 - HD3 LYS 43 poor 8 65 - 12 - 3.9/3069=1 HE3 LYS 20 - HD3 LYS 43 poor 8 65 - 12 - 3.9/3069=1 HE3 LYS 40 - HD2 LYS 20 poor 8 70 - 11 - HE2 LYS 40 - HD3 LYS 43 lone 7 81 - 9 - HE2 LYS 73 - HD3 LYS 96 lone 7 97 - 8 - HE2 LYS 73 - HD2 LYS 96 lone 7 95 - 8 - HE2 LYS 40 - HD2 LYS 43 lone 7 75 - 9 - HE2 LYS 20 - HD2 LYS 43 poor 7 61 - 12 - 3.9/3069=1 HE3 LYS 20 - HD2 LYS 43 poor 7 61 - 12 - 3.9/3069=1 HE3 LYS 40 - HD3 LYS 43 lone 7 73 - 9 - HE3 LYS 73 - HD3 LYS 96 lone 7 94 - 7 - HE3 LYS 73 - HD2 LYS 96 lone 7 93 - 7 - HE3 LYS 40 - HD2 LYS 43 lone 6 68 - 9 - HE2 LYS 43 - HD3 LYS 96 lone 6 96 - 6 - HE2 LYS 43 - HD2 LYS 96 lone 6 95 - 6 - HE3 LYS 43 - HD3 LYS 96 lone 6 91 - 6 - HE3 LYS 43 - HD2 LYS 96 lone 6 90 - 6 - HE2 LYS 40 - HD3 LYS 73 lone 4 81 - 5 - HE2 LYS 40 - HD2 LYS 73 lone 4 80 - 5 - HE2 LYS 20 - HD3 LYS 96 lone 4 59 - 6 - HE3 LYS 20 - HD3 LYS 96 lone 4 59 - 6 - HE2 LYS 20 - HD2 LYS 96 lone 4 58 - 6 - HE3 LYS 20 - HD2 LYS 96 lone 4 58 - 6 - HE3 LYS 40 - HD3 LYS 73 lone 4 73 - 5 - HE3 LYS 40 - HD2 LYS 73 lone 4 73 - 5 - HE3 LYS 39 - HD3 LYS 73 lone 3 100 - 3 - HE3 LYS 39 - HD2 LYS 73 lone 3 100 - 3 - HE2 LYS 39 - HD3 LYS 73 lone 3 100 - 3 - HE2 LYS 39 - HD2 LYS 73 lone 3 100 - 3 - HE2 LYS 40 - HD3 LYS 96 lone 3 74 - 4 - HE2 LYS 40 - HD2 LYS 96 lone 3 72 - 4 - HE3 LYS 39 - HD3 LYS 96 lone 3 96 - 3 - HE3 LYS 39 - HD2 LYS 96 lone 3 95 - 3 - HE2 LYS 39 - HD3 LYS 96 lone 3 96 - 3 - HE2 LYS 39 - HD2 LYS 96 lone 3 94 - 3 - HE3 LYS 40 - HD3 LYS 96 lone 3 67 - 4 - HE3 LYS 39 - HD3 LYS 43 lone 3 100 - 3 - HE3 LYS 40 - HD2 LYS 96 lone 3 65 - 4 - HE2 LYS 39 - HD3 LYS 43 lone 3 100 - 3 - HE3 LYS 39 - HD2 LYS 43 lone 3 97 - 3 - HE3 LYS 39 - HD3 LYS 20 lone 3 99 - 2 - HE2 LYS 39 - HD2 LYS 43 lone 3 97 - 3 - HE3 LYS 39 - HD2 LYS 20 lone 3 99 - 2 - HE2 LYS 39 - HD3 LYS 20 lone 3 99 - 2 - HE2 LYS 39 - HD2 LYS 20 lone 2 98 - 2 - HD3 ARG 118 - HD3 LYS 20 lone 1 88 - 1 - HD3 ARG 118 - HD2 LYS 20 lone 1 86 - 1 - HE2 LYS 73 - HG12 ILE 71 lone 1 78 - 1 - HE3 LYS 73 - HG12 ILE 71 lone 1 75 - 1 - HD3 ARG 118 - HD3 LYS 73 lone 0 90 - 0 - HD3 ARG 118 - HD2 LYS 73 lone 0 89 - 0 - HE2 LYS 43 - HG12 ILE 71 lone 0 78 - 0 - HD3 ARG 118 - HD3 LYS 43 lone 0 90 - 0 - HB2 ASN 24 - HD3 LYS 73 lone 0 77 - 0 - HB3 ASN 24 - HD3 LYS 73 lone 0 77 - 0 - HD3 ARG 118 - HD2 LYS 43 lone 0 84 - 0 - HB2 ASN 24 - HD2 LYS 73 lone 0 77 - 0 - HB3 ASN 24 - HD2 LYS 73 lone 0 77 - 0 - HE3 LYS 43 - HG12 ILE 71 lone 0 73 - 0 - HB2 ASN 24 - HD3 LYS 20 lone 0 75 - 0 - HB3 ASN 24 - HD3 LYS 20 lone 0 75 - 0 - HE3 LYS 39 - HG12 ILE 71 lone 0 78 - 0 - HB3 ASN 24 - HD3 LYS 43 lone 0 77 - 0 - HB2 ASN 24 - HD3 LYS 43 lone 0 77 - 0 - HB3 ASN 24 - HD2 LYS 20 lone 0 74 - 0 - HB2 ASN 24 - HD2 LYS 20 lone 0 74 - 0 - HE2 LYS 39 - HG12 ILE 71 lone 0 77 - 0 - HB2 ASN 24 - HD2 LYS 43 lone 0 72 - 0 - HB3 ASN 24 - HD2 LYS 43 lone 0 72 - 0 - HD3 ARG 118 - HD3 LYS 96 lone 0 83 - 0 - HD3 ARG 118 - HD2 LYS 96 lone 0 81 - 0 - HB3 PHE 51 - HD3 LYS 73 lone 0 77 - 0 - HB3 PHE 51 - HD2 LYS 73 lone 0 77 - 0 - HB3 PHE 51 - HD3 LYS 43 lone 0 77 - 0 - HB3 PHE 51 - HD3 LYS 20 lone 0 75 - 0 - HB3 PHE 51 - HD2 LYS 43 lone 0 72 - 0 - HB3 PHE 51 - HD2 LYS 20 lone 0 74 - 0 - HB2 ASN 24 - HD3 LYS 96 lone 0 71 - 0 - HB3 ASN 24 - HD3 LYS 96 lone 0 71 - 0 - HB3 ASN 24 - HD2 LYS 96 lone 0 69 - 0 - HB2 ASN 24 - HD2 LYS 96 lone 0 69 - 0 - HE3 LYS 20 - HG12 ILE 71 lone 0 44 - 0 - HE2 LYS 20 - HG12 ILE 71 lone 0 44 - 0 - HB3 PHE 51 - HD3 LYS 96 lone 0 71 - 0 - HE2 LYS 40 - HG12 ILE 71 lone 0 56 - 0 - HD3 ARG 118 - HG12 ILE 71 lone 0 64 - 0 - HB3 PHE 51 - HD2 LYS 96 lone 0 69 - 0 - HE3 LYS 40 - HG12 ILE 71 lone 0 50 - 0 - HB3 ASN 24 - HG12 ILE 71 lone 0 53 - 0 - HB2 ASN 24 - HG12 ILE 71 lone 0 53 - 0 - HB3 PHE 51 - HG12 ILE 71 lone 0 53 - 0 - Peak 5192 from cnoeabs.peaks (2.98, 1.68, 28.78 ppm; 2.54 A): 12 out of 126 assignments used, quality = 1.00: HE2 LYS 73 + HD3 LYS 73 OK 79 99 - 79 - 2.9=66, 5197/3.0=5...(17) HE2 LYS 73 + HD2 LYS 73 OK 78 99 - 79 - 2.9=66, 5197/3.0=5...(17) * HE3 LYS 73 + HD3 LYS 73 OK 78 100 - 78 - 2.9=66, 5197/3.0=4...(17) HE3 LYS 73 + HD2 LYS 73 OK 78 100 - 78 - 2.9=66, 5197/3.0=4...(17) HE2 LYS 43 + HD3 LYS 43 OK 76 100 - 76 - 3.0=62, 3.9/3846=3...(16) HE3 LYS 43 + HD3 LYS 43 OK 75 100 - 75 - 3.0=62, 3.9/3846=3...(14) HE2 LYS 43 + HD2 LYS 43 OK 74 97 - 76 - 3.0=62, 3.9/3846=4...(16) HE3 LYS 43 + HD2 LYS 43 OK 73 97 - 75 - 3.0=62, 3.9/3846=4...(14) HE3 LYS 20 + HD3 LYS 20 OK 63 82 - 77 - 3.0=62, 3.9/3079=3...(17) HE2 LYS 20 + HD3 LYS 20 OK 63 82 - 77 - 3.0=62, 3.9/3079=3...(17) HE2 LYS 20 + HD2 LYS 20 OK 62 80 - 77 - 3.0=62, 3.9/3079=3...(17) HE3 LYS 20 + HD2 LYS 20 OK 62 80 - 77 - 3.0=62, 3.9/3079=3...(17) HE2 LYS 43 - HD3 LYS 20 OK 20 99 - 21 - 5198/3.0=1, 3884/3.0=1 HE2 LYS 43 - HD2 LYS 20 OK 20 98 - 21 - 5198/3.0=1, 3884/3.0=1 HE2 LYS 73 - HD3 LYS 20 OK 19 98 - 20 - 5198/3.0=1 HE2 LYS 73 - HD2 LYS 20 OK 19 97 - 20 - 5198/3.0=1 HE3 LYS 43 - HD3 LYS 20 OK 18 99 - 19 - 5198/3.0=1, 3884/3.0=1 HE3 LYS 43 - HD2 LYS 20 OK 18 98 - 19 - 5198/3.0=1, 3884/3.0=1 HE3 LYS 73 - HD3 LYS 20 OK 18 99 - 18 - 5198/3.0=1 HE3 LYS 73 - HD2 LYS 20 OK 17 99 - 18 - 5198/3.0=1 HE2 LYS 43 - HD3 LYS 73 OK 15 100 - 15 - 5197/3.0=2, 5171/3.0=1 HE2 LYS 43 - HD2 LYS 73 OK 15 100 - 15 - 5197/3.0=2, 5171/3.0=1 HE3 LYS 43 - HD3 LYS 73 OK 14 100 - 15 - 5197/3.0=1, 5171/3.0=1 HE3 LYS 43 - HD2 LYS 73 OK 14 100 - 15 - 5197/3.0=1, 5171/3.0=1 HE2 LYS 73 - HD3 LYS 43 OK 12 99 - 13 - 3848/2.9=1 HE2 LYS 73 - HD2 LYS 43 OK 12 95 - 13 - 3848/2.9=1 HE3 LYS 73 - HD3 LYS 43 OK 12 100 - 12 - 3848/2.9=1 HE3 LYS 73 - HD2 LYS 43 OK 11 97 - 12 - 3848/2.9=1 HE2 LYS 40 - HD3 LYS 20 poor 10 92 - 11 - HE2 LYS 20 - HD3 LYS 73 poor 10 84 - 12 - HE3 LYS 20 - HD3 LYS 73 poor 10 84 - 12 - HE2 LYS 20 - HD2 LYS 73 poor 10 84 - 12 - HE3 LYS 20 - HD2 LYS 73 poor 10 84 - 12 - HE2 LYS 40 - HD2 LYS 20 poor 10 91 - 11 - HE2 LYS 20 - HD3 LYS 43 poor 10 84 - 12 - 3.9/3069=1 HE3 LYS 20 - HD3 LYS 43 poor 10 84 - 12 - 3.9/3069=1 HE3 LYS 40 - HD3 LYS 20 poor 10 88 - 11 - HE3 LYS 40 - HD2 LYS 20 poor 10 86 - 11 - HE2 LYS 20 - HD2 LYS 43 poor 9 78 - 12 - HE3 LYS 20 - HD2 LYS 43 poor 9 78 - 12 - HE2 LYS 40 - HD3 LYS 43 lone 9 94 - 9 - HE3 LYS 40 - HD3 LYS 43 lone 8 90 - 9 - HE2 LYS 40 - HD2 LYS 43 lone 8 89 - 9 - HE3 LYS 40 - HD2 LYS 43 lone 8 84 - 9 - HE2 LYS 73 - HD3 LYS 96 lone 7 94 - 7 - HE2 LYS 73 - HD2 LYS 96 lone 7 93 - 7 - HE3 LYS 73 - HD3 LYS 96 lone 7 97 - 7 - HE3 LYS 73 - HD2 LYS 96 lone 7 95 - 7 - HE2 LYS 43 - HD3 LYS 96 lone 6 96 - 6 - HE2 LYS 43 - HD2 LYS 96 lone 6 94 - 6 - HE3 LYS 43 - HD3 LYS 96 lone 6 96 - 6 - HE3 LYS 43 - HD2 LYS 96 lone 6 95 - 6 - HE2 LYS 20 - HD3 LYS 96 lone 5 77 - 7 - HE3 LYS 20 - HD3 LYS 96 lone 5 77 - 7 - HE2 LYS 20 - HD2 LYS 96 lone 5 76 - 7 - HE3 LYS 20 - HD2 LYS 96 lone 5 76 - 7 - HE2 LYS 40 - HD3 LYS 73 lone 5 94 - 5 - HE2 LYS 40 - HD2 LYS 73 lone 5 94 - 5 - HE3 LYS 40 - HD3 LYS 73 lone 5 90 - 5 - HE3 LYS 40 - HD2 LYS 73 lone 5 89 - 5 - HE2 LYS 40 - HD3 LYS 96 lone 4 88 - 4 - HE2 LYS 40 - HD2 LYS 96 lone 4 86 - 4 - HE3 LYS 40 - HD3 LYS 96 lone 4 83 - 4 - HE3 LYS 40 - HD2 LYS 96 lone 4 81 - 4 - HE2 LYS 39 - HD3 LYS 73 lone 3 100 - 3 - HE2 LYS 39 - HD2 LYS 73 lone 3 100 - 3 - HE3 LYS 39 - HD3 LYS 73 lone 3 99 - 3 - HE3 LYS 39 - HD2 LYS 73 lone 3 99 - 3 - HE2 LYS 39 - HD3 LYS 96 lone 3 96 - 3 - HE3 LYS 39 - HD3 LYS 96 lone 3 95 - 3 - HE2 LYS 39 - HD2 LYS 96 lone 3 95 - 3 - HE3 LYS 39 - HD2 LYS 96 lone 3 94 - 3 - HE3 LYS 39 - HD3 LYS 43 lone 3 99 - 3 - HE2 LYS 39 - HD3 LYS 43 lone 3 100 - 2 - HE2 LYS 39 - HD2 LYS 43 lone 2 97 - 2 - HE3 LYS 39 - HD2 LYS 43 lone 2 96 - 2 - HE3 LYS 39 - HD3 LYS 20 lone 2 98 - 2 - HE2 LYS 39 - HD3 LYS 20 lone 2 99 - 2 - HE3 LYS 39 - HD2 LYS 20 lone 2 97 - 2 - HE2 LYS 39 - HD2 LYS 20 lone 2 98 - 2 - HD3 ARG 118 - HD3 LYS 20 lone 2 97 - 2 - HD3 ARG 118 - HD2 LYS 20 lone 2 96 - 2 - HE3 LYS 73 - HG12 ILE 71 lone 1 78 - 1 - HE2 LYS 73 - HG12 ILE 71 lone 1 75 - 1 - HD3 ARG 118 - HD3 LYS 73 lone 0 98 - 0 - HD3 ARG 118 - HD2 LYS 73 lone 0 98 - 0 - HB3 ASN 24 - HD3 LYS 20 lone 0 90 - 0 - HB2 ASN 24 - HD3 LYS 20 lone 0 90 - 0 - HB3 ASN 24 - HD2 LYS 20 lone 0 89 - 0 - HB2 ASN 24 - HD2 LYS 20 lone 0 89 - 0 - HB2 ASN 24 - HD3 LYS 73 lone 0 92 - 0 - HB3 ASN 24 - HD3 LYS 73 lone 0 92 - 0 - HB2 ASN 24 - HD2 LYS 73 lone 0 92 - 0 - HB3 ASN 24 - HD2 LYS 73 lone 0 92 - 0 - HD3 ARG 118 - HD3 LYS 43 lone 0 98 - 0 - HB2 ASN 24 - HD3 LYS 43 lone 0 92 - 0 - HB3 ASN 24 - HD3 LYS 43 lone 0 92 - 0 - HD3 ARG 118 - HD2 LYS 43 lone 0 94 - 0 - HB3 ASN 24 - HD2 LYS 43 lone 0 87 - 0 - HB2 ASN 24 - HD2 LYS 43 lone 0 87 - 0 - HE2 LYS 43 - HG12 ILE 71 lone 0 77 - 0 - HE3 LYS 43 - HG12 ILE 71 lone 0 78 - 0 - HE2 LYS 39 - HG12 ILE 71 lone 0 78 - 0 - HB3 PHE 51 - HD3 LYS 73 lone 0 92 - 0 - HB3 PHE 51 - HD2 LYS 73 lone 0 92 - 0 - HB3 PHE 51 - HD3 LYS 43 lone 0 92 - 0 - HE3 LYS 39 - HG12 ILE 71 lone 0 77 - 0 - HD3 ARG 118 - HD3 LYS 96 lone 0 93 - 0 - HB3 PHE 51 - HD3 LYS 20 lone 0 90 - 0 - HD3 ARG 118 - HD2 LYS 96 lone 0 91 - 0 - HB3 PHE 51 - HD2 LYS 20 lone 0 89 - 0 - HB3 PHE 51 - HD2 LYS 43 lone 0 87 - 0 - HE2 LYS 20 - HG12 ILE 71 lone 0 59 - 0 - HE3 LYS 20 - HG12 ILE 71 lone 0 59 - 0 - HB3 ASN 24 - HD3 LYS 96 lone 0 86 - 0 - HB2 ASN 24 - HD3 LYS 96 lone 0 86 - 0 - HB3 ASN 24 - HD2 LYS 96 lone 0 84 - 0 - HB2 ASN 24 - HD2 LYS 96 lone 0 84 - 0 - HE2 LYS 40 - HG12 ILE 71 lone 0 69 - 0 - HB3 PHE 51 - HD3 LYS 96 lone 0 86 - 0 - HB3 PHE 51 - HD2 LYS 96 lone 0 84 - 0 - HE3 LYS 40 - HG12 ILE 71 lone 0 64 - 0 - HD3 ARG 118 - HG12 ILE 71 lone 0 74 - 0 - HB2 ASN 24 - HG12 ILE 71 lone 0 67 - 0 - HB3 ASN 24 - HG12 ILE 71 lone 0 67 - 0 - HB3 PHE 51 - HG12 ILE 71 lone 0 67 - 0 - Peak 5194 from cnoeabs.peaks (4.29, 2.98, 41.78 ppm; 6.20 A): 3 out of 28 assignments used, quality = 1.00: * HA LYS 73 + HE2 LYS 73 OK 99 100 - 99 - 6.5=88, 5128/3.8=30...(68) HA LYS 73 + HE3 LYS 73 OK 96 97 - 99 - 6.5=88, 5128/3.8=30...(67) HA LYS 73 + HE2 LYS 43 OK 48 100 - 49 - 3.8/5171=5, 3.8/5197=5...(13) HA LYS 73 - HE3 LYS 43 OK 44 93 - 48 - 3.8/5171=5, 3.8/5161=5...(14) HA LYS 73 - HE3 LYS 39 OK 11 100 - 11 - 3.8/5171=1, 3.8/5161=1 HA LYS 73 - HE2 LYS 39 OK 11 99 - 11 - 3.8/5171=1, 3.8/5161=1 HA LYS 73 - HE2 LYS 40 OK 10 63 - 16 - 3.8/5172=1, 3.8/5162=1 HA LEU 127 - HE2 LYS 73 lone 2 94 - 3 - HA LEU 127 - HE2 LYS 43 lone 2 93 - 3 - HA LEU 127 - HE3 LYS 73 lone 2 89 - 3 - HA LEU 127 - HE3 LYS 39 lone 2 94 - 2 - HA LEU 127 - HE2 LYS 39 lone 2 92 - 2 - HA LEU 127 - HE3 LYS 43 lone 2 84 - 3 - HA ASP 12 - HE2 LYS 43 lone 2 65 - 3 - HA ASP 12 - HE3 LYS 43 lone 2 56 - 3 - HA LEU 127 - HE2 LYS 40 lone 2 54 - 3 - HA GLN 100 - HE2 LYS 73 lone 2 61 - 2 - HA GLN 100 - HE3 LYS 73 lone 1 57 - 2 - HA GLN 100 - HE2 LYS 43 lone 1 61 - 2 - HA ASP 12 - HE2 LYS 73 lone 1 65 - 2 - HA ASP 12 - HE3 LYS 39 lone 1 65 - 2 - HA ASP 12 - HE2 LYS 39 lone 1 64 - 2 - HA ASP 12 - HE3 LYS 73 lone 1 61 - 2 - HA GLN 100 - HE3 LYS 43 lone 1 52 - 2 - HA GLN 100 - HE3 LYS 39 lone 1 61 - 2 - HA GLN 100 - HE2 LYS 39 lone 1 60 - 2 - HA ASP 12 - HE2 LYS 40 lone 1 34 - 2 - HA GLN 100 - HE2 LYS 40 lone 1 31 - 2 - Peak 5195 from cnoeabs.peaks (1.90, 2.98, 41.78 ppm; 3.44 A): 8 out of 147 assignments used, quality = 1.00: * HB2 LYS 73 + HE2 LYS 73 OK 81 100 - 81 - 4.9=35, 2.9/5197=9...(34) HB3 LYS 73 + HE2 LYS 73 OK 81 100 - 81 - 4.9=35, 2.9/5197=9...(34) HB2 LYS 73 + HE3 LYS 73 OK 78 97 - 80 - 4.9=35, 2.9/5197=8...(32) HB3 LYS 73 + HE3 LYS 73 OK 78 97 - 80 - 4.9=35, 2.9/5197=8...(32) HB3 LYS 43 + HE2 LYS 43 OK 78 98 - 80 - 4.7=40, 3.0/3848=6...(42) HB3 LYS 43 + HE3 LYS 43 OK 70 89 - 78 - 4.7=40, 3.0/3848=6...(40) HB2 LYS 43 + HE2 LYS 43 OK 69 86 - 80 - 4.7=40, 3.0/3848=6...(42) HB2 LYS 43 + HE3 LYS 43 OK 61 76 - 79 - 4.7=40, 3.0/3848=6...(40) HB3 LYS 20 - HE2 LYS 43 OK 40 98 - 41 - 2.9/5198=2, 2.9/3884=2...(10) HB2 LYS 20 - HE2 LYS 43 OK 40 98 - 41 - 2.9/5198=2, 2.9/3884=2...(10) HB3 LYS 20 - HE2 LYS 73 OK 38 99 - 39 - 2.9/5198=2, 2.9/3884=2...(8) HB2 LYS 20 - HE2 LYS 73 OK 38 99 - 39 - 2.9/5198=2, 2.9/3884=2...(8) HB2 LYS 73 - HE2 LYS 43 OK 34 100 - 35 - 2.9/5197=3, 2.9/5171=3...(10) HB3 LYS 20 - HE3 LYS 73 OK 34 95 - 36 - 2.9/5198=2, 2.9/3884=2...(9) HB2 LYS 20 - HE3 LYS 73 OK 34 95 - 36 - 2.9/5198=2, 2.9/3884=2...(9) HB3 LYS 73 - HE2 LYS 43 OK 34 100 - 35 - 2.9/5197=3, 2.9/5171=3...(10) HB3 LYS 20 - HE3 LYS 43 OK 34 91 - 38 - 2.9/5198=2, 2.9/3884=2...(8) HB2 LYS 20 - HE3 LYS 43 OK 34 91 - 38 - 2.9/5198=2, 2.9/3884=2...(8) HB2 LYS 73 - HE3 LYS 43 OK 31 93 - 34 - 2.9/5171=3, 2.9/5197=3...(11) HB3 LYS 73 - HE3 LYS 43 OK 31 93 - 34 - 2.9/5171=3, 2.9/5197=3...(11) HB3 LYS 43 - HE2 LYS 73 OK 27 98 - 28 - 3.0/3848=2, 3.0/3885=2...(5) HB3 LYS 43 - HE3 LYS 73 OK 25 94 - 26 - 3.0/3848=2, 3.0/3885=1...(5) HB2 LYS 43 - HE2 LYS 73 OK 25 87 - 28 - 3.0/3848=2, 3.0/3885=2...(5) HB2 LYS 43 - HE3 LYS 73 OK 22 82 - 27 - 3.0/3848=2, 3.0/3885=1...(5) HB2 LYS 96 - HE2 LYS 73 OK 14 98 - 14 - HB2 LYS 96 - HE3 LYS 73 OK 13 94 - 14 - HB3 LYS 20 - HE2 LYS 40 OK 13 60 - 21 - HB2 LYS 20 - HE2 LYS 40 OK 13 60 - 21 - HB2 LYS 96 - HE2 LYS 43 OK 12 98 - 12 - HB3 LYS 16 - HE2 LYS 40 OK 11 44 - 26 - 2744/3.9=1, ~6530=1...(4) HB2 LYS 96 - HE3 LYS 43 OK 11 89 - 12 - HB2 LYS 16 - HE2 LYS 40 OK 11 41 - 26 - 2744/3.9=1, ~6530=1...(4) HB3 LYS 44 - HE3 LYS 39 OK 11 89 - 12 - HB3 LYS 44 - HE2 LYS 39 OK 10 88 - 12 - HB3 LYS 44 - HE2 LYS 43 poor 10 89 - 11 - HB3 LYS 43 - HE2 LYS 40 poor 10 59 - 16 - 3.0/3849=1, 8066/6.4=1 HB3 LYS 44 - HE3 LYS 43 poor 9 79 - 11 - HB2 LYS 44 - HE3 LYS 39 poor 9 73 - 12 - HB2 LYS 44 - HE2 LYS 39 poor 9 71 - 12 - HB2 LYS 44 - HE2 LYS 43 poor 9 73 - 12 - HB3 LYS 44 - HE2 LYS 73 lone 9 90 - 10 - HB2 LYS 43 - HE2 LYS 40 poor 8 48 - 17 - 3.0/3849=1, 8066/6.4=1 HB3 LYS 44 - HE3 LYS 73 lone 8 84 - 9 - HB2 LYS 96 - HE3 LYS 39 lone 8 98 - 8 - HB2 LYS 96 - HE2 LYS 39 lone 8 97 - 8 - HB2 LYS 44 - HE3 LYS 43 poor 8 63 - 12 - HB2 LYS 44 - HE2 LYS 73 lone 7 73 - 10 - HB2 LYS 73 - HE3 LYS 39 lone 7 100 - 7 - HB3 LYS 73 - HE3 LYS 39 lone 7 100 - 7 - HB2 LYS 73 - HE2 LYS 39 lone 7 99 - 7 - HB3 LYS 73 - HE2 LYS 39 lone 7 99 - 7 - HB2 LYS 44 - HE3 LYS 73 lone 7 68 - 10 - HB2 LYS 73 - HE2 LYS 40 lone 6 63 - 10 - HB3 LYS 73 - HE2 LYS 40 lone 6 63 - 9 - HB3 LYS 43 - HE3 LYS 39 lone 6 98 - 6 - HB2 LYS 96 - HE2 LYS 40 poor 6 59 - 10 - 8066/6.4=1 HB3 LYS 43 - HE2 LYS 39 lone 6 97 - 6 - HB2 LYS 43 - HE3 LYS 39 lone 5 87 - 6 - HB2 LYS 43 - HE2 LYS 39 lone 5 85 - 6 - HB2 LYS 20 - HE3 LYS 39 lone 5 99 - 5 - HB3 LYS 20 - HE3 LYS 39 lone 5 99 - 5 - HB2 LYS 20 - HE2 LYS 39 lone 5 98 - 5 - HB3 LYS 20 - HE2 LYS 39 lone 5 98 - 5 - HB2 LEU 45 - HE2 LYS 73 lone 4 94 - 4 - HB2 LEU 45 - HE3 LYS 73 lone 4 89 - 4 - HB3 LYS 16 - HE2 LYS 73 lone 3 81 - 4 - HB2 LYS 16 - HE2 LYS 73 lone 3 77 - 4 - HB3 LYS 16 - HE3 LYS 73 lone 3 75 - 4 - HB3 LYS 123 - HE3 LYS 39 lone 3 61 - 5 - HG LEU 45 - HE2 LYS 73 lone 3 84 - 3 - HB2 LYS 16 - HE3 LYS 73 lone 3 72 - 4 - HB3 LYS 123 - HE2 LYS 39 lone 3 60 - 5 - HG LEU 45 - HE3 LYS 73 lone 3 78 - 3 - HB ILE 71 - HE2 LYS 73 lone 2 100 - 2 - HB2 LEU 45 - HE2 LYS 43 lone 2 93 - 2 - HB ILE 71 - HE3 LYS 73 lone 2 97 - 2 - HB2 ARG 95 - HE2 LYS 73 lone 2 100 - 2 - HB2 ARG 95 - HE2 LYS 40 lone 2 62 - 3 - 7789/7.5=1 HB2 ARG 95 - HE3 LYS 73 lone 2 97 - 2 - HG LEU 45 - HE2 LYS 43 lone 2 83 - 2 - HB2 LEU 45 - HE3 LYS 43 lone 2 84 - 2 - HG LEU 45 - HE3 LYS 43 lone 2 73 - 2 - HB2 ARG 95 - HE2 LYS 43 lone 2 100 - 2 - HB2 ARG 95 - HE3 LYS 43 lone 2 93 - 2 - HB3 LYS 16 - HE2 LYS 43 lone 1 80 - 2 - HB2 LYS 16 - HE2 LYS 43 lone 1 76 - 2 - HB3 LYS 16 - HE3 LYS 43 lone 1 70 - 2 - HB2 LYS 16 - HE3 LYS 43 lone 1 67 - 2 - HB3 LYS 44 - HE2 LYS 40 lone 1 50 - 2 - HB2 ARG 95 - HE2 LYS 39 lone 1 99 - 1 - HB2 ARG 95 - HE3 LYS 39 lone 1 100 - 1 - HG2 ARG 95 - HE2 LYS 73 lone 1 61 - 1 - HB2 LYS 44 - HE2 LYS 40 lone 1 39 - 2 - HB3 LYS 16 - HE3 LYS 39 lone 1 80 - 1 - HB3 LYS 16 - HE2 LYS 39 lone 1 79 - 1 - HB2 LYS 16 - HE3 LYS 39 lone 1 77 - 1 - HB2 LYS 16 - HE2 LYS 39 lone 1 75 - 1 - HG2 ARG 95 - HE2 LYS 43 lone 1 61 - 1 - HG2 ARG 95 - HE3 LYS 73 lone 1 57 - 1 - HB3 LYS 123 - HE2 LYS 43 lone 1 61 - 1 - HG2 ARG 95 - HE3 LYS 43 lone 1 52 - 1 - HB ILE 71 - HE3 LYS 39 lone 1 100 - 1 - HB ILE 71 - HE2 LYS 39 lone 1 99 - 1 - HB2 LEU 45 - HE3 LYS 39 lone 1 94 - 1 - HB ILE 71 - HE2 LYS 43 lone 1 100 - 1 - HB2 LEU 45 - HE2 LYS 39 lone 1 92 - 1 - HB ILE 7 - HE3 LYS 39 lone 1 100 - 1 - HB ILE 7 - HE2 LYS 39 lone 1 99 - 1 - HB ILE 71 - HE3 LYS 43 lone 1 93 - 1 - HB3 LYS 123 - HE3 LYS 43 lone 1 52 - 1 - HB2 LYS 49 - HE3 LYS 39 lone 0 99 - 0 - HG LEU 45 - HE3 LYS 39 lone 1 84 - 1 - HB2 LYS 49 - HE2 LYS 39 lone 0 98 - 0 - HB3 LYS 123 - HE2 LYS 73 lone 1 61 - 1 - HG LEU 45 - HE2 LYS 39 lone 0 82 - 1 - HB2 LYS 49 - HE2 LYS 73 lone 0 99 - 0 - HB2 LYS 49 - HE2 LYS 43 lone 0 99 - 0 - HB ILE 7 - HE2 LYS 43 lone 0 99 - 0 - HB2 LYS 49 - HE3 LYS 73 lone 0 96 - 0 - HB ILE 7 - HE2 LYS 73 lone 0 100 - 0 - HB3 LYS 123 - HE3 LYS 73 lone 0 57 - 1 - HB3 LYS 123 - HE2 LYS 40 lone 0 31 - 2 - HB ILE 7 - HE3 LYS 73 lone 0 97 - 0 - HB2 LYS 49 - HE3 LYS 43 lone 0 92 - 0 - HB2 GLU 128 - HE3 LYS 39 lone 0 98 - 0 - HB2 GLU 128 - HE2 LYS 39 lone 0 97 - 0 - HB2 GLU 128 - HE2 LYS 73 lone 0 98 - 0 - HB ILE 7 - HE3 LYS 43 lone 0 92 - 0 - HB2 GLU 128 - HE3 LYS 73 lone 0 94 - 0 - HB2 GLU 128 - HE2 LYS 43 lone 0 98 - 0 - QE MET 67 - HE3 LYS 39 lone 0 77 - 0 - HB2 GLU 128 - HE3 LYS 43 lone 0 89 - 0 - QE MET 67 - HE2 LYS 39 lone 0 75 - 0 - QE MET 67 - HE2 LYS 73 lone 0 77 - 0 - HG2 ARG 95 - HE3 LYS 39 lone 0 61 - 1 - HG2 ARG 95 - HE2 LYS 39 lone 0 60 - 1 - HB2 GLU 128 - HE2 LYS 40 lone 0 59 - 1 - QE MET 67 - HE3 LYS 73 lone 0 72 - 0 - HB2 LEU 45 - HE2 LYS 40 lone 0 54 - 1 - HG2 ARG 95 - HE2 LYS 40 lone 0 31 - 1 - HB ILE 71 - HE2 LYS 40 lone 0 63 - 0 - QE MET 67 - HE2 LYS 43 lone 0 76 - 0 - HB2 LYS 49 - HE2 LYS 40 lone 0 61 - 0 - HB ILE 7 - HE2 LYS 40 lone 0 62 - 0 - HG LEU 45 - HE2 LYS 40 lone 0 46 - 1 - QE MET 67 - HE3 LYS 43 lone 0 67 - 0 - QE MET 67 - HE2 LYS 40 lone 0 41 - 0 - Peak 5196 from cnoeabs.peaks (1.89, 2.98, 41.78 ppm; 3.44 A): 8 out of 140 assignments used, quality = 1.00: HB2 LYS 73 + HE2 LYS 73 OK 81 100 - 81 - 4.9=35, 2.9/5197=9...(34) * HB3 LYS 73 + HE2 LYS 73 OK 81 100 - 81 - 4.9=35, 2.9/5197=9...(34) HB2 LYS 73 + HE3 LYS 73 OK 78 97 - 80 - 4.9=35, 2.9/5197=8...(32) HB3 LYS 73 + HE3 LYS 73 OK 78 97 - 80 - 4.9=35, 2.9/5197=8...(32) HB3 LYS 43 + HE2 LYS 43 OK 77 96 - 80 - 4.7=40, 3.0/3848=6...(42) HB3 LYS 43 + HE3 LYS 43 OK 69 88 - 78 - 4.7=40, 3.0/3848=6...(40) HB2 LYS 43 + HE2 LYS 43 OK 67 83 - 80 - 4.7=40, 3.0/3848=6...(42) HB2 LYS 43 + HE3 LYS 43 OK 58 73 - 79 - 4.7=40, 3.0/3848=6...(40) HB2 LYS 20 - HE2 LYS 43 OK 40 99 - 41 - 2.9/5198=2, 2.9/3884=2...(10) HB3 LYS 20 - HE2 LYS 43 OK 40 99 - 41 - 2.9/5198=2, 2.9/3884=2...(10) HB2 LYS 20 - HE2 LYS 73 OK 39 99 - 39 - 2.9/5198=2, 2.9/3884=2...(8) HB3 LYS 20 - HE2 LYS 73 OK 39 99 - 39 - 2.9/5198=2, 2.9/3884=2...(8) HB2 LYS 20 - HE3 LYS 73 OK 35 96 - 36 - 2.9/5198=2, 2.9/3884=2...(9) HB3 LYS 20 - HE3 LYS 73 OK 35 96 - 36 - 2.9/5198=2, 2.9/3884=2...(9) HB2 LYS 73 - HE2 LYS 43 OK 34 100 - 35 - 2.9/5197=3, 2.9/5171=3...(10) HB3 LYS 73 - HE2 LYS 43 OK 34 100 - 35 - 2.9/5197=3, 2.9/5171=3...(10) HB2 LYS 20 - HE3 LYS 43 OK 34 92 - 38 - 2.9/5198=2, 2.9/3884=2...(8) HB3 LYS 20 - HE3 LYS 43 OK 34 92 - 38 - 2.9/5198=2, 2.9/3884=2...(8) HB2 LYS 73 - HE3 LYS 43 OK 31 93 - 34 - 2.9/5171=3, 2.9/5197=3...(11) HB3 LYS 73 - HE3 LYS 43 OK 31 93 - 34 - 2.9/5171=3, 2.9/5197=3...(11) HB3 LYS 43 - HE2 LYS 73 OK 27 97 - 28 - 3.0/3848=2, 3.0/3885=2...(5) HB3 LYS 43 - HE3 LYS 73 OK 24 93 - 26 - 3.0/3848=2, 3.0/3885=1...(5) HB2 LYS 43 - HE2 LYS 73 OK 24 84 - 28 - 3.0/3848=2, 3.0/3885=2...(5) HB2 LYS 43 - HE3 LYS 73 OK 21 78 - 27 - 3.0/3848=2, 3.0/3885=1...(5) HB2 LYS 96 - HE2 LYS 73 OK 14 97 - 14 - HB2 LYS 20 - HE2 LYS 40 OK 13 61 - 21 - HB3 LYS 20 - HE2 LYS 40 OK 13 61 - 21 - HB2 LYS 96 - HE3 LYS 73 OK 13 93 - 14 - HB2 LYS 96 - HE2 LYS 43 OK 12 96 - 12 - HB3 LYS 16 - HE2 LYS 40 OK 12 46 - 26 - 2744/3.9=1, ~6530=1...(6) HB2 LYS 16 - HE2 LYS 40 OK 11 44 - 27 - 2744/3.9=1, ~6530=1...(6) HB2 LYS 96 - HE3 LYS 43 OK 11 88 - 12 - HB3 LYS 44 - HE3 LYS 39 OK 10 87 - 12 - HB3 LYS 44 - HE2 LYS 39 poor 10 85 - 12 - HB3 LYS 44 - HE2 LYS 43 poor 10 86 - 11 - HB3 LYS 43 - HE2 LYS 40 poor 9 58 - 16 - 3.0/3849=1, 8066/6.4=1 HB3 LYS 44 - HE3 LYS 43 poor 8 76 - 11 - HB3 LYS 44 - HE2 LYS 73 lone 8 87 - 9 - HB2 LYS 44 - HE3 LYS 39 poor 8 69 - 12 - HB2 LYS 44 - HE2 LYS 39 poor 8 68 - 12 - HB2 LYS 44 - HE2 LYS 43 poor 8 69 - 12 - HB2 LYS 43 - HE2 LYS 40 poor 8 46 - 17 - 3.0/3849=1, 8066/6.4=1 HB3 LYS 44 - HE3 LYS 73 lone 8 82 - 9 - HB2 LYS 96 - HE3 LYS 39 lone 8 97 - 8 - HB2 LYS 96 - HE2 LYS 39 lone 8 96 - 8 - HB2 LYS 73 - HE3 LYS 39 lone 7 100 - 7 - HB3 LYS 73 - HE3 LYS 39 lone 7 100 - 7 - HB2 LYS 73 - HE2 LYS 39 lone 7 99 - 7 - HB3 LYS 73 - HE2 LYS 39 lone 7 99 - 7 - HB2 LYS 44 - HE3 LYS 43 poor 7 60 - 12 - HB2 LYS 44 - HE2 LYS 73 lone 7 70 - 10 - HB2 LYS 44 - HE3 LYS 73 lone 6 64 - 10 - HB2 LYS 73 - HE2 LYS 40 lone 6 63 - 10 - HB3 LYS 73 - HE2 LYS 40 lone 6 63 - 9 - HB3 LYS 43 - HE3 LYS 39 lone 6 97 - 6 - HB3 LYS 43 - HE2 LYS 39 lone 6 96 - 6 - HB2 LYS 96 - HE2 LYS 40 poor 6 58 - 10 - 8066/6.4=1 HB2 LYS 43 - HE3 LYS 39 lone 5 84 - 6 - HB2 LYS 20 - HE3 LYS 39 lone 5 99 - 5 - HB3 LYS 20 - HE3 LYS 39 lone 5 99 - 5 - HB2 LYS 43 - HE2 LYS 39 lone 5 82 - 6 - HB3 LYS 20 - HE2 LYS 39 lone 5 98 - 5 - HB2 LYS 20 - HE2 LYS 39 lone 5 98 - 5 - HB2 LEU 45 - HE2 LYS 73 lone 4 92 - 4 - HB2 LEU 45 - HE3 LYS 73 lone 4 87 - 4 - HB3 LYS 16 - HE2 LYS 73 lone 3 84 - 4 - HB2 LYS 16 - HE2 LYS 73 lone 3 81 - 4 - HB3 LYS 16 - HE3 LYS 73 lone 3 78 - 4 - HB2 LYS 16 - HE3 LYS 73 lone 3 75 - 4 - HG LEU 45 - HE2 LYS 73 lone 3 87 - 3 - HG LEU 45 - HE3 LYS 73 lone 3 82 - 3 - HB ILE 71 - HE2 LYS 73 lone 2 100 - 2 - HB ILE 71 - HE3 LYS 73 lone 2 97 - 2 - HB2 LEU 45 - HE2 LYS 43 lone 2 91 - 2 - HB2 ARG 95 - HE2 LYS 73 lone 2 100 - 2 - HG LEU 45 - HE2 LYS 43 lone 2 86 - 2 - HB2 ARG 95 - HE2 LYS 40 lone 2 62 - 3 - 7789/7.5=1 HB2 ARG 95 - HE3 LYS 73 lone 2 97 - 2 - HB2 LEU 45 - HE3 LYS 43 lone 2 82 - 2 - HG LEU 45 - HE3 LYS 43 lone 2 76 - 2 - HB2 ARG 95 - HE2 LYS 43 lone 2 99 - 2 - HB2 ARG 95 - HE3 LYS 43 lone 2 92 - 2 - HB3 LYS 16 - HE2 LYS 43 lone 1 83 - 2 - HB2 LYS 16 - HE2 LYS 43 lone 1 80 - 2 - HB3 LYS 16 - HE3 LYS 43 lone 1 73 - 2 - HB2 LYS 16 - HE3 LYS 43 lone 1 70 - 2 - HB3 LYS 44 - HE2 LYS 40 lone 1 48 - 2 - HG2 ARG 95 - HE2 LYS 73 lone 1 65 - 1 - HB2 ARG 95 - HE3 LYS 39 lone 1 100 - 1 - HB2 ARG 95 - HE2 LYS 39 lone 1 99 - 1 - HB3 LYS 16 - HE3 LYS 39 lone 1 84 - 1 - HB2 LYS 16 - HE3 LYS 39 lone 1 80 - 1 - HB3 LYS 16 - HE2 LYS 39 lone 1 82 - 1 - HG2 ARG 95 - HE2 LYS 43 lone 1 65 - 1 - HG2 ARG 95 - HE3 LYS 73 lone 1 61 - 1 - HB2 LYS 16 - HE2 LYS 39 lone 1 79 - 1 - HB2 LYS 44 - HE2 LYS 40 lone 1 36 - 2 - HG2 ARG 95 - HE3 LYS 43 lone 1 56 - 1 - HB ILE 71 - HE3 LYS 39 lone 1 100 - 1 - HB ILE 71 - HE2 LYS 39 lone 1 99 - 1 - HB ILE 71 - HE2 LYS 43 lone 1 100 - 1 - HB ILE 7 - HE3 LYS 39 lone 1 100 - 1 - HB2 LEU 45 - HE3 LYS 39 lone 1 92 - 1 - HB ILE 7 - HE2 LYS 39 lone 1 99 - 1 - HB2 LEU 45 - HE2 LYS 39 lone 1 90 - 1 - HG2 ARG 95 - HE2 LYS 40 lone 1 34 - 2 - HG LEU 45 - HE3 LYS 39 lone 1 87 - 1 - HB ILE 71 - HE3 LYS 43 lone 1 93 - 1 - HG LEU 45 - HE2 LYS 39 lone 1 85 - 1 - HB2 LYS 49 - HE3 LYS 39 lone 0 99 - 0 - HB2 LYS 49 - HE2 LYS 39 lone 0 98 - 0 - HB2 LYS 49 - HE2 LYS 73 lone 0 99 - 0 - HB2 LYS 49 - HE2 LYS 43 lone 0 98 - 0 - HB ILE 7 - HE2 LYS 43 lone 0 100 - 0 - HB ILE 7 - HE2 LYS 73 lone 0 100 - 0 - HB2 LYS 49 - HE3 LYS 73 lone 0 95 - 0 - HB ILE 7 - HE3 LYS 73 lone 0 97 - 0 - HB ILE 7 - HE3 LYS 43 lone 0 93 - 0 - HB2 LYS 49 - HE3 LYS 43 lone 0 91 - 0 - HB2 GLU 128 - HE3 LYS 39 lone 0 97 - 0 - HB2 GLU 128 - HE2 LYS 73 lone 0 97 - 0 - HB2 GLU 128 - HE2 LYS 39 lone 0 96 - 0 - HB2 GLU 128 - HE3 LYS 73 lone 0 93 - 0 - HB2 GLU 128 - HE2 LYS 43 lone 0 96 - 0 - QE MET 67 - HE3 LYS 39 lone 0 80 - 0 - QE MET 67 - HE2 LYS 39 lone 0 79 - 0 - HB2 GLU 128 - HE3 LYS 43 lone 0 88 - 0 - QE MET 67 - HE2 LYS 73 lone 0 81 - 0 - HG2 ARG 95 - HE3 LYS 39 lone 0 65 - 1 - HG2 ARG 95 - HE2 LYS 39 lone 0 64 - 1 - QE MET 67 - HE3 LYS 73 lone 0 75 - 0 - HB2 GLU 128 - HE2 LYS 40 lone 0 58 - 1 - QE MET 67 - HE2 LYS 43 lone 0 80 - 0 - HB ILE 71 - HE2 LYS 40 lone 0 62 - 0 - HB2 LEU 45 - HE2 LYS 40 lone 0 52 - 1 - HB ILE 7 - HE2 LYS 40 lone 0 62 - 0 - HB2 LYS 49 - HE2 LYS 40 lone 0 60 - 0 - HG LEU 45 - HE2 LYS 40 lone 0 48 - 1 - QE MET 67 - HE3 LYS 43 lone 0 70 - 0 - QE MET 67 - HE2 LYS 40 lone 0 44 - 0 - Peak 5197 from cnoeabs.peaks (1.60, 2.98, 41.78 ppm; 3.08 A): 2 out of 63 assignments used, quality = 0.97: * HG2 LYS 73 + HE2 LYS 73 OK 85 100 - 85 - 3.8=54, 1.8/5198=8...(21) HG2 LYS 73 + HE3 LYS 73 OK 82 97 - 84 - 3.8=54, 1.8/5198=8...(19) HG2 LYS 73 - HE2 LYS 43 OK 31 100 - 31 - 1.8/5171=3, 5162=3...(9) HG2 LYS 73 - HE3 LYS 43 OK 27 93 - 29 - 1.8/5171=3, 5162=3...(9) HG2 LYS 44 - HE3 LYS 39 lone 7 77 - 9 - HG2 LYS 44 - HE2 LYS 39 lone 7 75 - 9 - HG2 LYS 73 - HE3 LYS 39 lone 6 100 - 6 - HG2 LYS 44 - HE2 LYS 73 lone 6 77 - 8 - HG2 LYS 73 - HE2 LYS 39 lone 6 99 - 6 - HG2 LYS 44 - HE2 LYS 43 lone 6 76 - 8 - HG2 LYS 44 - HE3 LYS 73 lone 6 72 - 8 - HG2 LYS 73 - HE2 LYS 40 lone 6 63 - 9 - HG2 LYS 44 - HE3 LYS 43 lone 5 67 - 8 - HG LEU 68 - HE2 LYS 73 lone 1 94 - 1 - HG LEU 68 - HE3 LYS 73 lone 1 89 - 1 - HG LEU 68 - HE2 LYS 43 lone 1 93 - 1 - HD3 LYS 19 - HE3 LYS 39 lone 1 100 - 1 - HD2 LYS 19 - HE3 LYS 39 lone 1 100 - 1 - HD2 LYS 19 - HE2 LYS 39 lone 1 99 - 1 - HD3 LYS 19 - HE2 LYS 39 lone 1 99 - 1 - HG LEU 68 - HE3 LYS 43 lone 1 84 - 1 - HG3 LYS 19 - HE2 LYS 73 lone 1 100 - 1 - HG3 LYS 19 - HE3 LYS 73 lone 1 97 - 1 - HG2 LYS 44 - HE2 LYS 40 lone 0 41 - 1 - HD3 LYS 19 - HE2 LYS 73 lone 0 100 - 0 - HD2 LYS 19 - HE2 LYS 73 lone 0 100 - 0 - HG LEU 82 - HE2 LYS 73 lone 0 100 - 0 - HD2 LYS 19 - HE3 LYS 73 lone 0 97 - 0 - HD3 LYS 19 - HE3 LYS 73 lone 0 97 - 0 - HG LEU 82 - HE3 LYS 73 lone 0 97 - 0 - HB3 LEU 127 - HE2 LYS 73 lone 0 73 - 1 - HG3 LYS 19 - HE2 LYS 43 lone 0 100 - 0 - HB3 LEU 127 - HE3 LYS 73 lone 0 68 - 1 - HG3 LYS 19 - HE3 LYS 43 lone 0 93 - 0 - HG LEU 68 - HE3 LYS 39 lone 0 94 - 0 - HD2 LYS 19 - HE2 LYS 43 lone 0 99 - 0 - HD3 LYS 19 - HE2 LYS 43 lone 0 99 - 0 - HB3 LEU 127 - HE2 LYS 43 lone 0 73 - 0 - HG LEU 68 - HE2 LYS 39 lone 0 92 - 0 - HD3 LYS 19 - HE3 LYS 43 lone 0 92 - 0 - HD2 LYS 19 - HE3 LYS 43 lone 0 92 - 0 - HB3 LEU 127 - HE3 LYS 39 lone 0 73 - 0 - HB3 LEU 127 - HE2 LYS 39 lone 0 71 - 0 - HB3 LEU 127 - HE3 LYS 43 lone 0 63 - 0 - HG LEU 82 - HE2 LYS 43 lone 0 100 - 0 - HG12 ILE 116 - HE2 LYS 73 lone 0 84 - 0 - HG LEU 82 - HE3 LYS 39 lone 0 100 - 0 - HG LEU 82 - HE2 LYS 39 lone 0 99 - 0 - HG3 LYS 19 - HE3 LYS 39 lone 0 100 - 0 - HG3 LYS 19 - HE2 LYS 39 lone 0 99 - 0 - HG LEU 82 - HE3 LYS 43 lone 0 93 - 0 - HG12 ILE 116 - HE3 LYS 73 lone 0 78 - 0 - HG12 ILE 116 - HE2 LYS 43 lone 0 83 - 0 - HG12 ILE 116 - HE3 LYS 39 lone 0 84 - 0 - HG12 ILE 116 - HE2 LYS 39 lone 0 82 - 0 - HG LEU 68 - HE2 LYS 40 lone 0 54 - 0 - HG12 ILE 116 - HE3 LYS 43 lone 0 73 - 0 - HG LEU 82 - HE2 LYS 40 lone 0 63 - 0 - HD2 LYS 19 - HE2 LYS 40 lone 0 62 - 0 - HD3 LYS 19 - HE2 LYS 40 lone 0 62 - 0 - HG3 LYS 19 - HE2 LYS 40 lone 0 63 - 0 - HB3 LEU 127 - HE2 LYS 40 lone 0 39 - 0 - HG12 ILE 116 - HE2 LYS 40 lone 0 46 - 0 - Peak 5198 from cnoeabs.peaks (1.48, 2.98, 41.78 ppm; 2.85 A): 2 out of 77 assignments used, quality = 0.94: * HG3 LYS 73 + HE2 LYS 73 OK 78 100 - 78 - 3.8=43, 1.8/5197=8...(17) HG3 LYS 73 + HE3 LYS 73 OK 75 97 - 77 - 3.8=43, 1.8/5197=8...(17) HG3 LYS 73 - HE2 LYS 43 OK 26 100 - 27 - 1.8/5197=3, 5171=3...(9) HG3 LYS 20 - HE2 LYS 43 OK 25 100 - 25 - 3080/1.8=2, 3079/3.0=2...(8) HG3 LYS 73 - HE3 LYS 43 OK 24 93 - 26 - 1.8/5197=3, 5171=3...(9) HG3 LYS 20 - HE2 LYS 73 OK 23 100 - 24 - 3078/2.9=2, 3079/2.9=2...(5) HG3 LYS 20 - HE3 LYS 43 OK 22 93 - 24 - 3079/3.0=2, 3080/1.8=2...(8) HG3 LYS 20 - HE3 LYS 73 OK 22 97 - 23 - 3078/2.9=2, 3079/2.9=2...(5) HG3 LYS 20 - HE2 LYS 40 poor 8 62 - 12 - 3080/1.8=1 HG3 LYS 73 - HE3 LYS 39 lone 6 100 - 5 - HG3 LYS 73 - HE2 LYS 39 lone 6 99 - 5 - HG3 LYS 73 - HE2 LYS 40 lone 4 63 - 7 - HG3 LYS 20 - HE3 LYS 39 lone 3 100 - 3 - HG3 LYS 20 - HE2 LYS 39 lone 3 99 - 3 - HB3 LEU 45 - HE2 LYS 73 lone 3 96 - 3 - HB3 LEU 45 - HE3 LYS 73 lone 3 91 - 3 - HB2 LEU 74 - HE2 LYS 73 lone 2 87 - 2 - HB2 LEU 74 - HE3 LYS 73 lone 1 82 - 2 - HB3 LEU 45 - HE2 LYS 43 lone 1 95 - 1 - HB3 LEU 45 - HE3 LYS 43 lone 1 86 - 1 - HB3 LEU 38 - HE3 LYS 39 lone 1 69 - 1 - HB3 LEU 38 - HE2 LYS 39 lone 1 68 - 1 - HG3 ARG 118 - HE2 LYS 73 lone 0 99 - 0 - HG3 ARG 118 - HE3 LYS 73 lone 0 95 - 0 - HB3 LEU 45 - HE3 LYS 39 lone 0 95 - 0 - HB3 LEU 45 - HE2 LYS 39 lone 0 94 - 0 - HB2 LEU 74 - HE3 LYS 39 lone 0 87 - 0 - HB3 LEU 38 - HE2 LYS 73 lone 0 70 - 0 - HB2 LEU 74 - HE2 LYS 39 lone 0 85 - 0 - HB3 LEU 38 - HE3 LYS 73 lone 0 64 - 0 - HB3 LEU 38 - HE2 LYS 43 lone 0 69 - 0 - HB2 LEU 74 - HE2 LYS 43 lone 0 86 - 0 - HG3 ARG 118 - HE2 LYS 43 lone 0 98 - 0 - HD2 LYS 53 - HE2 LYS 73 lone 0 100 - 0 - HD2 LYS 53 - HE3 LYS 73 lone 0 97 - 0 - HB3 LEU 38 - HE3 LYS 43 lone 0 60 - 0 - HG3 ARG 118 - HE3 LYS 43 lone 0 91 - 0 - HG3 ARG 118 - HE3 LYS 39 lone 0 99 - 0 - HB2 LEU 74 - HE3 LYS 43 lone 0 76 - 0 - HG3 ARG 118 - HE2 LYS 39 lone 0 98 - 0 - HD2 LYS 53 - HE2 LYS 43 lone 0 100 - 0 - HD2 LYS 53 - HE3 LYS 43 lone 0 93 - 0 - HD2 LYS 53 - HE3 LYS 39 lone 0 100 - 0 - HD2 LYS 53 - HE2 LYS 39 lone 0 99 - 0 - HB3 LEU 38 - HE2 LYS 40 lone 0 36 - 1 - HG2 LYS 106 - HE3 LYS 39 lone 0 65 - 0 - HG2 LYS 106 - HE2 LYS 39 lone 0 64 - 0 - HG2 LYS 106 - HE2 LYS 73 lone 0 65 - 0 - HG12 ILE 57 - HE2 LYS 73 lone 0 65 - 0 - HB3 LEU 45 - HE2 LYS 40 lone 0 56 - 0 - HG3 ARG 118 - HE2 LYS 40 lone 0 60 - 0 - HG12 ILE 7 - HE2 LYS 73 lone 0 61 - 0 - HG2 LYS 106 - HE3 LYS 73 lone 0 61 - 0 - HG2 LYS 106 - HE2 LYS 43 lone 0 65 - 0 - HG12 ILE 7 - HE2 LYS 43 lone 0 61 - 0 - HG12 ILE 7 - HE3 LYS 39 lone 0 61 - 0 - HG12 ILE 57 - HE3 LYS 73 lone 0 61 - 0 - HG2 ARG 30 - HE2 LYS 73 lone 0 61 - 0 - HG12 ILE 7 - HE2 LYS 39 lone 0 60 - 0 - HG12 ILE 7 - HE3 LYS 73 lone 0 57 - 0 - HG12 ILE 57 - HE2 LYS 43 lone 0 65 - 0 - HG2 ARG 30 - HE2 LYS 43 lone 0 61 - 0 - HG2 ARG 30 - HE3 LYS 73 lone 0 57 - 0 - HG12 ILE 57 - HE3 LYS 39 lone 0 65 - 0 - HG2 ARG 30 - HE3 LYS 39 lone 0 61 - 0 - HG12 ILE 57 - HE2 LYS 39 lone 0 64 - 0 - HG2 LYS 106 - HE3 LYS 43 lone 0 56 - 0 - HG2 ARG 30 - HE2 LYS 39 lone 0 60 - 0 - HG12 ILE 7 - HE3 LYS 43 lone 0 52 - 0 - HD2 LYS 53 - HE2 LYS 40 lone 0 62 - 0 - HG12 ILE 57 - HE3 LYS 43 lone 0 56 - 0 - HG2 ARG 30 - HE3 LYS 43 lone 0 52 - 0 - HB2 LEU 74 - HE2 LYS 40 lone 0 48 - 0 - HG2 LYS 106 - HE2 LYS 40 lone 0 34 - 0 - HG12 ILE 57 - HE2 LYS 40 lone 0 34 - 0 - HG12 ILE 7 - HE2 LYS 40 lone 0 31 - 0 - HG2 ARG 30 - HE2 LYS 40 lone 0 31 - 0 - Peak 5199 from cnoeabs.peaks (1.68, 2.98, 41.78 ppm; 2.40 A): 8 out of 154 assignments used, quality = 1.00: * HD2 LYS 73 + HE2 LYS 73 OK 71 100 - 71 - 2.9=56, 3.0/5197=4...(14) HD3 LYS 73 + HE2 LYS 73 OK 71 100 - 71 - 2.9=56, 3.0/5197=4...(14) HD2 LYS 73 + HE3 LYS 73 OK 69 97 - 70 - 2.9=56, 3.0/5197=4...(14) HD3 LYS 73 + HE3 LYS 73 OK 68 97 - 70 - 2.9=56, 3.0/5197=4...(14) HD3 LYS 43 + HE2 LYS 43 OK 67 100 - 68 - 3.0=52, 3847/3.9=3...(11) HD2 LYS 43 + HE2 LYS 43 OK 66 98 - 68 - 3.0=52, 3846/3.9=3...(11) HD3 LYS 43 + HE3 LYS 43 OK 62 93 - 67 - 3.0=52, 3847/3.9=3...(11) HD2 LYS 43 + HE3 LYS 43 OK 60 89 - 67 - 3.0=52, 3846/3.9=3...(11) HG3 LYS 39 - HE3 LYS 39 OK 45 80 - 56 - 3.6=30, 1.8/3642=5...(16) HG3 LYS 39 - HE2 LYS 39 OK 44 79 - 56 - 3.6=30, 1.8/3642=5...(16) HD2 LYS 40 - HE2 LYS 40 OK 43 62 - 70 - 3.0=53, 3707/1.8=4...(18) HD3 LYS 40 - HE2 LYS 40 OK 43 61 - 70 - 3.0=53, 3707/1.8=4...(18) HD3 LYS 20 - HE2 LYS 43 OK 17 100 - 17 - 3.0/5198=1, 3.0/3884=1 HD2 LYS 20 - HE2 LYS 43 OK 17 99 - 17 - 3.0/5198=1, 3.0/3884=1 HD3 LYS 20 - HE2 LYS 73 OK 16 100 - 16 - 3.0/5198=1 HD2 LYS 20 - HE2 LYS 73 OK 16 100 - 16 - 3.0/5198=1 HD3 LYS 20 - HE3 LYS 43 OK 14 93 - 16 - HD3 LYS 20 - HE3 LYS 73 OK 14 97 - 15 - HD2 LYS 20 - HE3 LYS 43 OK 14 92 - 16 - HD2 LYS 20 - HE3 LYS 73 OK 14 97 - 15 - HD2 LYS 73 - HE2 LYS 43 OK 13 100 - 13 - 3.0/5197=1, 3.0/5171=1 HD3 LYS 73 - HE2 LYS 43 OK 13 100 - 13 - 3.0/5197=1, 3.0/5171=1 HD2 LYS 73 - HE3 LYS 43 OK 12 93 - 13 - 3.0/5197=1, 3.0/5171=1 HD3 LYS 73 - HE3 LYS 43 OK 12 93 - 13 - 3.0/5197=1, 3.0/5171=1 HD2 LYS 40 - HE2 LYS 43 OK 11 99 - 11 - HD3 LYS 40 - HE2 LYS 43 OK 11 99 - 11 - HD3 LYS 43 - HE2 LYS 73 OK 11 100 - 11 - HD2 LYS 43 - HE2 LYS 73 OK 11 98 - 11 - HD3 LYS 43 - HE3 LYS 73 poor 10 97 - 10 - HD2 LYS 40 - HE3 LYS 43 poor 10 92 - 11 - HD3 LYS 40 - HE3 LYS 43 poor 10 92 - 11 - HD2 LYS 43 - HE3 LYS 73 poor 9 94 - 10 - HD2 LYS 16 - HE2 LYS 40 poor 8 63 - 13 - 3694/3.9=1 HD3 LYS 16 - HE2 LYS 40 poor 8 61 - 13 - 3694/3.9=1 HD2 LYS 40 - HE2 LYS 73 lone 7 100 - 7 - HD3 LYS 40 - HE2 LYS 73 lone 7 99 - 7 - HD3 LYS 96 - HE2 LYS 73 lone 6 100 - 6 - HD2 LYS 96 - HE2 LYS 73 lone 6 99 - 6 - HD2 LYS 40 - HE3 LYS 73 lone 6 97 - 6 - HD3 LYS 40 - HE3 LYS 73 lone 6 96 - 6 - HD3 LYS 96 - HE3 LYS 73 lone 6 97 - 6 - HD2 LYS 96 - HE3 LYS 73 lone 6 96 - 6 - HD3 LYS 20 - HE2 LYS 40 lone 5 62 - 9 - HD2 LYS 20 - HE2 LYS 40 lone 5 62 - 9 - HD3 LYS 96 - HE2 LYS 43 lone 5 100 - 5 - HD2 LYS 96 - HE2 LYS 43 lone 5 99 - 5 - HD3 LYS 43 - HE2 LYS 40 lone 5 63 - 8 - HD2 LYS 40 - HE3 LYS 39 lone 5 100 - 5 - HD3 LYS 40 - HE3 LYS 39 lone 5 99 - 5 - HD2 LYS 40 - HE2 LYS 39 lone 5 99 - 5 - HD3 LYS 96 - HE3 LYS 43 lone 5 93 - 5 - HD3 LYS 40 - HE2 LYS 39 lone 5 98 - 5 - HD2 LYS 96 - HE3 LYS 43 lone 5 92 - 5 - HD2 LYS 43 - HE2 LYS 40 lone 5 59 - 8 - HG3 LYS 39 - HE2 LYS 43 lone 3 80 - 4 - HD2 LYS 44 - HE3 LYS 39 lone 3 73 - 4 - HD2 LYS 73 - HE3 LYS 39 lone 3 100 - 3 - HD3 LYS 73 - HE3 LYS 39 lone 3 100 - 3 - HD2 LYS 44 - HE2 LYS 39 lone 3 71 - 4 - HD2 LYS 73 - HE2 LYS 39 lone 3 99 - 3 - HD3 LYS 73 - HE2 LYS 39 lone 3 99 - 3 - HD2 LYS 73 - HE2 LYS 40 lone 3 63 - 4 - HD3 LYS 96 - HE3 LYS 39 lone 3 100 - 3 - HD3 LYS 73 - HE2 LYS 40 lone 3 63 - 4 - HD3 LYS 96 - HE2 LYS 39 lone 3 99 - 3 - HG3 LYS 39 - HE3 LYS 43 lone 3 70 - 4 - HD2 LYS 96 - HE3 LYS 39 lone 2 99 - 3 - HD3 LYS 44 - HE3 LYS 39 lone 3 65 - 4 - HD2 LYS 96 - HE2 LYS 39 lone 2 98 - 2 - HD3 LYS 44 - HE2 LYS 39 lone 2 64 - 4 - HD2 LYS 44 - HE2 LYS 43 lone 2 73 - 3 - HD2 LYS 44 - HE2 LYS 73 lone 2 73 - 3 - HD2 LYS 44 - HE3 LYS 73 lone 2 68 - 3 - HD3 LYS 43 - HE3 LYS 39 lone 2 100 - 2 - HD3 LYS 43 - HE2 LYS 39 lone 2 99 - 2 - HD3 LYS 96 - HE2 LYS 40 lone 2 62 - 4 - HD2 LYS 43 - HE3 LYS 39 lone 2 98 - 2 - HD2 LYS 96 - HE2 LYS 40 lone 2 61 - 4 - HD3 LYS 44 - HE2 LYS 43 lone 2 65 - 3 - HD3 LYS 44 - HE2 LYS 73 lone 2 65 - 3 - HD2 LYS 44 - HE3 LYS 43 lone 2 63 - 3 - HD2 LYS 43 - HE2 LYS 39 lone 2 97 - 2 - HD3 LYS 20 - HE3 LYS 39 lone 2 100 - 2 - HD2 LYS 20 - HE3 LYS 39 lone 2 100 - 2 - HG3 LYS 39 - HE2 LYS 40 lone 2 44 - 5 - HD3 LYS 20 - HE2 LYS 39 lone 2 99 - 2 - HD2 LYS 20 - HE2 LYS 39 lone 2 99 - 2 - HD3 LYS 44 - HE3 LYS 73 lone 2 61 - 3 - HG3 LYS 39 - HE2 LYS 73 lone 2 81 - 2 - HD3 LYS 44 - HE3 LYS 43 lone 2 56 - 3 - HG3 LYS 39 - HE3 LYS 73 lone 2 75 - 2 - HG3 LYS 123 - HE3 LYS 39 lone 1 80 - 2 - HG3 LYS 123 - HE2 LYS 39 lone 1 79 - 2 - HD2 LYS 16 - HE2 LYS 73 lone 1 100 - 1 - HD3 LYS 16 - HE2 LYS 73 lone 1 99 - 1 - HD2 LYS 16 - HE3 LYS 73 lone 1 97 - 1 - HD3 LYS 16 - HE3 LYS 73 lone 1 96 - 1 - HD2 LYS 16 - HE2 LYS 43 lone 1 100 - 1 - HD3 LYS 16 - HE2 LYS 43 lone 1 99 - 1 - HD2 LYS 16 - HE3 LYS 43 lone 1 93 - 1 - HD3 LYS 16 - HE3 LYS 43 lone 1 92 - 1 - HG3 ARG 95 - HE2 LYS 73 lone 1 94 - 1 - HG3 ARG 95 - HE3 LYS 73 lone 1 89 - 1 - HG12 ILE 71 - HE2 LYS 73 lone 1 94 - 1 - HG3 ARG 95 - HE2 LYS 43 lone 1 93 - 1 - HG12 ILE 71 - HE3 LYS 73 lone 1 89 - 1 - HD2 LYS 16 - HE3 LYS 39 lone 1 100 - 1 - HD2 LYS 16 - HE2 LYS 39 lone 1 99 - 1 - HD3 LYS 16 - HE3 LYS 39 lone 1 99 - 1 - HD2 LYS 17 - HE2 LYS 40 lone 1 61 - 1 - HG3 ARG 95 - HE3 LYS 43 lone 1 84 - 1 - HD3 LYS 16 - HE2 LYS 39 lone 1 98 - 1 - HD2 LYS 17 - HE2 LYS 43 lone 0 99 - 0 - HG3 ARG 95 - HE2 LYS 40 lone 0 54 - 1 - HD2 LYS 17 - HE3 LYS 43 lone 0 92 - 0 - HD2 LYS 17 - HE2 LYS 73 lone 0 99 - 0 - HG3 LYS 123 - HE2 LYS 43 lone 0 80 - 0 - HD2 LYS 17 - HE3 LYS 73 lone 0 96 - 0 - HG3 LYS 123 - HE2 LYS 73 lone 0 81 - 0 - HG LEU 74 - HE2 LYS 73 lone 0 61 - 0 - HG3 LYS 123 - HE3 LYS 43 lone 0 70 - 0 - HD2 LYS 17 - HE2 LYS 39 lone 0 98 - 0 - HD2 LYS 17 - HE3 LYS 39 lone 0 99 - 0 - HG3 LYS 123 - HE3 LYS 73 lone 0 75 - 0 - HG LEU 74 - HE3 LYS 73 lone 0 57 - 0 - HG3 ARG 95 - HE3 LYS 39 lone 0 94 - 0 - HG12 ILE 71 - HE2 LYS 43 lone 0 93 - 0 - HG3 ARG 95 - HE2 LYS 39 lone 0 92 - 0 - HB ILE 56 - HE2 LYS 43 lone 0 99 - 0 - HG12 ILE 71 - HE3 LYS 39 lone 0 94 - 0 - HB ILE 54 - HE2 LYS 73 lone 0 100 - 0 - HG12 ILE 71 - HE3 LYS 43 lone 0 84 - 0 - HG12 ILE 71 - HE2 LYS 39 lone 0 92 - 0 - HB ILE 56 - HE3 LYS 43 lone 0 92 - 0 - HB ILE 54 - HE3 LYS 73 lone 0 97 - 0 - HG3 LYS 123 - HE2 LYS 40 lone 0 44 - 0 - HB ILE 54 - HE3 LYS 39 lone 0 100 - 0 - HB ILE 56 - HE2 LYS 73 lone 0 99 - 0 - HB ILE 54 - HE2 LYS 39 lone 0 99 - 0 - HB ILE 54 - HE2 LYS 43 lone 0 99 - 0 - HB ILE 56 - HE3 LYS 73 lone 0 96 - 0 - HD2 LYS 44 - HE2 LYS 40 lone 0 39 - 0 - HB ILE 54 - HE3 LYS 43 lone 0 92 - 0 - HB ILE 56 - HE3 LYS 39 lone 0 99 - 0 - HB ILE 56 - HE2 LYS 39 lone 0 98 - 0 - HD3 LYS 44 - HE2 LYS 40 lone 0 34 - 0 - HB ILE 54 - HE2 LYS 40 lone 0 62 - 0 - HG LEU 74 - HE3 LYS 39 lone 0 61 - 0 - HG LEU 74 - HE2 LYS 39 lone 0 60 - 0 - HG LEU 74 - HE2 LYS 43 lone 0 61 - 0 - HB ILE 56 - HE2 LYS 40 lone 0 61 - 0 - HG12 ILE 71 - HE2 LYS 40 lone 0 54 - 0 - HG LEU 74 - HE3 LYS 43 lone 0 52 - 0 - HG LEU 74 - HE2 LYS 40 lone 0 31 - 0 - Peak 5200 from cnoeabs.peaks (1.68, 2.98, 41.78 ppm; 2.40 A): 8 out of 147 assignments used, quality = 1.00: * HD3 LYS 73 + HE2 LYS 73 OK 71 100 - 71 - 2.9=56, 3.0/5197=4...(14) HD2 LYS 73 + HE2 LYS 73 OK 71 100 - 71 - 2.9=56, 3.0/5197=4...(14) HD3 LYS 73 + HE3 LYS 73 OK 69 97 - 70 - 2.9=56, 3.0/5197=4...(14) HD2 LYS 73 + HE3 LYS 73 OK 68 97 - 70 - 2.9=56, 3.0/5197=4...(14) HD3 LYS 43 + HE2 LYS 43 OK 68 100 - 68 - 3.0=52, 3846/3.9=3...(11) HD2 LYS 43 + HE2 LYS 43 OK 67 98 - 68 - 3.0=52, 3846/3.9=3...(11) HD3 LYS 43 + HE3 LYS 43 OK 62 93 - 67 - 3.0=52, 3846/3.9=3...(11) HD2 LYS 43 + HE3 LYS 43 OK 61 91 - 67 - 3.0=52, 3846/3.9=3...(11) HD2 LYS 40 - HE2 LYS 40 OK 43 62 - 70 - 3.0=53, 3717/1.8=4...(18) HD3 LYS 40 - HE2 LYS 40 OK 43 62 - 70 - 3.0=53, 3717/1.8=4...(18) HG3 LYS 39 - HE3 LYS 39 OK 43 77 - 56 - 3.6=30, 1.8/3642=5...(16) HG3 LYS 39 - HE2 LYS 39 OK 42 75 - 56 - 3.6=30, 1.8/3642=5...(16) HD3 LYS 20 - HE2 LYS 43 OK 17 99 - 17 - 3.0/5198=1, 3.0/3884=1 HD2 LYS 20 - HE2 LYS 43 OK 17 99 - 17 - 3.0/5198=1, 3.0/3884=1 HD3 LYS 20 - HE2 LYS 73 OK 16 100 - 16 - 3.0/5198=1 HD2 LYS 20 - HE2 LYS 73 OK 16 99 - 16 - 3.0/5198=1 HD3 LYS 20 - HE3 LYS 43 OK 14 92 - 16 - HD3 LYS 20 - HE3 LYS 73 OK 14 97 - 15 - HD2 LYS 20 - HE3 LYS 73 OK 14 96 - 15 - HD2 LYS 20 - HE3 LYS 43 OK 14 92 - 16 - HD3 LYS 73 - HE2 LYS 43 OK 13 100 - 13 - 3.0/5197=1, 3.0/5171=1 HD2 LYS 73 - HE2 LYS 43 OK 13 100 - 13 - 3.0/5197=1, 3.0/5171=1 HD3 LYS 73 - HE3 LYS 43 OK 12 93 - 13 - 3.0/5197=1, 3.0/5171=1 HD2 LYS 73 - HE3 LYS 43 OK 12 93 - 13 - 3.0/5197=1, 3.0/5171=1 HD2 LYS 40 - HE2 LYS 43 OK 11 100 - 11 - HD3 LYS 40 - HE2 LYS 43 OK 11 99 - 11 - HD3 LYS 43 - HE2 LYS 73 OK 11 100 - 11 - HD2 LYS 43 - HE2 LYS 73 OK 11 99 - 11 - HD3 LYS 43 - HE3 LYS 73 poor 10 97 - 10 - HD2 LYS 40 - HE3 LYS 43 poor 10 93 - 11 - HD3 LYS 40 - HE3 LYS 43 poor 10 92 - 11 - HD2 LYS 43 - HE3 LYS 73 poor 10 95 - 10 - HD2 LYS 16 - HE2 LYS 40 poor 8 62 - 13 - 3694/3.9=1 HD3 LYS 16 - HE2 LYS 40 poor 7 60 - 13 - 3694/3.9=1 HD2 LYS 40 - HE2 LYS 73 lone 7 100 - 7 - HD3 LYS 40 - HE2 LYS 73 lone 7 100 - 7 - HD3 LYS 96 - HE2 LYS 73 lone 6 100 - 6 - HD2 LYS 96 - HE2 LYS 73 lone 6 100 - 6 - HD2 LYS 40 - HE3 LYS 73 lone 6 97 - 6 - HD3 LYS 40 - HE3 LYS 73 lone 6 97 - 6 - HD3 LYS 96 - HE3 LYS 73 lone 6 97 - 6 - HD2 LYS 96 - HE3 LYS 73 lone 6 97 - 6 - HD3 LYS 20 - HE2 LYS 40 lone 5 62 - 9 - HD2 LYS 20 - HE2 LYS 40 lone 5 61 - 9 - HD2 LYS 96 - HE2 LYS 43 lone 5 99 - 5 - HD3 LYS 96 - HE2 LYS 43 lone 5 100 - 5 - HD3 LYS 43 - HE2 LYS 40 lone 5 63 - 8 - HD2 LYS 40 - HE3 LYS 39 lone 5 100 - 5 - HD3 LYS 40 - HE3 LYS 39 lone 5 100 - 5 - HD2 LYS 40 - HE2 LYS 39 lone 5 99 - 5 - HD3 LYS 40 - HE2 LYS 39 lone 5 99 - 5 - HD3 LYS 96 - HE3 LYS 43 lone 5 93 - 5 - HD2 LYS 43 - HE2 LYS 40 lone 5 60 - 8 - HD2 LYS 96 - HE3 LYS 43 lone 5 92 - 5 - HG3 LYS 39 - HE2 LYS 43 lone 3 76 - 4 - HD2 LYS 73 - HE3 LYS 39 lone 3 100 - 3 - HD3 LYS 73 - HE3 LYS 39 lone 3 100 - 3 - HD2 LYS 73 - HE2 LYS 39 lone 3 99 - 3 - HD3 LYS 73 - HE2 LYS 39 lone 3 99 - 3 - HD2 LYS 44 - HE3 LYS 39 lone 3 69 - 4 - HD2 LYS 44 - HE2 LYS 39 lone 3 68 - 4 - HD3 LYS 73 - HE2 LYS 40 lone 3 63 - 4 - HD2 LYS 73 - HE2 LYS 40 lone 3 63 - 4 - HD3 LYS 96 - HE3 LYS 39 lone 2 100 - 3 - HD2 LYS 96 - HE3 LYS 39 lone 2 100 - 3 - HD3 LYS 96 - HE2 LYS 39 lone 2 99 - 2 - HD2 LYS 96 - HE2 LYS 39 lone 2 99 - 2 - HG3 LYS 39 - HE3 LYS 43 lone 2 67 - 4 - HD3 LYS 44 - HE3 LYS 39 lone 2 61 - 4 - HD2 LYS 44 - HE2 LYS 43 lone 2 69 - 3 - HD2 LYS 44 - HE2 LYS 73 lone 2 70 - 3 - HD3 LYS 44 - HE2 LYS 39 lone 2 60 - 4 - HD3 LYS 96 - HE2 LYS 40 lone 2 63 - 4 - HD3 LYS 43 - HE3 LYS 39 lone 2 100 - 2 - HD2 LYS 43 - HE3 LYS 39 lone 2 99 - 2 - HD2 LYS 96 - HE2 LYS 40 lone 2 62 - 4 - HD3 LYS 43 - HE2 LYS 39 lone 2 99 - 2 - HD2 LYS 43 - HE2 LYS 39 lone 2 98 - 2 - HD2 LYS 44 - HE3 LYS 73 lone 2 64 - 3 - HD3 LYS 20 - HE3 LYS 39 lone 2 100 - 2 - HD2 LYS 20 - HE3 LYS 39 lone 2 99 - 2 - HD3 LYS 44 - HE2 LYS 73 lone 2 61 - 3 - HD3 LYS 44 - HE2 LYS 43 lone 2 61 - 3 - HD2 LYS 44 - HE3 LYS 43 lone 2 60 - 3 - HD3 LYS 20 - HE2 LYS 39 lone 2 99 - 2 - HD2 LYS 20 - HE2 LYS 39 lone 2 98 - 2 - HG3 LYS 39 - HE2 LYS 40 lone 2 41 - 5 - HD3 LYS 44 - HE3 LYS 73 lone 2 57 - 3 - HG3 LYS 39 - HE2 LYS 73 lone 2 77 - 2 - HD3 LYS 44 - HE3 LYS 43 lone 2 52 - 3 - HG3 LYS 39 - HE3 LYS 73 lone 2 72 - 2 - HG3 LYS 123 - HE3 LYS 39 lone 1 77 - 2 - HD2 LYS 16 - HE2 LYS 73 lone 1 100 - 1 - HG3 LYS 123 - HE2 LYS 39 lone 1 75 - 2 - HD3 LYS 16 - HE2 LYS 73 lone 1 99 - 1 - HD2 LYS 16 - HE3 LYS 73 lone 1 97 - 1 - HD3 LYS 16 - HE3 LYS 73 lone 1 95 - 1 - HD2 LYS 16 - HE2 LYS 43 lone 1 100 - 1 - HD3 LYS 16 - HE2 LYS 43 lone 1 98 - 1 - HD2 LYS 16 - HE3 LYS 43 lone 1 93 - 1 - HG3 ARG 95 - HE2 LYS 73 lone 1 96 - 1 - HD3 LYS 16 - HE3 LYS 43 lone 1 91 - 1 - HG3 ARG 95 - HE3 LYS 73 lone 1 91 - 1 - HG3 ARG 95 - HE2 LYS 43 lone 1 95 - 1 - HG12 ILE 71 - HE2 LYS 73 lone 1 92 - 1 - HG12 ILE 71 - HE3 LYS 73 lone 1 87 - 1 - HG3 ARG 95 - HE3 LYS 43 lone 1 86 - 1 - HD2 LYS 16 - HE3 LYS 39 lone 1 100 - 1 - HD2 LYS 17 - HE2 LYS 40 lone 1 62 - 1 - HD2 LYS 16 - HE2 LYS 39 lone 1 99 - 1 - HD3 LYS 16 - HE3 LYS 39 lone 1 99 - 1 - HD3 LYS 16 - HE2 LYS 39 lone 1 98 - 1 - HD2 LYS 17 - HE2 LYS 43 lone 0 99 - 0 - HG3 ARG 95 - HE2 LYS 40 lone 1 56 - 1 - HD2 LYS 17 - HE3 LYS 43 lone 0 92 - 0 - HD2 LYS 17 - HE2 LYS 73 lone 0 100 - 0 - HD2 LYS 17 - HE3 LYS 73 lone 0 97 - 0 - HG3 LYS 123 - HE2 LYS 43 lone 0 76 - 0 - HG3 LYS 123 - HE2 LYS 73 lone 0 77 - 0 - HG3 LYS 123 - HE3 LYS 43 lone 0 67 - 0 - HD2 LYS 17 - HE2 LYS 39 lone 0 99 - 0 - HD2 LYS 17 - HE3 LYS 39 lone 0 100 - 0 - HG3 LYS 123 - HE3 LYS 73 lone 0 72 - 0 - HG3 ARG 95 - HE3 LYS 39 lone 0 95 - 0 - HG3 ARG 95 - HE2 LYS 39 lone 0 94 - 0 - HG12 ILE 71 - HE2 LYS 43 lone 0 91 - 0 - HB ILE 56 - HE2 LYS 43 lone 0 98 - 0 - HB ILE 54 - HE2 LYS 73 lone 0 100 - 0 - HG12 ILE 71 - HE3 LYS 39 lone 0 92 - 0 - HB ILE 54 - HE3 LYS 73 lone 0 97 - 0 - HG12 ILE 71 - HE3 LYS 43 lone 0 82 - 0 - HB ILE 56 - HE3 LYS 43 lone 0 91 - 0 - HG12 ILE 71 - HE2 LYS 39 lone 0 90 - 0 - HB ILE 54 - HE3 LYS 39 lone 0 100 - 0 - HB ILE 54 - HE2 LYS 39 lone 0 99 - 0 - HB ILE 56 - HE2 LYS 73 lone 0 99 - 0 - HB ILE 54 - HE2 LYS 43 lone 0 100 - 0 - HB ILE 56 - HE3 LYS 73 lone 0 95 - 0 - HG3 LYS 123 - HE2 LYS 40 lone 0 41 - 0 - HB ILE 54 - HE3 LYS 43 lone 0 93 - 0 - HD2 LYS 44 - HE2 LYS 40 lone 0 36 - 0 - HB ILE 56 - HE3 LYS 39 lone 0 99 - 0 - HB ILE 56 - HE2 LYS 39 lone 0 98 - 0 - HB ILE 54 - HE2 LYS 40 lone 0 62 - 0 - HD3 LYS 44 - HE2 LYS 40 lone 0 31 - 0 - HB ILE 56 - HE2 LYS 40 lone 0 60 - 0 - HG12 ILE 71 - HE2 LYS 40 lone 0 52 - 0 - Peak 5201 from cnoeabs.peaks (2.98, 2.98, 41.78 ppm; diagonal): 6 out of 7 assignments used, quality = 1.00: * HE2 LYS 73 + HE2 LYS 73 OK 100 100 - 100 HE3 LYS 39 + HE3 LYS 39 OK 100 100 - 100 HE2 LYS 43 + HE2 LYS 43 OK 100 100 - 100 HE2 LYS 39 + HE2 LYS 39 OK 99 99 - 100 HE3 LYS 73 + HE3 LYS 73 OK 95 95 - 100 HE3 LYS 43 + HE3 LYS 43 OK 88 88 - 100 HE2 LYS 40 - HE2 LYS 40 OK 44 44 - 100 Peak 5202 from cnoeabs.peaks (2.98, 2.98, 41.78 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: HE2 LYS 43 + HE2 LYS 43 OK 99 99 - 100 HE3 LYS 39 + HE3 LYS 39 OK 99 99 - 100 HE2 LYS 39 + HE2 LYS 39 OK 99 99 - 100 HE2 LYS 73 + HE2 LYS 73 OK 99 99 - 100 HE3 LYS 73 + HE3 LYS 73 OK 97 97 - 100 HE3 LYS 43 + HE3 LYS 43 OK 93 93 - 100 HE2 LYS 40 + HE2 LYS 40 OK 54 54 - 100 Reference assignment not found: HE3 LYS 73 - HE2 LYS 73 Peak 5205 from cnoeabs.peaks (1.90, 2.98, 41.78 ppm; 3.34 A): 12 out of 210 assignments used, quality = 1.00: * HB2 LYS 73 + HE3 LYS 73 OK 77 100 - 77 - 4.9=32, 2.9/5197=7...(32) HB3 LYS 73 + HE3 LYS 73 OK 77 100 - 77 - 4.9=32, 2.9/5197=7...(32) HB2 LYS 73 + HE2 LYS 73 OK 76 97 - 78 - 4.9=32, 2.9/5197=8...(34) HB3 LYS 73 + HE2 LYS 73 OK 76 97 - 78 - 4.9=32, 2.9/5197=8...(34) HB3 LYS 43 + HE2 LYS 43 OK 74 97 - 77 - 4.7=37, 3.0/3848=6...(42) HB3 LYS 43 + HE3 LYS 43 OK 73 98 - 75 - 4.7=37, 3.0/3848=6...(40) HB2 LYS 43 + HE2 LYS 43 OK 66 85 - 78 - 4.7=37, 3.0/3848=6...(42) HB2 LYS 43 + HE3 LYS 43 OK 66 86 - 76 - 4.7=37, 3.0/3848=6...(40) HB2 LYS 20 + HE2 LYS 20 OK 52 65 - 80 - 4.8=33, 2.9/3070=5...(40) HB3 LYS 20 + HE2 LYS 20 OK 52 65 - 80 - 4.8=33, 2.9/3070=5...(40) HB3 LYS 20 + HE3 LYS 20 OK 52 65 - 80 - 4.8=33, 2.9/3070=5...(40) HB2 LYS 20 + HE3 LYS 20 OK 52 65 - 80 - 4.8=33, 2.9/3070=5...(40) HB3 LYS 20 - HE2 LYS 43 OK 37 98 - 39 - 2.9/5198=2, 2.9/3884=2...(8) HB2 LYS 20 - HE2 LYS 43 OK 37 98 - 39 - 2.9/5198=2, 2.9/3884=2...(8) HB2 LYS 20 - HE2 LYS 73 OK 35 95 - 37 - 2.9/5198=2, 2.9/3884=2...(7) HB3 LYS 20 - HE2 LYS 73 OK 35 95 - 37 - 2.9/5198=2, 2.9/3884=2...(7) HB3 LYS 20 - HE3 LYS 43 OK 35 98 - 36 - 2.9/3070=2, 2.9/5198=2...(8) HB2 LYS 20 - HE3 LYS 43 OK 35 98 - 36 - 2.9/3070=2, 2.9/5198=2...(8) HB2 LYS 20 - HE3 LYS 73 OK 34 99 - 34 - 2.9/5198=2, 2.9/3884=2, ~5198=1 HB3 LYS 20 - HE3 LYS 73 OK 34 99 - 34 - 2.9/5198=2, 2.9/3884=2, ~5198=1 HB2 LYS 73 - HE2 LYS 43 OK 32 99 - 33 - 2.9/5197=3, 2.9/5171=3...(10) HB3 LYS 73 - HE2 LYS 43 OK 32 99 - 33 - 2.9/5197=3, 2.9/5171=3...(10) HB2 LYS 73 - HE3 LYS 43 OK 32 100 - 32 - 2.9/5171=3, 2.9/5197=2...(9) HB3 LYS 73 - HE3 LYS 43 OK 31 100 - 32 - 2.9/5171=3, 2.9/5197=2...(9) HB3 LYS 43 - HE2 LYS 73 OK 24 94 - 26 - 3.0/3848=2, 3.0/3885=1...(4) HB3 LYS 43 - HE3 LYS 73 OK 24 98 - 25 - 3.0/3848=2, 3.0/3885=1...(5) HB2 LYS 43 - HE3 LYS 73 OK 22 87 - 25 - 3.0/3848=2, 3.0/3885=1...(5) HB2 LYS 43 - HE2 LYS 73 OK 22 82 - 27 - 3.0/3848=2, 3.0/3885=1...(4) HB2 LYS 73 - HE2 LYS 20 OK 18 68 - 27 - 2.9/5172=2, 2.9/5162=2, ~5172=1 HB2 LYS 73 - HE3 LYS 20 OK 18 68 - 27 - 2.9/5172=2, 2.9/5162=2, ~5172=1 HB3 LYS 73 - HE2 LYS 20 OK 18 68 - 26 - 2.9/5172=2, 2.9/5162=2, ~5172=1 HB3 LYS 73 - HE3 LYS 20 OK 18 68 - 26 - 2.9/5172=2, 2.9/5162=2, ~5172=1 HB2 LYS 20 - HE2 LYS 40 OK 17 84 - 21 - 2.9/3070=1, 2.9/3080=1 HB3 LYS 20 - HE2 LYS 40 OK 17 84 - 21 - 2.9/3070=1, 2.9/3080=1 HB3 LYS 43 - HE3 LYS 20 OK 17 64 - 26 - 3.0/3849=2, 3824/3.9=1, ~3849=1 HB3 LYS 43 - HE2 LYS 20 OK 17 64 - 26 - 3.0/3849=2, 3824/3.9=1, ~3849=1 HB3 LYS 16 - HE2 LYS 40 OK 16 64 - 25 - 2744/3.9=1, 3.0/3723=1, ~6530=1 HB2 LYS 20 - HE3 LYS 40 OK 16 75 - 21 - 2.9/3070=1, 2.9/3081=1 HB3 LYS 20 - HE3 LYS 40 OK 16 75 - 21 - 2.9/3070=1, 2.9/3081=1 HB2 LYS 16 - HE2 LYS 40 OK 15 61 - 26 - 2744/3.9=1, 3.0/3723=1, ~6530=1 HB2 LYS 43 - HE2 LYS 20 OK 14 53 - 27 - 3.0/3849=2, 3824/3.9=1, ~3849=1 HB2 LYS 43 - HE3 LYS 20 OK 14 53 - 27 - 3.0/3849=2, 3824/3.9=1, ~3849=1 HB3 LYS 16 - HE3 LYS 40 OK 13 56 - 24 - 2744/3.9=1, 3.0/3723=1 HB3 LYS 43 - HE2 LYS 40 OK 13 83 - 16 - 3.0/3849=1, 8066/6.4=1 HB2 LYS 96 - HE3 LYS 73 OK 13 98 - 13 - HB2 LYS 96 - HE2 LYS 73 OK 13 94 - 13 - HB2 LYS 16 - HE3 LYS 40 OK 13 53 - 24 - 2744/3.9=1, 3.0/3723=1 HB3 LYS 43 - HE3 LYS 40 OK 12 74 - 16 - 3.0/3849=1, 8066/6.4=1 HB2 LYS 96 - HE2 LYS 43 OK 11 97 - 12 - HB2 LYS 96 - HE3 LYS 43 OK 11 98 - 12 - HB2 LYS 43 - HE2 LYS 40 OK 11 70 - 16 - 3.0/3849=1, 8066/6.4=1 HB2 LYS 43 - HE3 LYS 40 poor 10 62 - 16 - 3.0/3849=1, 8066/6.4=1 HB3 LYS 44 - HE2 LYS 39 poor 10 89 - 11 - HB3 LYS 44 - HE3 LYS 39 poor 10 86 - 11 - HB3 LYS 44 - HE3 LYS 43 poor 9 89 - 10 - HB3 LYS 44 - HE2 LYS 43 poor 9 88 - 10 - HB2 LYS 44 - HE2 LYS 39 poor 8 73 - 11 - HB2 LYS 96 - HE2 LYS 40 lone 8 83 - 10 - 8066/6.4=1 HB2 LYS 44 - HE3 LYS 43 poor 8 73 - 11 - HB3 LYS 44 - HE3 LYS 73 lone 8 90 - 9 - HB2 LYS 96 - HE3 LYS 20 poor 8 64 - 12 - HB2 LYS 96 - HE2 LYS 20 poor 8 64 - 12 - HB2 LYS 73 - HE2 LYS 40 lone 8 87 - 9 - HB2 LYS 44 - HE2 LYS 43 poor 8 71 - 11 - HB2 LYS 44 - HE3 LYS 39 poor 8 70 - 11 - HB3 LYS 73 - HE2 LYS 40 lone 8 87 - 9 - HB2 LYS 96 - HE2 LYS 39 lone 8 98 - 8 - HB3 LYS 44 - HE2 LYS 73 lone 8 84 - 9 - HB2 LYS 96 - HE3 LYS 39 lone 7 96 - 8 - HB2 LYS 73 - HE3 LYS 40 lone 7 78 - 9 - HB3 LYS 73 - HE3 LYS 40 lone 7 78 - 9 - HB2 LYS 96 - HE3 LYS 40 lone 7 74 - 9 - 8066/6.4=1 HB2 LYS 73 - HE2 LYS 39 lone 7 100 - 7 - HB2 LYS 44 - HE3 LYS 73 lone 7 73 - 9 - HB3 LYS 73 - HE2 LYS 39 lone 7 100 - 7 - HB2 LYS 73 - HE3 LYS 39 lone 7 99 - 7 - HB3 LYS 73 - HE3 LYS 39 lone 7 99 - 7 - HB2 LYS 44 - HE2 LYS 73 lone 6 68 - 9 - HB3 LYS 43 - HE2 LYS 39 lone 5 98 - 5 - HB3 LYS 43 - HE3 LYS 39 lone 5 96 - 5 - HB2 LYS 43 - HE2 LYS 39 lone 5 86 - 6 - HB2 LYS 43 - HE3 LYS 39 lone 5 83 - 6 - HB2 LYS 20 - HE3 LYS 39 lone 5 97 - 5 - HB3 LYS 20 - HE3 LYS 39 lone 5 97 - 5 - HB2 LYS 20 - HE2 LYS 39 lone 5 98 - 4 - HB3 LYS 20 - HE2 LYS 39 lone 5 98 - 4 - HB2 LEU 45 - HE3 LYS 73 lone 4 94 - 4 - HB2 LEU 45 - HE2 LYS 73 lone 4 89 - 4 - HB3 LYS 16 - HE3 LYS 73 lone 3 81 - 4 - HB2 LYS 16 - HE3 LYS 73 lone 3 77 - 4 - HB3 LYS 16 - HE2 LYS 73 lone 3 75 - 4 - HB2 ARG 95 - HE2 LYS 40 lone 3 86 - 3 - 7789/7.5=1 HB2 LYS 16 - HE2 LYS 73 lone 3 72 - 4 - HB3 LYS 123 - HE2 LYS 39 lone 3 61 - 4 - HB3 LYS 123 - HE3 LYS 39 lone 3 58 - 4 - HG LEU 45 - HE3 LYS 73 lone 3 84 - 3 - HB2 ARG 95 - HE3 LYS 40 lone 3 78 - 3 - 7789/7.5=1 HG LEU 45 - HE2 LYS 73 lone 2 78 - 3 - HB3 LYS 16 - HE2 LYS 20 lone 2 48 - 5 - HB3 LYS 16 - HE3 LYS 20 lone 2 48 - 5 - HB2 LYS 16 - HE2 LYS 20 lone 2 45 - 5 - HB2 LYS 16 - HE3 LYS 20 lone 2 45 - 5 - HB ILE 71 - HE3 LYS 73 lone 2 100 - 2 - HB ILE 71 - HE2 LYS 73 lone 2 97 - 2 - HB2 ARG 95 - HE3 LYS 73 lone 2 100 - 2 - HB2 LEU 45 - HE2 LYS 43 lone 2 92 - 2 - HB2 ARG 95 - HE2 LYS 73 lone 2 97 - 2 - HB2 LEU 45 - HE3 LYS 43 lone 2 93 - 2 - HG LEU 45 - HE2 LYS 43 lone 2 82 - 2 - HG LEU 45 - HE3 LYS 43 lone 2 83 - 2 - HB2 ARG 95 - HE3 LYS 20 lone 2 68 - 3 - HB2 ARG 95 - HE2 LYS 20 lone 2 68 - 3 - HB3 LYS 44 - HE2 LYS 20 lone 2 55 - 3 - HB3 LYS 44 - HE3 LYS 20 lone 2 55 - 3 - HB2 LEU 45 - HE3 LYS 20 lone 2 59 - 3 - HB2 LEU 45 - HE2 LYS 20 lone 2 59 - 3 - HB2 ARG 95 - HE3 LYS 43 lone 2 100 - 2 - HB2 ARG 95 - HE2 LYS 43 lone 2 99 - 2 - HB3 LYS 44 - HE2 LYS 40 lone 1 72 - 2 - HB2 LYS 44 - HE2 LYS 20 lone 1 43 - 3 - HB2 LYS 44 - HE3 LYS 20 lone 1 43 - 3 - HB3 LYS 16 - HE3 LYS 43 lone 1 80 - 2 - HB3 LYS 44 - HE3 LYS 40 lone 1 64 - 2 - HB3 LYS 16 - HE2 LYS 43 lone 1 79 - 2 - HB2 LYS 16 - HE3 LYS 43 lone 1 76 - 2 - HB2 LYS 16 - HE2 LYS 43 lone 1 75 - 2 - HG LEU 45 - HE3 LYS 20 lone 1 50 - 2 - HG LEU 45 - HE2 LYS 20 lone 1 50 - 2 - HB2 LYS 44 - HE2 LYS 40 lone 1 57 - 2 - HB2 ARG 95 - HE2 LYS 39 lone 1 100 - 1 - HB2 ARG 95 - HE3 LYS 39 lone 1 98 - 1 - HB2 LYS 44 - HE3 LYS 40 lone 1 50 - 2 - HB3 LYS 16 - HE2 LYS 39 lone 1 80 - 1 - HG2 ARG 95 - HE3 LYS 73 lone 1 61 - 1 - HB2 LYS 16 - HE2 LYS 39 lone 1 76 - 1 - HB3 LYS 16 - HE3 LYS 39 lone 1 77 - 1 - HB2 LYS 16 - HE3 LYS 39 lone 1 74 - 1 - HG2 ARG 95 - HE2 LYS 73 lone 1 57 - 1 - HG2 ARG 95 - HE2 LYS 43 lone 1 60 - 1 - HG2 ARG 95 - HE3 LYS 43 lone 1 61 - 1 - HB3 LYS 123 - HE2 LYS 40 lone 1 47 - 1 - HB3 LYS 123 - HE2 LYS 43 lone 1 60 - 1 - HB3 LYS 123 - HE3 LYS 43 lone 1 61 - 1 - HB ILE 71 - HE2 LYS 39 lone 1 100 - 1 - HB ILE 71 - HE3 LYS 39 lone 1 99 - 1 - HB2 LEU 45 - HE2 LYS 39 lone 1 93 - 1 - HB ILE 71 - HE2 LYS 43 lone 1 99 - 1 - HB3 LYS 123 - HE3 LYS 40 lone 1 41 - 1 - HB ILE 71 - HE3 LYS 43 lone 1 100 - 1 - HB2 LEU 45 - HE3 LYS 39 lone 1 91 - 1 - HB ILE 7 - HE2 LYS 39 lone 0 99 - 1 - HB ILE 7 - HE3 LYS 39 lone 0 98 - 1 - HG2 ARG 95 - HE3 LYS 20 lone 1 35 - 1 - HG2 ARG 95 - HE2 LYS 20 lone 1 35 - 1 - HB2 LYS 49 - HE2 LYS 39 lone 0 99 - 0 - HB2 LYS 49 - HE3 LYS 39 lone 0 97 - 0 - HB3 LYS 123 - HE3 LYS 73 lone 0 61 - 1 - HG LEU 45 - HE2 LYS 39 lone 0 83 - 1 - HG2 ARG 95 - HE2 LYS 40 lone 0 47 - 1 - HB2 LYS 49 - HE3 LYS 73 lone 0 99 - 0 - HB2 LYS 49 - HE2 LYS 43 lone 0 98 - 0 - HG LEU 45 - HE3 LYS 39 lone 0 80 - 1 - HB2 LYS 49 - HE3 LYS 43 lone 0 99 - 0 - HB2 LYS 49 - HE2 LYS 73 lone 0 96 - 0 - HB ILE 7 - HE2 LYS 43 lone 0 99 - 0 - HB3 LYS 123 - HE2 LYS 73 lone 0 57 - 1 - HB ILE 7 - HE3 LYS 43 lone 0 99 - 0 - HB ILE 7 - HE3 LYS 73 lone 0 100 - 0 - HB2 LEU 45 - HE2 LYS 40 lone 0 77 - 1 - HB2 GLU 128 - HE2 LYS 40 lone 0 83 - 0 - HB ILE 7 - HE2 LYS 73 lone 0 97 - 0 - HB ILE 71 - HE2 LYS 20 lone 0 68 - 1 - HB ILE 71 - HE3 LYS 20 lone 0 68 - 1 - HB2 GLU 128 - HE2 LYS 39 lone 0 98 - 0 - HG2 ARG 95 - HE3 LYS 40 lone 0 41 - 1 - HB2 GLU 128 - HE3 LYS 73 lone 0 98 - 0 - HB2 GLU 128 - HE3 LYS 39 lone 0 96 - 0 - HB ILE 71 - HE2 LYS 40 lone 0 87 - 0 - HB2 GLU 128 - HE2 LYS 73 lone 0 94 - 0 - HB2 GLU 128 - HE3 LYS 43 lone 0 98 - 0 - HB2 LEU 45 - HE3 LYS 40 lone 0 69 - 1 - HB2 GLU 128 - HE2 LYS 43 lone 0 97 - 0 - HB2 GLU 128 - HE3 LYS 40 lone 0 74 - 0 - HG LEU 45 - HE2 LYS 40 lone 0 67 - 1 - HB2 LYS 49 - HE2 LYS 40 lone 0 85 - 0 - HB ILE 7 - HE2 LYS 40 lone 0 86 - 0 - HB ILE 71 - HE3 LYS 40 lone 0 78 - 0 - QE MET 67 - HE2 LYS 39 lone 0 76 - 0 - QE MET 67 - HE3 LYS 39 lone 0 74 - 0 - HG LEU 45 - HE3 LYS 40 lone 0 59 - 1 - QE MET 67 - HE3 LYS 73 lone 0 77 - 0 - HG2 ARG 95 - HE2 LYS 39 lone 0 61 - 0 - HB ILE 7 - HE3 LYS 40 lone 0 77 - 0 - HB2 LYS 49 - HE3 LYS 40 lone 0 76 - 0 - HB2 LYS 49 - HE2 LYS 20 lone 0 66 - 0 - HB2 LYS 49 - HE3 LYS 20 lone 0 66 - 0 - HG2 ARG 95 - HE3 LYS 39 lone 0 58 - 0 - QE MET 67 - HE2 LYS 73 lone 0 72 - 0 - HB3 LYS 123 - HE2 LYS 20 lone 0 35 - 1 - HB3 LYS 123 - HE3 LYS 20 lone 0 35 - 1 - HB ILE 7 - HE3 LYS 20 lone 0 67 - 0 - HB ILE 7 - HE2 LYS 20 lone 0 67 - 0 - QE MET 67 - HE3 LYS 43 lone 0 76 - 0 - QE MET 67 - HE2 LYS 43 lone 0 75 - 0 - HB2 GLU 128 - HE3 LYS 20 lone 0 64 - 0 - HB2 GLU 128 - HE2 LYS 20 lone 0 64 - 0 - QE MET 67 - HE2 LYS 40 lone 0 61 - 0 - QE MET 67 - HE3 LYS 40 lone 0 53 - 0 - QE MET 67 - HE3 LYS 20 lone 0 45 - 0 - QE MET 67 - HE2 LYS 20 lone 0 45 - 0 - Peak 5206 from cnoeabs.peaks (1.89, 2.98, 41.78 ppm; 3.34 A): 12 out of 200 assignments used, quality = 1.00: HB2 LYS 73 + HE3 LYS 73 OK 77 100 - 77 - 4.9=32, 2.9/5197=7...(32) * HB3 LYS 73 + HE3 LYS 73 OK 77 100 - 77 - 4.9=32, 2.9/5197=7...(32) HB2 LYS 73 + HE2 LYS 73 OK 76 97 - 78 - 4.9=32, 2.9/5197=8...(34) HB3 LYS 73 + HE2 LYS 73 OK 76 97 - 78 - 4.9=32, 2.9/5197=8...(34) HB3 LYS 43 + HE2 LYS 43 OK 73 96 - 77 - 4.7=37, 3.0/3848=6...(42) HB3 LYS 43 + HE3 LYS 43 OK 73 96 - 75 - 4.7=37, 3.0/3848=6...(40) HB2 LYS 43 + HE2 LYS 43 OK 64 82 - 78 - 4.7=37, 3.0/3848=6...(42) HB2 LYS 43 + HE3 LYS 43 OK 63 83 - 76 - 4.7=37, 3.0/3848=6...(40) HB3 LYS 20 + HE2 LYS 20 OK 53 66 - 80 - 4.8=33, 2.9/3071=5...(40) HB3 LYS 20 + HE3 LYS 20 OK 53 66 - 80 - 4.8=33, 2.9/3071=5...(40) HB2 LYS 20 + HE2 LYS 20 OK 53 66 - 80 - 4.8=33, 2.9/3071=5...(40) HB2 LYS 20 + HE3 LYS 20 OK 53 66 - 80 - 4.8=33, 2.9/3071=5...(40) HB2 LYS 20 - HE2 LYS 43 OK 38 98 - 39 - 2.9/5198=2, 2.9/3884=2...(8) HB3 LYS 20 - HE2 LYS 43 OK 38 98 - 39 - 2.9/5198=2, 2.9/3884=2...(8) HB2 LYS 20 - HE2 LYS 73 OK 35 96 - 37 - 2.9/5198=2, 2.9/3884=2...(7) HB3 LYS 20 - HE2 LYS 73 OK 35 96 - 37 - 2.9/5198=2, 2.9/3884=2...(7) HB2 LYS 20 - HE3 LYS 43 OK 35 99 - 36 - 2.9/3071=2, 2.9/5198=2...(8) HB3 LYS 20 - HE3 LYS 43 OK 35 99 - 36 - 2.9/3071=2, 2.9/5198=2...(8) HB2 LYS 20 - HE3 LYS 73 OK 34 99 - 34 - 2.9/5198=2, 2.9/3884=2, ~5198=1 HB3 LYS 20 - HE3 LYS 73 OK 34 99 - 34 - 2.9/5198=2, 2.9/3884=2, ~5198=1 HB2 LYS 73 - HE2 LYS 43 OK 32 99 - 33 - 2.9/5197=3, 2.9/5171=3...(10) HB3 LYS 73 - HE2 LYS 43 OK 32 99 - 33 - 2.9/5197=3, 2.9/5171=3...(10) HB2 LYS 73 - HE3 LYS 43 OK 31 100 - 32 - 2.9/5171=3, 2.9/5197=2...(9) HB3 LYS 73 - HE3 LYS 43 OK 31 100 - 32 - 2.9/5171=3, 2.9/5197=2...(9) HB3 LYS 43 - HE2 LYS 73 OK 24 93 - 26 - 3.0/3848=2, 3.0/3885=1...(4) HB3 LYS 43 - HE3 LYS 73 OK 24 97 - 25 - 3.0/3848=2, 3.0/3885=1...(5) HB2 LYS 43 - HE3 LYS 73 OK 21 84 - 25 - 3.0/3848=2, 3.0/3885=1...(5) HB2 LYS 43 - HE2 LYS 73 OK 21 78 - 27 - 3.0/3848=2, 3.0/3885=1...(4) HB2 LYS 73 - HE2 LYS 20 OK 18 68 - 27 - 2.9/5172=2, 2.9/5162=2, ~5172=1 HB2 LYS 73 - HE3 LYS 20 OK 18 68 - 27 - 2.9/5172=2, 2.9/5162=2, ~5172=1 HB3 LYS 73 - HE2 LYS 20 OK 18 68 - 26 - 2.9/5172=2, 2.9/5162=2, ~5172=1 HB3 LYS 73 - HE3 LYS 20 OK 18 68 - 26 - 2.9/5172=2, 2.9/5162=2, ~5172=1 HB2 LYS 20 - HE2 LYS 40 OK 18 85 - 21 - 2.9/3071=1, 2.9/3081=1 HB3 LYS 20 - HE2 LYS 40 OK 18 85 - 21 - 2.9/3071=1, 2.9/3081=1 HB3 LYS 16 - HE2 LYS 40 OK 17 67 - 25 - 2744/3.9=1, 3.0/3723=1, ~6530=1 HB3 LYS 43 - HE3 LYS 20 OK 16 63 - 26 - 3.0/3849=2, 3824/3.9=1, ~3849=1 HB3 LYS 43 - HE2 LYS 20 OK 16 63 - 26 - 3.0/3849=2, 3824/3.9=1, ~3849=1 HB2 LYS 16 - HE2 LYS 40 OK 16 64 - 26 - 2744/3.9=1, 3.0/3723=1, ~6530=1 HB3 LYS 20 - HE3 LYS 40 OK 16 76 - 21 - 2.9/3070=1, 2.9/3080=1 HB2 LYS 20 - HE3 LYS 40 OK 16 76 - 21 - 2.9/3070=1, 2.9/3080=1 HB3 LYS 16 - HE3 LYS 40 OK 14 59 - 24 - 2744/3.9=1, 3.0/3723=1 HB2 LYS 43 - HE3 LYS 20 OK 14 50 - 27 - 3.0/3849=2, 3824/3.9=1, ~3849=1 HB2 LYS 43 - HE2 LYS 20 OK 14 50 - 27 - 3.0/3849=2, 3824/3.9=1, ~3849=1 HB2 LYS 16 - HE3 LYS 40 OK 13 56 - 24 - 2744/3.9=1, 3.0/3723=1 HB2 LYS 96 - HE3 LYS 73 OK 13 97 - 13 - HB3 LYS 43 - HE2 LYS 40 OK 12 81 - 15 - 3.0/3849=1, 8066/6.4=1 HB2 LYS 96 - HE2 LYS 73 OK 12 93 - 13 - HB2 LYS 96 - HE2 LYS 43 OK 11 96 - 12 - HB3 LYS 43 - HE3 LYS 40 OK 11 72 - 16 - 3.0/3849=1, 8066/6.4=1 HB2 LYS 96 - HE3 LYS 43 OK 11 96 - 12 - HB2 LYS 43 - HE2 LYS 40 OK 11 67 - 16 - 3.0/3849=1, 8066/6.4=1 HB2 LYS 43 - HE3 LYS 40 poor 10 59 - 16 - 3.0/3849=1, 8066/6.4=1 HB3 LYS 44 - HE2 LYS 39 poor 9 86 - 11 - HB3 LYS 44 - HE3 LYS 39 poor 9 83 - 11 - HB3 LYS 44 - HE3 LYS 43 poor 9 86 - 10 - HB3 LYS 44 - HE2 LYS 43 poor 9 85 - 10 - HB2 LYS 73 - HE2 LYS 40 lone 8 87 - 9 - HB3 LYS 73 - HE2 LYS 40 lone 8 87 - 9 - HB2 LYS 96 - HE2 LYS 40 lone 8 81 - 10 - 8066/6.4=1 HB2 LYS 96 - HE3 LYS 20 poor 8 63 - 12 - HB2 LYS 96 - HE2 LYS 20 poor 8 63 - 12 - HB3 LYS 44 - HE3 LYS 73 lone 8 87 - 9 - HB2 LYS 44 - HE2 LYS 39 poor 8 69 - 11 - HB2 LYS 44 - HE3 LYS 43 poor 8 69 - 11 - HB2 LYS 96 - HE2 LYS 39 lone 7 96 - 8 - HB2 LYS 44 - HE2 LYS 43 poor 7 68 - 11 - HB2 LYS 44 - HE3 LYS 39 poor 7 66 - 11 - HB2 LYS 73 - HE3 LYS 40 lone 7 78 - 9 - HB3 LYS 73 - HE3 LYS 40 lone 7 78 - 9 - HB2 LYS 96 - HE3 LYS 39 lone 7 94 - 8 - HB3 LYS 44 - HE2 LYS 73 lone 7 82 - 9 - HB2 LYS 73 - HE2 LYS 39 lone 7 100 - 7 - HB3 LYS 73 - HE2 LYS 39 lone 7 100 - 7 - HB2 LYS 73 - HE3 LYS 39 lone 7 99 - 7 - HB3 LYS 73 - HE3 LYS 39 lone 7 99 - 7 - HB2 LYS 96 - HE3 LYS 40 lone 7 72 - 9 - 8066/6.4=1 HB2 LYS 44 - HE3 LYS 73 lone 6 70 - 9 - HB2 LYS 44 - HE2 LYS 73 lone 6 64 - 9 - HB3 LYS 43 - HE2 LYS 39 lone 5 96 - 5 - HB3 LYS 43 - HE3 LYS 39 lone 5 94 - 5 - HB2 LYS 43 - HE2 LYS 39 lone 5 83 - 6 - HB3 LYS 20 - HE3 LYS 39 lone 5 97 - 5 - HB2 LYS 20 - HE3 LYS 39 lone 5 97 - 5 - HB2 LYS 20 - HE2 LYS 39 lone 5 99 - 4 - HB3 LYS 20 - HE2 LYS 39 lone 5 99 - 4 - HB2 LYS 43 - HE3 LYS 39 lone 5 80 - 6 - HB2 LEU 45 - HE3 LYS 73 lone 3 92 - 4 - HB2 LEU 45 - HE2 LYS 73 lone 3 87 - 4 - HB3 LYS 16 - HE3 LYS 73 lone 3 84 - 4 - HB2 LYS 16 - HE3 LYS 73 lone 3 81 - 4 - HB3 LYS 16 - HE2 LYS 73 lone 3 78 - 4 - HB2 LYS 16 - HE2 LYS 73 lone 3 75 - 4 - HB2 ARG 95 - HE2 LYS 40 lone 3 86 - 3 - 7789/7.5=1 HG LEU 45 - HE3 LYS 73 lone 3 87 - 3 - HG LEU 45 - HE2 LYS 73 lone 3 82 - 3 - HB3 LYS 16 - HE3 LYS 20 lone 3 50 - 5 - HB3 LYS 16 - HE2 LYS 20 lone 3 50 - 5 - HB2 ARG 95 - HE3 LYS 40 lone 2 77 - 3 - 7789/7.5=1 HB2 LYS 16 - HE3 LYS 20 lone 2 48 - 5 - HB2 LYS 16 - HE2 LYS 20 lone 2 48 - 5 - HB ILE 71 - HE3 LYS 73 lone 2 100 - 2 - HB ILE 71 - HE2 LYS 73 lone 2 97 - 2 - HB2 ARG 95 - HE3 LYS 73 lone 2 100 - 2 - HB2 ARG 95 - HE2 LYS 73 lone 2 97 - 2 - HB2 LEU 45 - HE2 LYS 43 lone 2 90 - 2 - HB2 LEU 45 - HE3 LYS 43 lone 2 91 - 2 - HG LEU 45 - HE2 LYS 43 lone 2 85 - 2 - HG LEU 45 - HE3 LYS 43 lone 2 86 - 2 - HB2 ARG 95 - HE3 LYS 20 lone 2 67 - 3 - HB2 ARG 95 - HE2 LYS 20 lone 2 67 - 3 - HB2 ARG 95 - HE3 LYS 43 lone 2 99 - 2 - HB2 ARG 95 - HE2 LYS 43 lone 2 99 - 2 - HB3 LYS 44 - HE2 LYS 20 lone 2 53 - 3 - HB3 LYS 44 - HE3 LYS 20 lone 2 53 - 3 - HB2 LEU 45 - HE2 LYS 20 lone 2 57 - 3 - HB2 LEU 45 - HE3 LYS 20 lone 2 57 - 3 - HB3 LYS 44 - HE2 LYS 40 lone 1 70 - 2 - HB3 LYS 16 - HE3 LYS 43 lone 1 83 - 2 - HB3 LYS 16 - HE2 LYS 43 lone 1 82 - 2 - HB2 LYS 16 - HE3 LYS 43 lone 1 80 - 2 - HB2 LYS 16 - HE2 LYS 43 lone 1 79 - 2 - HG LEU 45 - HE3 LYS 20 lone 1 53 - 2 - HG LEU 45 - HE2 LYS 20 lone 1 53 - 2 - HB2 LYS 44 - HE2 LYS 20 lone 1 40 - 3 - HB2 LYS 44 - HE3 LYS 20 lone 1 40 - 3 - HB3 LYS 44 - HE3 LYS 40 lone 1 62 - 2 - HB2 ARG 95 - HE2 LYS 39 lone 1 99 - 1 - HB2 LYS 44 - HE2 LYS 40 lone 1 54 - 2 - HB2 ARG 95 - HE3 LYS 39 lone 1 98 - 1 - HB2 LYS 44 - HE3 LYS 40 lone 1 47 - 2 - HG2 ARG 95 - HE3 LYS 73 lone 1 65 - 1 - HB3 LYS 16 - HE2 LYS 39 lone 1 83 - 1 - HB2 LYS 16 - HE2 LYS 39 lone 1 80 - 1 - HG2 ARG 95 - HE2 LYS 73 lone 1 61 - 1 - HB3 LYS 16 - HE3 LYS 39 lone 1 80 - 1 - HB2 LYS 16 - HE3 LYS 39 lone 1 77 - 1 - HG2 ARG 95 - HE2 LYS 43 lone 1 64 - 1 - HG2 ARG 95 - HE3 LYS 43 lone 1 65 - 1 - HB ILE 71 - HE2 LYS 39 lone 1 100 - 1 - HB ILE 71 - HE3 LYS 39 lone 1 98 - 1 - HG2 ARG 95 - HE2 LYS 20 lone 1 37 - 2 - HG2 ARG 95 - HE3 LYS 20 lone 1 37 - 2 - HB ILE 71 - HE2 LYS 43 lone 1 99 - 1 - HB ILE 71 - HE3 LYS 43 lone 1 100 - 1 - HB ILE 7 - HE2 LYS 39 lone 0 100 - 1 - HB2 LEU 45 - HE2 LYS 39 lone 1 91 - 1 - HB ILE 7 - HE3 LYS 39 lone 0 98 - 1 - HG2 ARG 95 - HE2 LYS 40 lone 1 50 - 1 - HB2 LEU 45 - HE3 LYS 39 lone 0 89 - 1 - HG LEU 45 - HE2 LYS 39 lone 0 86 - 1 - HB2 LYS 49 - HE2 LYS 39 lone 0 98 - 0 - HB2 LYS 49 - HE3 LYS 39 lone 0 97 - 0 - HG LEU 45 - HE3 LYS 39 lone 0 83 - 1 - HG2 ARG 95 - HE3 LYS 40 lone 0 44 - 1 - HB2 LYS 49 - HE3 LYS 73 lone 0 99 - 0 - HB2 LYS 49 - HE2 LYS 43 lone 0 98 - 0 - HB2 LYS 49 - HE3 LYS 43 lone 0 98 - 0 - HB ILE 7 - HE2 LYS 43 lone 0 99 - 0 - HB2 LYS 49 - HE2 LYS 73 lone 0 95 - 0 - HB ILE 7 - HE3 LYS 43 lone 0 100 - 0 - HB ILE 7 - HE3 LYS 73 lone 0 100 - 0 - HB ILE 7 - HE2 LYS 73 lone 0 97 - 0 - HB ILE 71 - HE2 LYS 20 lone 0 68 - 1 - HB ILE 71 - HE3 LYS 20 lone 0 68 - 1 - HB2 GLU 128 - HE2 LYS 40 lone 0 81 - 0 - HB2 LEU 45 - HE2 LYS 40 lone 0 75 - 1 - HB2 GLU 128 - HE2 LYS 39 lone 0 96 - 0 - HB2 GLU 128 - HE3 LYS 73 lone 0 97 - 0 - HB2 GLU 128 - HE3 LYS 39 lone 0 94 - 0 - HB ILE 71 - HE2 LYS 40 lone 0 86 - 0 - HG LEU 45 - HE2 LYS 40 lone 0 70 - 1 - HB2 GLU 128 - HE2 LYS 73 lone 0 93 - 0 - HB2 GLU 128 - HE3 LYS 43 lone 0 96 - 0 - HB2 GLU 128 - HE2 LYS 43 lone 0 96 - 0 - QE MET 67 - HE2 LYS 39 lone 0 80 - 0 - HB2 LEU 45 - HE3 LYS 40 lone 0 66 - 1 - HB2 GLU 128 - HE3 LYS 40 lone 0 72 - 0 - HG2 ARG 95 - HE2 LYS 39 lone 0 65 - 1 - HB ILE 7 - HE2 LYS 40 lone 0 86 - 0 - HB2 LYS 49 - HE2 LYS 40 lone 0 84 - 0 - HB ILE 71 - HE3 LYS 40 lone 0 78 - 0 - QE MET 67 - HE3 LYS 39 lone 0 77 - 0 - HG LEU 45 - HE3 LYS 40 lone 0 62 - 1 - QE MET 67 - HE3 LYS 73 lone 0 81 - 0 - HG2 ARG 95 - HE3 LYS 39 lone 0 62 - 1 - HB ILE 7 - HE3 LYS 40 lone 0 78 - 0 - QE MET 67 - HE2 LYS 73 lone 0 75 - 0 - HB2 LYS 49 - HE3 LYS 40 lone 0 75 - 0 - HB2 LYS 49 - HE2 LYS 20 lone 0 65 - 0 - HB2 LYS 49 - HE3 LYS 20 lone 0 65 - 0 - HB ILE 7 - HE3 LYS 20 lone 0 68 - 0 - HB ILE 7 - HE2 LYS 20 lone 0 68 - 0 - QE MET 67 - HE3 LYS 43 lone 0 80 - 0 - QE MET 67 - HE2 LYS 43 lone 0 79 - 0 - HB2 GLU 128 - HE3 LYS 20 lone 0 63 - 0 - HB2 GLU 128 - HE2 LYS 20 lone 0 63 - 0 - QE MET 67 - HE2 LYS 40 lone 0 64 - 0 - QE MET 67 - HE3 LYS 40 lone 0 56 - 0 - QE MET 67 - HE3 LYS 20 lone 0 48 - 0 - QE MET 67 - HE2 LYS 20 lone 0 48 - 0 - Peak 5207 from cnoeabs.peaks (1.60, 2.98, 41.78 ppm; 2.95 A): 2 out of 90 assignments used, quality = 0.96: * HG2 LYS 73 + HE3 LYS 73 OK 79 100 - 79 - 3.8=47, 1.8/5198=7...(19) HG2 LYS 73 + HE2 LYS 73 OK 79 97 - 81 - 3.8=47, 1.8/5198=7...(21) HG2 LYS 73 - HE2 LYS 43 OK 28 99 - 28 - 1.8/5171=3, 5162=3...(8) HG2 LYS 73 - HE3 LYS 43 OK 26 100 - 27 - 1.8/5171=3, 5162=3...(8) HG2 LYS 73 - HE3 LYS 20 OK 15 68 - 23 - 5162=2, 1.8/5172=2...(6) HG2 LYS 73 - HE2 LYS 20 OK 15 68 - 23 - 5162=2, 1.8/5172=2...(6) HG2 LYS 73 - HE2 LYS 40 lone 7 87 - 8 - HG2 LYS 73 - HE3 LYS 40 lone 6 78 - 8 - HG2 LYS 44 - HE2 LYS 39 lone 6 76 - 8 - HG2 LYS 44 - HE3 LYS 39 lone 6 74 - 8 - HG2 LYS 73 - HE2 LYS 39 lone 6 100 - 5 - HG2 LYS 44 - HE3 LYS 73 lone 6 77 - 7 - HG2 LYS 73 - HE3 LYS 39 lone 6 99 - 6 - HG2 LYS 44 - HE3 LYS 43 lone 6 76 - 7 - HG2 LYS 44 - HE2 LYS 43 lone 5 75 - 7 - HG2 LYS 44 - HE2 LYS 73 lone 5 72 - 7 - HG3 LYS 19 - HE2 LYS 20 lone 1 68 - 2 - 114/7.0=1 HG3 LYS 19 - HE3 LYS 20 lone 1 68 - 2 - 114/7.0=1 HG LEU 68 - HE3 LYS 73 lone 1 94 - 1 - HG LEU 68 - HE2 LYS 73 lone 1 89 - 1 - HD2 LYS 19 - HE3 LYS 20 lone 1 67 - 2 - HD2 LYS 19 - HE2 LYS 20 lone 1 67 - 2 - HD3 LYS 19 - HE3 LYS 20 lone 1 67 - 2 - HD3 LYS 19 - HE2 LYS 20 lone 1 67 - 2 - HG2 LYS 44 - HE2 LYS 20 lone 1 45 - 2 - HG2 LYS 44 - HE3 LYS 20 lone 1 45 - 2 - HG LEU 68 - HE2 LYS 43 lone 1 92 - 1 - HG LEU 68 - HE3 LYS 43 lone 1 93 - 1 - HD2 LYS 19 - HE2 LYS 39 lone 1 99 - 1 - HD3 LYS 19 - HE2 LYS 39 lone 1 99 - 1 - HD2 LYS 19 - HE3 LYS 39 lone 1 98 - 1 - HD3 LYS 19 - HE3 LYS 39 lone 1 98 - 1 - HG2 LYS 44 - HE2 LYS 40 lone 1 61 - 1 - HG2 LYS 44 - HE3 LYS 40 lone 1 53 - 1 - HG3 LYS 19 - HE3 LYS 73 lone 0 100 - 0 - HG LEU 68 - HE2 LYS 20 lone 0 59 - 1 - HG LEU 68 - HE3 LYS 20 lone 0 59 - 1 - HG3 LYS 19 - HE2 LYS 73 lone 0 97 - 0 - HD3 LYS 19 - HE3 LYS 73 lone 0 100 - 0 - HD2 LYS 19 - HE3 LYS 73 lone 0 100 - 0 - HG LEU 82 - HE3 LYS 73 lone 0 100 - 0 - HD3 LYS 19 - HE2 LYS 73 lone 0 97 - 0 - HD2 LYS 19 - HE2 LYS 73 lone 0 97 - 0 - HG LEU 82 - HE2 LYS 73 lone 0 97 - 0 - HB3 LEU 127 - HE3 LYS 73 lone 0 73 - 0 - HG3 LYS 19 - HE3 LYS 43 lone 0 100 - 0 - HG3 LYS 19 - HE2 LYS 43 lone 0 99 - 0 - HB3 LEU 127 - HE2 LYS 73 lone 0 68 - 0 - HG LEU 68 - HE2 LYS 39 lone 0 93 - 0 - HD2 LYS 19 - HE3 LYS 43 lone 0 99 - 0 - HD3 LYS 19 - HE3 LYS 43 lone 0 99 - 0 - HD2 LYS 19 - HE2 LYS 43 lone 0 99 - 0 - HD3 LYS 19 - HE2 LYS 43 lone 0 99 - 0 - HB3 LEU 127 - HE3 LYS 43 lone 0 73 - 0 - HG LEU 68 - HE3 LYS 39 lone 0 91 - 0 - HB3 LEU 127 - HE2 LYS 43 lone 0 71 - 0 - HG LEU 68 - HE2 LYS 40 lone 0 77 - 0 - HB3 LEU 127 - HE2 LYS 39 lone 0 73 - 0 - HG LEU 82 - HE3 LYS 43 lone 0 100 - 0 - HB3 LEU 127 - HE3 LYS 39 lone 0 70 - 0 - HG LEU 82 - HE2 LYS 43 lone 0 99 - 0 - HG LEU 82 - HE2 LYS 40 lone 0 87 - 0 - HG12 ILE 116 - HE3 LYS 73 lone 0 84 - 0 - HG LEU 82 - HE2 LYS 39 lone 0 100 - 0 - HG LEU 82 - HE3 LYS 39 lone 0 99 - 0 - HG3 LYS 19 - HE2 LYS 39 lone 0 100 - 0 - HG3 LYS 19 - HE3 LYS 39 lone 0 99 - 0 - HG LEU 68 - HE3 LYS 40 lone 0 69 - 0 - HG12 ILE 116 - HE2 LYS 73 lone 0 78 - 0 - HG LEU 82 - HE3 LYS 40 lone 0 78 - 0 - HG LEU 82 - HE2 LYS 20 lone 0 68 - 0 - HG LEU 82 - HE3 LYS 20 lone 0 68 - 0 - HG12 ILE 116 - HE3 LYS 43 lone 0 83 - 0 - HG12 ILE 116 - HE2 LYS 43 lone 0 82 - 0 - HD3 LYS 19 - HE2 LYS 40 lone 0 86 - 0 - HD2 LYS 19 - HE2 LYS 40 lone 0 86 - 0 - HG3 LYS 19 - HE2 LYS 40 lone 0 87 - 0 - HG12 ILE 116 - HE2 LYS 39 lone 0 83 - 0 - HG12 ILE 116 - HE3 LYS 39 lone 0 80 - 0 - HB3 LEU 127 - HE2 LYS 40 lone 0 57 - 0 - HD2 LYS 19 - HE3 LYS 40 lone 0 77 - 0 - HD3 LYS 19 - HE3 LYS 40 lone 0 77 - 0 - HG3 LYS 19 - HE3 LYS 40 lone 0 78 - 0 - HG12 ILE 116 - HE2 LYS 40 lone 0 67 - 0 - HB3 LEU 127 - HE3 LYS 40 lone 0 50 - 0 - HG12 ILE 116 - HE3 LYS 40 lone 0 59 - 0 - HG12 ILE 116 - HE2 LYS 20 lone 0 50 - 0 - HG12 ILE 116 - HE3 LYS 20 lone 0 50 - 0 - HB3 LEU 127 - HE2 LYS 20 lone 0 43 - 0 - HB3 LEU 127 - HE3 LYS 20 lone 0 43 - 0 - Peak 5208 from cnoeabs.peaks (1.48, 2.98, 41.78 ppm; 2.86 A): 4 out of 110 assignments used, quality = 0.99: * HG3 LYS 73 + HE3 LYS 73 OK 77 100 - 77 - 3.8=43, 1.8/5197=8...(17) HG3 LYS 73 + HE2 LYS 73 OK 76 97 - 78 - 3.8=43, 1.8/5197=8...(17) HG3 LYS 20 + HE2 LYS 20 OK 49 68 - 72 - 3.9=40, 3078/3.0=7...(17) HG3 LYS 20 + HE3 LYS 20 OK 49 68 - 72 - 3.9=40, 3078/3.0=7...(17) HG3 LYS 73 - HE2 LYS 43 OK 26 99 - 26 - 1.8/5197=3, 5171=3...(9) HG3 LYS 73 - HE3 LYS 43 OK 26 100 - 26 - 5171=3, 5171/1.8=3...(9) HG3 LYS 20 - HE2 LYS 43 OK 25 99 - 26 - 3081/1.8=2, 3079/3.0=2...(8) HG3 LYS 20 - HE3 LYS 43 OK 25 100 - 25 - 3079/3.0=2, 1.8/3070=2...(8) HG3 LYS 20 - HE3 LYS 73 OK 24 100 - 24 - 3078/2.9=2, 3079/2.9=2...(5) HG3 LYS 20 - HE2 LYS 73 OK 23 97 - 24 - 3078/2.9=2, 3079/2.9=2...(7) HG3 LYS 73 - HE2 LYS 20 OK 14 68 - 20 - 5170/3.0=2, 5170/3.0=2...(5) HG3 LYS 73 - HE3 LYS 20 OK 14 68 - 20 - 5170/3.0=2, 5170/3.0=2...(5) HG3 LYS 20 - HE2 LYS 40 OK 11 86 - 13 - 3080/1.8=1, 3081=1, 1.8/3070=1 HG3 LYS 20 - HE3 LYS 40 OK 10 78 - 13 - 3081/1.8=1, 3081=1, 1.8/3070=1 HG3 LYS 73 - HE2 LYS 40 lone 6 87 - 7 - HG3 LYS 73 - HE3 LYS 40 lone 6 78 - 7 - HG3 LYS 73 - HE2 LYS 39 lone 6 100 - 5 - HG3 LYS 73 - HE3 LYS 39 lone 6 99 - 5 - HG3 LYS 20 - HE2 LYS 39 lone 3 100 - 3 - HG3 LYS 20 - HE3 LYS 39 lone 3 98 - 3 - HB3 LEU 45 - HE3 LYS 73 lone 3 96 - 3 - HB3 LEU 45 - HE2 LYS 73 lone 3 91 - 3 - HB2 LEU 74 - HE3 LYS 73 lone 2 87 - 2 - HB2 LEU 74 - HE2 LYS 73 lone 1 82 - 2 - HB3 LEU 45 - HE3 LYS 43 lone 1 95 - 1 - HB3 LEU 45 - HE2 LYS 43 lone 1 94 - 1 - HB3 LEU 45 - HE3 LYS 20 lone 1 61 - 2 - HB3 LEU 45 - HE2 LYS 20 lone 1 61 - 2 - HB3 LEU 38 - HE2 LYS 39 lone 1 69 - 1 - HB3 LEU 38 - HE3 LYS 39 lone 1 66 - 1 - HG3 ARG 118 - HE2 LYS 20 lone 1 65 - 1 - HG3 ARG 118 - HE3 LYS 20 lone 1 65 - 1 - HG3 ARG 118 - HE3 LYS 73 lone 0 99 - 0 - HG3 ARG 118 - HE2 LYS 73 lone 0 95 - 0 - HB3 LEU 45 - HE2 LYS 39 lone 0 95 - 0 - HB3 LEU 45 - HE3 LYS 39 lone 0 93 - 0 - HB3 LEU 38 - HE3 LYS 73 lone 0 70 - 0 - HB2 LEU 74 - HE2 LYS 39 lone 0 86 - 0 - HB3 LEU 38 - HE3 LYS 43 lone 0 69 - 0 - HB2 LEU 74 - HE3 LYS 39 lone 0 83 - 0 - HG12 ILE 57 - HE3 LYS 20 lone 0 37 - 1 - HG12 ILE 57 - HE2 LYS 20 lone 0 37 - 1 - HB3 LEU 38 - HE2 LYS 43 lone 0 68 - 0 - HB3 LEU 38 - HE2 LYS 40 lone 0 54 - 1 - HB3 LEU 38 - HE2 LYS 73 lone 0 64 - 0 - HG3 ARG 118 - HE3 LYS 43 lone 0 98 - 0 - HG3 ARG 118 - HE2 LYS 43 lone 0 98 - 0 - HB2 LEU 74 - HE2 LYS 43 lone 0 85 - 0 - HB2 LEU 74 - HE3 LYS 43 lone 0 86 - 0 - HD2 LYS 53 - HE3 LYS 73 lone 0 100 - 0 - HD2 LYS 53 - HE2 LYS 73 lone 0 97 - 0 - HG3 ARG 118 - HE2 LYS 39 lone 0 98 - 0 - HG3 ARG 118 - HE2 LYS 40 lone 0 84 - 0 - HB3 LEU 45 - HE2 LYS 40 lone 0 79 - 0 - HG3 ARG 118 - HE3 LYS 39 lone 0 97 - 0 - HG2 LYS 106 - HE2 LYS 20 lone 0 37 - 1 - HG2 LYS 106 - HE3 LYS 20 lone 0 37 - 1 - HD2 LYS 53 - HE3 LYS 43 lone 0 100 - 0 - HD2 LYS 53 - HE2 LYS 43 lone 0 99 - 0 - HB3 LEU 38 - HE2 LYS 20 lone 0 40 - 1 - HB3 LEU 38 - HE3 LYS 20 lone 0 40 - 1 - HB3 LEU 45 - HE3 LYS 40 lone 0 71 - 0 - HD2 LYS 53 - HE2 LYS 39 lone 0 100 - 0 - HB2 LEU 74 - HE2 LYS 20 lone 0 53 - 0 - HB2 LEU 74 - HE3 LYS 20 lone 0 53 - 0 - HD2 LYS 53 - HE3 LYS 39 lone 0 98 - 0 - HG3 ARG 118 - HE3 LYS 40 lone 0 75 - 0 - HB3 LEU 38 - HE3 LYS 40 lone 0 47 - 0 - HG2 LYS 106 - HE2 LYS 39 lone 0 65 - 0 - HD2 LYS 53 - HE2 LYS 40 lone 0 86 - 0 - HG2 LYS 106 - HE3 LYS 73 lone 0 65 - 0 - HG2 LYS 106 - HE3 LYS 39 lone 0 62 - 0 - HG2 LYS 106 - HE2 LYS 40 lone 0 50 - 0 - HG12 ILE 57 - HE3 LYS 73 lone 0 65 - 0 - HD2 LYS 53 - HE3 LYS 20 lone 0 68 - 0 - HD2 LYS 53 - HE2 LYS 20 lone 0 68 - 0 - HB2 LEU 74 - HE2 LYS 40 lone 0 70 - 0 - HG2 LYS 106 - HE3 LYS 43 lone 0 65 - 0 - HG12 ILE 7 - HE3 LYS 73 lone 0 61 - 0 - HD2 LYS 53 - HE3 LYS 40 lone 0 78 - 0 - HG2 LYS 106 - HE2 LYS 73 lone 0 61 - 0 - HG12 ILE 57 - HE2 LYS 73 lone 0 61 - 0 - HG12 ILE 7 - HE3 LYS 43 lone 0 61 - 0 - HG12 ILE 7 - HE2 LYS 39 lone 0 61 - 0 - HG2 LYS 106 - HE2 LYS 43 lone 0 64 - 0 - HG12 ILE 7 - HE2 LYS 43 lone 0 60 - 0 - HG2 ARG 30 - HE3 LYS 73 lone 0 61 - 0 - HG12 ILE 7 - HE2 LYS 73 lone 0 57 - 0 - HG12 ILE 7 - HE3 LYS 39 lone 0 58 - 0 - HG12 ILE 57 - HE3 LYS 43 lone 0 65 - 0 - HG12 ILE 57 - HE2 LYS 43 lone 0 64 - 0 - HG2 ARG 30 - HE3 LYS 43 lone 0 61 - 0 - HG2 ARG 30 - HE2 LYS 43 lone 0 60 - 0 - HG2 ARG 30 - HE2 LYS 73 lone 0 57 - 0 - HB2 LEU 74 - HE3 LYS 40 lone 0 62 - 0 - HG12 ILE 57 - HE2 LYS 39 lone 0 65 - 0 - HG2 ARG 30 - HE2 LYS 39 lone 0 61 - 0 - HG12 ILE 57 - HE3 LYS 39 lone 0 62 - 0 - HG2 ARG 30 - HE3 LYS 39 lone 0 58 - 0 - HG2 LYS 106 - HE3 LYS 40 lone 0 44 - 0 - HG12 ILE 57 - HE2 LYS 40 lone 0 50 - 0 - HG12 ILE 7 - HE2 LYS 40 lone 0 47 - 0 - HG2 ARG 30 - HE2 LYS 40 lone 0 47 - 0 - HG12 ILE 57 - HE3 LYS 40 lone 0 44 - 0 - HG12 ILE 7 - HE3 LYS 20 lone 0 35 - 0 - HG12 ILE 7 - HE2 LYS 20 lone 0 35 - 0 - HG12 ILE 7 - HE3 LYS 40 lone 0 41 - 0 - HG2 ARG 30 - HE3 LYS 40 lone 0 41 - 0 - HG2 ARG 30 - HE2 LYS 20 lone 0 35 - 0 - HG2 ARG 30 - HE3 LYS 20 lone 0 35 - 0 - Peak 5209 from cnoeabs.peaks (1.68, 2.98, 41.78 ppm; 2.40 A): 16 out of 220 assignments used, quality = 1.00: * HD2 LYS 73 + HE3 LYS 73 OK 70 100 - 70 - 2.9=56, 3.0/5197=4...(14) HD3 LYS 73 + HE3 LYS 73 OK 70 100 - 70 - 2.9=56, 3.0/5197=4...(14) HD2 LYS 73 + HE2 LYS 73 OK 69 97 - 71 - 2.9=56, 3.0/5197=4...(14) HD3 LYS 73 + HE2 LYS 73 OK 69 97 - 71 - 2.9=56, 3.0/5197=4...(14) HD3 LYS 43 + HE2 LYS 43 OK 67 99 - 68 - 3.0=52, 3847/3.9=3...(11) HD3 LYS 43 + HE3 LYS 43 OK 67 100 - 67 - 3.0=52, 3847/3.9=3...(11) HD2 LYS 43 + HE2 LYS 43 OK 66 97 - 68 - 3.0=52, 3846/3.9=3...(11) HD2 LYS 43 + HE3 LYS 43 OK 65 98 - 67 - 3.0=52, 3846/3.9=3...(11) HD2 LYS 40 + HE2 LYS 40 OK 60 86 - 70 - 3.0=53, 3707/1.8=4...(18) HD3 LYS 40 + HE2 LYS 40 OK 59 85 - 70 - 3.0=53, 3707/1.8=4...(18) HD2 LYS 40 + HE3 LYS 40 OK 54 77 - 70 - 3.0=53, 3707/1.8=4...(18) HD3 LYS 40 + HE3 LYS 40 OK 54 76 - 70 - 3.0=53, 3717/1.8=4...(18) HD3 LYS 20 + HE2 LYS 20 OK 47 68 - 69 - 3.0=52, 3079/3.9=3...(13) HD3 LYS 20 + HE3 LYS 20 OK 47 68 - 69 - 3.0=52, 3079/3.9=3...(13) HD2 LYS 20 + HE2 LYS 20 OK 47 67 - 69 - 3.0=52, 3079/3.9=3...(13) HD2 LYS 20 + HE3 LYS 20 OK 47 67 - 69 - 3.0=52, 3079/3.9=3...(13) HG3 LYS 39 - HE2 LYS 39 OK 44 80 - 56 - 3.6=30, 1.8/3632=5...(16) HG3 LYS 39 - HE3 LYS 39 OK 43 77 - 56 - 3.6=30, 1.8/3642=5...(16) HD3 LYS 20 - HE2 LYS 43 OK 17 99 - 17 - 3.0/5198=1, 3.0/3884=1 HD2 LYS 20 - HE2 LYS 43 OK 17 99 - 17 - 3.0/5198=1, 3.0/3884=1 HD3 LYS 20 - HE2 LYS 73 OK 16 97 - 16 - HD2 LYS 20 - HE2 LYS 73 OK 15 97 - 16 - HD3 LYS 20 - HE3 LYS 43 OK 15 100 - 16 - HD2 LYS 20 - HE3 LYS 43 OK 15 99 - 16 - HD3 LYS 20 - HE3 LYS 73 OK 15 100 - 15 - HD2 LYS 20 - HE3 LYS 73 OK 15 100 - 15 - HD2 LYS 73 - HE2 LYS 43 OK 13 99 - 13 - 3.0/5197=1, 3.0/5171=1 HD3 LYS 73 - HE2 LYS 43 OK 13 99 - 13 - 3.0/5197=1, 3.0/5171=1 HD2 LYS 73 - HE3 LYS 43 OK 12 100 - 12 - 3.0/5171=1, 3.0/5197=1 HD3 LYS 73 - HE3 LYS 43 OK 12 100 - 12 - 3.0/5171=1, 3.0/5197=1 HD2 LYS 16 - HE2 LYS 40 OK 11 87 - 13 - 3694/3.9=1 HD2 LYS 40 - HE2 LYS 43 OK 11 99 - 11 - HD3 LYS 40 - HE2 LYS 43 OK 11 98 - 11 - HD3 LYS 16 - HE2 LYS 40 OK 11 85 - 13 - 3694/3.9=1 HD2 LYS 40 - HE3 LYS 43 OK 11 99 - 11 - HD3 LYS 40 - HE3 LYS 43 OK 11 99 - 11 - HD3 LYS 43 - HE2 LYS 73 OK 11 97 - 11 - HD2 LYS 43 - HE2 LYS 73 OK 10 94 - 11 - HD3 LYS 43 - HE3 LYS 73 OK 10 100 - 10 - HD2 LYS 43 - HE3 LYS 73 OK 10 98 - 10 - HD2 LYS 16 - HE3 LYS 40 poor 10 78 - 13 - 3694/3.9=1 HD3 LYS 16 - HE3 LYS 40 poor 9 76 - 12 - 3694/3.9=1 HD3 LYS 20 - HE2 LYS 40 lone 8 86 - 9 - HD2 LYS 20 - HE2 LYS 40 lone 8 86 - 9 - HD3 LYS 20 - HE3 LYS 40 lone 7 78 - 9 - HD2 LYS 20 - HE3 LYS 40 lone 7 77 - 9 - HD2 LYS 40 - HE3 LYS 20 poor 7 67 - 10 - HD2 LYS 40 - HE2 LYS 20 poor 7 67 - 10 - HD3 LYS 43 - HE2 LYS 40 lone 7 87 - 8 - HD2 LYS 73 - HE2 LYS 20 poor 7 68 - 10 - HD2 LYS 73 - HE3 LYS 20 poor 7 68 - 10 - HD3 LYS 73 - HE2 LYS 20 poor 7 68 - 10 - HD3 LYS 73 - HE3 LYS 20 poor 7 68 - 10 - HD3 LYS 40 - HE2 LYS 20 poor 7 66 - 10 - HD3 LYS 40 - HE3 LYS 20 poor 7 66 - 10 - HD2 LYS 40 - HE2 LYS 73 lone 7 97 - 7 - HD3 LYS 40 - HE2 LYS 73 lone 7 96 - 7 - HD2 LYS 43 - HE2 LYS 40 lone 7 83 - 8 - HD3 LYS 43 - HE2 LYS 20 lone 7 68 - 10 - HD3 LYS 43 - HE3 LYS 20 lone 7 68 - 10 - HD2 LYS 40 - HE3 LYS 73 lone 7 100 - 6 - HD3 LYS 40 - HE3 LYS 73 lone 6 99 - 6 - HD3 LYS 43 - HE3 LYS 40 lone 6 78 - 8 - HD3 LYS 96 - HE3 LYS 73 lone 6 100 - 6 - HD2 LYS 96 - HE3 LYS 73 lone 6 99 - 6 - HD2 LYS 43 - HE2 LYS 20 lone 6 64 - 10 - HD2 LYS 43 - HE3 LYS 20 lone 6 64 - 10 - HD3 LYS 96 - HE2 LYS 73 lone 6 97 - 6 - HD2 LYS 43 - HE3 LYS 40 lone 6 74 - 8 - HD2 LYS 96 - HE2 LYS 73 lone 6 96 - 6 - HD3 LYS 96 - HE2 LYS 43 lone 5 99 - 5 - HD2 LYS 96 - HE2 LYS 43 lone 5 98 - 5 - HD3 LYS 96 - HE3 LYS 43 lone 5 100 - 5 - HD2 LYS 96 - HE3 LYS 43 lone 5 99 - 5 - HD2 LYS 40 - HE3 LYS 39 lone 5 98 - 5 - HD2 LYS 40 - HE2 LYS 39 lone 5 99 - 5 - HD3 LYS 40 - HE3 LYS 39 lone 5 97 - 5 - HD3 LYS 40 - HE2 LYS 39 lone 5 99 - 5 - HD3 LYS 96 - HE3 LYS 20 lone 4 68 - 6 - HD3 LYS 96 - HE2 LYS 20 lone 4 68 - 6 - HD2 LYS 96 - HE3 LYS 20 lone 4 66 - 6 - HD2 LYS 96 - HE2 LYS 20 lone 4 66 - 6 - HD2 LYS 73 - HE2 LYS 40 lone 4 87 - 4 - HD3 LYS 73 - HE2 LYS 40 lone 4 87 - 4 - HD2 LYS 73 - HE3 LYS 40 lone 3 78 - 4 - HD3 LYS 73 - HE3 LYS 40 lone 3 78 - 4 - HD3 LYS 96 - HE2 LYS 40 lone 3 86 - 4 - HD2 LYS 96 - HE2 LYS 40 lone 3 85 - 4 - HG3 LYS 39 - HE2 LYS 40 lone 3 64 - 5 - HG3 LYS 39 - HE2 LYS 43 lone 3 79 - 4 - HG3 LYS 39 - HE3 LYS 43 lone 3 80 - 4 - HD2 LYS 44 - HE2 LYS 39 lone 3 73 - 4 - HD3 LYS 96 - HE3 LYS 40 lone 3 78 - 4 - HD2 LYS 96 - HE3 LYS 40 lone 3 76 - 4 - HD2 LYS 44 - HE3 LYS 39 lone 3 70 - 4 - HD2 LYS 73 - HE2 LYS 39 lone 3 100 - 3 - HD3 LYS 73 - HE2 LYS 39 lone 3 100 - 3 - HD2 LYS 73 - HE3 LYS 39 lone 3 99 - 3 - HD3 LYS 73 - HE3 LYS 39 lone 3 99 - 3 - HD3 LYS 96 - HE2 LYS 39 lone 3 100 - 3 - HD2 LYS 96 - HE2 LYS 39 lone 3 99 - 3 - HD3 LYS 96 - HE3 LYS 39 lone 2 98 - 3 - HD3 LYS 44 - HE2 LYS 39 lone 2 65 - 4 - HD2 LYS 96 - HE3 LYS 39 lone 2 97 - 3 - HD2 LYS 44 - HE3 LYS 43 lone 2 73 - 3 - HD2 LYS 44 - HE3 LYS 73 lone 2 73 - 3 - HD3 LYS 44 - HE3 LYS 39 lone 2 62 - 4 - HD2 LYS 44 - HE2 LYS 43 lone 2 71 - 3 - HG3 LYS 39 - HE3 LYS 40 lone 2 56 - 4 - HD3 LYS 43 - HE2 LYS 39 lone 2 100 - 2 - HD3 LYS 43 - HE3 LYS 39 lone 2 99 - 2 - HD2 LYS 44 - HE2 LYS 73 lone 2 68 - 3 - HD2 LYS 43 - HE2 LYS 39 lone 2 98 - 2 - HD2 LYS 43 - HE3 LYS 39 lone 2 96 - 2 - HD3 LYS 44 - HE3 LYS 43 lone 2 65 - 3 - HD3 LYS 44 - HE3 LYS 73 lone 2 65 - 3 - HD3 LYS 44 - HE2 LYS 43 lone 2 64 - 3 - HD3 LYS 20 - HE3 LYS 39 lone 2 98 - 2 - HD2 LYS 20 - HE3 LYS 39 lone 2 98 - 2 - HD3 LYS 20 - HE2 LYS 39 lone 2 100 - 2 - HD2 LYS 20 - HE2 LYS 39 lone 2 99 - 2 - HD3 LYS 44 - HE2 LYS 73 lone 2 61 - 3 - HG3 LYS 39 - HE3 LYS 73 lone 2 81 - 2 - HG3 LYS 39 - HE2 LYS 73 lone 2 75 - 2 - HD2 LYS 16 - HE2 LYS 20 lone 2 68 - 2 - HD2 LYS 16 - HE3 LYS 20 lone 2 68 - 2 - HD3 LYS 16 - HE2 LYS 20 lone 1 66 - 2 - HD3 LYS 16 - HE3 LYS 20 lone 1 66 - 2 - HG3 LYS 123 - HE2 LYS 39 lone 1 80 - 2 - HG3 LYS 123 - HE3 LYS 39 lone 1 77 - 2 - HD2 LYS 16 - HE2 LYS 73 lone 1 97 - 1 - HD2 LYS 16 - HE3 LYS 73 lone 1 100 - 1 - HD3 LYS 16 - HE2 LYS 73 lone 1 96 - 1 - HD3 LYS 16 - HE3 LYS 73 lone 1 99 - 1 - HD2 LYS 16 - HE2 LYS 43 lone 1 99 - 1 - HD2 LYS 16 - HE3 LYS 43 lone 1 100 - 1 - HD3 LYS 16 - HE2 LYS 43 lone 1 98 - 1 - HD3 LYS 16 - HE3 LYS 43 lone 1 99 - 1 - HD2 LYS 17 - HE2 LYS 40 lone 1 85 - 1 - HD2 LYS 17 - HE3 LYS 40 lone 1 76 - 1 - HG3 ARG 95 - HE3 LYS 73 lone 1 94 - 1 - HG3 ARG 95 - HE2 LYS 40 lone 1 77 - 1 - HG3 ARG 95 - HE2 LYS 73 lone 1 89 - 1 - HG3 ARG 95 - HE3 LYS 43 lone 1 93 - 1 - HG3 ARG 95 - HE2 LYS 43 lone 1 92 - 1 - HG12 ILE 71 - HE3 LYS 73 lone 1 94 - 1 - HG3 ARG 95 - HE3 LYS 40 lone 1 69 - 1 - HG12 ILE 71 - HE2 LYS 73 lone 1 89 - 1 - HD2 LYS 16 - HE2 LYS 39 lone 1 100 - 1 - HD2 LYS 16 - HE3 LYS 39 lone 1 99 - 1 - HD3 LYS 16 - HE2 LYS 39 lone 1 99 - 1 - HD3 LYS 16 - HE3 LYS 39 lone 1 97 - 1 - HD2 LYS 17 - HE3 LYS 20 lone 1 66 - 1 - HD2 LYS 17 - HE2 LYS 20 lone 1 66 - 1 - HD2 LYS 17 - HE2 LYS 43 lone 1 98 - 1 - HD2 LYS 17 - HE3 LYS 43 lone 0 99 - 0 - HG3 LYS 39 - HE3 LYS 20 lone 1 48 - 1 - HG3 LYS 39 - HE2 LYS 20 lone 1 48 - 1 - HG3 ARG 95 - HE3 LYS 20 lone 0 59 - 1 - HG3 ARG 95 - HE2 LYS 20 lone 0 59 - 1 - HD2 LYS 44 - HE3 LYS 20 lone 0 43 - 1 - HD2 LYS 44 - HE2 LYS 20 lone 0 43 - 1 - HD2 LYS 17 - HE3 LYS 73 lone 0 99 - 0 - HD2 LYS 17 - HE2 LYS 73 lone 0 96 - 0 - HG3 LYS 123 - HE3 LYS 43 lone 0 80 - 0 - HG3 LYS 123 - HE2 LYS 43 lone 0 79 - 0 - HD3 LYS 44 - HE2 LYS 20 lone 0 37 - 1 - HD3 LYS 44 - HE3 LYS 20 lone 0 37 - 1 - HG3 LYS 123 - HE2 LYS 40 lone 0 64 - 0 - HD2 LYS 44 - HE2 LYS 40 lone 0 57 - 1 - HG3 LYS 123 - HE3 LYS 73 lone 0 81 - 0 - HG3 ARG 95 - HE2 LYS 39 lone 0 93 - 0 - HG3 LYS 123 - HE2 LYS 73 lone 0 75 - 0 - HG LEU 74 - HE3 LYS 73 lone 0 61 - 0 - HG3 ARG 95 - HE3 LYS 39 lone 0 91 - 0 - HD2 LYS 17 - HE2 LYS 39 lone 0 99 - 0 - HG LEU 74 - HE2 LYS 73 lone 0 57 - 0 - HD2 LYS 17 - HE3 LYS 39 lone 0 97 - 0 - HD2 LYS 44 - HE3 LYS 40 lone 0 50 - 1 - HG3 LYS 123 - HE3 LYS 40 lone 0 56 - 0 - HG12 ILE 71 - HE2 LYS 43 lone 0 92 - 0 - HG12 ILE 71 - HE3 LYS 43 lone 0 93 - 0 - HD3 LYS 44 - HE2 LYS 40 lone 0 50 - 0 - HB ILE 56 - HE3 LYS 43 lone 0 99 - 0 - HB ILE 56 - HE2 LYS 43 lone 0 98 - 0 - HG12 ILE 71 - HE2 LYS 39 lone 0 93 - 0 - HB ILE 54 - HE3 LYS 73 lone 0 100 - 0 - HB ILE 54 - HE2 LYS 40 lone 0 86 - 0 - HG12 ILE 71 - HE3 LYS 39 lone 0 91 - 0 - HB ILE 54 - HE2 LYS 73 lone 0 97 - 0 - HD3 LYS 44 - HE3 LYS 40 lone 0 44 - 0 - HB ILE 54 - HE2 LYS 39 lone 0 99 - 0 - HB ILE 56 - HE3 LYS 73 lone 0 99 - 0 - HB ILE 54 - HE3 LYS 39 lone 0 98 - 0 - HB ILE 54 - HE3 LYS 43 lone 0 99 - 0 - HB ILE 54 - HE2 LYS 43 lone 0 99 - 0 - HB ILE 56 - HE2 LYS 73 lone 0 96 - 0 - HB ILE 56 - HE2 LYS 20 lone 0 66 - 0 - HB ILE 56 - HE3 LYS 20 lone 0 66 - 0 - HB ILE 54 - HE3 LYS 40 lone 0 77 - 0 - HB ILE 56 - HE2 LYS 39 lone 0 99 - 0 - HB ILE 56 - HE3 LYS 39 lone 0 97 - 0 - HG3 LYS 123 - HE2 LYS 20 lone 0 48 - 0 - HG3 LYS 123 - HE3 LYS 20 lone 0 48 - 0 - HB ILE 54 - HE2 LYS 20 lone 0 67 - 0 - HB ILE 54 - HE3 LYS 20 lone 0 67 - 0 - HB ILE 56 - HE2 LYS 40 lone 0 85 - 0 - HG12 ILE 71 - HE2 LYS 40 lone 0 77 - 0 - HG12 ILE 71 - HE2 LYS 20 lone 0 59 - 0 - HG12 ILE 71 - HE3 LYS 20 lone 0 59 - 0 - HB ILE 56 - HE3 LYS 40 lone 0 76 - 0 - HG12 ILE 71 - HE3 LYS 40 lone 0 69 - 0 - HG LEU 74 - HE2 LYS 39 lone 0 61 - 0 - HG LEU 74 - HE3 LYS 39 lone 0 58 - 0 - HG LEU 74 - HE2 LYS 43 lone 0 60 - 0 - HG LEU 74 - HE3 LYS 43 lone 0 61 - 0 - HG LEU 74 - HE2 LYS 40 lone 0 47 - 0 - HG LEU 74 - HE2 LYS 20 lone 0 35 - 0 - HG LEU 74 - HE3 LYS 20 lone 0 35 - 0 - HG LEU 74 - HE3 LYS 40 lone 0 41 - 0 - Peak 5210 from cnoeabs.peaks (1.68, 2.98, 41.78 ppm; 2.40 A): 16 out of 210 assignments used, quality = 1.00: HD2 LYS 73 + HE3 LYS 73 OK 70 100 - 70 - 2.9=56, 3.0/5197=4...(14) * HD3 LYS 73 + HE3 LYS 73 OK 70 100 - 70 - 2.9=56, 3.0/5197=4...(14) HD3 LYS 73 + HE2 LYS 73 OK 69 97 - 71 - 2.9=56, 3.0/5197=4...(14) HD2 LYS 73 + HE2 LYS 73 OK 69 97 - 71 - 2.9=56, 3.0/5197=4...(14) HD3 LYS 43 + HE2 LYS 43 OK 67 99 - 68 - 3.0=52, 3846/3.9=3...(11) HD3 LYS 43 + HE3 LYS 43 OK 67 100 - 67 - 3.0=52, 3846/3.9=3...(11) HD2 LYS 43 + HE2 LYS 43 OK 66 98 - 68 - 3.0=52, 3846/3.9=3...(11) HD2 LYS 43 + HE3 LYS 43 OK 66 98 - 67 - 3.0=52, 3846/3.9=3...(11) HD2 LYS 40 + HE2 LYS 40 OK 60 86 - 70 - 3.0=53, 3717/1.8=4...(18) HD3 LYS 40 + HE2 LYS 40 OK 60 86 - 70 - 3.0=53, 3717/1.8=4...(18) HD2 LYS 40 + HE3 LYS 40 OK 55 78 - 70 - 3.0=53, 3717/1.8=4...(18) HD3 LYS 40 + HE3 LYS 40 OK 54 77 - 70 - 3.0=53, 3717/1.8=4...(18) HD3 LYS 20 + HE3 LYS 20 OK 47 67 - 69 - 3.0=52, 3079/3.9=3...(13) HD3 LYS 20 + HE2 LYS 20 OK 47 67 - 69 - 3.0=52, 3079/3.9=3...(13) HD2 LYS 20 + HE3 LYS 20 OK 46 66 - 69 - 3.0=52, 3079/3.9=3...(13) HD2 LYS 20 + HE2 LYS 20 OK 46 66 - 69 - 3.0=52, 3079/3.9=3...(13) HG3 LYS 39 - HE2 LYS 39 OK 42 76 - 56 - 3.6=30, 1.8/3632=5...(16) HG3 LYS 39 - HE3 LYS 39 OK 41 74 - 56 - 3.6=30, 1.8/3642=5...(16) HD3 LYS 20 - HE2 LYS 43 OK 17 99 - 17 - 3.0/5198=1, 3.0/3884=1 HD2 LYS 20 - HE2 LYS 43 OK 17 98 - 17 - 3.0/5198=1, 3.0/3884=1 HD3 LYS 20 - HE2 LYS 73 OK 15 97 - 16 - HD2 LYS 20 - HE2 LYS 73 OK 15 96 - 16 - HD3 LYS 20 - HE3 LYS 43 OK 15 99 - 16 - HD2 LYS 20 - HE3 LYS 43 OK 15 99 - 16 - HD3 LYS 20 - HE3 LYS 73 OK 15 100 - 15 - HD2 LYS 20 - HE3 LYS 73 OK 15 99 - 15 - HD3 LYS 73 - HE2 LYS 43 OK 13 99 - 13 - 3.0/5197=1, 3.0/5171=1 HD2 LYS 73 - HE2 LYS 43 OK 13 99 - 13 - 3.0/5197=1, 3.0/5171=1 HD3 LYS 73 - HE3 LYS 43 OK 12 100 - 13 - 3.0/5171=1, 3.0/5197=1 HD2 LYS 73 - HE3 LYS 43 OK 12 100 - 12 - 3.0/5171=1, 3.0/5197=1 HD2 LYS 16 - HE2 LYS 40 OK 11 86 - 13 - 3694/3.9=1 HD2 LYS 40 - HE2 LYS 43 OK 11 99 - 11 - HD3 LYS 40 - HE2 LYS 43 OK 11 99 - 11 - HD2 LYS 40 - HE3 LYS 43 OK 11 100 - 11 - HD3 LYS 40 - HE3 LYS 43 OK 11 99 - 11 - HD3 LYS 16 - HE2 LYS 40 OK 11 84 - 13 - 3694/3.9=1 HD3 LYS 43 - HE2 LYS 73 OK 11 97 - 11 - HD2 LYS 43 - HE2 LYS 73 OK 10 95 - 11 - HD3 LYS 43 - HE3 LYS 73 OK 10 100 - 10 - HD2 LYS 43 - HE3 LYS 73 OK 10 99 - 10 - HD2 LYS 16 - HE3 LYS 40 poor 10 78 - 13 - 3694/3.9=1 HD3 LYS 16 - HE3 LYS 40 poor 9 75 - 12 - 3694/3.9=1 HD3 LYS 20 - HE2 LYS 40 lone 8 86 - 9 - HD2 LYS 20 - HE2 LYS 40 lone 8 85 - 9 - HD3 LYS 20 - HE3 LYS 40 lone 7 77 - 9 - HD2 LYS 20 - HE3 LYS 40 lone 7 76 - 9 - HD2 LYS 40 - HE2 LYS 20 poor 7 68 - 10 - HD2 LYS 40 - HE3 LYS 20 poor 7 68 - 10 - HD3 LYS 43 - HE2 LYS 40 lone 7 87 - 8 - HD3 LYS 40 - HE3 LYS 20 poor 7 67 - 10 - HD3 LYS 40 - HE2 LYS 20 poor 7 67 - 10 - HD3 LYS 73 - HE2 LYS 20 poor 7 68 - 10 - HD3 LYS 73 - HE3 LYS 20 poor 7 68 - 10 - HD2 LYS 73 - HE3 LYS 20 poor 7 68 - 10 - HD2 LYS 73 - HE2 LYS 20 poor 7 68 - 10 - HD2 LYS 40 - HE2 LYS 73 lone 7 97 - 7 - HD3 LYS 40 - HE2 LYS 73 lone 7 97 - 7 - HD2 LYS 43 - HE2 LYS 40 lone 7 84 - 8 - HD3 LYS 43 - HE2 LYS 20 lone 7 68 - 10 - HD3 LYS 43 - HE3 LYS 20 lone 7 68 - 10 - HD2 LYS 40 - HE3 LYS 73 lone 7 100 - 6 - HD3 LYS 40 - HE3 LYS 73 lone 7 100 - 6 - HD2 LYS 43 - HE2 LYS 20 lone 6 65 - 10 - HD2 LYS 43 - HE3 LYS 20 lone 6 65 - 10 - HD3 LYS 43 - HE3 LYS 40 lone 6 78 - 8 - HD2 LYS 96 - HE3 LYS 73 lone 6 100 - 6 - HD3 LYS 96 - HE3 LYS 73 lone 6 100 - 6 - HD2 LYS 43 - HE3 LYS 40 lone 6 75 - 8 - HD3 LYS 96 - HE2 LYS 73 lone 6 97 - 6 - HD2 LYS 96 - HE2 LYS 73 lone 6 97 - 6 - HD3 LYS 96 - HE2 LYS 43 lone 5 99 - 5 - HD2 LYS 96 - HE2 LYS 43 lone 5 99 - 5 - HD2 LYS 96 - HE3 LYS 43 lone 5 99 - 5 - HD3 LYS 96 - HE3 LYS 43 lone 5 100 - 5 - HD2 LYS 40 - HE3 LYS 39 lone 5 98 - 5 - HD3 LYS 40 - HE3 LYS 39 lone 5 98 - 5 - HD2 LYS 40 - HE2 LYS 39 lone 5 100 - 5 - HD3 LYS 40 - HE2 LYS 39 lone 5 99 - 5 - HD3 LYS 96 - HE2 LYS 20 lone 4 68 - 6 - HD3 LYS 96 - HE3 LYS 20 lone 4 68 - 6 - HD2 LYS 96 - HE3 LYS 20 lone 4 67 - 6 - HD2 LYS 96 - HE2 LYS 20 lone 4 67 - 6 - HD3 LYS 73 - HE2 LYS 40 lone 4 87 - 4 - HD2 LYS 73 - HE2 LYS 40 lone 4 87 - 4 - HD3 LYS 73 - HE3 LYS 40 lone 3 78 - 4 - HD2 LYS 73 - HE3 LYS 40 lone 3 78 - 4 - HD3 LYS 96 - HE2 LYS 40 lone 3 87 - 4 - HD2 LYS 96 - HE2 LYS 40 lone 3 86 - 4 - HG3 LYS 39 - HE2 LYS 40 lone 3 61 - 5 - HG3 LYS 39 - HE2 LYS 43 lone 3 75 - 4 - HG3 LYS 39 - HE3 LYS 43 lone 3 76 - 4 - HD3 LYS 96 - HE3 LYS 40 lone 3 78 - 4 - HD2 LYS 96 - HE3 LYS 40 lone 3 77 - 4 - HD2 LYS 73 - HE2 LYS 39 lone 3 100 - 3 - HD3 LYS 73 - HE2 LYS 39 lone 3 100 - 3 - HD2 LYS 73 - HE3 LYS 39 lone 3 99 - 3 - HD3 LYS 73 - HE3 LYS 39 lone 3 99 - 3 - HD2 LYS 44 - HE2 LYS 39 lone 3 69 - 4 - HD3 LYS 96 - HE2 LYS 39 lone 3 100 - 3 - HD2 LYS 96 - HE2 LYS 39 lone 3 99 - 3 - HD2 LYS 44 - HE3 LYS 39 lone 3 66 - 4 - HD3 LYS 96 - HE3 LYS 39 lone 2 99 - 3 - HD2 LYS 96 - HE3 LYS 39 lone 2 98 - 3 - HD3 LYS 44 - HE2 LYS 39 lone 2 61 - 4 - HD2 LYS 44 - HE3 LYS 43 lone 2 69 - 3 - HD2 LYS 44 - HE3 LYS 73 lone 2 70 - 3 - HD2 LYS 44 - HE2 LYS 43 lone 2 68 - 3 - HG3 LYS 39 - HE3 LYS 40 lone 2 53 - 4 - HD3 LYS 44 - HE3 LYS 39 lone 2 58 - 4 - HD3 LYS 43 - HE2 LYS 39 lone 2 100 - 2 - HD3 LYS 43 - HE3 LYS 39 lone 2 99 - 2 - HD2 LYS 43 - HE2 LYS 39 lone 2 98 - 2 - HD2 LYS 43 - HE3 LYS 39 lone 2 97 - 2 - HD2 LYS 44 - HE2 LYS 73 lone 2 64 - 3 - HD3 LYS 20 - HE3 LYS 39 lone 2 98 - 2 - HD2 LYS 20 - HE3 LYS 39 lone 2 97 - 2 - HD3 LYS 20 - HE2 LYS 39 lone 2 99 - 2 - HD2 LYS 20 - HE2 LYS 39 lone 2 99 - 2 - HD3 LYS 44 - HE3 LYS 43 lone 2 61 - 3 - HD3 LYS 44 - HE3 LYS 73 lone 2 61 - 3 - HD3 LYS 44 - HE2 LYS 43 lone 2 60 - 3 - HD3 LYS 44 - HE2 LYS 73 lone 2 57 - 3 - HG3 LYS 39 - HE3 LYS 73 lone 2 77 - 2 - HG3 LYS 39 - HE2 LYS 73 lone 2 72 - 2 - HD2 LYS 16 - HE3 LYS 20 lone 1 68 - 2 - HD2 LYS 16 - HE2 LYS 20 lone 1 68 - 2 - HD3 LYS 16 - HE3 LYS 20 lone 1 65 - 2 - HD3 LYS 16 - HE2 LYS 20 lone 1 65 - 2 - HD2 LYS 16 - HE2 LYS 73 lone 1 97 - 1 - HD2 LYS 16 - HE3 LYS 73 lone 1 100 - 1 - HG3 LYS 123 - HE2 LYS 39 lone 1 76 - 2 - HD3 LYS 16 - HE2 LYS 73 lone 1 95 - 1 - HD3 LYS 16 - HE3 LYS 73 lone 1 99 - 1 - HG3 LYS 123 - HE3 LYS 39 lone 1 74 - 2 - HD2 LYS 16 - HE2 LYS 43 lone 1 99 - 1 - HD2 LYS 16 - HE3 LYS 43 lone 1 100 - 1 - HD3 LYS 16 - HE2 LYS 43 lone 1 98 - 1 - HD3 LYS 16 - HE3 LYS 43 lone 1 98 - 1 - HD2 LYS 17 - HE2 LYS 40 lone 1 86 - 1 - HD2 LYS 17 - HE3 LYS 40 lone 1 77 - 1 - HG3 ARG 95 - HE3 LYS 73 lone 1 96 - 1 - HG3 ARG 95 - HE2 LYS 40 lone 1 79 - 1 - HG3 ARG 95 - HE2 LYS 73 lone 1 91 - 1 - HG3 ARG 95 - HE2 LYS 43 lone 1 94 - 1 - HG3 ARG 95 - HE3 LYS 43 lone 1 95 - 1 - HG3 ARG 95 - HE3 LYS 40 lone 1 71 - 1 - HG12 ILE 71 - HE3 LYS 73 lone 1 92 - 1 - HD2 LYS 16 - HE2 LYS 39 lone 1 100 - 1 - HD2 LYS 16 - HE3 LYS 39 lone 1 98 - 1 - HG12 ILE 71 - HE2 LYS 73 lone 1 87 - 1 - HD3 LYS 16 - HE2 LYS 39 lone 1 98 - 1 - HD3 LYS 16 - HE3 LYS 39 lone 1 97 - 1 - HD2 LYS 17 - HE3 LYS 20 lone 1 67 - 1 - HD2 LYS 17 - HE2 LYS 20 lone 1 67 - 1 - HD2 LYS 17 - HE2 LYS 43 lone 1 99 - 1 - HD2 LYS 17 - HE3 LYS 43 lone 0 99 - 0 - HG3 ARG 95 - HE2 LYS 20 lone 0 61 - 1 - HG3 ARG 95 - HE3 LYS 20 lone 0 61 - 1 - HG3 LYS 39 - HE2 LYS 20 lone 0 45 - 1 - HG3 LYS 39 - HE3 LYS 20 lone 0 45 - 1 - HD2 LYS 44 - HE2 LYS 20 lone 0 40 - 1 - HD2 LYS 44 - HE3 LYS 20 lone 0 40 - 1 - HD2 LYS 17 - HE3 LYS 73 lone 0 100 - 0 - HD2 LYS 17 - HE2 LYS 73 lone 0 97 - 0 - HG3 LYS 123 - HE3 LYS 43 lone 0 76 - 0 - HG3 LYS 123 - HE2 LYS 43 lone 0 75 - 0 - HD3 LYS 44 - HE2 LYS 20 lone 0 35 - 1 - HD3 LYS 44 - HE3 LYS 20 lone 0 35 - 1 - HG3 LYS 123 - HE2 LYS 40 lone 0 61 - 0 - HG3 ARG 95 - HE2 LYS 39 lone 0 95 - 0 - HG3 ARG 95 - HE3 LYS 39 lone 0 93 - 0 - HD2 LYS 44 - HE2 LYS 40 lone 0 54 - 1 - HD2 LYS 17 - HE2 LYS 39 lone 0 99 - 0 - HG3 LYS 123 - HE3 LYS 73 lone 0 77 - 0 - HD2 LYS 17 - HE3 LYS 39 lone 0 98 - 0 - HG3 LYS 123 - HE2 LYS 73 lone 0 72 - 0 - HD2 LYS 44 - HE3 LYS 40 lone 0 47 - 1 - HG3 LYS 123 - HE3 LYS 40 lone 0 53 - 0 - HG12 ILE 71 - HE2 LYS 43 lone 0 90 - 0 - HB ILE 56 - HE3 LYS 43 lone 0 98 - 0 - HG12 ILE 71 - HE3 LYS 43 lone 0 91 - 0 - HB ILE 56 - HE2 LYS 43 lone 0 98 - 0 - HB ILE 54 - HE3 LYS 73 lone 0 100 - 0 - HB ILE 54 - HE2 LYS 40 lone 0 86 - 0 - HD3 LYS 44 - HE2 LYS 40 lone 0 47 - 0 - HG12 ILE 71 - HE2 LYS 39 lone 0 91 - 0 - HB ILE 54 - HE2 LYS 73 lone 0 97 - 0 - HG12 ILE 71 - HE3 LYS 39 lone 0 89 - 0 - HB ILE 54 - HE2 LYS 39 lone 0 100 - 0 - HB ILE 56 - HE3 LYS 73 lone 0 99 - 0 - HB ILE 54 - HE3 LYS 39 lone 0 98 - 0 - HB ILE 54 - HE3 LYS 43 lone 0 100 - 0 - HB ILE 54 - HE2 LYS 43 lone 0 99 - 0 - HB ILE 56 - HE2 LYS 73 lone 0 95 - 0 - HB ILE 54 - HE3 LYS 40 lone 0 78 - 0 - HB ILE 56 - HE3 LYS 20 lone 0 65 - 0 - HB ILE 56 - HE2 LYS 20 lone 0 65 - 0 - HD3 LYS 44 - HE3 LYS 40 lone 0 41 - 0 - HB ILE 56 - HE2 LYS 39 lone 0 98 - 0 - HB ILE 56 - HE3 LYS 39 lone 0 97 - 0 - HB ILE 54 - HE2 LYS 20 lone 0 68 - 0 - HB ILE 54 - HE3 LYS 20 lone 0 68 - 0 - HB ILE 56 - HE2 LYS 40 lone 0 84 - 0 - HG3 LYS 123 - HE2 LYS 20 lone 0 45 - 0 - HG3 LYS 123 - HE3 LYS 20 lone 0 45 - 0 - HG12 ILE 71 - HE2 LYS 40 lone 0 75 - 0 - HG12 ILE 71 - HE3 LYS 20 lone 0 57 - 0 - HG12 ILE 71 - HE2 LYS 20 lone 0 57 - 0 - HB ILE 56 - HE3 LYS 40 lone 0 75 - 0 - HG12 ILE 71 - HE3 LYS 40 lone 0 66 - 0 - Peak 5211 from cnoeabs.peaks (2.98, 2.98, 41.78 ppm; diagonal): 8 out of 10 assignments used, quality = 1.00: HE2 LYS 39 + HE2 LYS 39 OK 99 99 - 100 HE2 LYS 43 + HE2 LYS 43 OK 99 99 - 100 HE3 LYS 73 + HE3 LYS 73 OK 99 99 - 100 HE3 LYS 39 + HE3 LYS 39 OK 99 99 - 100 HE2 LYS 73 + HE2 LYS 73 OK 97 97 - 100 HE3 LYS 43 + HE3 LYS 43 OK 96 96 - 100 HE2 LYS 40 + HE2 LYS 40 OK 64 64 - 100 HE3 LYS 40 + HE3 LYS 40 OK 50 50 - 100 HE2 LYS 20 - HE2 LYS 20 OK 37 37 - 100 HE3 LYS 20 - HE3 LYS 20 OK 37 37 - 100 Reference assignment not found: HE2 LYS 73 - HE3 LYS 73 Peak 5212 from cnoeabs.peaks (2.98, 2.98, 41.78 ppm; diagonal): 10 out of 10 assignments used, quality = 1.00: * HE3 LYS 73 + HE3 LYS 73 OK 100 100 - 100 HE3 LYS 43 + HE3 LYS 43 OK 100 100 - 100 HE2 LYS 39 + HE2 LYS 39 OK 100 100 - 100 HE2 LYS 43 + HE2 LYS 43 OK 99 99 - 100 HE3 LYS 39 + HE3 LYS 39 OK 97 97 - 100 HE2 LYS 73 + HE2 LYS 73 OK 95 95 - 100 HE2 LYS 40 + HE2 LYS 40 OK 77 77 - 100 HE3 LYS 40 + HE3 LYS 40 OK 64 64 - 100 HE2 LYS 20 + HE2 LYS 20 OK 50 50 - 100 HE3 LYS 20 + HE3 LYS 20 OK 50 50 - 100 Peak 5213 from cnoeabs.peaks (7.61, 4.23, 55.20 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 74 + HA LEU 74 OK 100 100 - 100 - 2.9=100 Peak 5214 from cnoeabs.peaks (4.23, 4.23, 55.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 74 + HA LEU 74 OK 100 100 - 100 Peak 5215 from cnoeabs.peaks (1.47, 4.23, 55.20 ppm; 4.44 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 74 + HA LEU 74 OK 100 100 - 100 - 3.0=100 Peak 5216 from cnoeabs.peaks (1.20, 4.23, 55.20 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 74 + HA LEU 74 OK 100 100 - 100 - 3.0=100 Peak 5217 from cnoeabs.peaks (1.70, 4.23, 55.20 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 74 + HA LEU 74 OK 100 100 - 100 - 3.7=100 Peak 5218 from cnoeabs.peaks (0.82, 4.23, 55.20 ppm; 3.09 A): 3 out of 7 assignments used, quality = 0.95: * QD1 LEU 74 + HA LEU 74 OK 77 100 - 77 - 4.0=45, 2.1/5249=33...(12) QD2 LEU 74 + HA LEU 74 OK 69 100 - 69 - 5249=50, 5248/2.9=12...(11) QG2 ILE 71 + HA LEU 74 OK 29 100 - 29 - 9789/3.0=8, ~9772=5...(7) QD1 LEU 114 - HA LEU 74 lone 3 87 - 3 - QD1 LEU 64 - HA LEU 74 lone 2 100 - 2 - QD2 LEU 82 - HA LEU 74 lone 1 96 - 1 - QG1 VAL 29 - HA LEU 74 lone 0 70 - 0 - Peak 5219 from cnoeabs.peaks (0.82, 4.23, 55.20 ppm; 3.09 A): 3 out of 7 assignments used, quality = 0.95: QD1 LEU 74 + HA LEU 74 OK 77 100 - 77 - 4.0=45, 2.1/5249=33...(12) * QD2 LEU 74 + HA LEU 74 OK 69 100 - 69 - 5249=50, 5248/2.9=12...(11) QG2 ILE 71 + HA LEU 74 OK 29 100 - 29 - 9789/3.0=8, ~9772=5...(7) QD1 LEU 114 - HA LEU 74 lone 3 81 - 3 - QD1 LEU 64 - HA LEU 74 lone 2 99 - 2 - QD2 LEU 82 - HA LEU 74 lone 1 98 - 1 - QG1 VAL 29 - HA LEU 74 lone 0 61 - 0 - Peak 5220 from cnoeabs.peaks (7.61, 1.47, 41.49 ppm; 4.97 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 74 + HB2 LEU 74 OK 100 100 - 100 - 3.8=100 Peak 5221 from cnoeabs.peaks (4.23, 1.47, 41.49 ppm; 5.70 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 74 + HB2 LEU 74 OK 100 100 - 100 - 3.0=100 Peak 5222 from cnoeabs.peaks (1.47, 1.47, 41.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 74 + HB2 LEU 74 OK 100 100 - 100 Peak 5223 from cnoeabs.peaks (1.20, 1.47, 41.49 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 74 + HB2 LEU 74 OK 100 100 - 100 - 1.8=100 Peak 5224 from cnoeabs.peaks (1.70, 1.47, 41.49 ppm; 4.33 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 74 + HB2 LEU 74 OK 100 100 - 100 - 3.0=100 Peak 5225 from cnoeabs.peaks (0.82, 1.47, 41.49 ppm; 3.89 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 74 + HB2 LEU 74 OK 100 100 - 100 - 3.1=100 QD2 LEU 74 + HB2 LEU 74 OK 100 100 - 100 - 3.1=100 Peak 5226 from cnoeabs.peaks (0.82, 1.47, 41.49 ppm; 3.89 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 74 + HB2 LEU 74 OK 100 100 - 100 - 3.1=100 QD1 LEU 74 + HB2 LEU 74 OK 100 100 - 100 - 3.1=100 Peak 5227 from cnoeabs.peaks (7.61, 1.20, 41.49 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 74 + HB3 LEU 74 OK 100 100 - 100 - 3.8=100 Peak 5228 from cnoeabs.peaks (4.23, 1.20, 41.49 ppm; 5.44 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 74 + HB3 LEU 74 OK 100 100 - 100 - 3.0=100 Peak 5229 from cnoeabs.peaks (1.47, 1.20, 41.49 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 74 + HB3 LEU 74 OK 100 100 - 100 - 1.8=100 Peak 5230 from cnoeabs.peaks (1.20, 1.20, 41.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 74 + HB3 LEU 74 OK 100 100 - 100 Peak 5231 from cnoeabs.peaks (1.70, 1.20, 41.49 ppm; 6.11 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 74 + HB3 LEU 74 OK 100 100 - 100 - 3.0=100 Peak 5232 from cnoeabs.peaks (0.82, 1.20, 41.49 ppm; 4.24 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 74 + HB3 LEU 74 OK 100 100 - 100 - 3.1=100 QD2 LEU 74 + HB3 LEU 74 OK 100 100 - 100 - 3.1=100 Peak 5233 from cnoeabs.peaks (0.82, 1.20, 41.49 ppm; 4.24 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 74 + HB3 LEU 74 OK 100 100 - 100 - 3.1=100 QD1 LEU 74 + HB3 LEU 74 OK 100 100 - 100 - 3.1=100 Peak 5234 from cnoeabs.peaks (7.61, 1.70, 26.27 ppm; 4.16 A): 2 out of 9 assignments used, quality = 0.92: * H LEU 74 + HG LEU 74 OK 90 100 - 90 - 4.9=62, 5248/2.1=26...(10) H LYS 16 + HG LEU 74 OK 21 99 - 21 - 5241/2.1=7, 5248/2.1=6...(4) H LYS 115 - HG LEU 74 lone 5 96 - 5 - 5241/2.1=2, 5248/2.1=2 H LEU 64 - HG LEU 74 lone 3 70 - 4 - 5241/2.1=1, 5248/2.1=1 H ASP 34 - HG LEU 74 lone 2 97 - 2 - H GLU 69 - HG LEU 74 lone 2 65 - 3 - HE ARG 105 - HG LEU 74 lone 2 92 - 2 - H GLN 100 - HG LEU 74 lone 1 81 - 2 - HE21 GLN 85 - HG LEU 74 lone 1 77 - 1 - Peak 5235 from cnoeabs.peaks (4.23, 1.70, 26.27 ppm; 4.94 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 74 + HG LEU 74 OK 100 100 - 100 - 3.7=100 Peak 5236 from cnoeabs.peaks (1.47, 1.70, 26.27 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 74 + HG LEU 74 OK 100 100 - 100 - 3.0=100 Peak 5237 from cnoeabs.peaks (1.20, 1.70, 26.27 ppm; 5.33 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 74 + HG LEU 74 OK 100 100 - 100 - 3.0=100 Peak 5238 from cnoeabs.peaks (1.70, 1.70, 26.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 74 + HG LEU 74 OK 100 100 - 100 Peak 5239 from cnoeabs.peaks (0.82, 1.70, 26.27 ppm; 3.21 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 74 + HG LEU 74 OK 100 100 - 100 - 2.1=100 QD2 LEU 74 + HG LEU 74 OK 100 100 - 100 - 2.1=100 Peak 5240 from cnoeabs.peaks (0.82, 1.70, 26.27 ppm; 3.21 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 74 + HG LEU 74 OK 100 100 - 100 - 2.1=100 QD1 LEU 74 + HG LEU 74 OK 100 100 - 100 - 2.1=100 Peak 5241 from cnoeabs.peaks (7.61, 0.82, 25.82 ppm; 4.29 A): 1 out of 9 assignments used, quality = 0.95: * H LEU 74 + QD1 LEU 74 OK 95 100 - 95 - 4.8=70, 5248/2.1=27...(12) H LYS 16 - QD1 LEU 74 OK 31 99 - 32 - 5248/2.1=7, 5234/2.1=6...(8) H LYS 115 - QD1 LEU 74 lone 8 96 - 8 - 5248/2.1=2, 5234/2.1=1...(4) H LEU 64 - QD1 LEU 74 lone 6 70 - 8 - 5248/2.1=1, 1420=1 HE ARG 105 - QD1 LEU 74 lone 2 92 - 3 - H ASP 34 - QD1 LEU 74 lone 2 97 - 2 - H GLU 69 - QD1 LEU 74 lone 2 65 - 4 - H GLN 100 - QD1 LEU 74 lone 2 81 - 2 - HE21 GLN 85 - QD1 LEU 74 lone 1 77 - 1 - Peak 5242 from cnoeabs.peaks (4.23, 0.82, 25.82 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 74 + QD1 LEU 74 OK 100 100 - 100 - 4.0=100 Peak 5243 from cnoeabs.peaks (1.47, 0.82, 25.82 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 74 + QD1 LEU 74 OK 100 100 - 100 - 3.1=100 Peak 5244 from cnoeabs.peaks (1.20, 0.82, 25.82 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 74 + QD1 LEU 74 OK 100 100 - 100 - 3.1=100 Peak 5245 from cnoeabs.peaks (1.70, 0.82, 25.82 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 74 + QD1 LEU 74 OK 100 100 - 100 - 2.1=100 Peak 5246 from cnoeabs.peaks (0.82, 0.82, 25.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 74 + QD1 LEU 74 OK 100 100 - 100 Peak 5247 from cnoeabs.peaks (0.82, 0.82, 25.82 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 74 + QD1 LEU 74 OK 100 100 - 100 Reference assignment not found: QD2 LEU 74 - QD1 LEU 74 Peak 5248 from cnoeabs.peaks (7.61, 0.82, 21.88 ppm; 4.00 A): 2 out of 9 assignments used, quality = 0.93: * H LEU 74 + QD2 LEU 74 OK 91 100 - 91 - 4.8=56, 2.9/5249=40...(11) H LYS 16 + QD2 LEU 74 OK 23 99 - 24 - 5241/2.1=7, 5234/2.1=6...(6) H LYS 115 - QD2 LEU 74 lone 6 96 - 7 - 5241/2.1=2, 5234/2.1=1 H LEU 64 - QD2 LEU 74 lone 4 70 - 6 - 5241/2.1=1 H ASP 34 - QD2 LEU 74 lone 2 97 - 2 - H GLU 69 - QD2 LEU 74 lone 2 65 - 3 - HE ARG 105 - QD2 LEU 74 lone 2 92 - 2 - H GLN 100 - QD2 LEU 74 lone 1 81 - 2 - HE21 GLN 85 - QD2 LEU 74 lone 1 77 - 1 - Peak 5249 from cnoeabs.peaks (4.23, 0.82, 21.88 ppm; 2.92 A): 1 out of 2 assignments used, quality = 0.64: * HA LEU 74 + QD2 LEU 74 OK 64 100 - 64 - 4.0=38, 5219/2.1=12...(11) HB THR 108 - QD2 LEU 74 lone 0 94 - 0 - Peak 5250 from cnoeabs.peaks (1.47, 0.82, 21.88 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 74 + QD2 LEU 74 OK 100 100 - 100 - 3.1=100 Peak 5251 from cnoeabs.peaks (1.20, 0.82, 21.88 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 74 + QD2 LEU 74 OK 100 100 - 100 - 3.1=100 Peak 5252 from cnoeabs.peaks (1.70, 0.82, 21.88 ppm; 3.16 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 74 + QD2 LEU 74 OK 100 100 - 100 - 2.1=100 Peak 5253 from cnoeabs.peaks (0.82, 0.82, 21.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 74 + QD2 LEU 74 OK 100 100 - 100 Reference assignment not found: QD1 LEU 74 - QD2 LEU 74 Peak 5254 from cnoeabs.peaks (0.82, 0.82, 21.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 74 + QD2 LEU 74 OK 100 100 - 100 Peak 5255 from cnoeabs.peaks (7.92, 3.84, 45.84 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 75 + HA2 GLY 75 OK 100 100 - 100 - 3.0=100 Peak 5256 from cnoeabs.peaks (3.84, 3.84, 45.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 75 + HA2 GLY 75 OK 100 100 - 100 Peak 5257 from cnoeabs.peaks (4.01, 3.84, 45.84 ppm; 3.01 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 75 + HA2 GLY 75 OK 100 100 - 100 - 1.8=100 Peak 5258 from cnoeabs.peaks (7.92, 4.01, 45.84 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 75 + HA3 GLY 75 OK 100 100 - 100 - 3.0=100 Peak 5259 from cnoeabs.peaks (3.84, 4.01, 45.84 ppm; 3.02 A): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 75 + HA3 GLY 75 OK 100 100 - 100 - 1.8=100 Peak 5260 from cnoeabs.peaks (4.01, 4.01, 45.84 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 75 + HA3 GLY 75 OK 100 100 - 100 Peak 5261 from cnoeabs.peaks (7.37, 4.78, 55.50 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 76 + HA TYR 76 OK 100 100 - 100 - 3.0=100 Peak 5262 from cnoeabs.peaks (4.78, 4.78, 55.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TYR 76 + HA TYR 76 OK 100 100 - 100 Peak 5263 from cnoeabs.peaks (2.66, 4.78, 55.50 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 76 + HA TYR 76 OK 100 100 - 100 - 3.0=100 Peak 5264 from cnoeabs.peaks (2.85, 4.78, 55.50 ppm; 5.63 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 76 + HA TYR 76 OK 100 100 - 100 - 3.0=100 Peak 5269 from cnoeabs.peaks (7.37, 2.66, 37.96 ppm; 4.73 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 76 + HB2 TYR 76 OK 100 100 - 100 - 4.0=100 Peak 5270 from cnoeabs.peaks (4.78, 2.66, 37.96 ppm; 5.21 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 76 + HB2 TYR 76 OK 100 100 - 100 - 3.0=100 Peak 5271 from cnoeabs.peaks (2.66, 2.66, 37.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 76 + HB2 TYR 76 OK 100 100 - 100 Peak 5272 from cnoeabs.peaks (2.85, 2.66, 37.96 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 76 + HB2 TYR 76 OK 100 100 - 100 - 1.8=100 Peak 5276 from cnoeabs.peaks (6.86, 2.66, 37.96 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 76 + HB2 TYR 76 OK 100 100 - 100 - 2.5=100 Peak 5277 from cnoeabs.peaks (7.37, 2.85, 37.96 ppm; 5.94 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 76 + HB3 TYR 76 OK 100 100 - 100 - 4.0=100 Peak 5278 from cnoeabs.peaks (4.78, 2.85, 37.96 ppm; 4.68 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 76 + HB3 TYR 76 OK 100 100 - 100 - 3.0=100 Peak 5279 from cnoeabs.peaks (2.66, 2.85, 37.96 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 76 + HB3 TYR 76 OK 100 100 - 100 - 1.8=100 Peak 5280 from cnoeabs.peaks (2.85, 2.85, 37.96 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 TYR 76 + HB3 TYR 76 OK 100 100 - 100 HB2 ASN 88 + HB2 ASN 88 OK 81 81 - 100 Peak 5284 from cnoeabs.peaks (6.86, 2.85, 37.96 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 76 + HB3 TYR 76 OK 100 100 - 100 - 2.5=100 Peak 5299 from cnoeabs.peaks (6.71, 6.71, 117.91 ppm; diagonal): 2 out of 2 assignments used, quality = 0.96: * QE TYR 76 + QE TYR 76 OK 90 90 - 100 QE TYR 102 + QE TYR 102 OK 59 59 - 100 Peak 5300 from cnoeabs.peaks (6.86, 6.71, 117.91 ppm; 3.31 A): 1 out of 1 assignment used, quality = 0.90: * QD TYR 76 + QE TYR 76 OK 90 90 - 100 - 2.2=100 Peak 5301 from cnoeabs.peaks (7.37, 6.86, 132.15 ppm; 5.89 A): 1 out of 1 assignment used, quality = 0.97: * H TYR 76 + QD TYR 76 OK 97 97 - 100 - 4.4=100 Peak 5302 from cnoeabs.peaks (4.78, 6.86, 132.15 ppm; 5.01 A): 1 out of 1 assignment used, quality = 0.97: * HA TYR 76 + QD TYR 76 OK 97 97 - 100 - 3.7=100 Peak 5303 from cnoeabs.peaks (2.66, 6.86, 132.15 ppm; 5.34 A): 1 out of 1 assignment used, quality = 0.97: * HB2 TYR 76 + QD TYR 76 OK 97 97 - 100 - 2.5=100 Peak 5304 from cnoeabs.peaks (2.85, 6.86, 132.15 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.97: * HB3 TYR 76 + QD TYR 76 OK 97 97 - 100 - 2.5=100 Peak 5307 from cnoeabs.peaks (6.71, 6.86, 132.15 ppm; 3.89 A): 1 out of 1 assignment used, quality = 0.97: * QE TYR 76 + QD TYR 76 OK 97 97 - 100 - 2.2=100 Peak 5308 from cnoeabs.peaks (6.86, 6.86, 132.15 ppm; diagonal): 1 out of 1 assignment used, quality = 0.97: * QD TYR 76 + QD TYR 76 OK 97 97 - 100 Peak 5309 from cnoeabs.peaks (8.29, 4.55, 55.07 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 77 + HA LYS 77 OK 100 100 - 100 - 3.0=100 Peak 5310 from cnoeabs.peaks (4.55, 4.55, 55.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 77 + HA LYS 77 OK 100 100 - 100 Peak 5311 from cnoeabs.peaks (1.84, 4.55, 55.07 ppm; 3.65 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 77 + HA LYS 77 OK 100 100 - 100 - 3.0=100 HB3 LYS 77 + HA LYS 77 OK 100 100 - 100 - 3.0=100 Peak 5312 from cnoeabs.peaks (1.84, 4.55, 55.07 ppm; 3.65 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 77 + HA LYS 77 OK 100 100 - 100 - 3.0=100 HB2 LYS 77 + HA LYS 77 OK 100 100 - 100 - 3.0=100 Peak 5313 from cnoeabs.peaks (1.35, 4.55, 55.07 ppm; 4.43 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 77 + HA LYS 77 OK 100 100 - 100 - 4.0=100 Peak 5314 from cnoeabs.peaks (1.17, 4.55, 55.07 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 77 + HA LYS 77 OK 100 100 - 100 - 4.0=100 Peak 5315 from cnoeabs.peaks (1.62, 4.55, 55.07 ppm; 3.80 A): 2 out of 11 assignments used, quality = 0.87: * HD2 LYS 77 + HA LYS 77 OK 63 100 - 63 - 5.4=34, 1.8/5370=16...(9) HD3 LYS 77 + HA LYS 77 OK 63 100 - 63 - 5.4=34, 1.8/5360=16...(9) HB3 LEU 127 - HA LYS 77 lone 4 90 - 4 - 5326/3.0=2, 5326/3.0=2 HG LEU 63 - HA LYS 77 lone 3 99 - 3 - 487/3.6=2 HB3 LEU 64 - HA LYS 77 lone 1 99 - 1 - HB ILE 116 - HA LYS 77 lone 1 98 - 1 - HG3 LYS 40 - HA LYS 77 lone 1 99 - 1 - HG2 LYS 16 - HA LYS 77 lone 1 100 - 1 - HB2 LEU 82 - HA LYS 77 lone 1 100 - 1 - HG LEU 90 - HA LYS 77 lone 1 77 - 1 - HG LEU 64 - HA LYS 77 lone 1 65 - 1 - Peak 5316 from cnoeabs.peaks (1.62, 4.55, 55.07 ppm; 3.80 A): 2 out of 11 assignments used, quality = 0.87: * HD3 LYS 77 + HA LYS 77 OK 63 100 - 63 - 5.4=34, 1.8/5360=16...(9) HD2 LYS 77 + HA LYS 77 OK 63 100 - 63 - 5.4=34, 1.8/5370=16...(9) HB3 LEU 127 - HA LYS 77 lone 4 92 - 4 - 5326/3.0=2, 5326/3.0=2 HG LEU 63 - HA LYS 77 lone 3 100 - 3 - 487/3.6=2 HB3 LEU 64 - HA LYS 77 lone 1 98 - 1 - HB ILE 116 - HA LYS 77 lone 1 97 - 1 - HG3 LYS 40 - HA LYS 77 lone 1 100 - 1 - HG2 LYS 16 - HA LYS 77 lone 1 99 - 1 - HB2 LEU 82 - HA LYS 77 lone 1 100 - 1 - HG LEU 90 - HA LYS 77 lone 1 73 - 1 - HG LEU 64 - HA LYS 77 lone 1 61 - 1 - Peak 5319 from cnoeabs.peaks (8.29, 1.84, 32.22 ppm; 4.09 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 77 + HB2 LYS 77 OK 100 100 - 100 - 4.0=100 H LYS 77 + HB3 LYS 77 OK 100 100 - 100 - 4.0=100 Peak 5320 from cnoeabs.peaks (4.55, 1.84, 32.22 ppm; 3.50 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 77 + HB2 LYS 77 OK 100 100 - 100 - 3.0=100 HA LYS 77 + HB3 LYS 77 OK 100 100 - 100 - 3.0=100 Peak 5321 from cnoeabs.peaks (1.84, 1.84, 32.22 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 LYS 77 + HB2 LYS 77 OK 100 100 - 100 HB3 LYS 77 + HB3 LYS 77 OK 100 100 - 100 HB3 LYS 19 + HB3 LYS 19 OK 71 71 - 100 Peak 5322 from cnoeabs.peaks (1.84, 1.84, 32.22 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB2 LYS 77 + HB2 LYS 77 OK 100 100 - 100 HB3 LYS 77 + HB3 LYS 77 OK 100 100 - 100 HB3 LYS 19 + HB3 LYS 19 OK 75 75 - 100 Reference assignment not found: HB3 LYS 77 - HB2 LYS 77 Peak 5323 from cnoeabs.peaks (1.35, 1.84, 32.22 ppm; 3.70 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 77 + HB2 LYS 77 OK 100 100 - 100 - 3.0=100 HG2 LYS 77 + HB3 LYS 77 OK 100 100 - 100 - 3.0=100 Peak 5324 from cnoeabs.peaks (1.17, 1.84, 32.22 ppm; 3.96 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 77 + HB2 LYS 77 OK 100 100 - 100 - 3.0=100 HG3 LYS 77 + HB3 LYS 77 OK 100 100 - 100 - 3.0=100 Peak 5325 from cnoeabs.peaks (1.62, 1.84, 32.22 ppm; 3.16 A): 4 out of 33 assignments used, quality = 1.00: * HD2 LYS 77 + HB2 LYS 77 OK 79 100 - 79 - 3.6=68, 5315/3.0=9...(8) HD3 LYS 77 + HB2 LYS 77 OK 79 100 - 79 - 3.6=68, 5315/3.0=9...(8) HD2 LYS 77 + HB3 LYS 77 OK 79 100 - 79 - 3.6=68, 5315/3.0=9...(8) HD3 LYS 77 + HB3 LYS 77 OK 79 100 - 79 - 3.6=68, 5315/3.0=9...(8) HB3 LEU 127 - HB2 LYS 77 OK 20 90 - 22 - ~11471=5, ~11472=5...(5) HB3 LEU 127 - HB3 LYS 77 OK 20 89 - 22 - ~11471=5, ~11472=5...(5) HG2 LYS 16 - HB3 LYS 19 poor 10 79 - 12 - 3.8/7991=11 HB3 LEU 64 - HB3 LYS 19 lone 5 77 - 7 - ~11520=1, ~10784=1...(4) HG LEU 64 - HB3 LYS 19 lone 4 46 - 9 - ~11520=2, ~10784=2...(4) HG LEU 63 - HB2 LYS 77 lone 2 99 - 2 - HG LEU 63 - HB3 LYS 77 lone 2 99 - 2 - HG LEU 63 - HB3 LYS 19 lone 2 79 - 3 - HG3 LYS 40 - HB3 LYS 19 lone 2 79 - 2 - 2724/7991=1 HB ILE 116 - HB3 LYS 77 lone 2 98 - 2 - HB ILE 116 - HB2 LYS 77 lone 1 98 - 1 - HG2 LYS 16 - HB3 LYS 77 lone 1 99 - 1 - HB2 LEU 82 - HB3 LYS 19 lone 1 79 - 2 - HG2 LYS 16 - HB2 LYS 77 lone 1 100 - 1 - HB3 LEU 64 - HB3 LYS 77 lone 1 98 - 1 - HB3 LEU 64 - HB2 LYS 77 lone 1 99 - 1 - HG LEU 90 - HB3 LYS 19 lone 1 55 - 2 - HB2 LEU 82 - HB3 LYS 77 lone 1 99 - 1 - HB2 LEU 82 - HB2 LYS 77 lone 1 100 - 1 - HG3 LYS 40 - HB2 LYS 77 lone 1 99 - 1 - HG3 LYS 40 - HB3 LYS 77 lone 1 99 - 1 - HB ILE 116 - HB3 LYS 19 lone 1 76 - 1 - HG LEU 64 - HB2 LYS 77 lone 1 65 - 1 - HG LEU 64 - HB3 LYS 77 lone 1 65 - 1 - HG LEU 90 - HB2 LYS 77 lone 0 77 - 1 - HG LEU 90 - HB3 LYS 77 lone 0 76 - 1 - HD2 LYS 77 - HB3 LYS 19 lone 0 81 - 1 - HD3 LYS 77 - HB3 LYS 19 lone 0 80 - 1 - HB3 LEU 127 - HB3 LYS 19 lone 0 66 - 0 - Peak 5326 from cnoeabs.peaks (1.62, 1.84, 32.22 ppm; 3.16 A): 4 out of 33 assignments used, quality = 1.00: * HD3 LYS 77 + HB2 LYS 77 OK 79 100 - 79 - 3.6=68, 5316/3.0=9...(8) HD2 LYS 77 + HB2 LYS 77 OK 79 100 - 79 - 3.6=68, 5315/3.0=9...(8) HD3 LYS 77 + HB3 LYS 77 OK 79 100 - 79 - 3.6=68, 5316/3.0=9...(8) HD2 LYS 77 + HB3 LYS 77 OK 79 100 - 79 - 3.6=68, 5315/3.0=9...(8) HB3 LEU 127 - HB2 LYS 77 OK 20 92 - 22 - ~11471=5, ~11472=5...(5) HB3 LEU 127 - HB3 LYS 77 OK 20 91 - 22 - ~11471=5, ~11472=5...(5) HG2 LYS 16 - HB3 LYS 19 poor 10 79 - 12 - 3.8/7991=11 HB3 LEU 64 - HB3 LYS 19 lone 5 76 - 7 - ~11520=1, ~10784=1...(4) HG LEU 64 - HB3 LYS 19 lone 4 43 - 9 - ~11520=2, ~10784=2...(4) HG LEU 63 - HB2 LYS 77 lone 2 100 - 2 - HG LEU 63 - HB3 LYS 77 lone 2 99 - 2 - HG LEU 63 - HB3 LYS 19 lone 2 79 - 3 - HG3 LYS 40 - HB3 LYS 19 lone 2 79 - 2 - 2724/7991=1 HB ILE 116 - HB3 LYS 77 lone 1 96 - 2 - HB ILE 116 - HB2 LYS 77 lone 1 97 - 1 - HG2 LYS 16 - HB3 LYS 77 lone 1 99 - 1 - HB2 LEU 82 - HB3 LYS 19 lone 1 80 - 2 - HG2 LYS 16 - HB2 LYS 77 lone 1 99 - 1 - HB3 LEU 64 - HB3 LYS 77 lone 1 98 - 1 - HB3 LEU 64 - HB2 LYS 77 lone 1 98 - 1 - HB2 LEU 82 - HB3 LYS 77 lone 1 100 - 1 - HB2 LEU 82 - HB2 LYS 77 lone 1 100 - 1 - HG LEU 90 - HB3 LYS 19 lone 1 52 - 2 - HG3 LYS 40 - HB3 LYS 77 lone 1 99 - 1 - HG3 LYS 40 - HB2 LYS 77 lone 1 100 - 1 - HB ILE 116 - HB3 LYS 19 lone 1 75 - 1 - HG LEU 64 - HB2 LYS 77 lone 1 61 - 1 - HG LEU 64 - HB3 LYS 77 lone 1 61 - 1 - HD2 LYS 77 - HB3 LYS 19 lone 0 80 - 1 - HD3 LYS 77 - HB3 LYS 19 lone 0 81 - 1 - HG LEU 90 - HB2 LYS 77 lone 0 73 - 1 - HG LEU 90 - HB3 LYS 77 lone 0 73 - 1 - HB3 LEU 127 - HB3 LYS 19 lone 0 69 - 0 - Peak 5329 from cnoeabs.peaks (8.29, 1.84, 32.22 ppm; 4.09 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 77 + HB3 LYS 77 OK 100 100 - 100 - 4.0=100 H LYS 77 + HB2 LYS 77 OK 100 100 - 100 - 4.0=100 Peak 5330 from cnoeabs.peaks (4.55, 1.84, 32.22 ppm; 3.50 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 77 + HB3 LYS 77 OK 100 100 - 100 - 3.0=100 HA LYS 77 + HB2 LYS 77 OK 100 100 - 100 - 3.0=100 Peak 5331 from cnoeabs.peaks (1.84, 1.84, 32.22 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: HB3 LYS 77 + HB3 LYS 77 OK 100 100 - 100 HB2 LYS 77 + HB2 LYS 77 OK 100 100 - 100 HB3 LYS 19 + HB3 LYS 19 OK 78 78 - 100 Reference assignment not found: HB2 LYS 77 - HB3 LYS 77 Peak 5332 from cnoeabs.peaks (1.84, 1.84, 32.22 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 LYS 77 + HB3 LYS 77 OK 100 100 - 100 HB2 LYS 77 + HB2 LYS 77 OK 100 100 - 100 HB3 LYS 19 + HB3 LYS 19 OK 81 81 - 100 Peak 5333 from cnoeabs.peaks (1.35, 1.84, 32.22 ppm; 3.70 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 77 + HB3 LYS 77 OK 100 100 - 100 - 3.0=100 HG2 LYS 77 + HB2 LYS 77 OK 100 100 - 100 - 3.0=100 Peak 5334 from cnoeabs.peaks (1.17, 1.84, 32.22 ppm; 3.96 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 77 + HB3 LYS 77 OK 100 100 - 100 - 3.0=100 HG3 LYS 77 + HB2 LYS 77 OK 100 100 - 100 - 3.0=100 Peak 5335 from cnoeabs.peaks (1.62, 1.84, 32.22 ppm; 3.16 A): 4 out of 33 assignments used, quality = 1.00: * HD2 LYS 77 + HB3 LYS 77 OK 79 100 - 79 - 3.6=68, 5315/3.0=9...(8) HD3 LYS 77 + HB3 LYS 77 OK 79 100 - 79 - 3.6=68, 5315/3.0=9...(8) HD2 LYS 77 + HB2 LYS 77 OK 79 100 - 79 - 3.6=68, 5315/3.0=9...(8) HD3 LYS 77 + HB2 LYS 77 OK 79 100 - 79 - 3.6=68, 5315/3.0=9...(8) HB3 LEU 127 - HB3 LYS 77 OK 20 90 - 22 - ~11471=5, ~11472=5...(5) HB3 LEU 127 - HB2 LYS 77 OK 20 89 - 22 - ~11471=5, ~11472=5...(5) HG2 LYS 16 - HB3 LYS 19 OK 11 86 - 13 - 3.8/7991=12 HB3 LEU 64 - HB3 LYS 19 lone 6 84 - 7 - ~11520=1, ~10784=1...(4) HG LEU 64 - HB3 LYS 19 lone 5 51 - 10 - ~11520=2, ~10784=2...(5) HG LEU 63 - HB3 LYS 19 lone 2 85 - 3 - HG LEU 63 - HB2 LYS 77 lone 2 99 - 2 - HG LEU 63 - HB3 LYS 77 lone 2 99 - 2 - HG3 LYS 40 - HB3 LYS 19 lone 2 85 - 2 - 2724/7991=1 HB ILE 116 - HB3 LYS 77 lone 2 98 - 2 - HB ILE 116 - HB2 LYS 77 lone 2 98 - 2 - HB2 LEU 82 - HB3 LYS 19 lone 1 86 - 2 - HG2 LYS 16 - HB3 LYS 77 lone 1 100 - 1 - HG2 LYS 16 - HB2 LYS 77 lone 1 99 - 1 - HB3 LEU 64 - HB3 LYS 77 lone 1 99 - 1 - HB3 LEU 64 - HB2 LYS 77 lone 1 98 - 1 - HG LEU 90 - HB3 LYS 19 lone 1 61 - 2 - HB ILE 116 - HB3 LYS 19 lone 1 83 - 1 - HB2 LEU 82 - HB3 LYS 77 lone 1 100 - 1 - HB2 LEU 82 - HB2 LYS 77 lone 1 99 - 1 - HG3 LYS 40 - HB3 LYS 77 lone 1 99 - 1 - HG3 LYS 40 - HB2 LYS 77 lone 1 99 - 1 - HG LEU 64 - HB3 LYS 77 lone 1 65 - 1 - HG LEU 64 - HB2 LYS 77 lone 1 65 - 1 - HD2 LYS 77 - HB3 LYS 19 lone 0 87 - 1 - HD3 LYS 77 - HB3 LYS 19 lone 0 87 - 1 - HG LEU 90 - HB3 LYS 77 lone 0 77 - 1 - HG LEU 90 - HB2 LYS 77 lone 0 76 - 1 - HB3 LEU 127 - HB3 LYS 19 lone 0 73 - 0 - Peak 5336 from cnoeabs.peaks (1.62, 1.84, 32.22 ppm; 3.16 A): 4 out of 33 assignments used, quality = 1.00: * HD3 LYS 77 + HB3 LYS 77 OK 79 100 - 79 - 3.6=68, 5316/3.0=9...(8) HD2 LYS 77 + HB3 LYS 77 OK 79 100 - 79 - 3.6=68, 5315/3.0=9...(8) HD3 LYS 77 + HB2 LYS 77 OK 79 100 - 79 - 3.6=68, 5316/3.0=9...(8) HD2 LYS 77 + HB2 LYS 77 OK 79 100 - 79 - 3.6=68, 5315/3.0=9...(8) HB3 LEU 127 - HB3 LYS 77 OK 20 92 - 22 - ~11471=5, ~11472=5...(5) HB3 LEU 127 - HB2 LYS 77 OK 20 91 - 22 - ~11471=5, ~11472=5...(5) HG2 LYS 16 - HB3 LYS 19 OK 11 85 - 13 - 3.8/7991=12 HB3 LEU 64 - HB3 LYS 19 lone 6 83 - 7 - ~11520=1, ~10784=1...(4) HG LEU 64 - HB3 LYS 19 lone 4 47 - 9 - ~11520=2, ~10784=2...(5) HG LEU 63 - HB3 LYS 19 lone 2 86 - 3 - HG LEU 63 - HB2 LYS 77 lone 2 99 - 2 - HG LEU 63 - HB3 LYS 77 lone 2 100 - 2 - HG3 LYS 40 - HB3 LYS 19 lone 2 86 - 2 - 2724/7991=1 HB ILE 116 - HB3 LYS 77 lone 2 97 - 2 - HB2 LEU 82 - HB3 LYS 19 lone 1 87 - 2 - HB ILE 116 - HB2 LYS 77 lone 1 96 - 2 - HG2 LYS 16 - HB3 LYS 77 lone 1 99 - 1 - HG2 LYS 16 - HB2 LYS 77 lone 1 99 - 1 - HB3 LEU 64 - HB3 LYS 77 lone 1 98 - 1 - HB3 LEU 64 - HB2 LYS 77 lone 1 98 - 1 - HG LEU 90 - HB3 LYS 19 lone 1 58 - 2 - HB ILE 116 - HB3 LYS 19 lone 1 81 - 1 - HB2 LEU 82 - HB3 LYS 77 lone 1 100 - 1 - HB2 LEU 82 - HB2 LYS 77 lone 1 100 - 1 - HG3 LYS 40 - HB3 LYS 77 lone 1 100 - 1 - HG3 LYS 40 - HB2 LYS 77 lone 1 99 - 1 - HG LEU 64 - HB3 LYS 77 lone 1 61 - 1 - HG LEU 64 - HB2 LYS 77 lone 1 61 - 1 - HD2 LYS 77 - HB3 LYS 19 lone 0 87 - 1 - HD3 LYS 77 - HB3 LYS 19 lone 0 87 - 1 - HG LEU 90 - HB3 LYS 77 lone 0 73 - 1 - HG LEU 90 - HB2 LYS 77 lone 0 73 - 1 - HB3 LEU 127 - HB3 LYS 19 lone 0 75 - 0 - Peak 5339 from cnoeabs.peaks (8.29, 1.35, 24.49 ppm; 5.55 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 77 + HG2 LYS 77 OK 100 100 - 100 - 5.0=100 Peak 5340 from cnoeabs.peaks (4.55, 1.35, 24.49 ppm; 5.73 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 77 + HG2 LYS 77 OK 100 100 - 100 - 4.0=100 Peak 5341 from cnoeabs.peaks (1.84, 1.35, 24.49 ppm; 3.47 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 77 + HG2 LYS 77 OK 100 100 - 100 - 3.0=100 HB3 LYS 77 + HG2 LYS 77 OK 100 100 - 100 - 3.0=100 Peak 5342 from cnoeabs.peaks (1.84, 1.35, 24.49 ppm; 3.47 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 77 + HG2 LYS 77 OK 100 100 - 100 - 3.0=100 HB2 LYS 77 + HG2 LYS 77 OK 100 100 - 100 - 3.0=100 Peak 5343 from cnoeabs.peaks (1.35, 1.35, 24.49 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HG2 LYS 77 + HG2 LYS 77 OK 100 100 - 100 HG2 LYS 94 - HG2 LYS 94 OK 28 28 - 100 Peak 5344 from cnoeabs.peaks (1.17, 1.35, 24.49 ppm; 2.98 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 77 + HG2 LYS 77 OK 100 100 - 100 - 1.8=100 Peak 5345 from cnoeabs.peaks (1.62, 1.35, 24.49 ppm; 3.08 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 77 + HG2 LYS 77 OK 100 100 - 100 - 3.0=100 HD3 LYS 77 + HG2 LYS 77 OK 100 100 - 100 - 3.0=100 Peak 5346 from cnoeabs.peaks (1.62, 1.35, 24.49 ppm; 3.08 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 77 + HG2 LYS 77 OK 100 100 - 100 - 3.0=100 HD2 LYS 77 + HG2 LYS 77 OK 100 100 - 100 - 3.0=100 Peak 5347 from cnoeabs.peaks (2.83, 1.35, 24.49 ppm; 4.39 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 77 + HG2 LYS 77 OK 100 100 - 100 - 3.7=100 Peak 5348 from cnoeabs.peaks (2.58, 1.35, 24.49 ppm; 5.48 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 77 + HG2 LYS 77 OK 100 100 - 100 - 3.7=100 Peak 5349 from cnoeabs.peaks (8.29, 1.17, 24.49 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 77 + HG3 LYS 77 OK 100 100 - 100 - 5.0=100 Peak 5350 from cnoeabs.peaks (4.55, 1.17, 24.49 ppm; 4.73 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 77 + HG3 LYS 77 OK 100 100 - 100 - 4.0=100 Peak 5351 from cnoeabs.peaks (1.84, 1.17, 24.49 ppm; 3.68 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 77 + HG3 LYS 77 OK 100 100 - 100 - 3.0=100 HB3 LYS 77 + HG3 LYS 77 OK 100 100 - 100 - 3.0=100 Peak 5352 from cnoeabs.peaks (1.84, 1.17, 24.49 ppm; 3.68 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 77 + HG3 LYS 77 OK 100 100 - 100 - 3.0=100 HB2 LYS 77 + HG3 LYS 77 OK 100 100 - 100 - 3.0=100 Peak 5353 from cnoeabs.peaks (1.35, 1.17, 24.49 ppm; 2.95 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 77 + HG3 LYS 77 OK 100 100 - 100 - 1.8=100 Peak 5354 from cnoeabs.peaks (1.17, 1.17, 24.49 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 77 + HG3 LYS 77 OK 100 100 - 100 Peak 5355 from cnoeabs.peaks (1.62, 1.17, 24.49 ppm; 3.60 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 77 + HG3 LYS 77 OK 100 100 - 100 - 3.0=100 HD3 LYS 77 + HG3 LYS 77 OK 100 100 - 100 - 3.0=100 Peak 5356 from cnoeabs.peaks (1.62, 1.17, 24.49 ppm; 3.60 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 77 + HG3 LYS 77 OK 100 100 - 100 - 3.0=100 HD2 LYS 77 + HG3 LYS 77 OK 100 100 - 100 - 3.0=100 Peak 5357 from cnoeabs.peaks (2.83, 1.17, 24.49 ppm; 4.98 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 77 + HG3 LYS 77 OK 100 100 - 100 - 3.7=100 Peak 5358 from cnoeabs.peaks (2.58, 1.17, 24.49 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 77 + HG3 LYS 77 OK 100 100 - 100 - 3.7=100 Peak 5360 from cnoeabs.peaks (4.55, 1.62, 28.20 ppm; 3.73 A): 4 out of 6 assignments used, quality = 0.89: * HA LYS 77 + HD2 LYS 77 OK 62 100 - 62 - 5.4=32, 5315/1.8=16...(9) HA LYS 77 + HD3 LYS 77 OK 62 100 - 62 - 5.4=32, 5315/1.8=16...(9) HA PHE 79 + HD2 LYS 77 OK 13 61 - 22 - 3.0/11285=10, ~11285=6...(4) HA PHE 79 + HD3 LYS 77 OK 13 61 - 22 - 3.0/11285=10, ~11285=6...(4) HA ASN 88 - HD2 LYS 77 lone 1 84 - 1 - HA ASN 88 - HD3 LYS 77 lone 1 84 - 1 - Peak 5361 from cnoeabs.peaks (1.84, 1.62, 28.20 ppm; 3.92 A): 4 out of 4 assignments used, quality = 1.00: * HB2 LYS 77 + HD2 LYS 77 OK 100 100 - 100 - 3.6=100 HB2 LYS 77 + HD3 LYS 77 OK 100 100 - 100 - 3.6=100 HB3 LYS 77 + HD2 LYS 77 OK 100 100 - 100 - 3.6=100 HB3 LYS 77 + HD3 LYS 77 OK 100 100 - 100 - 3.6=100 Peak 5362 from cnoeabs.peaks (1.84, 1.62, 28.20 ppm; 3.92 A): 4 out of 4 assignments used, quality = 1.00: * HB3 LYS 77 + HD2 LYS 77 OK 100 100 - 100 - 3.6=100 HB3 LYS 77 + HD3 LYS 77 OK 100 100 - 100 - 3.6=100 HB2 LYS 77 + HD2 LYS 77 OK 100 100 - 100 - 3.6=100 HB2 LYS 77 + HD3 LYS 77 OK 100 100 - 100 - 3.6=100 Peak 5363 from cnoeabs.peaks (1.35, 1.62, 28.20 ppm; 3.58 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 77 + HD2 LYS 77 OK 100 100 - 100 - 3.0=100 HG2 LYS 77 + HD3 LYS 77 OK 100 100 - 100 - 3.0=100 Peak 5364 from cnoeabs.peaks (1.17, 1.62, 28.20 ppm; 3.68 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 77 + HD2 LYS 77 OK 100 100 - 100 - 3.0=100 HG3 LYS 77 + HD3 LYS 77 OK 100 100 - 100 - 3.0=100 Peak 5365 from cnoeabs.peaks (1.62, 1.62, 28.20 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 77 + HD2 LYS 77 OK 100 100 - 100 HD3 LYS 77 + HD3 LYS 77 OK 100 100 - 100 Peak 5366 from cnoeabs.peaks (1.62, 1.62, 28.20 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD2 LYS 77 + HD2 LYS 77 OK 100 100 - 100 HD3 LYS 77 + HD3 LYS 77 OK 100 100 - 100 Reference assignment not found: HD3 LYS 77 - HD2 LYS 77 Peak 5367 from cnoeabs.peaks (2.83, 1.62, 28.20 ppm; 3.76 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 77 + HD2 LYS 77 OK 100 100 - 100 - 3.0=100 HE2 LYS 77 + HD3 LYS 77 OK 100 100 - 100 - 3.0=100 Peak 5368 from cnoeabs.peaks (2.58, 1.62, 28.20 ppm; 3.76 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 77 + HD2 LYS 77 OK 100 100 - 100 - 3.0=100 HE3 LYS 77 + HD3 LYS 77 OK 100 100 - 100 - 3.0=100 Peak 5370 from cnoeabs.peaks (4.55, 1.62, 28.20 ppm; 3.73 A): 4 out of 6 assignments used, quality = 0.89: * HA LYS 77 + HD3 LYS 77 OK 62 100 - 62 - 5.4=32, 5315/1.8=16...(9) HA LYS 77 + HD2 LYS 77 OK 62 100 - 62 - 5.4=32, 5315/1.8=16...(9) HA PHE 79 + HD3 LYS 77 OK 13 61 - 22 - 3.0/11285=10, ~11285=6...(4) HA PHE 79 + HD2 LYS 77 OK 13 61 - 22 - 3.0/11285=10, ~11285=6...(4) HA ASN 88 - HD2 LYS 77 lone 1 84 - 1 - HA ASN 88 - HD3 LYS 77 lone 1 84 - 1 - Peak 5371 from cnoeabs.peaks (1.84, 1.62, 28.20 ppm; 3.92 A): 4 out of 4 assignments used, quality = 1.00: * HB2 LYS 77 + HD3 LYS 77 OK 100 100 - 100 - 3.6=100 HB2 LYS 77 + HD2 LYS 77 OK 100 100 - 100 - 3.6=100 HB3 LYS 77 + HD3 LYS 77 OK 100 100 - 100 - 3.6=100 HB3 LYS 77 + HD2 LYS 77 OK 100 100 - 100 - 3.6=100 Peak 5372 from cnoeabs.peaks (1.84, 1.62, 28.20 ppm; 3.92 A): 4 out of 4 assignments used, quality = 1.00: * HB3 LYS 77 + HD3 LYS 77 OK 100 100 - 100 - 3.6=100 HB3 LYS 77 + HD2 LYS 77 OK 100 100 - 100 - 3.6=100 HB2 LYS 77 + HD3 LYS 77 OK 100 100 - 100 - 3.6=100 HB2 LYS 77 + HD2 LYS 77 OK 100 100 - 100 - 3.6=100 Peak 5373 from cnoeabs.peaks (1.35, 1.62, 28.20 ppm; 3.58 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 77 + HD3 LYS 77 OK 100 100 - 100 - 3.0=100 HG2 LYS 77 + HD2 LYS 77 OK 100 100 - 100 - 3.0=100 Peak 5374 from cnoeabs.peaks (1.17, 1.62, 28.20 ppm; 3.68 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 77 + HD3 LYS 77 OK 100 100 - 100 - 3.0=100 HG3 LYS 77 + HD2 LYS 77 OK 100 100 - 100 - 3.0=100 Peak 5375 from cnoeabs.peaks (1.62, 1.62, 28.20 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 77 + HD3 LYS 77 OK 100 100 - 100 HD2 LYS 77 + HD2 LYS 77 OK 100 100 - 100 Reference assignment not found: HD2 LYS 77 - HD3 LYS 77 Peak 5376 from cnoeabs.peaks (1.62, 1.62, 28.20 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 77 + HD3 LYS 77 OK 100 100 - 100 HD2 LYS 77 + HD2 LYS 77 OK 100 100 - 100 Peak 5377 from cnoeabs.peaks (2.83, 1.62, 28.20 ppm; 3.76 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 77 + HD3 LYS 77 OK 100 100 - 100 - 3.0=100 HE2 LYS 77 + HD2 LYS 77 OK 100 100 - 100 - 3.0=100 Peak 5378 from cnoeabs.peaks (2.58, 1.62, 28.20 ppm; 3.76 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 77 + HD3 LYS 77 OK 100 100 - 100 - 3.0=100 HE3 LYS 77 + HD2 LYS 77 OK 100 100 - 100 - 3.0=100 Peak 5380 from cnoeabs.peaks (4.55, 2.83, 41.93 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 77 + HE2 LYS 77 OK 100 100 - 100 - 6.0=100 Peak 5383 from cnoeabs.peaks (1.35, 2.83, 41.93 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 77 + HE2 LYS 77 OK 100 100 - 100 - 3.7=100 Peak 5384 from cnoeabs.peaks (1.17, 2.83, 41.93 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 77 + HE2 LYS 77 OK 100 100 - 100 - 3.7=100 Peak 5385 from cnoeabs.peaks (1.62, 2.83, 41.93 ppm; 3.15 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 77 + HE2 LYS 77 OK 100 100 - 100 - 3.0=100 HD3 LYS 77 + HE2 LYS 77 OK 100 100 - 100 - 3.0=100 Peak 5386 from cnoeabs.peaks (1.62, 2.83, 41.93 ppm; 3.15 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 77 + HE2 LYS 77 OK 100 100 - 100 - 3.0=100 HD2 LYS 77 + HE2 LYS 77 OK 100 100 - 100 - 3.0=100 Peak 5387 from cnoeabs.peaks (2.83, 2.83, 41.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 77 + HE2 LYS 77 OK 100 100 - 100 Peak 5388 from cnoeabs.peaks (2.58, 2.83, 41.93 ppm; 2.66 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 77 + HE2 LYS 77 OK 100 100 - 100 - 1.8=100 Peak 5391 from cnoeabs.peaks (1.84, 2.58, 41.93 ppm; 5.21 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 77 + HE3 LYS 77 OK 100 100 - 100 - 4.7=100 HB3 LYS 77 + HE3 LYS 77 OK 100 100 - 100 - 4.7=100 Peak 5392 from cnoeabs.peaks (1.84, 2.58, 41.93 ppm; 5.21 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 77 + HE3 LYS 77 OK 100 100 - 100 - 4.7=100 HB2 LYS 77 + HE3 LYS 77 OK 100 100 - 100 - 4.7=100 Peak 5393 from cnoeabs.peaks (1.35, 2.58, 41.93 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 77 + HE3 LYS 77 OK 100 100 - 100 - 3.7=100 Peak 5394 from cnoeabs.peaks (1.17, 2.58, 41.93 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 77 + HE3 LYS 77 OK 100 100 - 100 - 3.7=100 Peak 5395 from cnoeabs.peaks (1.62, 2.58, 41.93 ppm; 3.45 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 77 + HE3 LYS 77 OK 100 100 - 100 - 3.0=100 HD3 LYS 77 + HE3 LYS 77 OK 100 100 - 100 - 3.0=100 Peak 5396 from cnoeabs.peaks (1.62, 2.58, 41.93 ppm; 3.45 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 77 + HE3 LYS 77 OK 100 100 - 100 - 3.0=100 HD2 LYS 77 + HE3 LYS 77 OK 100 100 - 100 - 3.0=100 Peak 5397 from cnoeabs.peaks (2.83, 2.58, 41.93 ppm; 2.64 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 77 + HE3 LYS 77 OK 100 100 - 100 - 1.8=100 Peak 5398 from cnoeabs.peaks (2.58, 2.58, 41.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 77 + HE3 LYS 77 OK 100 100 - 100 Peak 5399 from cnoeabs.peaks (7.83, 5.17, 60.23 ppm; 5.02 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 78 + HA VAL 78 OK 100 100 - 100 - 3.0=100 Peak 5400 from cnoeabs.peaks (5.17, 5.17, 60.23 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 78 + HA VAL 78 OK 100 100 - 100 Peak 5401 from cnoeabs.peaks (1.56, 5.17, 60.23 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 78 + HA VAL 78 OK 100 100 - 100 - 3.0=100 Peak 5402 from cnoeabs.peaks (0.72, 5.17, 60.23 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 78 + HA VAL 78 OK 100 100 - 100 - 3.2=100 Peak 5403 from cnoeabs.peaks (0.61, 5.17, 60.23 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 78 + HA VAL 78 OK 100 100 - 100 - 3.2=100 Peak 5404 from cnoeabs.peaks (7.83, 1.56, 34.35 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 78 + HB VAL 78 OK 100 100 - 100 - 3.7=100 Peak 5405 from cnoeabs.peaks (5.17, 1.56, 34.35 ppm; 4.65 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 78 + HB VAL 78 OK 100 100 - 100 - 3.0=100 Peak 5406 from cnoeabs.peaks (1.56, 1.56, 34.35 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 78 + HB VAL 78 OK 100 100 - 100 Peak 5407 from cnoeabs.peaks (0.72, 1.56, 34.35 ppm; 3.37 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 78 + HB VAL 78 OK 100 100 - 100 - 2.1=100 Peak 5408 from cnoeabs.peaks (0.61, 1.56, 34.35 ppm; 3.41 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 78 + HB VAL 78 OK 100 100 - 100 - 2.1=100 Peak 5409 from cnoeabs.peaks (7.83, 0.72, 22.14 ppm; 3.67 A): 3 out of 5 assignments used, quality = 0.93: * H VAL 78 + QG2 VAL 78 OK 90 100 - 90 - 4.0=76, 1518/2.1=27...(7) H ILE 97 + QG2 VAL 78 OK 22 100 - 22 - 4.7/9859=16, 4698/9875=2 H LYS 39 + QG2 VAL 78 OK 10 100 - 10 - 1651/9859=2, 2035/9862=1...(4) H TYR 27 - QG2 VAL 78 lone 1 77 - 2 - HE21 GLN 62 - QG2 VAL 78 lone 0 70 - 1 - Peak 5410 from cnoeabs.peaks (5.17, 0.72, 22.14 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 78 + QG2 VAL 78 OK 100 100 - 100 - 3.2=100 Peak 5411 from cnoeabs.peaks (1.56, 0.72, 22.14 ppm; 3.20 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 78 + QG2 VAL 78 OK 100 100 - 100 - 2.1=100 Peak 5412 from cnoeabs.peaks (0.72, 0.72, 22.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 78 + QG2 VAL 78 OK 100 100 - 100 Peak 5413 from cnoeabs.peaks (0.61, 0.72, 22.14 ppm; 2.89 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 78 + QG2 VAL 78 OK 100 100 - 100 - 2.1=100 Peak 5414 from cnoeabs.peaks (7.83, 0.61, 21.11 ppm; 4.23 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 78 + QG1 VAL 78 OK 100 100 - 100 - 4.0=100 Peak 5415 from cnoeabs.peaks (5.17, 0.61, 21.11 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 78 + QG1 VAL 78 OK 100 100 - 100 - 3.2=100 Peak 5416 from cnoeabs.peaks (1.56, 0.61, 21.11 ppm; 3.20 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 78 + QG1 VAL 78 OK 100 100 - 100 - 2.1=100 Peak 5417 from cnoeabs.peaks (0.72, 0.61, 21.11 ppm; 2.68 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 78 + QG1 VAL 78 OK 100 100 - 100 - 2.1=100 Peak 5418 from cnoeabs.peaks (0.61, 0.61, 21.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 78 + QG1 VAL 78 OK 100 100 - 100 Peak 5419 from cnoeabs.peaks (8.37, 4.57, 55.95 ppm; 5.35 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 79 + HA PHE 79 OK 100 100 - 100 - 3.0=100 Peak 5420 from cnoeabs.peaks (4.57, 4.57, 55.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 79 + HA PHE 79 OK 100 100 - 100 Peak 5421 from cnoeabs.peaks (1.04, 4.57, 55.95 ppm; 4.93 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 79 + HA PHE 79 OK 100 100 - 100 - 3.0=100 Peak 5422 from cnoeabs.peaks (2.08, 4.57, 55.95 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 79 + HA PHE 79 OK 100 100 - 100 - 3.0=100 Peak 5426 from cnoeabs.peaks (6.72, 4.57, 55.95 ppm; 4.68 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 79 + HA PHE 79 OK 100 100 - 100 - 3.7=100 Peak 5427 from cnoeabs.peaks (8.37, 1.04, 40.18 ppm; 5.81 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 79 + HB2 PHE 79 OK 100 100 - 100 - 4.0=100 Peak 5428 from cnoeabs.peaks (4.57, 1.04, 40.18 ppm; 5.07 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 79 + HB2 PHE 79 OK 100 100 - 100 - 3.0=100 Peak 5429 from cnoeabs.peaks (1.04, 1.04, 40.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 79 + HB2 PHE 79 OK 100 100 - 100 Peak 5430 from cnoeabs.peaks (2.08, 1.04, 40.18 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 79 + HB2 PHE 79 OK 100 100 - 100 - 1.8=100 Peak 5434 from cnoeabs.peaks (6.72, 1.04, 40.18 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 79 + HB2 PHE 79 OK 100 100 - 100 - 2.4=100 Peak 5435 from cnoeabs.peaks (8.37, 2.08, 40.18 ppm; 4.96 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 79 + HB3 PHE 79 OK 100 100 - 100 - 4.0=100 Peak 5436 from cnoeabs.peaks (4.57, 2.08, 40.18 ppm; 4.92 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 79 + HB3 PHE 79 OK 100 100 - 100 - 3.0=100 Peak 5437 from cnoeabs.peaks (1.04, 2.08, 40.18 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 79 + HB3 PHE 79 OK 100 100 - 100 - 1.8=100 Peak 5438 from cnoeabs.peaks (2.08, 2.08, 40.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 79 + HB3 PHE 79 OK 100 100 - 100 Peak 5442 from cnoeabs.peaks (6.72, 2.08, 40.18 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 79 + HB3 PHE 79 OK 100 100 - 100 - 2.4=100 Peak 5457 from cnoeabs.peaks (7.10, 7.10, 130.23 ppm; diagonal): 1 out of 1 assignment used, quality = 0.98: * QE PHE 79 + QE PHE 79 OK 98 98 - 100 Peak 5458 from cnoeabs.peaks (6.72, 7.10, 130.23 ppm; 3.49 A): 1 out of 1 assignment used, quality = 0.98: * QD PHE 79 + QE PHE 79 OK 98 98 - 100 - 2.2=100 Peak 5459 from cnoeabs.peaks (8.37, 6.72, 131.81 ppm; 6.03 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 79 + QD PHE 79 OK 100 100 - 100 - 4.5=100 Peak 5460 from cnoeabs.peaks (4.57, 6.72, 131.81 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 79 + QD PHE 79 OK 100 100 - 100 - 3.7=100 Peak 5461 from cnoeabs.peaks (1.04, 6.72, 131.81 ppm; 4.83 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 79 + QD PHE 79 OK 100 100 - 100 - 2.4=100 Peak 5462 from cnoeabs.peaks (2.08, 6.72, 131.81 ppm; 5.05 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 79 + QD PHE 79 OK 100 100 - 100 - 2.4=100 Peak 5465 from cnoeabs.peaks (7.10, 6.72, 131.81 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 79 + QD PHE 79 OK 100 100 - 100 - 2.2=100 Peak 5466 from cnoeabs.peaks (6.72, 6.72, 131.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 79 + QD PHE 79 OK 100 100 - 100 Peak 5467 from cnoeabs.peaks (8.60, 5.55, 54.00 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 80 + HA LEU 80 OK 100 100 - 100 - 3.0=100 Peak 5468 from cnoeabs.peaks (5.55, 5.55, 54.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 80 + HA LEU 80 OK 100 100 - 100 Peak 5469 from cnoeabs.peaks (1.75, 5.55, 54.00 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 80 + HA LEU 80 OK 100 100 - 100 - 3.0=100 Peak 5470 from cnoeabs.peaks (1.29, 5.55, 54.00 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 80 + HA LEU 80 OK 100 100 - 100 - 3.0=100 Peak 5471 from cnoeabs.peaks (1.44, 5.55, 54.00 ppm; 3.98 A): 2 out of 18 assignments used, quality = 0.96: * HG LEU 80 + HA LEU 80 OK 93 100 - 93 - 4.3=81, 2.1/5503=38...(9) HB3 LEU 6 + HA LEU 80 OK 45 70 - 64 - 3.9/9065=24, 3.1/9067=23...(9) HG12 ILE 7 - HA LEU 80 poor 10 65 - 15 - 11387/3.6=4, 2.1/5473=3...(7) HB2 LEU 4 - HA LEU 80 lone 7 99 - 7 - 11529/9877=2, ~9916=1 HB3 LEU 4 - HA LEU 80 lone 7 99 - 7 - 11529/9877=2, ~9916=1 HG2 LYS 39 - HA LEU 80 lone 7 73 - 10 - 11039/3.9=2, 11039/3.9=2 HG LEU 4 - HA LEU 80 lone 6 92 - 7 - ~9916=2, 1531/3.0=1 HG3 LYS 17 - HA LEU 80 lone 5 87 - 6 - 3.0/9917=2, 11395/9977=1 HG2 LYS 106 - HA LEU 80 lone 2 61 - 4 - HG12 ILE 57 - HA LEU 80 lone 2 61 - 4 - 11387/3.6=2 HG3 LYS 49 - HA LEU 80 lone 2 70 - 2 - HG2 LYS 49 - HA LEU 80 lone 2 70 - 2 - HG3 ARG 30 - HA LEU 80 lone 1 90 - 1 - HG2 LYS 96 - HA LEU 80 lone 1 100 - 1 - HG3 LYS 44 - HA LEU 80 lone 1 100 - 1 - HB3 LYS 61 - HA LEU 80 lone 1 94 - 1 - HB3 LEU 63 - HA LEU 80 lone 1 77 - 1 - HG12 ILE 56 - HA LEU 80 lone 1 81 - 1 - Peak 5472 from cnoeabs.peaks (0.78, 5.55, 54.00 ppm; 3.46 A): 2 out of 10 assignments used, quality = 0.98: * QD2 LEU 80 + HA LEU 80 OK 88 100 - 88 - 3.9=69, 2.1/5503=30...(10) QD1 LEU 80 + HA LEU 80 OK 84 100 - 84 - 3.9=69, 7715/3.6=19...(9) QD1 LEU 81 - HA LEU 80 OK 19 84 - 23 - 4.8/504=17, 3.1/9917=3...(4) QD1 ILE 7 - HA LEU 80 OK 18 94 - 19 - 9087/3.6=12...(5) QD1 LEU 82 - HA LEU 80 OK 16 100 - 16 - 2.1/9977=9, ~9986=3...(4) QG1 VAL 107 - HA LEU 80 lone 5 84 - 5 - 509/3.6=2, 7859/3.0=1 QD1 ILE 15 - HA LEU 80 lone 2 87 - 2 - QD2 LEU 64 - HA LEU 80 lone 2 97 - 2 - QG2 VAL 32 - HA LEU 80 lone 1 84 - 2 - QD2 LEU 14 - HA LEU 80 lone 1 84 - 1 - Peak 5473 from cnoeabs.peaks (0.78, 5.55, 54.00 ppm; 3.46 A): 2 out of 10 assignments used, quality = 0.98: QD2 LEU 80 + HA LEU 80 OK 88 100 - 88 - 3.9=69, 2.1/5503=30...(10) * QD1 LEU 80 + HA LEU 80 OK 84 100 - 84 - 3.9=69, 7715/3.6=19...(9) QD1 LEU 81 - HA LEU 80 OK 19 81 - 23 - 4.8/504=17, 3.1/9917=3...(4) QD1 ILE 7 - HA LEU 80 OK 18 96 - 19 - 9087/3.6=12...(5) QD1 LEU 82 - HA LEU 80 OK 16 100 - 16 - 2.1/9977=9, ~9986=3...(4) QG1 VAL 107 - HA LEU 80 lone 5 87 - 5 - 509/3.6=2, 7859/3.0=1 QD1 ILE 15 - HA LEU 80 lone 2 90 - 2 - QD2 LEU 64 - HA LEU 80 lone 2 96 - 2 - QG2 VAL 32 - HA LEU 80 lone 1 87 - 2 - QD2 LEU 14 - HA LEU 80 lone 1 87 - 1 - Peak 5474 from cnoeabs.peaks (8.60, 1.75, 45.67 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 80 + HB2 LEU 80 OK 100 100 - 100 - 3.8=100 Peak 5475 from cnoeabs.peaks (5.55, 1.75, 45.67 ppm; 4.44 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 80 + HB2 LEU 80 OK 100 100 - 100 - 3.0=100 Peak 5476 from cnoeabs.peaks (1.75, 1.75, 45.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 80 + HB2 LEU 80 OK 100 100 - 100 Peak 5477 from cnoeabs.peaks (1.29, 1.75, 45.67 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 80 + HB2 LEU 80 OK 100 100 - 100 - 1.8=100 Peak 5478 from cnoeabs.peaks (1.44, 1.75, 45.67 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 80 + HB2 LEU 80 OK 100 100 - 100 - 3.0=100 Peak 5479 from cnoeabs.peaks (0.78, 1.75, 45.67 ppm; 3.35 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 80 + HB2 LEU 80 OK 100 100 - 100 - 3.1=100 QD1 LEU 80 + HB2 LEU 80 OK 100 100 - 100 - 3.1=100 Peak 5480 from cnoeabs.peaks (0.78, 1.75, 45.67 ppm; 3.35 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 80 + HB2 LEU 80 OK 100 100 - 100 - 3.1=100 QD2 LEU 80 + HB2 LEU 80 OK 100 100 - 100 - 3.1=100 Peak 5481 from cnoeabs.peaks (8.60, 1.29, 45.67 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 80 + HB3 LEU 80 OK 100 100 - 100 - 3.8=100 Peak 5482 from cnoeabs.peaks (5.55, 1.29, 45.67 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 80 + HB3 LEU 80 OK 100 100 - 100 - 3.0=100 Peak 5483 from cnoeabs.peaks (1.75, 1.29, 45.67 ppm; 3.24 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 80 + HB3 LEU 80 OK 100 100 - 100 - 1.8=100 Peak 5484 from cnoeabs.peaks (1.29, 1.29, 45.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 80 + HB3 LEU 80 OK 100 100 - 100 Peak 5485 from cnoeabs.peaks (1.44, 1.29, 45.67 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 80 + HB3 LEU 80 OK 100 100 - 100 - 3.0=100 Peak 5486 from cnoeabs.peaks (0.78, 1.29, 45.67 ppm; 3.41 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 80 + HB3 LEU 80 OK 100 100 - 100 - 3.1=100 QD1 LEU 80 + HB3 LEU 80 OK 100 100 - 100 - 3.1=100 Peak 5487 from cnoeabs.peaks (0.78, 1.29, 45.67 ppm; 3.41 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 80 + HB3 LEU 80 OK 100 100 - 100 - 3.1=100 QD2 LEU 80 + HB3 LEU 80 OK 100 100 - 100 - 3.1=100 Peak 5489 from cnoeabs.peaks (5.55, 1.44, 28.31 ppm; 5.51 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 80 + HG LEU 80 OK 100 100 - 100 - 4.3=100 Peak 5490 from cnoeabs.peaks (1.75, 1.44, 28.31 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 80 + HG LEU 80 OK 100 100 - 100 - 3.0=100 Peak 5491 from cnoeabs.peaks (1.29, 1.44, 28.31 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 80 + HG LEU 80 OK 100 100 - 100 - 3.0=100 Peak 5492 from cnoeabs.peaks (1.44, 1.44, 28.31 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 80 + HG LEU 80 OK 100 100 - 100 HG LEU 4 + HG LEU 4 OK 64 64 - 100 Peak 5493 from cnoeabs.peaks (0.78, 1.44, 28.31 ppm; 3.18 A): 2 out of 2 assignments used, quality = 1.00: * QD2 LEU 80 + HG LEU 80 OK 100 100 - 100 - 2.1=100 QD1 LEU 80 + HG LEU 80 OK 100 100 - 100 - 2.1=100 Peak 5494 from cnoeabs.peaks (0.78, 1.44, 28.31 ppm; 3.18 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 80 + HG LEU 80 OK 100 100 - 100 - 2.1=100 QD2 LEU 80 + HG LEU 80 OK 100 100 - 100 - 2.1=100 Peak 5495 from cnoeabs.peaks (8.60, 0.78, 27.66 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 80 + QD2 LEU 80 OK 100 100 - 100 - 4.7=100 Peak 5496 from cnoeabs.peaks (5.55, 0.78, 27.66 ppm; 5.29 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 80 + QD2 LEU 80 OK 100 100 - 100 - 3.9=100 Peak 5497 from cnoeabs.peaks (1.75, 0.78, 27.66 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 80 + QD2 LEU 80 OK 100 100 - 100 - 3.1=100 Peak 5498 from cnoeabs.peaks (1.29, 0.78, 27.66 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 80 + QD2 LEU 80 OK 100 100 - 100 - 3.1=100 Peak 5499 from cnoeabs.peaks (1.44, 0.78, 27.66 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 80 + QD2 LEU 80 OK 100 100 - 100 - 2.1=100 Peak 5500 from cnoeabs.peaks (0.78, 0.78, 27.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 80 + QD2 LEU 80 OK 100 100 - 100 Peak 5501 from cnoeabs.peaks (0.78, 0.78, 27.66 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: QD2 LEU 80 + QD2 LEU 80 OK 100 100 - 100 Reference assignment not found: QD1 LEU 80 - QD2 LEU 80 Peak 5502 from cnoeabs.peaks (8.60, 0.78, 25.50 ppm; 4.53 A): 1 out of 8 assignments used, quality = 0.98: * H LEU 80 + QD1 LEU 80 OK 98 100 - 98 - 4.7=92, 3.0/5503=39...(9) H LYS 94 - QD1 LEU 80 OK 44 99 - 45 - 10100/2.1=8, 10100=8...(14) H THR 108 - QD1 LEU 80 lone 6 100 - 6 - 4.2/11092=1, 690=1 H ALA 124 - QD1 LEU 80 lone 4 100 - 4 - 10622/9935=1 H GLN 85 - QD1 LEU 80 lone 3 73 - 4 - 10029/11092=2 H ASP 12 - QD1 LEU 80 lone 3 77 - 3 - H ILE 71 - QD1 LEU 80 lone 2 100 - 2 - H LYS 49 - QD1 LEU 80 lone 1 98 - 1 - Peak 5503 from cnoeabs.peaks (5.55, 0.78, 25.50 ppm; 3.74 A): 1 out of 1 assignment used, quality = 0.95: * HA LEU 80 + QD1 LEU 80 OK 95 100 - 95 - 3.9=88, 3.6/7715=23...(11) Peak 5504 from cnoeabs.peaks (1.75, 0.78, 25.50 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 80 + QD1 LEU 80 OK 100 100 - 100 - 3.1=100 Peak 5505 from cnoeabs.peaks (1.29, 0.78, 25.50 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 80 + QD1 LEU 80 OK 100 100 - 100 - 3.1=100 Peak 5506 from cnoeabs.peaks (1.44, 0.78, 25.50 ppm; 3.06 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 80 + QD1 LEU 80 OK 100 100 - 100 - 2.1=100 Peak 5507 from cnoeabs.peaks (0.78, 0.78, 25.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: QD1 LEU 80 + QD1 LEU 80 OK 100 100 - 100 Reference assignment not found: QD2 LEU 80 - QD1 LEU 80 Peak 5508 from cnoeabs.peaks (0.78, 0.78, 25.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 80 + QD1 LEU 80 OK 100 100 - 100 Peak 5509 from cnoeabs.peaks (9.06, 5.27, 53.06 ppm; 4.96 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 81 + HA LEU 81 OK 100 100 - 100 - 3.0=100 Peak 5510 from cnoeabs.peaks (5.27, 5.27, 53.06 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 81 + HA LEU 81 OK 100 100 - 100 Peak 5511 from cnoeabs.peaks (1.92, 5.27, 53.06 ppm; 4.85 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 81 + HA LEU 81 OK 100 100 - 100 - 3.0=100 Peak 5512 from cnoeabs.peaks (1.36, 5.27, 53.06 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 81 + HA LEU 81 OK 100 100 - 100 - 3.0=100 Peak 5513 from cnoeabs.peaks (1.35, 5.27, 53.06 ppm; 3.95 A): 1 out of 1 assignment used, quality = 0.92: HB3 LEU 81 + HA LEU 81 OK 92 92 - 100 - 3.0=100 Reference assignment not found: HG LEU 81 - HA LEU 81 Peak 5514 from cnoeabs.peaks (0.79, 5.27, 53.06 ppm; 3.59 A): 2 out of 7 assignments used, quality = 0.96: * QD1 LEU 81 + HA LEU 81 OK 93 100 - 93 - 3.9=78, 2.1/5531=22...(14) QD2 LEU 80 + HA LEU 81 OK 42 84 - 50 - ~7715=14, ~506=9...(14) QD1 LEU 80 - HA LEU 81 OK 37 81 - 46 - 7715/3.0=18, ~506=9...(11) QD1 LEU 82 - HA LEU 81 OK 31 90 - 35 - 4.6/511=17, 3.1/10972=4...(8) QD2 LEU 64 - HA LEU 81 lone 8 98 - 8 - 9693/4739=3, 4716/4711=2 QD1 LEU 114 - HA LEU 81 lone 1 73 - 1 - QG1 VAL 29 - HA LEU 81 lone 1 90 - 1 - Peak 5515 from cnoeabs.peaks (0.71, 5.27, 53.06 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 81 + HA LEU 81 OK 100 100 - 100 - 3.9=100 Peak 5516 from cnoeabs.peaks (9.06, 1.92, 45.78 ppm; 4.58 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 81 + HB2 LEU 81 OK 100 100 - 100 - 3.8=100 Peak 5517 from cnoeabs.peaks (5.27, 1.92, 45.78 ppm; 4.71 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 81 + HB2 LEU 81 OK 100 100 - 100 - 3.0=100 Peak 5518 from cnoeabs.peaks (1.92, 1.92, 45.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 81 + HB2 LEU 81 OK 100 100 - 100 Peak 5519 from cnoeabs.peaks (1.36, 1.92, 45.78 ppm; 3.24 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 81 + HB2 LEU 81 OK 100 100 - 100 - 1.8=100 HG LEU 81 + HB2 LEU 81 OK 92 92 - 100 - 3.0=100 Peak 5520 from cnoeabs.peaks (1.35, 1.92, 45.78 ppm; 3.24 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 81 + HB2 LEU 81 OK 100 100 - 100 - 3.0=100 HB3 LEU 81 + HB2 LEU 81 OK 92 92 - 100 - 1.8=100 Peak 5521 from cnoeabs.peaks (0.79, 1.92, 45.78 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 81 + HB2 LEU 81 OK 100 100 - 100 - 3.1=100 Peak 5522 from cnoeabs.peaks (0.71, 1.92, 45.78 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 81 + HB2 LEU 81 OK 100 100 - 100 - 3.1=100 Peak 5523 from cnoeabs.peaks (9.06, 1.36, 45.78 ppm; 4.42 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 81 + HB3 LEU 81 OK 100 100 - 100 - 3.8=100 Peak 5524 from cnoeabs.peaks (5.27, 1.36, 45.78 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 81 + HB3 LEU 81 OK 100 100 - 100 - 3.0=100 Peak 5525 from cnoeabs.peaks (1.92, 1.36, 45.78 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 81 + HB3 LEU 81 OK 100 100 - 100 - 1.8=100 Peak 5526 from cnoeabs.peaks (1.36, 1.36, 45.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 81 + HB3 LEU 81 OK 100 100 - 100 Peak 5527 from cnoeabs.peaks (1.35, 1.36, 45.78 ppm; diagonal): 1 out of 1 assignment used, quality = 0.92: HB3 LEU 81 + HB3 LEU 81 OK 92 92 - 100 Reference assignment not found: HG LEU 81 - HB3 LEU 81 Peak 5528 from cnoeabs.peaks (0.79, 1.36, 45.78 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 81 + HB3 LEU 81 OK 100 100 - 100 - 3.1=100 Peak 5529 from cnoeabs.peaks (0.71, 1.36, 45.78 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 81 + HB3 LEU 81 OK 100 100 - 100 - 3.1=100 Peak 5530 from cnoeabs.peaks (9.06, 1.35, 27.36 ppm; 5.07 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 81 + HG LEU 81 OK 100 100 - 100 - 4.7=100 Peak 5531 from cnoeabs.peaks (5.27, 1.35, 27.36 ppm; 4.23 A): 1 out of 2 assignments used, quality = 1.00: * HA LEU 81 + HG LEU 81 OK 100 100 - 100 - 4.3=97, 5538/2.1=40...(17) HA GLN 83 - HG LEU 81 OK 17 94 - 18 - 5538/2.1=6...(5) Peak 5532 from cnoeabs.peaks (1.92, 1.35, 27.36 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 81 + HG LEU 81 OK 100 100 - 100 - 3.0=100 Peak 5533 from cnoeabs.peaks (1.36, 1.35, 27.36 ppm; diagonal): 1 out of 1 assignment used, quality = 0.92: HG LEU 81 + HG LEU 81 OK 92 92 - 100 Reference assignment not found: HB3 LEU 81 - HG LEU 81 Peak 5534 from cnoeabs.peaks (1.35, 1.35, 27.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 81 + HG LEU 81 OK 100 100 - 100 Peak 5535 from cnoeabs.peaks (0.79, 1.35, 27.36 ppm; 3.15 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 81 + HG LEU 81 OK 100 100 - 100 - 2.1=100 Peak 5536 from cnoeabs.peaks (0.71, 1.35, 27.36 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 81 + HG LEU 81 OK 100 100 - 100 - 2.1=100 Peak 5537 from cnoeabs.peaks (9.06, 0.79, 24.93 ppm; 4.44 A): 1 out of 2 assignments used, quality = 0.98: * H LEU 81 + QD1 LEU 81 OK 98 100 - 98 - 4.8=81, 3.0/5538=37...(14) H LEU 4 - QD1 LEU 81 lone 2 65 - 4 - 9041/9954=2 Peak 5538 from cnoeabs.peaks (5.27, 0.79, 24.93 ppm; 3.29 A): 2 out of 2 assignments used, quality = 0.87: * HA LEU 81 + QD1 LEU 81 OK 85 100 - 85 - 3.9=60, 3.6/7720=18...(14) HA GLN 83 + QD1 LEU 81 OK 12 94 - 13 - 9990/11402=3, 5531/2.1=3...(4) Peak 5539 from cnoeabs.peaks (1.92, 0.79, 24.93 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 81 + QD1 LEU 81 OK 100 100 - 100 - 3.1=100 Peak 5540 from cnoeabs.peaks (1.36, 0.79, 24.93 ppm; 2.79 A): 1 out of 1 assignment used, quality = 0.92: HG LEU 81 + QD1 LEU 81 OK 92 92 - 100 - 2.1=100 Reference assignment not found: HB3 LEU 81 - QD1 LEU 81 Peak 5541 from cnoeabs.peaks (1.35, 0.79, 24.93 ppm; 2.79 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 81 + QD1 LEU 81 OK 100 100 - 100 - 2.1=100 Peak 5542 from cnoeabs.peaks (0.79, 0.79, 24.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 81 + QD1 LEU 81 OK 100 100 - 100 Peak 5543 from cnoeabs.peaks (0.71, 0.79, 24.93 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 81 + QD1 LEU 81 OK 100 100 - 100 - 2.1=100 Peak 5544 from cnoeabs.peaks (9.06, 0.71, 25.86 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 81 + QD2 LEU 81 OK 100 100 - 100 - 4.8=100 Peak 5545 from cnoeabs.peaks (5.27, 0.71, 25.86 ppm; 5.66 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 81 + QD2 LEU 81 OK 100 100 - 100 - 3.9=100 Peak 5546 from cnoeabs.peaks (1.92, 0.71, 25.86 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 81 + QD2 LEU 81 OK 100 100 - 100 - 3.1=100 Peak 5547 from cnoeabs.peaks (1.36, 0.71, 25.86 ppm; 3.15 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 81 + QD2 LEU 81 OK 100 100 - 100 - 3.1=100 HG LEU 81 + QD2 LEU 81 OK 92 92 - 100 - 2.1=100 Peak 5548 from cnoeabs.peaks (1.35, 0.71, 25.86 ppm; 3.15 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 81 + QD2 LEU 81 OK 100 100 - 100 - 2.1=100 HB3 LEU 81 + QD2 LEU 81 OK 92 92 - 100 - 3.1=100 Peak 5549 from cnoeabs.peaks (0.79, 0.71, 25.86 ppm; 2.74 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 81 + QD2 LEU 81 OK 100 100 - 100 - 2.1=100 Peak 5550 from cnoeabs.peaks (0.71, 0.71, 25.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 81 + QD2 LEU 81 OK 100 100 - 100 Peak 5552 from cnoeabs.peaks (4.91, 4.91, 53.13 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 82 + HA LEU 82 OK 100 100 - 100 Peak 5553 from cnoeabs.peaks (1.62, 4.91, 53.13 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 82 + HA LEU 82 OK 100 100 - 100 - 3.0=100 Peak 5554 from cnoeabs.peaks (1.74, 4.91, 53.13 ppm; 4.85 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 82 + HA LEU 82 OK 100 100 - 100 - 3.0=100 Peak 5555 from cnoeabs.peaks (1.60, 4.91, 53.13 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 82 + HA LEU 82 OK 100 100 - 100 - 4.3=100 Peak 5556 from cnoeabs.peaks (0.82, 4.91, 53.13 ppm; 3.74 A): 1 out of 8 assignments used, quality = 0.97: * QD2 LEU 82 + HA LEU 82 OK 97 100 - 97 - 3.9=89, 1546/2.9=22...(13) QD1 LEU 64 - HA LEU 82 OK 11 90 - 12 - 522/3.6=3, 1546/2.9=2...(5) QG2 ILE 57 - HA LEU 82 lone 6 77 - 8 - 522/3.6=2, 1546/2.9=2, ~516=1 QD1 LEU 114 - HA LEU 82 lone 2 57 - 4 - QG2 ILE 71 - HA LEU 82 lone 1 96 - 1 - QD2 LEU 74 - HA LEU 82 lone 1 98 - 1 - QD1 LEU 74 - HA LEU 82 lone 1 96 - 1 - QG2 ILE 5 - HA LEU 82 lone 1 73 - 2 - Peak 5557 from cnoeabs.peaks (0.78, 4.91, 53.13 ppm; 3.89 A): 2 out of 10 assignments used, quality = 1.00: * QD1 LEU 82 + HA LEU 82 OK 100 100 - 100 - 3.9=100 QD1 LEU 81 + HA LEU 82 OK 52 90 - 58 - 7720/2.9=26, ~7719=13...(9) QD2 LEU 80 - HA LEU 82 OK 21 100 - 21 - 11093/3.0=5, 11093/4.3=4...(7) QD1 ILE 7 - HA LEU 82 OK 19 90 - 21 - 3.2/9080=7, 4.7/9078=5...(6) QD1 LEU 80 - HA LEU 82 OK 16 100 - 16 - 1547/2.9=3, ~9964=3...(5) QD2 LEU 64 - HA LEU 82 OK 14 99 - 14 - 11393/9095=3, 2.1/5556=3...(6) QG1 VAL 107 - HA LEU 82 OK 11 77 - 14 - 523/3.6=5, 11186/3.0=3...(5) QG2 VAL 32 - HA LEU 82 lone 4 77 - 5 - 3427/3.6=2, 10928/9080=1 QD2 LEU 14 - HA LEU 82 lone 3 77 - 4 - 523/3.6=3 QD1 ILE 15 - HA LEU 82 lone 1 81 - 1 - Peak 5558 from cnoeabs.peaks (8.86, 1.62, 44.22 ppm; 4.86 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 82 + HB2 LEU 82 OK 100 100 - 100 - 4.0=100 Peak 5559 from cnoeabs.peaks (4.91, 1.62, 44.22 ppm; 4.77 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 82 + HB2 LEU 82 OK 100 100 - 100 - 3.0=100 Peak 5560 from cnoeabs.peaks (1.62, 1.62, 44.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 82 + HB2 LEU 82 OK 100 100 - 100 Peak 5561 from cnoeabs.peaks (1.74, 1.62, 44.22 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 82 + HB2 LEU 82 OK 100 100 - 100 - 1.8=100 Peak 5562 from cnoeabs.peaks (1.60, 1.62, 44.22 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 82 + HB2 LEU 82 OK 100 100 - 100 - 3.0=100 Peak 5563 from cnoeabs.peaks (0.82, 1.62, 44.22 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 82 + HB2 LEU 82 OK 100 100 - 100 - 3.1=100 Peak 5564 from cnoeabs.peaks (0.78, 1.62, 44.22 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 82 + HB2 LEU 82 OK 100 100 - 100 - 3.1=100 Peak 5565 from cnoeabs.peaks (8.86, 1.74, 44.22 ppm; 4.85 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 82 + HB3 LEU 82 OK 100 100 - 100 - 4.0=100 Peak 5566 from cnoeabs.peaks (4.91, 1.74, 44.22 ppm; 4.93 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 82 + HB3 LEU 82 OK 100 100 - 100 - 3.0=100 Peak 5567 from cnoeabs.peaks (1.62, 1.74, 44.22 ppm; 3.44 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 82 + HB3 LEU 82 OK 100 100 - 100 - 1.8=100 Peak 5568 from cnoeabs.peaks (1.74, 1.74, 44.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 82 + HB3 LEU 82 OK 100 100 - 100 Peak 5569 from cnoeabs.peaks (1.60, 1.74, 44.22 ppm; 3.44 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 82 + HB3 LEU 82 OK 100 100 - 100 - 3.0=100 Peak 5570 from cnoeabs.peaks (0.82, 1.74, 44.22 ppm; 4.53 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 82 + HB3 LEU 82 OK 100 100 - 100 - 3.1=100 Peak 5571 from cnoeabs.peaks (0.78, 1.74, 44.22 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 82 + HB3 LEU 82 OK 100 100 - 100 - 3.1=100 Peak 5572 from cnoeabs.peaks (8.86, 1.60, 26.76 ppm; 5.06 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 82 + HG LEU 82 OK 100 100 - 100 - 5.0=100 Peak 5573 from cnoeabs.peaks (4.91, 1.60, 26.76 ppm; 5.95 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 82 + HG LEU 82 OK 100 100 - 100 - 4.3=100 Peak 5574 from cnoeabs.peaks (1.62, 1.60, 26.76 ppm; 2.40 A): 2 out of 10 assignments used, quality = 0.66: * HB2 LEU 82 + HG LEU 82 OK 62 100 - 62 - 3.0=52, 4.0/1545=7...(6) HG LEU 90 + HG LEU 82 OK 10 65 - 15 - 2.1/10973=10, ~9967=2, ~9965=2 HB ILE 116 - HG LEU 82 lone 3 94 - 3 - HG2 LYS 16 - HG LEU 82 lone 1 98 - 1 - HB3 LEU 64 - HG LEU 82 lone 1 96 - 1 - HG LEU 63 - HG LEU 82 lone 1 100 - 1 - HG3 LYS 40 - HG LEU 82 lone 0 100 - 0 - HD3 LYS 77 - HG LEU 82 lone 0 100 - 0 - HD2 LYS 77 - HG LEU 82 lone 0 100 - 0 - HB3 LEU 127 - HG LEU 82 lone 0 96 - 0 - Peak 5575 from cnoeabs.peaks (1.74, 1.60, 26.76 ppm; 3.10 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 82 + HG LEU 82 OK 100 100 - 100 - 3.0=100 Peak 5576 from cnoeabs.peaks (1.60, 1.60, 26.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG LEU 82 + HG LEU 82 OK 100 100 - 100 Peak 5577 from cnoeabs.peaks (0.82, 1.60, 26.76 ppm; 3.21 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 82 + HG LEU 82 OK 100 100 - 100 - 2.1=100 Peak 5578 from cnoeabs.peaks (0.78, 1.60, 26.76 ppm; 3.14 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 82 + HG LEU 82 OK 100 100 - 100 - 2.1=100 Peak 5579 from cnoeabs.peaks (8.86, 0.82, 23.86 ppm; 4.52 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 82 + QD2 LEU 82 OK 100 100 - 100 - 4.6=98, 1545/2.1=41...(8) H SER 35 - QD2 LEU 82 lone 1 99 - 1 - Peak 5580 from cnoeabs.peaks (4.91, 0.82, 23.86 ppm; 3.44 A): 1 out of 3 assignments used, quality = 0.89: * HA LEU 82 + QD2 LEU 82 OK 89 100 - 89 - 3.9=69, 2.9/1546=19...(13) HA ARG 105 - QD2 LEU 82 lone 5 99 - 5 - ~10267=2, ~1697=1 HA ILE 57 - QD2 LEU 82 lone 5 100 - 5 - 9094/9098=1 Peak 5581 from cnoeabs.peaks (1.62, 0.82, 23.86 ppm; 3.13 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 82 + QD2 LEU 82 OK 100 100 - 100 - 3.1=100 Peak 5582 from cnoeabs.peaks (1.74, 0.82, 23.86 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 82 + QD2 LEU 82 OK 100 100 - 100 - 3.1=100 Peak 5583 from cnoeabs.peaks (1.60, 0.82, 23.86 ppm; 3.05 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 82 + QD2 LEU 82 OK 100 100 - 100 - 2.1=100 Peak 5584 from cnoeabs.peaks (0.82, 0.82, 23.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 82 + QD2 LEU 82 OK 100 100 - 100 Peak 5585 from cnoeabs.peaks (0.78, 0.82, 23.86 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 82 + QD2 LEU 82 OK 100 100 - 100 - 2.1=100 Peak 5586 from cnoeabs.peaks (8.86, 0.78, 26.01 ppm; 5.79 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 82 + QD1 LEU 82 OK 100 100 - 100 - 4.6=100 Peak 5587 from cnoeabs.peaks (4.91, 0.78, 26.01 ppm; 5.32 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 82 + QD1 LEU 82 OK 100 100 - 100 - 3.9=100 Peak 5588 from cnoeabs.peaks (1.62, 0.78, 26.01 ppm; 3.31 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 82 + QD1 LEU 82 OK 100 100 - 100 - 3.1=100 Peak 5589 from cnoeabs.peaks (1.74, 0.78, 26.01 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 82 + QD1 LEU 82 OK 100 100 - 100 - 3.1=100 Peak 5590 from cnoeabs.peaks (1.60, 0.78, 26.01 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 82 + QD1 LEU 82 OK 100 100 - 100 - 2.1=100 Peak 5591 from cnoeabs.peaks (0.82, 0.78, 26.01 ppm; 2.57 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 82 + QD1 LEU 82 OK 100 100 - 100 - 2.1=100 Peak 5592 from cnoeabs.peaks (0.78, 0.78, 26.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 82 + QD1 LEU 82 OK 100 100 - 100 Peak 5593 from cnoeabs.peaks (8.44, 5.26, 54.59 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 83 + HA GLN 83 OK 100 100 - 100 - 3.0=100 Peak 5594 from cnoeabs.peaks (5.26, 5.26, 54.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 83 + HA GLN 83 OK 100 100 - 100 Peak 5595 from cnoeabs.peaks (2.21, 5.26, 54.59 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 83 + HA GLN 83 OK 100 100 - 100 - 3.0=100 Peak 5596 from cnoeabs.peaks (1.42, 5.26, 54.59 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 83 + HA GLN 83 OK 100 100 - 100 - 3.0=100 Peak 5597 from cnoeabs.peaks (2.34, 5.26, 54.59 ppm; 4.29 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 83 + HA GLN 83 OK 100 100 - 100 - 3.9=100 Peak 5598 from cnoeabs.peaks (2.12, 5.26, 54.59 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 83 + HA GLN 83 OK 100 100 - 100 - 3.9=100 Peak 5601 from cnoeabs.peaks (8.44, 2.21, 29.87 ppm; 4.50 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 83 + HB2 GLN 83 OK 100 100 - 100 - 4.0=100 Peak 5602 from cnoeabs.peaks (5.26, 2.21, 29.87 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 83 + HB2 GLN 83 OK 100 100 - 100 - 3.0=100 Peak 5603 from cnoeabs.peaks (2.21, 2.21, 29.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 83 + HB2 GLN 83 OK 100 100 - 100 Peak 5604 from cnoeabs.peaks (1.42, 2.21, 29.87 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 83 + HB2 GLN 83 OK 100 100 - 100 - 1.8=100 Peak 5605 from cnoeabs.peaks (2.34, 2.21, 29.87 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 83 + HB2 GLN 83 OK 100 100 - 100 - 3.0=100 Peak 5606 from cnoeabs.peaks (2.12, 2.21, 29.87 ppm; 3.20 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 83 + HB2 GLN 83 OK 100 100 - 100 - 3.0=100 Peak 5609 from cnoeabs.peaks (8.44, 1.42, 29.87 ppm; 4.81 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 83 + HB3 GLN 83 OK 100 100 - 100 - 4.0=100 Peak 5610 from cnoeabs.peaks (5.26, 1.42, 29.87 ppm; 4.49 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 83 + HB3 GLN 83 OK 100 100 - 100 - 3.0=100 Peak 5611 from cnoeabs.peaks (2.21, 1.42, 29.87 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 83 + HB3 GLN 83 OK 100 100 - 100 - 1.8=100 Peak 5612 from cnoeabs.peaks (1.42, 1.42, 29.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 83 + HB3 GLN 83 OK 100 100 - 100 Peak 5613 from cnoeabs.peaks (2.34, 1.42, 29.87 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 83 + HB3 GLN 83 OK 100 100 - 100 - 3.0=100 Peak 5614 from cnoeabs.peaks (2.12, 1.42, 29.87 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 83 + HB3 GLN 83 OK 100 100 - 100 - 3.0=100 Peak 5615 from cnoeabs.peaks (7.20, 1.42, 29.87 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * HE21 GLN 83 + HB3 GLN 83 OK 100 100 - 100 - 4.4=100 HE22 GLN 83 + HB3 GLN 83 OK 100 100 - 100 - 4.4=100 Peak 5616 from cnoeabs.peaks (7.20, 1.42, 29.87 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * HE22 GLN 83 + HB3 GLN 83 OK 100 100 - 100 - 4.4=100 HE21 GLN 83 + HB3 GLN 83 OK 100 100 - 100 - 4.4=100 Peak 5618 from cnoeabs.peaks (5.26, 2.34, 33.72 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 83 + HG2 GLN 83 OK 100 100 - 100 - 3.9=100 Peak 5619 from cnoeabs.peaks (2.21, 2.34, 33.72 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 83 + HG2 GLN 83 OK 100 100 - 100 - 3.0=100 Peak 5620 from cnoeabs.peaks (1.42, 2.34, 33.72 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 83 + HG2 GLN 83 OK 100 100 - 100 - 3.0=100 Peak 5621 from cnoeabs.peaks (2.34, 2.34, 33.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 83 + HG2 GLN 83 OK 100 100 - 100 Peak 5622 from cnoeabs.peaks (2.12, 2.34, 33.72 ppm; 3.19 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 83 + HG2 GLN 83 OK 100 100 - 100 - 1.8=100 Peak 5623 from cnoeabs.peaks (7.20, 2.34, 33.72 ppm; 4.08 A): 2 out of 2 assignments used, quality = 1.00: * HE21 GLN 83 + HG2 GLN 83 OK 100 100 - 100 - 3.5=100 HE22 GLN 83 + HG2 GLN 83 OK 100 100 - 100 - 3.5=100 Peak 5624 from cnoeabs.peaks (7.20, 2.34, 33.72 ppm; 4.08 A): 2 out of 2 assignments used, quality = 1.00: * HE22 GLN 83 + HG2 GLN 83 OK 100 100 - 100 - 3.5=100 HE21 GLN 83 + HG2 GLN 83 OK 100 100 - 100 - 3.5=100 Peak 5625 from cnoeabs.peaks (8.44, 2.12, 33.72 ppm; 5.61 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 83 + HG3 GLN 83 OK 100 100 - 100 - 5.0=100 Peak 5626 from cnoeabs.peaks (5.26, 2.12, 33.72 ppm; 4.69 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 83 + HG3 GLN 83 OK 100 100 - 100 - 3.9=100 Peak 5627 from cnoeabs.peaks (2.21, 2.12, 33.72 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 83 + HG3 GLN 83 OK 100 100 - 100 - 3.0=100 Peak 5628 from cnoeabs.peaks (1.42, 2.12, 33.72 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 83 + HG3 GLN 83 OK 100 100 - 100 - 3.0=100 Peak 5629 from cnoeabs.peaks (2.34, 2.12, 33.72 ppm; 3.11 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 83 + HG3 GLN 83 OK 100 100 - 100 - 1.8=100 Peak 5630 from cnoeabs.peaks (2.12, 2.12, 33.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 83 + HG3 GLN 83 OK 100 100 - 100 Peak 5631 from cnoeabs.peaks (7.20, 2.12, 33.72 ppm; 4.14 A): 2 out of 2 assignments used, quality = 1.00: * HE21 GLN 83 + HG3 GLN 83 OK 100 100 - 100 - 3.5=100 HE22 GLN 83 + HG3 GLN 83 OK 100 100 - 100 - 3.5=100 Peak 5632 from cnoeabs.peaks (7.20, 2.12, 33.72 ppm; 4.14 A): 2 out of 2 assignments used, quality = 1.00: * HE22 GLN 83 + HG3 GLN 83 OK 100 100 - 100 - 3.5=100 HE21 GLN 83 + HG3 GLN 83 OK 100 100 - 100 - 3.5=100 Peak 5633 from cnoeabs.peaks (8.21, 4.50, 54.02 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 84 + HA ASP 84 OK 100 100 - 100 - 2.9=100 Peak 5634 from cnoeabs.peaks (4.50, 4.50, 54.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 84 + HA ASP 84 OK 100 100 - 100 Peak 5635 from cnoeabs.peaks (2.59, 4.50, 54.02 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 84 + HA ASP 84 OK 100 100 - 100 - 3.0=100 Peak 5636 from cnoeabs.peaks (2.66, 4.50, 54.02 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 84 + HA ASP 84 OK 100 100 - 100 - 3.0=100 Peak 5637 from cnoeabs.peaks (8.21, 2.59, 43.77 ppm; 4.88 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 84 + HB2 ASP 84 OK 100 100 - 100 - 4.1=100 Peak 5638 from cnoeabs.peaks (4.50, 2.59, 43.77 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 84 + HB2 ASP 84 OK 100 100 - 100 - 3.0=100 Peak 5639 from cnoeabs.peaks (2.59, 2.59, 43.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 84 + HB2 ASP 84 OK 100 100 - 100 Peak 5640 from cnoeabs.peaks (2.66, 2.59, 43.77 ppm; 3.07 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 84 + HB2 ASP 84 OK 100 100 - 100 - 1.8=100 Peak 5641 from cnoeabs.peaks (8.21, 2.66, 43.77 ppm; 4.84 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 84 + HB3 ASP 84 OK 100 100 - 100 - 4.1=100 Peak 5642 from cnoeabs.peaks (4.50, 2.66, 43.77 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 84 + HB3 ASP 84 OK 100 100 - 100 - 3.0=100 Peak 5643 from cnoeabs.peaks (2.59, 2.66, 43.77 ppm; 3.03 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 84 + HB3 ASP 84 OK 100 100 - 100 - 1.8=100 Peak 5644 from cnoeabs.peaks (2.66, 2.66, 43.77 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 84 + HB3 ASP 84 OK 100 100 - 100 Peak 5645 from cnoeabs.peaks (8.62, 4.33, 56.59 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 85 + HA GLN 85 OK 100 100 - 100 - 3.0=100 Peak 5646 from cnoeabs.peaks (4.33, 4.33, 56.59 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 85 + HA GLN 85 OK 100 100 - 100 Peak 5647 from cnoeabs.peaks (2.17, 4.33, 56.59 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 85 + HA GLN 85 OK 100 100 - 100 - 3.0=100 Peak 5648 from cnoeabs.peaks (2.04, 4.33, 56.59 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 85 + HA GLN 85 OK 100 100 - 100 - 3.0=100 Peak 5649 from cnoeabs.peaks (2.41, 4.33, 56.59 ppm; 3.72 A): 2 out of 9 assignments used, quality = 1.00: * HG2 GLN 85 + HA GLN 85 OK 98 100 - 98 - 3.9=88, 5657/3.0=13...(29) HG3 GLN 85 + HA GLN 85 OK 98 100 - 98 - 3.9=88, 5657/3.0=13...(29) HG3 GLN 62 - HA GLN 85 OK 29 99 - 30 - 5670=5, 1.8/5670=4...(13) HG2 GLN 62 - HA GLN 85 OK 29 98 - 30 - 5670=5, 1.8/5670=4...(13) HB2 ASP 110 - HA GLN 85 lone 4 94 - 4 - 1564/3.0=1, ~535=1 HG2 GLU 66 - HA GLN 85 lone 4 73 - 6 - HG2 GLN 122 - HA GLN 85 lone 2 100 - 2 - HG3 MET 67 - HA GLN 85 lone 2 87 - 2 - HG2 GLU 91 - HA GLN 85 lone 1 92 - 1 - Peak 5650 from cnoeabs.peaks (2.40, 4.33, 56.59 ppm; 3.72 A): 2 out of 9 assignments used, quality = 1.00: * HG3 GLN 85 + HA GLN 85 OK 98 100 - 98 - 3.9=88, 5658/3.0=13...(29) HG2 GLN 85 + HA GLN 85 OK 98 100 - 98 - 3.9=88, 5658/3.0=13...(29) HG3 GLN 62 - HA GLN 85 OK 29 97 - 30 - 5670=5, 1.8/5670=4...(13) HG2 GLN 62 - HA GLN 85 OK 28 96 - 30 - 5670=5, 1.8/5670=4...(13) HG2 GLU 66 - HA GLN 85 lone 5 81 - 6 - HB2 ASP 110 - HA GLN 85 lone 4 90 - 4 - 1564/3.0=1, ~535=1 HG2 GLN 122 - HA GLN 85 lone 2 100 - 2 - HG3 MET 67 - HA GLN 85 lone 2 92 - 2 - HG2 GLU 91 - HA GLN 85 lone 1 87 - 1 - Peak 5653 from cnoeabs.peaks (8.62, 2.17, 29.33 ppm; 3.77 A): 1 out of 16 assignments used, quality = 0.95: * H GLN 85 + HB2 GLN 85 OK 95 100 - 95 - 4.0=86, 1563/1.8=29...(9) H GLN 85 - HB2 GLU 98 OK 12 91 - 13 - 1562=4, 1563/1.8=2...(5) H THR 108 - HB2 GLN 85 OK 11 84 - 14 - 4.0/11122=8, 5661/1.8=2 H LYS 94 - HB2 GLN 85 lone 2 90 - 3 - H ALA 124 - HB2 GLN 85 lone 2 73 - 3 - H LYS 94 - HB2 GLU 98 lone 2 76 - 2 - H THR 108 - HB2 GLU 98 lone 2 71 - 2 - 4.0/11122=1 H LYS 49 - HB2 GLN 85 lone 1 92 - 1 - H ILE 71 - HB2 GLN 85 lone 1 61 - 1 - H ASN 8 - HB2 GLN 85 lone 1 70 - 1 - H LEU 80 - HB2 GLN 85 lone 1 73 - 1 - H ALA 124 - HB2 GLU 98 lone 1 61 - 1 - H ILE 71 - HB2 GLU 98 lone 1 50 - 1 - H LYS 49 - HB2 GLU 98 lone 0 79 - 1 - H LEU 80 - HB2 GLU 98 lone 0 61 - 0 - H ASN 8 - HB2 GLU 98 lone 0 57 - 0 - Peak 5654 from cnoeabs.peaks (4.33, 2.17, 29.33 ppm; 3.16 A): 2 out of 2 assignments used, quality = 1.00: * HA GLN 85 + HB2 GLN 85 OK 100 100 - 100 - 3.0=100 HA GLU 98 + HB2 GLU 98 OK 90 90 - 100 - 2.9=100 Peak 5655 from cnoeabs.peaks (2.17, 2.17, 29.33 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLN 85 + HB2 GLN 85 OK 100 100 - 100 HB2 GLU 98 + HB2 GLU 98 OK 87 87 - 100 Peak 5656 from cnoeabs.peaks (2.04, 2.17, 29.33 ppm; 2.40 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLN 85 + HB2 GLN 85 OK 100 100 - 100 - 1.8=100 HB3 GLU 98 + HB2 GLU 98 OK 71 71 - 100 - 1.8=100 Peak 5657 from cnoeabs.peaks (2.41, 2.17, 29.33 ppm; 2.92 A): 2 out of 18 assignments used, quality = 1.00: * HG2 GLN 85 + HB2 GLN 85 OK 97 100 - 97 - 3.0=93, 5680/1.8=9...(19) HG3 GLN 85 + HB2 GLN 85 OK 97 100 - 97 - 3.0=93, 5680/1.8=10...(19) HG3 GLN 62 - HB2 GLN 85 OK 16 99 - 16 - 5649/3.0=2, 5672/1.8=2...(6) HG2 GLN 62 - HB2 GLN 85 OK 15 98 - 16 - 5649/3.0=2, 5672/1.8=2...(6) HG2 GLN 85 - HB2 GLU 98 lone 8 91 - 8 - HG3 GLN 85 - HB2 GLU 98 lone 8 90 - 8 - HG2 GLU 66 - HB2 GLN 85 lone 4 73 - 5 - HB2 ASP 110 - HB2 GLN 85 lone 4 94 - 4 - 4.0/7737=2 HG2 GLU 66 - HB2 GLU 98 lone 2 61 - 4 - HG2 GLN 122 - HB2 GLN 85 lone 2 100 - 2 - HG3 MET 67 - HB2 GLN 85 lone 2 87 - 2 - HG2 GLN 122 - HB2 GLU 98 lone 1 91 - 2 - HG3 GLN 62 - HB2 GLU 98 lone 1 88 - 1 - HG2 GLN 62 - HB2 GLU 98 lone 1 87 - 1 - HG2 GLU 91 - HB2 GLU 98 lone 1 79 - 1 - HG3 MET 67 - HB2 GLU 98 lone 1 74 - 1 - HG2 GLU 91 - HB2 GLN 85 lone 0 92 - 0 - HB2 ASP 110 - HB2 GLU 98 lone 0 81 - 0 - Peak 5658 from cnoeabs.peaks (2.40, 2.17, 29.33 ppm; 2.92 A): 2 out of 18 assignments used, quality = 1.00: * HG3 GLN 85 + HB2 GLN 85 OK 97 100 - 97 - 3.0=93, 5680/1.8=10...(19) HG2 GLN 85 + HB2 GLN 85 OK 97 100 - 97 - 3.0=93, 5680/1.8=10...(19) HG3 GLN 62 - HB2 GLN 85 OK 15 97 - 16 - 5649/3.0=2, 5672/1.8=2...(6) HG2 GLN 62 - HB2 GLN 85 OK 15 96 - 16 - 5649/3.0=2, 5672/1.8=2...(6) HG3 GLN 85 - HB2 GLU 98 lone 8 91 - 8 - HG2 GLN 85 - HB2 GLU 98 lone 8 90 - 8 - HG2 GLU 66 - HB2 GLN 85 lone 4 81 - 5 - HB2 ASP 110 - HB2 GLN 85 lone 3 90 - 4 - 4.0/7737=2 HG2 GLU 66 - HB2 GLU 98 lone 3 68 - 4 - HG2 GLN 122 - HB2 GLN 85 lone 2 100 - 2 - HG3 MET 67 - HB2 GLN 85 lone 2 92 - 2 - HG2 GLN 122 - HB2 GLU 98 lone 1 91 - 2 - HG3 GLN 62 - HB2 GLU 98 lone 1 85 - 1 - HG2 GLN 62 - HB2 GLU 98 lone 1 83 - 1 - HG3 MET 67 - HB2 GLU 98 lone 1 79 - 1 - HG2 GLU 91 - HB2 GLU 98 lone 1 74 - 1 - HG2 GLU 91 - HB2 GLN 85 lone 0 87 - 0 - HB2 ASP 110 - HB2 GLU 98 lone 0 76 - 0 - Peak 5661 from cnoeabs.peaks (8.62, 2.04, 29.33 ppm; 3.35 A): 1 out of 56 assignments used, quality = 0.80: * H GLN 85 + HB3 GLN 85 OK 80 100 - 80 - 4.0=60, 5653/1.8=21...(9) H THR 108 - HB3 GLN 85 lone 8 84 - 9 - 4.0/10325=4, 5653/1.8=3 H GLN 85 - HB2 GLU 66 lone 7 99 - 7 - 1563=3 H GLN 85 - HB2 GLU 89 lone 6 98 - 6 - 1563=2, 1563/1.8=2, 4.6/539=1 H GLN 85 - HB3 GLU 89 lone 6 98 - 6 - 1563=2, 1563/1.8=2, 4.6/539=1 H GLN 85 - HB3 GLU 98 lone 6 63 - 9 - 1563=3, 1562/1.8=3 H GLN 85 - HB3 GLU 87 lone 4 73 - 5 - 1563=2, 4.6/539=2 H ALA 124 - HB2 GLU 66 lone 3 71 - 5 - 784/4.1=2 H LYS 94 - HB2 GLU 89 lone 3 85 - 3 - 4.6/581=2 H LYS 94 - HB3 GLU 89 lone 3 85 - 3 - 4.6/581=2 H THR 108 - HB3 GLU 89 lone 2 80 - 2 - H THR 108 - HB2 GLU 89 lone 2 80 - 2 - H THR 108 - HB3 GLU 87 lone 2 54 - 4 - 4.0/10325=3 H LYS 94 - HB3 GLN 85 lone 2 90 - 2 - H ALA 124 - HB3 GLN 85 lone 2 73 - 2 - H LYS 94 - HB2 GLU 66 lone 2 87 - 2 - H ALA 124 - HB2 GLU 89 lone 1 69 - 2 - H ALA 124 - HB3 GLU 89 lone 1 69 - 2 - H ILE 71 - HB2 GLU 66 lone 1 59 - 2 - H THR 108 - HB2 GLU 66 lone 1 81 - 1 - H LYS 49 - HB3 GLN 85 lone 1 92 - 1 - H LYS 94 - HB3 GLU 98 lone 1 51 - 2 - H LEU 80 - HB2 GLU 66 lone 1 71 - 1 - H ASN 8 - HB3 GLU 89 lone 1 65 - 1 - H ASN 8 - HB2 GLU 89 lone 1 65 - 1 - H GLN 85 - HB3 GLN 100 lone 1 83 - 1 - H ILE 71 - HB3 GLN 85 lone 1 61 - 1 - H LYS 94 - HB3 GLU 87 lone 1 59 - 1 - H THR 108 - HB3 GLU 98 lone 1 46 - 2 - H LEU 80 - HB3 GLN 85 lone 1 73 - 1 - H ASN 8 - HB3 GLN 85 lone 1 70 - 1 - H ILE 71 - HB3 GLN 100 lone 1 44 - 1 - H ASN 8 - HB3 GLU 87 lone 1 43 - 1 - H ASN 8 - HB2 GLU 66 lone 1 67 - 1 - H LEU 80 - HB2 GLU 89 lone 0 69 - 1 - H LEU 80 - HB3 GLU 89 lone 0 69 - 1 - H LEU 80 - HB3 GLN 100 lone 0 54 - 1 - H LYS 94 - HB3 GLN 100 lone 0 68 - 1 - H LYS 49 - HB2 GLU 66 lone 0 89 - 0 - H ALA 124 - HB3 GLN 100 lone 0 54 - 1 - H LYS 49 - HB3 GLU 89 lone 0 88 - 0 - H LYS 49 - HB2 GLU 89 lone 0 88 - 0 - H THR 108 - HB3 GLN 100 lone 0 63 - 1 - H ILE 71 - HB2 GLU 89 lone 0 58 - 1 - H ILE 71 - HB3 GLU 89 lone 0 58 - 1 - H LYS 49 - HB3 GLN 100 lone 0 71 - 0 - H ALA 124 - HB3 GLU 98 lone 0 39 - 1 - H LYS 49 - HB3 GLU 87 lone 0 62 - 0 - H LYS 49 - HB3 GLU 98 lone 0 53 - 0 - H ILE 71 - HB3 GLU 98 lone 0 32 - 1 - H ALA 124 - HB3 GLU 87 lone 0 46 - 0 - H ASN 8 - HB3 GLN 100 lone 0 50 - 0 - H LEU 80 - HB3 GLU 98 lone 0 39 - 0 - H ILE 71 - HB3 GLU 87 lone 0 38 - 0 - H LEU 80 - HB3 GLU 87 lone 0 46 - 0 - H ASN 8 - HB3 GLU 98 lone 0 37 - 0 - Peak 5662 from cnoeabs.peaks (4.33, 2.04, 29.33 ppm; 3.07 A): 2 out of 2 assignments used, quality = 1.00: * HA GLN 85 + HB3 GLN 85 OK 100 100 - 100 - 3.0=100 HA GLU 98 + HB3 GLU 98 OK 63 63 - 100 - 2.9=100 Peak 5663 from cnoeabs.peaks (2.17, 2.04, 29.33 ppm; 2.40 A): 2 out of 2 assignments used, quality = 1.00: * HB2 GLN 85 + HB3 GLN 85 OK 100 100 - 100 - 1.8=100 HB2 GLU 98 + HB3 GLU 98 OK 59 59 - 100 - 1.8=100 Peak 5664 from cnoeabs.peaks (2.04, 2.04, 29.33 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HB3 GLN 85 + HB3 GLN 85 OK 100 100 - 100 HB2 GLU 66 + HB2 GLU 66 OK 99 99 - 100 HB3 GLU 89 + HB3 GLU 89 OK 98 98 - 100 HB2 GLU 89 + HB2 GLU 89 OK 98 98 - 100 HB3 GLN 100 + HB3 GLN 100 OK 75 75 - 100 HB3 GLU 87 + HB3 GLU 87 OK 73 73 - 100 HB3 GLU 98 + HB3 GLU 98 OK 46 46 - 100 Peak 5665 from cnoeabs.peaks (2.41, 2.04, 29.33 ppm; 2.78 A): 3 out of 63 assignments used, quality = 1.00: * HG2 GLN 85 + HB3 GLN 85 OK 91 100 - 91 - 3.0=79, 5657/1.8=11...(23) HG3 GLN 85 + HB3 GLN 85 OK 91 100 - 91 - 3.0=79, 5657/1.8=11...(23) HG2 GLU 66 + HB2 GLU 66 OK 65 71 - 93 - 3.0=80, 1.8/4909=19...(18) HG3 GLN 62 - HB3 GLN 85 OK 16 99 - 16 - 5672=2, 5657/1.8=2...(5) HG2 GLN 62 - HB3 GLN 85 OK 16 98 - 16 - 5672=2, 5657/1.8=2...(5) HG3 MET 67 - HB2 GLU 66 OK 14 84 - 17 - 4941/4.1=4, 3.3/4951=2...(5) HG3 GLN 85 - HB2 GLU 66 lone 10 99 - 10 - 5680=1 HG2 GLN 85 - HB2 GLU 66 lone 9 99 - 10 - 5680=1 HG2 GLU 66 - HB3 GLU 89 lone 6 69 - 9 - 1.8/4909=2 HG2 GLU 66 - HB2 GLU 89 lone 6 69 - 9 - 1.8/4909=2 HG2 GLN 122 - HB2 GLU 66 lone 6 99 - 6 - 7933/4.1=1 HG2 GLN 85 - HB3 GLU 98 lone 5 63 - 8 - HG3 GLN 85 - HB3 GLU 98 lone 5 63 - 8 - HG2 GLU 66 - HB3 GLN 85 lone 4 73 - 5 - 1.8/4909=1 HG2 GLU 66 - HB3 GLU 87 lone 3 46 - 7 - 1.8/4909=2, 4904/1.8=1, ~4910=1 HB2 ASP 110 - HB3 GLN 85 lone 3 94 - 3 - 4.0/7738=1 HG2 GLN 85 - HB3 GLU 89 lone 3 98 - 3 - HG2 GLN 85 - HB2 GLU 89 lone 3 98 - 3 - HG3 GLN 85 - HB2 GLU 89 lone 3 98 - 3 - HG3 GLN 85 - HB3 GLU 89 lone 3 98 - 3 - HG3 MET 67 - HB3 GLN 100 lone 2 65 - 4 - 3.7/11121=1 HG2 GLN 122 - HB3 GLN 85 lone 2 100 - 2 - HG3 GLN 62 - HB2 GLU 66 lone 2 97 - 2 - HG2 GLN 62 - HB2 GLU 66 lone 2 96 - 2 - HG3 MET 67 - HB3 GLN 85 lone 2 87 - 2 - HG2 GLU 91 - HB3 GLU 89 lone 1 88 - 2 - HG2 GLU 91 - HB2 GLU 89 lone 1 88 - 2 - HG2 GLU 66 - HB3 GLU 98 lone 1 39 - 4 - 1.8/4909=1 HG2 GLN 85 - HB3 GLU 87 lone 1 73 - 2 - HG3 GLN 85 - HB3 GLU 87 lone 1 73 - 2 - HG2 GLN 122 - HB3 GLU 89 lone 1 98 - 1 - HG2 GLN 122 - HB2 GLU 89 lone 1 98 - 1 - HB2 ASP 110 - HB3 GLU 89 lone 1 90 - 1 - HB2 ASP 110 - HB2 GLU 89 lone 1 90 - 1 - HG2 GLU 66 - HB3 GLN 100 lone 1 54 - 2 - HG2 GLN 122 - HB3 GLU 98 lone 1 63 - 1 - HG2 GLU 91 - HB3 GLU 87 lone 1 62 - 1 - HG3 MET 67 - HB2 GLU 89 lone 1 83 - 1 - HG3 MET 67 - HB3 GLU 89 lone 1 83 - 1 - HG2 GLN 122 - HB3 GLU 87 lone 1 73 - 1 - HG3 GLN 62 - HB3 GLU 98 lone 1 60 - 1 - HG2 GLN 62 - HB3 GLU 98 lone 1 59 - 1 - HG2 GLN 85 - HB3 GLN 100 lone 1 83 - 1 - HG3 GLN 85 - HB3 GLN 100 lone 1 82 - 1 - HG3 GLN 62 - HB3 GLU 89 lone 1 96 - 1 - HG3 GLN 62 - HB2 GLU 89 lone 1 96 - 1 - HG2 GLN 62 - HB2 GLU 89 lone 1 95 - 1 - HG2 GLN 62 - HB3 GLU 89 lone 1 95 - 1 - HG2 GLU 91 - HB3 GLU 98 lone 1 53 - 1 - HB2 ASP 110 - HB2 GLU 66 lone 0 91 - 1 - HB2 ASP 110 - HB3 GLU 87 lone 1 64 - 1 - HG3 MET 67 - HB3 GLU 98 lone 0 48 - 1 - HG2 GLU 91 - HB3 GLN 85 lone 0 92 - 0 - HG2 GLU 91 - HB3 GLN 100 lone 0 71 - 1 - HG2 GLU 91 - HB2 GLU 66 lone 0 89 - 0 - HG3 MET 67 - HB3 GLU 87 lone 0 57 - 1 - HG3 GLN 62 - HB3 GLU 87 lone 0 70 - 0 - HG2 GLN 62 - HB3 GLU 87 lone 0 69 - 0 - HG2 GLN 122 - HB3 GLN 100 lone 0 82 - 0 - HG3 GLN 62 - HB3 GLN 100 lone 0 80 - 0 - HG2 GLN 62 - HB3 GLN 100 lone 0 78 - 0 - HB2 ASP 110 - HB3 GLN 100 lone 0 73 - 0 - HB2 ASP 110 - HB3 GLU 98 lone 0 55 - 0 - Peak 5666 from cnoeabs.peaks (2.40, 2.04, 29.33 ppm; 2.78 A): 3 out of 63 assignments used, quality = 1.00: * HG3 GLN 85 + HB3 GLN 85 OK 91 100 - 91 - 3.0=79, 5658/1.8=11...(23) HG2 GLN 85 + HB3 GLN 85 OK 91 100 - 91 - 3.0=79, 5658/1.8=11...(23) HG2 GLU 66 + HB2 GLU 66 OK 72 78 - 93 - 3.0=80, 1.8/4909=19...(18) HG3 GLN 62 - HB3 GLN 85 OK 16 97 - 16 - 5672=2, 5657/1.8=2...(5) HG3 MET 67 - HB2 GLU 66 OK 16 89 - 18 - 4941/4.1=4, 3.3/4951=2...(6) HG2 GLN 62 - HB3 GLN 85 OK 15 96 - 16 - 5672=2, 5657/1.8=2...(5) HG3 GLN 85 - HB2 GLU 66 lone 10 99 - 10 - 5680=1 HG2 GLN 85 - HB2 GLU 66 lone 10 99 - 10 - 5680=1 HG2 GLU 66 - HB3 GLU 89 lone 7 76 - 9 - 1.8/4909=2 HG2 GLU 66 - HB2 GLU 89 lone 7 76 - 9 - 1.8/4909=2 HG2 GLN 122 - HB2 GLU 66 lone 6 99 - 6 - 7933/4.1=1 HG3 GLN 85 - HB3 GLU 98 lone 5 63 - 8 - HG2 GLN 85 - HB3 GLU 98 lone 5 63 - 8 - HG2 GLU 66 - HB3 GLN 85 lone 4 81 - 5 - 1.8/4909=1 HG2 GLU 66 - HB3 GLU 87 lone 4 52 - 8 - 1.8/4909=2, 4904/1.8=2, ~4910=1 HG3 GLN 85 - HB2 GLU 89 lone 3 98 - 3 - HG3 GLN 85 - HB3 GLU 89 lone 3 98 - 3 - HB2 ASP 110 - HB3 GLN 85 lone 3 90 - 3 - 4.0/7738=1 HG2 GLN 85 - HB2 GLU 89 lone 3 98 - 3 - HG2 GLN 85 - HB3 GLU 89 lone 3 98 - 3 - HG3 MET 67 - HB3 GLN 100 lone 3 71 - 4 - 3.7/11121=1 HG2 GLN 122 - HB3 GLN 85 lone 2 100 - 2 - HG3 MET 67 - HB3 GLN 85 lone 2 92 - 2 - HG3 GLN 62 - HB2 GLU 66 lone 2 95 - 2 - HG2 GLN 62 - HB2 GLU 66 lone 2 93 - 2 - HG2 GLU 66 - HB3 GLU 98 lone 2 44 - 4 - 1.8/4909=1 HG2 GLU 91 - HB2 GLU 89 lone 1 83 - 2 - HG2 GLU 91 - HB3 GLU 89 lone 1 83 - 2 - HG3 GLN 85 - HB3 GLU 87 lone 1 73 - 2 - HG2 GLN 85 - HB3 GLU 87 lone 1 73 - 2 - HG2 GLN 122 - HB2 GLU 89 lone 1 98 - 1 - HG2 GLN 122 - HB3 GLU 89 lone 1 98 - 1 - HB2 ASP 110 - HB3 GLU 89 lone 1 85 - 1 - HB2 ASP 110 - HB2 GLU 89 lone 1 85 - 1 - HG2 GLU 66 - HB3 GLN 100 lone 1 60 - 2 - HG3 MET 67 - HB2 GLU 89 lone 1 88 - 1 - HG3 MET 67 - HB3 GLU 89 lone 1 88 - 1 - HG2 GLN 122 - HB3 GLU 98 lone 1 63 - 1 - HG2 GLU 91 - HB3 GLU 87 lone 1 57 - 1 - HG2 GLN 122 - HB3 GLU 87 lone 1 73 - 1 - HG3 GLN 62 - HB3 GLU 98 lone 1 58 - 1 - HG3 GLN 85 - HB3 GLN 100 lone 1 83 - 1 - HG2 GLN 62 - HB3 GLU 98 lone 1 56 - 1 - HG2 GLN 85 - HB3 GLN 100 lone 1 82 - 1 - HG3 GLN 62 - HB3 GLU 89 lone 1 94 - 1 - HG3 GLN 62 - HB2 GLU 89 lone 1 94 - 1 - HG2 GLN 62 - HB2 GLU 89 lone 1 92 - 1 - HG2 GLN 62 - HB3 GLU 89 lone 1 92 - 1 - HG2 GLU 91 - HB3 GLU 98 lone 1 48 - 1 - HG3 MET 67 - HB3 GLU 98 lone 1 53 - 1 - HB2 ASP 110 - HB2 GLU 66 lone 0 87 - 1 - HB2 ASP 110 - HB3 GLU 87 lone 0 59 - 1 - HG2 GLU 91 - HB3 GLN 85 lone 0 87 - 0 - HG2 GLU 91 - HB3 GLN 100 lone 0 65 - 1 - HG3 MET 67 - HB3 GLU 87 lone 0 62 - 1 - HG2 GLU 91 - HB2 GLU 66 lone 0 84 - 0 - HG3 GLN 62 - HB3 GLU 87 lone 0 67 - 0 - HG2 GLN 62 - HB3 GLU 87 lone 0 66 - 0 - HG2 GLN 122 - HB3 GLN 100 lone 0 82 - 0 - HG3 GLN 62 - HB3 GLN 100 lone 0 77 - 0 - HG2 GLN 62 - HB3 GLN 100 lone 0 75 - 0 - HB2 ASP 110 - HB3 GLN 100 lone 0 68 - 0 - HB2 ASP 110 - HB3 GLU 98 lone 0 51 - 0 - Peak 5669 from cnoeabs.peaks (8.62, 2.41, 33.72 ppm; 3.78 A): 2 out of 40 assignments used, quality = 0.97: * H GLN 85 + HG2 GLN 85 OK 82 100 - 82 - 5.0=43, 1563/3.0=23...(11) H GLN 85 + HG3 GLN 85 OK 82 100 - 82 - 5.0=43, 1563/3.0=23...(11) H GLN 85 - HG3 GLN 62 OK 26 97 - 26 - 1564=5, 1564/1.8=4...(12) H GLN 85 - HG2 GLN 62 OK 25 96 - 26 - 1564=5, 1564/1.8=4...(12) H ALA 124 - HG2 GLN 122 OK 11 55 - 20 - 4.6/780=6, 8307/3.9=6...(4) H THR 108 - HG2 GLN 85 lone 5 84 - 6 - 5653/3.0=2, 5661/3.0=2 H THR 108 - HG3 GLN 85 lone 5 83 - 6 - 5653/3.0=2, 5661/3.0=2 H GLN 85 - HG2 GLN 122 lone 4 84 - 4 - 8307/3.9=1 H ALA 124 - HG2 GLN 85 lone 4 73 - 5 - 4.6/780=2 H ALA 124 - HG3 GLN 85 lone 4 73 - 5 - 4.6/780=2 H ILE 71 - HG2 GLN 122 lone 2 45 - 5 - 4.0/11079=1, 8307/3.9=1 H LYS 94 - HG2 GLN 85 lone 2 90 - 2 - H LYS 94 - HG3 GLN 85 lone 2 89 - 2 - H LYS 94 - HG2 GLN 122 lone 1 69 - 2 - H ALA 124 - HG3 GLN 62 lone 1 68 - 2 - H LYS 49 - HG2 GLN 85 lone 1 92 - 1 - H LYS 49 - HG3 GLN 85 lone 1 91 - 1 - H ILE 71 - HG3 GLN 85 lone 1 61 - 2 - H ALA 124 - HG2 GLN 62 lone 1 66 - 2 - H ILE 71 - HG2 GLN 85 lone 1 61 - 2 - H THR 108 - HG2 GLN 122 lone 1 64 - 2 - H ASN 8 - HG2 GLN 85 lone 1 70 - 1 - H ASN 8 - HG3 GLN 85 lone 1 69 - 1 - H LYS 49 - HG2 GLN 122 lone 1 72 - 1 - H THR 108 - HG3 GLN 62 lone 1 78 - 1 - H THR 108 - HG2 GLN 62 lone 1 76 - 1 - H LEU 80 - HG2 GLN 85 lone 1 73 - 1 - H LEU 80 - HG3 GLN 85 lone 1 73 - 1 - H LEU 80 - HG2 GLN 122 lone 1 55 - 1 - H ASN 8 - HG3 GLN 62 lone 1 64 - 1 - H LYS 94 - HG3 GLN 62 lone 1 84 - 1 - H ASN 8 - HG2 GLN 62 lone 1 62 - 1 - H LYS 94 - HG2 GLN 62 lone 1 82 - 1 - H LYS 49 - HG3 GLN 62 lone 1 87 - 1 - H LYS 49 - HG2 GLN 62 lone 0 84 - 1 - H ILE 71 - HG3 GLN 62 lone 0 57 - 1 - H ILE 71 - HG2 GLN 62 lone 0 55 - 1 - H LEU 80 - HG3 GLN 62 lone 0 68 - 1 - H ASN 8 - HG2 GLN 122 lone 0 51 - 1 - H LEU 80 - HG2 GLN 62 lone 0 66 - 0 - Peak 5670 from cnoeabs.peaks (4.33, 2.41, 33.72 ppm; 3.65 A): 2 out of 30 assignments used, quality = 1.00: * HA GLN 85 + HG2 GLN 85 OK 97 100 - 97 - 3.9=83, 5650/1.8=13...(29) HA GLN 85 + HG3 GLN 85 OK 97 100 - 97 - 3.9=83, 5650/1.8=13...(29) HA GLN 85 - HG3 GLN 62 OK 29 97 - 29 - 5649=5, 5649/1.8=4...(12) HA GLN 85 - HG2 GLN 62 OK 28 96 - 29 - 5649=5, 5649/1.8=4...(12) HA GLU 98 - HG3 GLN 85 OK 11 100 - 11 - 11168/3.5=1, 2.9/5658=1 HA GLU 98 - HG2 GLN 85 OK 11 100 - 11 - 11168/3.5=1, 2.9/5657=1 HA GLU 98 - HG2 GLN 122 lone 3 83 - 3 - 10160/1.8=2 HA SER 99 - HG2 GLN 85 lone 2 94 - 2 - HA SER 99 - HG3 GLN 85 lone 2 93 - 2 - HA GLU 98 - HG3 GLN 62 lone 2 97 - 2 - HA GLU 98 - HG2 GLN 62 lone 2 95 - 2 - HA GLN 85 - HG2 GLN 122 lone 2 84 - 2 - HA PHE 93 - HG2 GLN 85 lone 1 98 - 1 - HA PHE 93 - HG3 GLN 85 lone 1 98 - 1 - HB THR 9 - HG3 GLN 62 lone 1 78 - 1 - HB THR 9 - HG2 GLN 62 lone 1 76 - 1 - HB THR 9 - HG2 GLN 85 lone 1 84 - 1 - HB THR 9 - HG3 GLN 85 lone 1 83 - 1 - HA LYS 49 - HG2 GLN 85 lone 1 73 - 1 - HA LYS 49 - HG3 GLN 85 lone 1 73 - 1 - HA SER 99 - HG3 GLN 62 lone 1 89 - 1 - HA PHE 93 - HG3 GLN 62 lone 1 94 - 1 - HA SER 99 - HG2 GLN 62 lone 1 87 - 1 - HA PHE 93 - HG2 GLN 62 lone 1 92 - 1 - HA PHE 93 - HG2 GLN 122 lone 0 80 - 1 - HB THR 9 - HG2 GLN 122 lone 0 64 - 1 - HA LYS 49 - HG3 GLN 62 lone 0 68 - 1 - HA LYS 49 - HG2 GLN 62 lone 0 66 - 1 - HA SER 99 - HG2 GLN 122 lone 0 74 - 0 - HA LYS 49 - HG2 GLN 122 lone 0 55 - 0 - Peak 5671 from cnoeabs.peaks (2.17, 2.41, 33.72 ppm; 2.73 A): 6 out of 40 assignments used, quality = 1.00: * HB2 GLN 85 + HG2 GLN 85 OK 89 100 - 89 - 3.0=76, 5658/1.8=11...(21) HB2 GLN 85 + HG3 GLN 85 OK 89 100 - 89 - 3.0=76, 5657/1.8=11...(21) HB2 GLN 62 + HG3 GLN 62 OK 77 94 - 82 - 3.0=76, 3.0/4674=6...(9) HB3 GLN 62 + HG3 GLN 62 OK 77 94 - 82 - 3.0=76, 3.0/4674=6...(9) HB3 GLN 62 + HG2 GLN 62 OK 75 92 - 82 - 3.0=76, 3.0/4674=6...(9) HB2 GLN 62 + HG2 GLN 62 OK 75 92 - 82 - 3.0=76, 3.0/4674=6...(9) HB2 GLN 85 - HG3 GLN 62 OK 15 97 - 15 - 5657=2, 5657/1.8=2...(5) HB2 GLN 85 - HG2 GLN 62 OK 15 96 - 15 - 5657=2, 5657/1.8=2...(5) HB3 GLN 62 - HG2 GLN 85 lone 9 98 - 10 - 3.0/4674=2, 4.0/1405=1 HB2 GLN 62 - HG2 GLN 85 lone 9 98 - 10 - 3.0/4674=2, 4.0/1405=1 HB2 GLN 62 - HG3 GLN 85 lone 9 98 - 10 - 3.0/4674=2, 4.0/1405=1 HB3 GLN 62 - HG3 GLN 85 lone 9 98 - 10 - 3.0/4674=2, 4.0/1405=1 HB2 GLU 98 - HG2 GLN 85 lone 8 98 - 8 - 5657=1 HB2 GLU 98 - HG3 GLN 85 lone 8 98 - 8 - 5658=1 HG3 GLU 66 - HG3 GLN 85 lone 5 80 - 6 - HG3 GLU 66 - HG2 GLN 85 lone 5 81 - 6 - HG3 GLU 66 - HG2 GLN 122 lone 2 61 - 3 - 11069/3.9=1 HB2 GLN 85 - HG2 GLN 122 lone 2 84 - 2 - HB2 GLU 98 - HG2 GLN 122 lone 1 80 - 1 - HB2 GLU 98 - HG3 GLN 62 lone 1 94 - 1 - HB2 GLU 98 - HG2 GLN 62 lone 1 92 - 1 - HB3 GLU 37 - HG2 GLN 85 lone 1 100 - 1 - HB3 GLU 37 - HG3 GLN 85 lone 1 100 - 1 - HG3 GLU 66 - HG3 GLN 62 lone 1 75 - 1 - HG3 GLU 66 - HG2 GLN 62 lone 1 73 - 1 - HB2 MET 42 - HG3 GLN 85 lone 1 65 - 1 - HB2 MET 42 - HG2 GLN 85 lone 1 65 - 1 - HB3 GLU 37 - HG3 GLN 62 lone 1 97 - 1 - HB3 GLU 37 - HG2 GLN 62 lone 1 95 - 1 - HB3 GLU 13 - HG2 GLN 85 lone 0 84 - 1 - HB3 GLU 13 - HG3 GLN 85 lone 0 83 - 1 - HB2 GLN 62 - HG2 GLN 122 lone 0 80 - 1 - HB3 GLN 62 - HG2 GLN 122 lone 0 80 - 1 - HB2 MET 42 - HG3 GLN 62 lone 0 61 - 1 - HB2 MET 42 - HG2 GLN 62 lone 0 58 - 1 - HB3 GLU 13 - HG3 GLN 62 lone 0 78 - 0 - HB3 GLU 13 - HG2 GLN 62 lone 0 76 - 0 - HB3 GLU 37 - HG2 GLN 122 lone 0 83 - 0 - HB2 MET 42 - HG2 GLN 122 lone 0 48 - 0 - HB3 GLU 13 - HG2 GLN 122 lone 0 64 - 0 - Peak 5672 from cnoeabs.peaks (2.04, 2.41, 33.72 ppm; 3.00 A): 2 out of 85 assignments used, quality = 1.00: * HB3 GLN 85 + HG2 GLN 85 OK 100 100 - 100 - 3.0=100 HB3 GLN 85 + HG3 GLN 85 OK 100 100 - 100 - 3.0=100 HB3 GLN 85 - HG3 GLN 62 OK 18 97 - 18 - 1.8/5657=2, 5665=2...(9) HB3 GLN 85 - HG2 GLN 62 OK 18 96 - 18 - 1.8/5657=2, 5665=2...(10) HB2 GLU 66 - HG3 GLN 85 OK 11 100 - 11 - 5665=1 HB2 GLU 66 - HG2 GLN 85 OK 11 100 - 11 - 5665=1 HB3 GLU 98 - HG2 GLN 85 lone 8 84 - 10 - 1.8/5657=1 HB3 GLU 98 - HG3 GLN 85 lone 8 83 - 10 - 1.8/5658=1 HB2 GLU 66 - HG2 GLN 122 lone 5 84 - 6 - HB2 GLU 89 - HG2 GLN 85 lone 4 100 - 4 - HB3 GLU 89 - HG2 GLN 85 lone 4 100 - 4 - HB2 GLU 89 - HG3 GLN 85 lone 4 100 - 4 - HB3 GLU 89 - HG3 GLN 85 lone 4 100 - 4 - HB3 MET 67 - HG3 GLN 85 lone 2 93 - 3 - HB3 MET 67 - HG2 GLN 85 lone 2 94 - 2 - HB2 GLU 66 - HG3 GLN 62 lone 2 97 - 2 - HB3 GLN 85 - HG2 GLN 122 lone 2 84 - 3 - HB2 GLU 66 - HG2 GLN 62 lone 2 96 - 2 - HB3 GLU 87 - HG2 GLN 85 lone 2 100 - 2 - HB3 GLU 87 - HG3 GLN 85 lone 2 100 - 2 - HB2 GLN 25 - HG2 GLN 85 lone 1 61 - 2 - HB3 MET 67 - HG2 GLN 122 lone 1 74 - 2 - HB2 GLN 25 - HG3 GLN 85 lone 1 61 - 2 - HB3 GLU 98 - HG3 GLN 62 lone 1 78 - 1 - HB2 GLU 89 - HG2 GLN 122 lone 1 84 - 1 - HB3 GLU 89 - HG2 GLN 122 lone 1 84 - 1 - HB2 GLU 92 - HG2 GLN 122 lone 1 64 - 2 - HB3 GLU 98 - HG2 GLN 62 lone 1 76 - 1 - HB3 GLU 98 - HG2 GLN 122 lone 1 64 - 2 - HB3 GLU 87 - HG2 GLN 122 lone 1 84 - 1 - HB3 GLN 100 - HG2 GLN 85 lone 1 96 - 1 - HB3 GLN 100 - HG3 GLN 85 lone 1 95 - 1 - HB3 GLU 111 - HG2 GLN 85 lone 1 70 - 1 - HB3 GLU 111 - HG3 GLN 85 lone 1 69 - 1 - HB3 GLU 89 - HG3 GLN 62 lone 1 97 - 1 - HB2 GLU 89 - HG3 GLN 62 lone 1 97 - 1 - HB2 GLN 25 - HG3 GLN 62 lone 1 57 - 1 - HB3 GLU 89 - HG2 GLN 62 lone 1 96 - 1 - HB2 GLU 89 - HG2 GLN 62 lone 1 96 - 1 - HB2 GLN 25 - HG2 GLN 62 lone 1 55 - 1 - HB2 GLU 92 - HG2 GLN 85 lone 1 84 - 1 - HB2 GLU 92 - HG3 GLN 85 lone 1 83 - 1 - HB VAL 117 - HG3 GLN 85 lone 1 96 - 1 - HB VAL 117 - HG2 GLN 85 lone 1 97 - 1 - HB3 MET 67 - HG3 GLN 62 lone 1 89 - 1 - HB3 MET 67 - HG2 GLN 62 lone 1 87 - 1 - HB3 GLU 87 - HG3 GLN 62 lone 1 97 - 1 - HB3 GLU 87 - HG2 GLN 62 lone 0 96 - 1 - HB VAL 117 - HG3 GLN 62 lone 0 93 - 0 - HB3 GLU 48 - HG3 GLN 85 lone 0 100 - 0 - HB2 GLU 48 - HG3 GLN 85 lone 0 100 - 0 - HB3 GLU 48 - HG2 GLN 85 lone 0 100 - 0 - HB2 GLU 48 - HG2 GLN 85 lone 0 100 - 0 - HB VAL 117 - HG2 GLN 62 lone 0 90 - 0 - HB2 MET 1 - HG2 GLN 85 lone 0 92 - 0 - HB2 MET 1 - HG3 GLN 85 lone 0 91 - 0 - HB2 GLN 25 - HG2 GLN 122 lone 0 45 - 1 - HB3 GLN 100 - HG2 GLN 122 lone 0 76 - 0 - HB3 GLN 100 - HG3 GLN 62 lone 0 91 - 0 - HG3 GLU 52 - HG3 GLN 85 lone 0 99 - 0 - HG3 GLU 52 - HG2 GLN 85 lone 0 99 - 0 - HB2 GLU 92 - HG3 GLN 62 lone 0 78 - 0 - HB3 GLN 100 - HG2 GLN 62 lone 0 89 - 0 - HB2 MET 1 - HG3 GLN 62 lone 0 87 - 0 - HB2 GLU 92 - HG2 GLN 62 lone 0 76 - 0 - HB3 GLU 48 - HG3 GLN 62 lone 0 97 - 0 - HB2 GLU 48 - HG3 GLN 62 lone 0 97 - 0 - HB2 MET 1 - HG2 GLN 62 lone 0 84 - 0 - HB3 GLU 48 - HG2 GLN 62 lone 0 96 - 0 - HB2 GLU 48 - HG2 GLN 62 lone 0 96 - 0 - HB3 GLU 111 - HG3 GLN 62 lone 0 64 - 0 - HB3 GLU 111 - HG2 GLN 62 lone 0 62 - 0 - HG3 GLU 52 - HG3 GLN 62 lone 0 96 - 0 - HB VAL 117 - HG2 GLN 122 lone 0 78 - 0 - HB3 GLU 48 - HG2 GLN 122 lone 0 84 - 0 - HB2 GLU 48 - HG2 GLN 122 lone 0 84 - 0 - HG3 GLU 52 - HG2 GLN 62 lone 0 94 - 0 - HB2 GLU 47 - HG2 GLN 85 lone 0 73 - 0 - HB2 GLU 47 - HG3 GLN 85 lone 0 73 - 0 - HB2 MET 1 - HG2 GLN 122 lone 0 72 - 0 - HG3 GLU 52 - HG2 GLN 122 lone 0 82 - 0 - HB3 GLU 111 - HG2 GLN 122 lone 0 51 - 0 - HB2 GLU 47 - HG3 GLN 62 lone 0 68 - 0 - HB2 GLU 47 - HG2 GLN 62 lone 0 66 - 0 - HB2 GLU 47 - HG2 GLN 122 lone 0 55 - 0 - Peak 5673 from cnoeabs.peaks (2.41, 2.41, 33.72 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG2 GLN 85 + HG2 GLN 85 OK 100 100 - 100 HG3 GLN 85 + HG3 GLN 85 OK 100 100 - 100 HG3 GLN 62 + HG3 GLN 62 OK 95 95 - 100 HG2 GLN 62 + HG2 GLN 62 OK 92 92 - 100 HG2 GLN 122 + HG2 GLN 122 OK 84 84 - 100 Peak 5674 from cnoeabs.peaks (2.40, 2.41, 33.72 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG2 GLN 85 + HG2 GLN 85 OK 100 100 - 100 HG3 GLN 85 + HG3 GLN 85 OK 100 100 - 100 HG3 GLN 62 + HG3 GLN 62 OK 93 93 - 100 HG2 GLN 62 + HG2 GLN 62 OK 89 89 - 100 HG2 GLN 122 + HG2 GLN 122 OK 84 84 - 100 Reference assignment not found: HG3 GLN 85 - HG2 GLN 85 Peak 5675 from cnoeabs.peaks (7.62, 2.41, 33.72 ppm; 3.69 A): 2 out of 2 assignments used, quality = 1.00: * HE21 GLN 85 + HG2 GLN 85 OK 100 100 - 100 - 3.5=100 HE21 GLN 85 + HG3 GLN 85 OK 100 100 - 100 - 3.5=100 Peak 5676 from cnoeabs.peaks (6.89, 2.41, 33.72 ppm; 4.07 A): 4 out of 4 assignments used, quality = 1.00: * HE22 GLN 85 + HG2 GLN 85 OK 100 100 - 100 - 3.5=100 HE22 GLN 85 + HG3 GLN 85 OK 100 100 - 100 - 3.5=100 HE22 GLN 62 + HG3 GLN 62 OK 95 95 - 100 - 3.5=100 HE22 GLN 62 + HG2 GLN 62 OK 93 93 - 100 - 3.5=100 Peak 5677 from cnoeabs.peaks (8.62, 2.40, 33.72 ppm; 3.78 A): 2 out of 40 assignments used, quality = 0.97: * H GLN 85 + HG3 GLN 85 OK 82 100 - 82 - 5.0=43, 1563/3.0=23...(11) H GLN 85 + HG2 GLN 85 OK 82 100 - 82 - 5.0=43, 1563/3.0=23...(11) H GLN 85 - HG3 GLN 62 OK 25 93 - 26 - 1564=5, 1564/1.8=4...(12) H GLN 85 - HG2 GLN 62 OK 24 90 - 26 - 1564=5, 1564/1.8=4...(12) H ALA 124 - HG2 GLN 122 OK 11 55 - 20 - 4.6/780=6, 8307/3.9=6...(4) H THR 108 - HG3 GLN 85 lone 5 84 - 6 - 5653/3.0=2, 5661/3.0=2 H THR 108 - HG2 GLN 85 lone 5 83 - 6 - 5653/3.0=2, 5661/3.0=2 H GLN 85 - HG2 GLN 122 lone 4 84 - 4 - 8307/3.9=1 H ALA 124 - HG3 GLN 85 lone 4 73 - 5 - 4.6/780=2 H ALA 124 - HG2 GLN 85 lone 4 73 - 5 - 4.6/780=2 H ILE 71 - HG2 GLN 122 lone 2 45 - 5 - 4.0/11079=1, 8307/3.9=1 H LYS 94 - HG3 GLN 85 lone 2 90 - 2 - H LYS 94 - HG2 GLN 85 lone 2 89 - 2 - H LYS 94 - HG2 GLN 122 lone 1 69 - 2 - H LYS 49 - HG3 GLN 85 lone 1 92 - 1 - H ILE 71 - HG3 GLN 85 lone 1 61 - 2 - H LYS 49 - HG2 GLN 85 lone 1 91 - 1 - H ALA 124 - HG3 GLN 62 lone 1 63 - 2 - H ILE 71 - HG2 GLN 85 lone 1 61 - 2 - H THR 108 - HG2 GLN 122 lone 1 64 - 2 - H ALA 124 - HG2 GLN 62 lone 1 60 - 2 - H ASN 8 - HG3 GLN 85 lone 1 70 - 1 - H ASN 8 - HG2 GLN 85 lone 1 69 - 1 - H LYS 49 - HG2 GLN 122 lone 1 72 - 1 - H THR 108 - HG3 GLN 62 lone 1 73 - 1 - H LEU 80 - HG3 GLN 85 lone 1 73 - 1 - H LEU 80 - HG2 GLN 85 lone 1 73 - 1 - H THR 108 - HG2 GLN 62 lone 1 70 - 1 - H LEU 80 - HG2 GLN 122 lone 1 55 - 1 - H ASN 8 - HG3 GLN 62 lone 1 60 - 1 - H LYS 94 - HG3 GLN 62 lone 1 79 - 1 - H ASN 8 - HG2 GLN 62 lone 1 57 - 1 - H LYS 94 - HG2 GLN 62 lone 1 76 - 1 - H LYS 49 - HG3 GLN 62 lone 0 82 - 1 - H LYS 49 - HG2 GLN 62 lone 0 78 - 1 - H ILE 71 - HG3 GLN 62 lone 0 52 - 1 - H ILE 71 - HG2 GLN 62 lone 0 50 - 1 - H LEU 80 - HG3 GLN 62 lone 0 63 - 1 - H ASN 8 - HG2 GLN 122 lone 0 51 - 1 - H LEU 80 - HG2 GLN 62 lone 0 60 - 0 - Peak 5678 from cnoeabs.peaks (4.33, 2.40, 33.72 ppm; 3.65 A): 2 out of 30 assignments used, quality = 1.00: * HA GLN 85 + HG3 GLN 85 OK 97 100 - 97 - 3.9=83, 5650/1.8=13...(29) HA GLN 85 + HG2 GLN 85 OK 97 100 - 97 - 3.9=83, 5650/1.8=13...(29) HA GLN 85 - HG3 GLN 62 OK 27 93 - 29 - 5649=5, 5649/1.8=4...(12) HA GLN 85 - HG2 GLN 62 OK 27 90 - 29 - 5649=5, 5649/1.8=4...(12) HA GLU 98 - HG3 GLN 85 OK 11 100 - 11 - 11168/3.5=1, 2.9/5658=1 HA GLU 98 - HG2 GLN 85 OK 11 100 - 11 - 11168/3.5=1, 2.9/5657=1 HA GLU 98 - HG2 GLN 122 lone 3 83 - 3 - 10160/1.8=2 HA SER 99 - HG3 GLN 85 lone 2 94 - 2 - HA SER 99 - HG2 GLN 85 lone 2 93 - 2 - HA GLU 98 - HG3 GLN 62 lone 2 93 - 2 - HA GLN 85 - HG2 GLN 122 lone 2 84 - 2 - HA GLU 98 - HG2 GLN 62 lone 2 90 - 2 - HA PHE 93 - HG3 GLN 85 lone 1 98 - 1 - HA PHE 93 - HG2 GLN 85 lone 1 98 - 1 - HB THR 9 - HG3 GLN 62 lone 1 73 - 1 - HB THR 9 - HG3 GLN 85 lone 1 84 - 1 - HB THR 9 - HG2 GLN 85 lone 1 83 - 1 - HB THR 9 - HG2 GLN 62 lone 1 70 - 1 - HA LYS 49 - HG3 GLN 85 lone 1 73 - 1 - HA LYS 49 - HG2 GLN 85 lone 1 73 - 1 - HA SER 99 - HG3 GLN 62 lone 1 84 - 1 - HA PHE 93 - HG3 GLN 62 lone 1 89 - 1 - HA SER 99 - HG2 GLN 62 lone 1 81 - 1 - HA PHE 93 - HG2 GLN 62 lone 0 86 - 1 - HA PHE 93 - HG2 GLN 122 lone 0 80 - 1 - HB THR 9 - HG2 GLN 122 lone 0 64 - 1 - HA LYS 49 - HG3 GLN 62 lone 0 63 - 1 - HA LYS 49 - HG2 GLN 62 lone 0 60 - 1 - HA SER 99 - HG2 GLN 122 lone 0 74 - 0 - HA LYS 49 - HG2 GLN 122 lone 0 55 - 0 - Peak 5679 from cnoeabs.peaks (2.17, 2.40, 33.72 ppm; 2.73 A): 6 out of 40 assignments used, quality = 1.00: * HB2 GLN 85 + HG3 GLN 85 OK 89 100 - 89 - 3.0=76, 5657/1.8=11...(21) HB2 GLN 85 + HG2 GLN 85 OK 89 100 - 89 - 3.0=76, 5658/1.8=11...(21) HB3 GLN 62 + HG3 GLN 62 OK 73 89 - 82 - 3.0=76, 3.0/4674=6...(9) HB2 GLN 62 + HG3 GLN 62 OK 73 89 - 82 - 3.0=76, 3.0/4674=6...(9) HB3 GLN 62 + HG2 GLN 62 OK 71 86 - 82 - 3.0=76, 3.0/4674=6...(9) HB2 GLN 62 + HG2 GLN 62 OK 71 86 - 82 - 3.0=76, 3.0/4674=6...(9) HB2 GLN 85 - HG3 GLN 62 OK 14 93 - 15 - 5657=2, 5657/1.8=2...(5) HB2 GLN 85 - HG2 GLN 62 OK 14 90 - 15 - 5657=2, 5657/1.8=2...(5) HB2 GLN 62 - HG3 GLN 85 lone 9 98 - 10 - 3.0/4674=1, 4.0/1405=1 HB3 GLN 62 - HG3 GLN 85 lone 9 98 - 10 - 3.0/4674=1, 4.0/1405=1 HB2 GLN 62 - HG2 GLN 85 lone 9 98 - 10 - 3.0/4674=1, 4.0/1405=1 HB3 GLN 62 - HG2 GLN 85 lone 9 98 - 10 - 3.0/4674=1, 4.0/1405=1 HB2 GLU 98 - HG3 GLN 85 lone 8 98 - 8 - 5658=1 HB2 GLU 98 - HG2 GLN 85 lone 8 98 - 8 - 5657=1 HG3 GLU 66 - HG3 GLN 85 lone 5 81 - 6 - HG3 GLU 66 - HG2 GLN 85 lone 5 80 - 6 - HG3 GLU 66 - HG2 GLN 122 lone 2 61 - 3 - 11069/3.9=1 HB2 GLN 85 - HG2 GLN 122 lone 2 84 - 2 - HB2 GLU 98 - HG2 GLN 122 lone 1 80 - 1 - HB2 GLU 98 - HG3 GLN 62 lone 1 89 - 1 - HB2 GLU 98 - HG2 GLN 62 lone 1 86 - 1 - HB3 GLU 37 - HG3 GLN 85 lone 1 100 - 1 - HB3 GLU 37 - HG2 GLN 85 lone 1 100 - 1 - HG3 GLU 66 - HG3 GLN 62 lone 1 70 - 1 - HG3 GLU 66 - HG2 GLN 62 lone 1 67 - 1 - HB2 MET 42 - HG3 GLN 85 lone 1 65 - 1 - HB2 MET 42 - HG2 GLN 85 lone 1 65 - 1 - HB3 GLU 37 - HG3 GLN 62 lone 1 93 - 1 - HB3 GLU 37 - HG2 GLN 62 lone 1 90 - 1 - HB3 GLU 13 - HG3 GLN 85 lone 0 84 - 1 - HB3 GLU 13 - HG2 GLN 85 lone 0 83 - 1 - HB2 GLN 62 - HG2 GLN 122 lone 0 80 - 1 - HB3 GLN 62 - HG2 GLN 122 lone 0 80 - 1 - HB2 MET 42 - HG3 GLN 62 lone 0 56 - 1 - HB2 MET 42 - HG2 GLN 62 lone 0 53 - 1 - HB3 GLU 13 - HG3 GLN 62 lone 0 73 - 0 - HB3 GLU 13 - HG2 GLN 62 lone 0 70 - 0 - HB3 GLU 37 - HG2 GLN 122 lone 0 83 - 0 - HB2 MET 42 - HG2 GLN 122 lone 0 48 - 0 - HB3 GLU 13 - HG2 GLN 122 lone 0 64 - 0 - Peak 5680 from cnoeabs.peaks (2.04, 2.40, 33.72 ppm; 3.00 A): 2 out of 85 assignments used, quality = 1.00: * HB3 GLN 85 + HG3 GLN 85 OK 100 100 - 100 - 3.0=100 HB3 GLN 85 + HG2 GLN 85 OK 100 100 - 100 - 3.0=100 HB3 GLN 85 - HG3 GLN 62 OK 17 93 - 18 - 1.8/5657=2, 5665=2...(9) HB3 GLN 85 - HG2 GLN 62 OK 17 90 - 18 - 1.8/5657=2, 5665=2...(10) HB2 GLU 66 - HG3 GLN 85 OK 11 100 - 11 - 5666=1, 1.8/4899=1 HB2 GLU 66 - HG2 GLN 85 OK 11 100 - 11 - 5665=1 HB3 GLU 98 - HG3 GLN 85 lone 8 84 - 10 - 1.8/5658=1 HB3 GLU 98 - HG2 GLN 85 lone 8 83 - 10 - 1.8/5657=1 HB2 GLU 66 - HG2 GLN 122 lone 5 84 - 6 - HB3 GLU 89 - HG2 GLN 85 lone 4 100 - 4 - HB2 GLU 89 - HG2 GLN 85 lone 4 100 - 4 - HB3 GLU 89 - HG3 GLN 85 lone 4 100 - 4 - HB2 GLU 89 - HG3 GLN 85 lone 4 100 - 4 - HB3 MET 67 - HG3 GLN 85 lone 3 94 - 3 - HB3 MET 67 - HG2 GLN 85 lone 2 93 - 3 - HB3 GLN 85 - HG2 GLN 122 lone 2 84 - 3 - HB2 GLU 66 - HG3 GLN 62 lone 2 93 - 2 - HB3 GLU 87 - HG3 GLN 85 lone 2 100 - 2 - HB3 GLU 87 - HG2 GLN 85 lone 2 100 - 2 - HB2 GLU 66 - HG2 GLN 62 lone 2 90 - 2 - HB3 MET 67 - HG2 GLN 122 lone 1 74 - 2 - HB2 GLN 25 - HG3 GLN 85 lone 1 61 - 2 - HB2 GLN 25 - HG2 GLN 85 lone 1 61 - 2 - HB3 GLU 89 - HG2 GLN 122 lone 1 84 - 1 - HB2 GLU 89 - HG2 GLN 122 lone 1 84 - 1 - HB2 GLU 92 - HG2 GLN 122 lone 1 64 - 2 - HB3 GLU 98 - HG3 GLN 62 lone 1 73 - 1 - HB3 GLU 98 - HG2 GLN 122 lone 1 64 - 2 - HB3 GLU 98 - HG2 GLN 62 lone 1 70 - 1 - HB3 GLN 100 - HG3 GLN 85 lone 1 96 - 1 - HB3 GLU 87 - HG2 GLN 122 lone 1 84 - 1 - HB3 GLN 100 - HG2 GLN 85 lone 1 95 - 1 - HB3 GLU 111 - HG2 GLN 85 lone 1 69 - 1 - HB3 GLU 111 - HG3 GLN 85 lone 1 70 - 1 - HB2 GLU 89 - HG3 GLN 62 lone 1 93 - 1 - HB3 GLU 89 - HG3 GLN 62 lone 1 93 - 1 - HB2 GLU 89 - HG2 GLN 62 lone 1 90 - 1 - HB3 GLU 89 - HG2 GLN 62 lone 1 90 - 1 - HB2 GLN 25 - HG3 GLN 62 lone 1 52 - 1 - HB2 GLU 92 - HG3 GLN 85 lone 1 84 - 1 - HB2 GLU 92 - HG2 GLN 85 lone 1 83 - 1 - HB2 GLN 25 - HG2 GLN 62 lone 1 50 - 1 - HB VAL 117 - HG3 GLN 85 lone 1 97 - 1 - HB VAL 117 - HG2 GLN 85 lone 1 96 - 1 - HB3 MET 67 - HG3 GLN 62 lone 1 84 - 1 - HB3 MET 67 - HG2 GLN 62 lone 1 81 - 1 - HB3 GLU 87 - HG3 GLN 62 lone 0 93 - 1 - HB3 GLU 87 - HG2 GLN 62 lone 0 90 - 1 - HB3 GLU 48 - HG3 GLN 85 lone 0 100 - 0 - HB2 GLU 48 - HG3 GLN 85 lone 0 100 - 0 - HB3 GLU 48 - HG2 GLN 85 lone 0 100 - 0 - HB2 GLU 48 - HG2 GLN 85 lone 0 100 - 0 - HB VAL 117 - HG3 GLN 62 lone 0 88 - 0 - HB2 MET 1 - HG3 GLN 85 lone 0 92 - 0 - HB2 MET 1 - HG2 GLN 85 lone 0 91 - 0 - HB VAL 117 - HG2 GLN 62 lone 0 85 - 0 - HB2 GLN 25 - HG2 GLN 122 lone 0 45 - 1 - HB3 GLN 100 - HG2 GLN 122 lone 0 76 - 0 - HG3 GLU 52 - HG3 GLN 85 lone 0 99 - 0 - HG3 GLU 52 - HG2 GLN 85 lone 0 99 - 0 - HB3 GLN 100 - HG3 GLN 62 lone 0 86 - 0 - HB2 GLU 92 - HG3 GLN 62 lone 0 73 - 0 - HB3 GLN 100 - HG2 GLN 62 lone 0 83 - 0 - HB3 GLU 48 - HG3 GLN 62 lone 0 93 - 0 - HB2 GLU 48 - HG3 GLN 62 lone 0 93 - 0 - HB2 MET 1 - HG3 GLN 62 lone 0 82 - 0 - HB2 GLU 92 - HG2 GLN 62 lone 0 70 - 0 - HB3 GLU 48 - HG2 GLN 62 lone 0 90 - 0 - HB2 GLU 48 - HG2 GLN 62 lone 0 90 - 0 - HB2 MET 1 - HG2 GLN 62 lone 0 78 - 0 - HB VAL 117 - HG2 GLN 122 lone 0 78 - 0 - HB2 GLU 48 - HG2 GLN 122 lone 0 84 - 0 - HB3 GLU 48 - HG2 GLN 122 lone 0 84 - 0 - HB3 GLU 111 - HG3 GLN 62 lone 0 60 - 0 - HG3 GLU 52 - HG3 GLN 62 lone 0 92 - 0 - HB2 GLU 47 - HG3 GLN 85 lone 0 73 - 0 - HG3 GLU 52 - HG2 GLN 62 lone 0 89 - 0 - HB2 GLU 47 - HG2 GLN 85 lone 0 73 - 0 - HB3 GLU 111 - HG2 GLN 62 lone 0 57 - 0 - HB2 MET 1 - HG2 GLN 122 lone 0 72 - 0 - HG3 GLU 52 - HG2 GLN 122 lone 0 82 - 0 - HB3 GLU 111 - HG2 GLN 122 lone 0 51 - 0 - HB2 GLU 47 - HG3 GLN 62 lone 0 63 - 0 - HB2 GLU 47 - HG2 GLN 62 lone 0 60 - 0 - HB2 GLU 47 - HG2 GLN 122 lone 0 55 - 0 - Peak 5681 from cnoeabs.peaks (2.41, 2.40, 33.72 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HG3 GLN 85 + HG3 GLN 85 OK 100 100 - 100 HG2 GLN 85 + HG2 GLN 85 OK 100 100 - 100 HG3 GLN 62 + HG3 GLN 62 OK 91 91 - 100 HG2 GLN 62 + HG2 GLN 62 OK 86 86 - 100 HG2 GLN 122 + HG2 GLN 122 OK 84 84 - 100 Reference assignment not found: HG2 GLN 85 - HG3 GLN 85 Peak 5682 from cnoeabs.peaks (2.40, 2.40, 33.72 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG3 GLN 85 + HG3 GLN 85 OK 100 100 - 100 HG2 GLN 85 + HG2 GLN 85 OK 100 100 - 100 HG3 GLN 62 + HG3 GLN 62 OK 88 88 - 100 HG2 GLN 122 + HG2 GLN 122 OK 84 84 - 100 HG2 GLN 62 + HG2 GLN 62 OK 83 83 - 100 Peak 5683 from cnoeabs.peaks (7.62, 2.40, 33.72 ppm; 3.69 A): 2 out of 2 assignments used, quality = 1.00: * HE21 GLN 85 + HG3 GLN 85 OK 100 100 - 100 - 3.5=100 HE21 GLN 85 + HG2 GLN 85 OK 100 100 - 100 - 3.5=100 Peak 5684 from cnoeabs.peaks (6.89, 2.40, 33.72 ppm; 4.07 A): 4 out of 4 assignments used, quality = 1.00: * HE22 GLN 85 + HG3 GLN 85 OK 100 100 - 100 - 3.5=100 HE22 GLN 85 + HG2 GLN 85 OK 100 100 - 100 - 3.5=100 HE22 GLN 62 + HG3 GLN 62 OK 91 91 - 100 - 3.5=100 HE22 GLN 62 + HG2 GLN 62 OK 87 87 - 100 - 3.5=100 Peak 5685 from cnoeabs.peaks (8.69, 4.68, 53.51 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 86 + HA ASP 86 OK 100 100 - 100 - 3.0=100 Peak 5686 from cnoeabs.peaks (4.68, 4.68, 53.51 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 86 + HA ASP 86 OK 100 100 - 100 Peak 5687 from cnoeabs.peaks (2.93, 4.68, 53.51 ppm; 3.35 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 86 + HA ASP 86 OK 100 100 - 100 - 3.0=100 Peak 5688 from cnoeabs.peaks (2.57, 4.68, 53.51 ppm; 3.32 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 86 + HA ASP 86 OK 100 100 - 100 - 3.0=100 Peak 5689 from cnoeabs.peaks (8.69, 2.93, 40.96 ppm; 3.90 A): 1 out of 3 assignments used, quality = 0.96: * H ASP 86 + HB2 ASP 86 OK 96 100 - 96 - 4.0=91, 1571/1.8=44...(4) H ASP 110 - HB2 ASP 86 lone 6 99 - 7 - 4.6/10037=4, 5693/1.8=1 H ARG 105 - HB2 ASP 86 lone 3 81 - 4 - 4.2/10234=2, 4.7/7742=1 Peak 5690 from cnoeabs.peaks (4.68, 2.93, 40.96 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 86 + HB2 ASP 86 OK 100 100 - 100 - 3.0=100 Peak 5691 from cnoeabs.peaks (2.93, 2.93, 40.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 86 + HB2 ASP 86 OK 100 100 - 100 Peak 5692 from cnoeabs.peaks (2.57, 2.93, 40.96 ppm; 2.90 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 86 + HB2 ASP 86 OK 100 100 - 100 - 1.8=100 Peak 5693 from cnoeabs.peaks (8.69, 2.57, 40.96 ppm; 3.86 A): 1 out of 3 assignments used, quality = 0.94: * H ASP 86 + HB3 ASP 86 OK 94 100 - 94 - 4.0=88, 1570/1.8=40...(4) H ASP 110 - HB3 ASP 86 lone 3 99 - 3 - 5689/1.8=2 H ARG 105 - HB3 ASP 86 lone 2 81 - 3 - 5689/1.8=1 Peak 5694 from cnoeabs.peaks (4.68, 2.57, 40.96 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 86 + HB3 ASP 86 OK 100 100 - 100 - 3.0=100 Peak 5695 from cnoeabs.peaks (2.93, 2.57, 40.96 ppm; 2.82 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 86 + HB3 ASP 86 OK 100 100 - 100 - 1.8=100 Peak 5696 from cnoeabs.peaks (2.57, 2.57, 40.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 86 + HB3 ASP 86 OK 100 100 - 100 Peak 5697 from cnoeabs.peaks (8.64, 4.04, 58.52 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 87 + HA GLU 87 OK 100 100 - 100 - 3.0=100 Peak 5698 from cnoeabs.peaks (4.04, 4.04, 58.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 87 + HA GLU 87 OK 100 100 - 100 Peak 5699 from cnoeabs.peaks (2.09, 4.04, 58.52 ppm; 3.25 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 87 + HA GLU 87 OK 100 100 - 100 - 3.0=100 Peak 5700 from cnoeabs.peaks (2.04, 4.04, 58.52 ppm; 3.24 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 87 + HA GLU 87 OK 100 100 - 100 - 3.0=100 Peak 5701 from cnoeabs.peaks (2.29, 4.04, 58.52 ppm; 3.55 A): 2 out of 8 assignments used, quality = 1.00: * HG2 GLU 87 + HA GLU 87 OK 97 100 - 97 - 4.0=70, 3.0/5704=28...(29) HG3 GLU 87 + HA GLU 87 OK 97 100 - 97 - 4.0=70, 3.0/5704=28...(29) HG2 GLU 111 - HA GLU 87 OK 12 96 - 13 - 1576/3.0=2, 5716=2...(6) HG3 GLU 89 - HA GLU 87 OK 12 73 - 16 - 5.2/2130=3, 1576/3.0=2...(6) HG3 GLU 91 - HA GLU 87 lone 5 96 - 5 - 553/3.6=3 HB2 MET 121 - HA GLU 87 lone 4 99 - 4 - 4.6/8164=2 HG2 GLU 47 - HA GLU 87 lone 3 100 - 3 - HG3 GLU 13 - HA GLU 87 lone 2 77 - 2 - Peak 5702 from cnoeabs.peaks (2.29, 4.04, 58.52 ppm; 3.55 A): 2 out of 8 assignments used, quality = 1.00: HG2 GLU 87 + HA GLU 87 OK 97 100 - 97 - 4.0=70, 3.0/5704=28...(29) * HG3 GLU 87 + HA GLU 87 OK 97 100 - 97 - 4.0=70, 3.0/5704=28...(29) HG2 GLU 111 - HA GLU 87 OK 12 96 - 13 - 1576/3.0=2, 5716=2...(6) HG3 GLU 89 - HA GLU 87 OK 12 73 - 16 - 5.2/2130=3, 1576/3.0=2...(6) HG3 GLU 91 - HA GLU 87 lone 5 96 - 5 - 553/3.6=3 HB2 MET 121 - HA GLU 87 lone 4 99 - 4 - 4.6/8164=2 HG2 GLU 47 - HA GLU 87 lone 3 100 - 3 - HG3 GLU 13 - HA GLU 87 lone 2 77 - 2 - Peak 5703 from cnoeabs.peaks (8.64, 2.09, 29.57 ppm; 3.86 A): 1 out of 3 assignments used, quality = 0.97: * H GLU 87 + HB2 GLU 87 OK 97 100 - 97 - 4.0=87, 3.0/5704=33...(11) H VAL 104 - HB2 GLU 87 OK 13 94 - 13 - 3.9/10056=3, 659=3...(6) H ASN 8 - HB2 GLU 87 lone 5 96 - 5 - 548/4.6=2, 5709/1.8=2 Peak 5704 from cnoeabs.peaks (4.04, 2.09, 29.57 ppm; 2.80 A): 1 out of 13 assignments used, quality = 0.92: * HA GLU 87 + HB2 GLU 87 OK 92 100 - 92 - 3.0=83, 3.0/1574=13...(22) HA GLU 66 - HB2 GLU 87 lone 8 94 - 9 - 4886=1, 3.7/4910=1...(4) HA GLU 92 - HB2 GLU 87 lone 2 100 - 2 - HA GLU 119 - HB2 GLU 87 lone 1 96 - 1 - HA PHE 120 - HB2 GLU 87 lone 1 84 - 1 - HA GLU 13 - HB2 GLU 87 lone 1 94 - 1 - HA SER 35 - HB2 GLU 87 lone 1 90 - 1 - HA LYS 123 - HB2 GLU 87 lone 1 92 - 1 - HA GLU 69 - HB2 GLU 87 lone 1 57 - 1 - HB3 SER 126 - HB2 GLU 87 lone 0 99 - 0 - HB2 SER 126 - HB2 GLU 87 lone 0 87 - 0 - HA LYS 40 - HB2 GLU 87 lone 0 84 - 0 - HA2 GLY 125 - HB2 GLU 87 lone 0 70 - 0 - Peak 5705 from cnoeabs.peaks (2.09, 2.09, 29.57 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 87 + HB2 GLU 87 OK 100 100 - 100 Peak 5706 from cnoeabs.peaks (2.04, 2.09, 29.57 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 87 + HB2 GLU 87 OK 100 100 - 100 - 1.8=100 Peak 5707 from cnoeabs.peaks (2.29, 2.09, 29.57 ppm; 2.68 A): 2 out of 8 assignments used, quality = 0.99: * HG2 GLU 87 + HB2 GLU 87 OK 89 100 - 89 - 3.0=71, 5714/1.8=14...(19) HG3 GLU 87 + HB2 GLU 87 OK 89 100 - 89 - 3.0=71, 5714/1.8=14...(19) HG2 GLU 111 - HB2 GLU 87 lone 6 96 - 7 - HG3 GLU 89 - HB2 GLU 87 lone 5 73 - 6 - HG2 GLU 47 - HB2 GLU 87 lone 3 100 - 3 - HG3 GLU 91 - HB2 GLU 87 lone 2 96 - 2 - 552/4.6=1 HB2 MET 121 - HB2 GLU 87 lone 1 99 - 1 - HG3 GLU 13 - HB2 GLU 87 lone 1 77 - 1 - Peak 5708 from cnoeabs.peaks (2.29, 2.09, 29.57 ppm; 2.68 A): 2 out of 8 assignments used, quality = 0.99: HG2 GLU 87 + HB2 GLU 87 OK 89 100 - 89 - 3.0=71, 5714/1.8=14...(19) * HG3 GLU 87 + HB2 GLU 87 OK 89 100 - 89 - 3.0=71, 5714/1.8=14...(19) HG2 GLU 111 - HB2 GLU 87 lone 6 96 - 7 - HG3 GLU 89 - HB2 GLU 87 lone 5 73 - 6 - HG2 GLU 47 - HB2 GLU 87 lone 3 100 - 3 - HG3 GLU 91 - HB2 GLU 87 lone 2 96 - 2 - 552/4.6=1 HB2 MET 121 - HB2 GLU 87 lone 1 99 - 1 - HG3 GLU 13 - HB2 GLU 87 lone 1 77 - 1 - Peak 5709 from cnoeabs.peaks (8.64, 2.04, 29.57 ppm; 3.37 A): 2 out of 9 assignments used, quality = 0.86: * H GLU 87 + HB3 GLU 87 OK 85 100 - 85 - 4.0=58, 1574/1.8=25...(14) H GLU 87 + HB3 GLN 85 OK 11 73 - 15 - 4.7/539=7, 1575=5...(4) H VAL 104 - HB3 GLU 87 lone 7 94 - 8 - 5703/1.8=3, 3.9/10055=1 H ASN 8 - HB3 GLU 87 lone 4 96 - 4 - 548/4.6=2, 5703/1.8=1 H VAL 104 - HB3 GLU 98 lone 3 50 - 6 - 3.9/11454=3, 3.9/10055=3 H VAL 104 - HB3 GLN 85 lone 1 64 - 2 - 3.9/10055=2 H GLU 87 - HB3 GLU 98 lone 1 59 - 2 - H ASN 8 - HB3 GLN 85 lone 0 66 - 1 - H ASN 8 - HB3 GLU 98 lone 0 52 - 0 - Peak 5710 from cnoeabs.peaks (4.04, 2.04, 29.57 ppm; 3.02 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 87 + HB3 GLU 87 OK 100 100 - 100 - 3.0=100 Peak 5711 from cnoeabs.peaks (2.09, 2.04, 29.57 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 87 + HB3 GLU 87 OK 100 100 - 100 - 1.8=100 Peak 5712 from cnoeabs.peaks (2.04, 2.04, 29.57 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HB3 GLU 87 + HB3 GLU 87 OK 100 100 - 100 HB3 GLN 85 + HB3 GLN 85 OK 73 73 - 100 HB3 GLU 98 - HB3 GLU 98 OK 43 43 - 100 Peak 5713 from cnoeabs.peaks (2.29, 2.04, 29.57 ppm; 2.65 A): 2 out of 24 assignments used, quality = 0.99: * HG2 GLU 87 + HB3 GLU 87 OK 88 100 - 88 - 3.0=68, 5708/1.8=14...(19) HG3 GLU 87 + HB3 GLU 87 OK 88 100 - 88 - 3.0=68, 5708/1.8=14...(19) HG2 GLU 111 - HB3 GLU 87 lone 6 96 - 6 - 5707/1.8=1 HG3 GLU 89 - HB3 GLU 87 lone 5 73 - 7 - HG2 GLU 47 - HB3 GLU 87 lone 3 100 - 3 - HG3 GLU 91 - HB3 GLU 87 lone 2 96 - 2 - 552/4.6=1 HG3 GLU 87 - HB3 GLN 85 lone 2 73 - 2 - HG2 GLU 87 - HB3 GLN 85 lone 2 73 - 2 - HG3 GLU 13 - HB3 GLU 98 lone 1 38 - 3 - HB2 MET 121 - HB3 GLU 87 lone 1 99 - 1 - HG3 GLU 13 - HB3 GLU 87 lone 1 77 - 1 - HG3 GLU 91 - HB3 GLU 98 lone 1 52 - 1 - HG3 GLU 89 - HB3 GLN 85 lone 0 46 - 1 - HG3 GLU 89 - HB3 GLU 98 lone 0 36 - 1 - HG2 GLU 111 - HB3 GLN 85 lone 0 66 - 1 - HG2 GLU 87 - HB3 GLU 98 lone 0 59 - 1 - HG3 GLU 87 - HB3 GLU 98 lone 0 59 - 1 - HG3 GLU 13 - HB3 GLN 85 lone 0 49 - 1 - HG3 GLU 91 - HB3 GLN 85 lone 0 66 - 0 - HG2 GLU 47 - HB3 GLN 85 lone 0 73 - 0 - HG2 GLU 47 - HB3 GLU 98 lone 0 59 - 0 - HB2 MET 121 - HB3 GLN 85 lone 0 70 - 0 - HG2 GLU 111 - HB3 GLU 98 lone 0 52 - 0 - HB2 MET 121 - HB3 GLU 98 lone 0 56 - 0 - Peak 5714 from cnoeabs.peaks (2.29, 2.04, 29.57 ppm; 2.65 A): 2 out of 24 assignments used, quality = 0.99: HG2 GLU 87 + HB3 GLU 87 OK 88 100 - 88 - 3.0=68, 5708/1.8=14...(19) * HG3 GLU 87 + HB3 GLU 87 OK 88 100 - 88 - 3.0=68, 5708/1.8=14...(19) HG2 GLU 111 - HB3 GLU 87 lone 6 96 - 6 - 5707/1.8=1 HG3 GLU 89 - HB3 GLU 87 lone 5 73 - 7 - HG2 GLU 47 - HB3 GLU 87 lone 3 100 - 3 - HG3 GLU 91 - HB3 GLU 87 lone 2 96 - 2 - 552/4.6=1 HG3 GLU 87 - HB3 GLN 85 lone 2 73 - 2 - HG2 GLU 87 - HB3 GLN 85 lone 2 73 - 2 - HG3 GLU 13 - HB3 GLU 98 lone 1 38 - 3 - HB2 MET 121 - HB3 GLU 87 lone 1 99 - 1 - HG3 GLU 13 - HB3 GLU 87 lone 1 77 - 1 - HG3 GLU 91 - HB3 GLU 98 lone 1 52 - 1 - HG3 GLU 89 - HB3 GLN 85 lone 0 46 - 1 - HG3 GLU 89 - HB3 GLU 98 lone 0 36 - 1 - HG2 GLU 111 - HB3 GLN 85 lone 0 66 - 1 - HG2 GLU 87 - HB3 GLU 98 lone 0 59 - 1 - HG3 GLU 87 - HB3 GLU 98 lone 0 59 - 1 - HG3 GLU 13 - HB3 GLN 85 lone 0 49 - 1 - HG3 GLU 91 - HB3 GLN 85 lone 0 66 - 0 - HG2 GLU 47 - HB3 GLN 85 lone 0 73 - 0 - HG2 GLU 47 - HB3 GLU 98 lone 0 59 - 0 - HB2 MET 121 - HB3 GLN 85 lone 0 70 - 0 - HG2 GLU 111 - HB3 GLU 98 lone 0 52 - 0 - HB2 MET 121 - HB3 GLU 98 lone 0 56 - 0 - Peak 5715 from cnoeabs.peaks (8.64, 2.29, 36.01 ppm; 3.87 A): 2 out of 12 assignments used, quality = 0.99: * H GLU 87 + HG2 GLU 87 OK 89 100 - 89 - 4.9=48, 5709/3.0=25...(13) H GLU 87 + HG3 GLU 87 OK 89 100 - 89 - 4.9=48, 5709/3.0=25...(13) H GLU 87 - HG2 GLU 111 OK 17 90 - 18 - 1576=4, 1574/3.0=3...(8) H VAL 104 - HG2 GLU 87 lone 8 94 - 9 - 5703/3.0=3, 5709/3.0=2...(4) H VAL 104 - HG3 GLU 87 lone 8 94 - 9 - 5703/3.0=3, 5709/3.0=2...(4) H ASN 8 - HG2 GLU 87 lone 5 96 - 5 - 548/5.0=2, 5703/3.0=1 H ASN 8 - HG3 GLU 87 lone 5 96 - 5 - 548/5.0=2, 5703/3.0=1 H GLU 87 - HG2 GLU 47 lone 3 68 - 4 - H VAL 104 - HG2 GLU 111 lone 1 81 - 2 - H ASN 8 - HG2 GLU 111 lone 1 83 - 1 - H VAL 104 - HG2 GLU 47 lone 0 59 - 1 - H ASN 8 - HG2 GLU 47 lone 0 61 - 1 - Peak 5716 from cnoeabs.peaks (4.04, 2.29, 36.01 ppm; 3.05 A): 2 out of 52 assignments used, quality = 0.98: HA GLU 87 + HG3 GLU 87 OK 88 100 - 88 - 4.0=45, 5704/3.0=22...(27) * HA GLU 87 + HG2 GLU 87 OK 88 100 - 88 - 4.0=45, 5704/3.0=22...(27) HA GLU 87 - HG2 GLU 111 lone 9 90 - 10 - 5701=2, 3.0/1577=2...(4) HA GLU 66 - HG3 GLU 87 lone 6 94 - 7 - 5704/3.0=2 HA GLU 66 - HG2 GLU 87 lone 6 94 - 7 - 5704/3.0=2 HA GLU 69 - HG2 GLU 111 lone 4 46 - 9 - ~5007=1, ~5017=1 HA GLU 92 - HG2 GLU 111 lone 4 89 - 4 - HA GLU 92 - HG2 GLU 87 lone 2 100 - 2 - HA GLU 92 - HG3 GLU 87 lone 2 100 - 2 - HA GLU 66 - HG2 GLU 111 lone 2 81 - 2 - HA GLU 87 - HG2 GLU 47 lone 2 68 - 2 - HA GLU 13 - HG3 GLU 87 lone 2 94 - 2 - HA GLU 13 - HG2 GLU 87 lone 2 94 - 2 - HA GLU 119 - HG3 GLU 87 lone 1 96 - 1 - HA GLU 119 - HG2 GLU 87 lone 1 96 - 1 - HA2 GLY 125 - HG2 GLU 47 lone 1 40 - 3 - ~11350=1 HA PHE 120 - HG2 GLU 87 lone 1 84 - 1 - HA PHE 120 - HG3 GLU 87 lone 1 84 - 1 - HA SER 35 - HG2 GLU 111 lone 1 76 - 1 - HA SER 35 - HG2 GLU 87 lone 1 90 - 1 - HA SER 35 - HG3 GLU 87 lone 1 90 - 1 - HA LYS 123 - HG2 GLU 87 lone 1 92 - 1 - HA LYS 123 - HG3 GLU 87 lone 1 92 - 1 - HA GLU 119 - HG2 GLU 111 lone 1 83 - 1 - HA GLU 92 - HG2 GLU 47 lone 1 67 - 1 - HA GLU 69 - HG2 GLU 47 lone 1 32 - 2 - HA GLU 69 - HG2 GLU 87 lone 1 57 - 1 - HA GLU 69 - HG3 GLU 87 lone 1 57 - 1 - HB3 SER 126 - HG2 GLU 87 lone 0 99 - 0 - HB3 SER 126 - HG3 GLU 87 lone 0 99 - 0 - HA PHE 120 - HG2 GLU 111 lone 0 70 - 1 - HA LYS 123 - HG2 GLU 111 lone 0 78 - 0 - HA GLU 13 - HG2 GLU 111 lone 0 81 - 0 - HA LYS 40 - HG3 GLU 87 lone 0 84 - 0 - HA LYS 40 - HG2 GLU 87 lone 0 84 - 0 - HB2 SER 126 - HG3 GLU 87 lone 0 87 - 0 - HB2 SER 126 - HG2 GLU 87 lone 0 87 - 0 - HA GLU 13 - HG2 GLU 47 lone 0 59 - 1 - HA SER 35 - HG2 GLU 47 lone 0 55 - 1 - HA LYS 123 - HG2 GLU 47 lone 0 57 - 1 - HB3 SER 126 - HG2 GLU 111 lone 0 87 - 0 - HA GLU 66 - HG2 GLU 47 lone 0 59 - 1 - HA GLU 119 - HG2 GLU 47 lone 0 61 - 0 - HA2 GLY 125 - HG2 GLU 87 lone 0 70 - 0 - HA2 GLY 125 - HG3 GLU 87 lone 0 70 - 0 - HA PHE 120 - HG2 GLU 47 lone 0 50 - 0 - HA LYS 40 - HG2 GLU 111 lone 0 70 - 0 - HB2 SER 126 - HG2 GLU 111 lone 0 73 - 0 - HA LYS 40 - HG2 GLU 47 lone 0 50 - 0 - HA2 GLY 125 - HG2 GLU 111 lone 0 57 - 0 - HB3 SER 126 - HG2 GLU 47 lone 0 65 - 0 - HB2 SER 126 - HG2 GLU 47 lone 0 53 - 0 - Peak 5717 from cnoeabs.peaks (2.09, 2.29, 36.01 ppm; 2.40 A): 3 out of 60 assignments used, quality = 0.97: * HB2 GLU 87 + HG2 GLU 87 OK 76 100 - 76 - 3.0=51, 5707/1.8=12...(15) HB2 GLU 87 + HG3 GLU 87 OK 76 100 - 76 - 3.0=51, 5707/1.8=12...(15) HB2 GLU 111 + HG2 GLU 111 OK 51 87 - 58 - 3.0=51, 3.0/6595=5...(6) HB3 GLU 47 - HG2 GLU 47 OK 25 42 - 58 - 3.0=51, 3.0/4042=8...(4) HB3 GLU 69 - HG2 GLU 111 lone 5 87 - 6 - 5013/1.8=1, ~5007=1, ~5017=1 HB2 GLU 112 - HG2 GLU 111 lone 5 78 - 6 - 4.0/707=3, 5013/1.8=1 HB2 GLU 87 - HG2 GLU 111 lone 4 90 - 5 - 5707=1 HB3 GLU 112 - HG2 GLU 111 lone 4 76 - 5 - 4.0/707=3 HB2 GLU 111 - HG2 GLU 87 lone 4 99 - 4 - HB2 GLU 111 - HG3 GLU 87 lone 4 99 - 4 - HB3 GLU 66 - HG3 GLU 87 lone 4 100 - 4 - HB3 GLU 66 - HG2 GLU 87 lone 4 100 - 4 - HB3 GLU 47 - HG3 GLU 87 lone 3 73 - 5 - 3.0/4042=2, 4.0/1306=1 HB3 GLU 47 - HG2 GLU 87 lone 3 73 - 5 - 3.0/4042=2, 4.0/1306=1 HB3 GLU 69 - HG2 GLU 47 lone 3 65 - 4 - ~11350=1 HB2 GLU 87 - HG2 GLU 47 lone 2 68 - 2 - HB3 GLU 66 - HG2 GLU 111 lone 1 90 - 1 - HB2 GLU 112 - HG3 GLU 87 lone 1 92 - 1 - HB2 GLU 112 - HG2 GLU 87 lone 1 92 - 1 - HB3 GLU 92 - HG2 GLU 111 lone 1 70 - 2 - HB3 GLU 112 - HG3 GLU 87 lone 1 90 - 1 - HB3 GLU 112 - HG2 GLU 87 lone 1 90 - 1 - HB2 GLU 103 - HG2 GLU 87 lone 1 97 - 1 - HB2 GLU 103 - HG3 GLU 87 lone 1 97 - 1 - HB3 GLU 92 - HG2 GLU 87 lone 1 84 - 1 - HB3 GLU 92 - HG3 GLU 87 lone 1 84 - 1 - HB3 MET 121 - HG3 GLU 87 lone 1 70 - 1 - HB3 MET 121 - HG2 GLU 87 lone 1 70 - 1 - HB3 GLU 69 - HG3 GLU 87 lone 1 99 - 1 - HB3 GLU 69 - HG2 GLU 87 lone 1 99 - 1 - HB3 PHE 79 - HG2 GLU 87 lone 1 61 - 1 - HB3 PHE 79 - HG3 GLU 87 lone 1 61 - 1 - HB3 GLU 47 - HG2 GLU 111 lone 0 60 - 1 - HB3 PHE 79 - HG2 GLU 111 lone 0 50 - 1 - HG2 GLU 119 - HG2 GLU 87 lone 0 65 - 1 - HG2 GLU 119 - HG3 GLU 87 lone 0 65 - 1 - HB2 GLU 103 - HG2 GLU 111 lone 0 85 - 0 - HB2 GLU 111 - HG2 GLU 47 lone 0 65 - 0 - HB3 MET 121 - HG2 GLU 111 lone 0 57 - 0 - HG2 GLU 119 - HG2 GLU 111 lone 0 53 - 0 - HB3 GLU 66 - HG2 GLU 47 lone 0 68 - 0 - HB3 MET 121 - HG2 GLU 47 lone 0 40 - 1 - HG2 GLU 52 - HG3 GLU 87 lone 0 98 - 0 - HG2 GLU 52 - HG2 GLU 87 lone 0 98 - 0 - HG3 GLU 21 - HG3 GLU 87 lone 0 92 - 0 - HG3 GLU 21 - HG2 GLU 87 lone 0 92 - 0 - HG2 GLU 21 - HG3 GLU 87 lone 0 87 - 0 - HG2 GLU 21 - HG2 GLU 87 lone 0 87 - 0 - HB2 GLU 112 - HG2 GLU 47 lone 0 57 - 0 - HG2 GLU 52 - HG2 GLU 111 lone 0 86 - 0 - HB3 GLU 92 - HG2 GLU 47 lone 0 50 - 0 - HB3 PHE 79 - HG2 GLU 47 lone 0 35 - 0 - HB3 GLU 112 - HG2 GLU 47 lone 0 55 - 0 - HG3 GLU 21 - HG2 GLU 111 lone 0 78 - 0 - HB2 GLU 103 - HG2 GLU 47 lone 0 62 - 0 - HG2 GLU 21 - HG2 GLU 111 lone 0 73 - 0 - HG2 GLU 52 - HG2 GLU 47 lone 0 64 - 0 - HG2 GLU 119 - HG2 GLU 47 lone 0 37 - 0 - HG3 GLU 21 - HG2 GLU 47 lone 0 57 - 0 - HG2 GLU 21 - HG2 GLU 47 lone 0 53 - 0 - Peak 5718 from cnoeabs.peaks (2.04, 2.29, 36.01 ppm; 2.48 A): 2 out of 68 assignments used, quality = 0.95: HB3 GLU 87 + HG3 GLU 87 OK 79 100 - 79 - 3.0=56, 1.8/5707=13...(15) * HB3 GLU 87 + HG2 GLU 87 OK 79 100 - 79 - 3.0=56, 1.8/5707=13...(15) HB3 GLU 111 - HG2 GLU 111 OK 36 57 - 63 - 3.0=56, 3.0/6595=6...(6) HB2 GLU 47 - HG2 GLU 47 OK 27 42 - 63 - 3.0=56, 3.0/4042=9...(4) HB2 GLU 89 - HG3 GLU 87 lone 8 100 - 8 - 551/5.0=1 HB2 GLU 89 - HG2 GLU 87 lone 8 100 - 8 - 551/5.0=1 HB3 GLU 89 - HG3 GLU 87 lone 8 100 - 8 - 551/5.0=1 HB3 GLU 89 - HG2 GLU 87 lone 8 100 - 8 - 551/5.0=1 HB3 GLU 87 - HG2 GLU 111 lone 5 90 - 5 - 5713=1 HB3 GLU 89 - HG2 GLU 111 lone 4 90 - 5 - HB2 GLU 89 - HG2 GLU 111 lone 4 90 - 5 - HB2 GLU 47 - HG2 GLU 87 lone 4 73 - 5 - 3.0/4042=2, 4.0/1306=1 HB2 GLU 47 - HG3 GLU 87 lone 4 73 - 5 - 3.0/4042=2, 4.0/1306=1 HB2 GLU 66 - HG3 GLU 87 lone 4 100 - 4 - HB2 GLU 66 - HG2 GLU 87 lone 4 100 - 4 - HB3 GLU 111 - HG3 GLU 87 lone 2 70 - 4 - HB3 GLU 111 - HG2 GLU 87 lone 2 70 - 4 - HB3 GLN 85 - HG3 GLU 87 lone 2 100 - 2 - HB3 GLN 85 - HG2 GLU 87 lone 2 100 - 2 - HB3 GLU 87 - HG2 GLU 47 lone 1 68 - 2 - HB2 GLU 92 - HG2 GLU 111 lone 1 70 - 2 - HB2 GLU 92 - HG2 GLU 87 lone 1 84 - 1 - HB2 GLU 92 - HG3 GLU 87 lone 1 84 - 1 - HB2 GLU 66 - HG2 GLU 111 lone 1 90 - 1 - HB VAL 117 - HG3 GLU 87 lone 1 97 - 1 - HB VAL 117 - HG2 GLU 87 lone 1 97 - 1 - HB3 GLN 85 - HG2 GLU 111 lone 1 90 - 1 - HB2 GLU 48 - HG2 GLU 47 lone 1 68 - 1 - HB3 GLU 48 - HG2 GLU 47 lone 1 68 - 1 - HB3 GLU 98 - HG2 GLU 87 lone 0 84 - 1 - HB3 GLU 98 - HG3 GLU 87 lone 0 84 - 1 - HB2 GLU 47 - HG2 GLU 111 lone 0 60 - 1 - HB3 GLU 89 - HG2 GLU 47 lone 0 68 - 1 - HB2 GLU 89 - HG2 GLU 47 lone 0 68 - 1 - HB3 GLN 100 - HG2 GLU 111 lone 0 83 - 0 - HB2 GLU 48 - HG2 GLU 87 lone 0 100 - 0 - HB3 GLU 48 - HG2 GLU 87 lone 0 100 - 0 - HB3 GLU 48 - HG3 GLU 87 lone 0 100 - 0 - HB2 GLU 48 - HG3 GLU 87 lone 0 100 - 0 - HB3 GLN 100 - HG2 GLU 87 lone 0 96 - 0 - HB3 GLN 100 - HG3 GLU 87 lone 0 96 - 0 - HB3 MET 67 - HG3 GLU 87 lone 0 94 - 0 - HB3 MET 67 - HG2 GLU 87 lone 0 94 - 0 - HB3 GLU 48 - HG2 GLU 111 lone 0 90 - 0 - HB2 GLU 48 - HG2 GLU 111 lone 0 90 - 0 - HG3 GLU 52 - HG2 GLU 87 lone 0 99 - 0 - HG3 GLU 52 - HG3 GLU 87 lone 0 99 - 0 - HB2 GLU 66 - HG2 GLU 47 lone 0 68 - 0 - HB2 MET 1 - HG3 GLU 87 lone 0 92 - 0 - HB2 MET 1 - HG2 GLU 87 lone 0 92 - 0 - HB VAL 117 - HG2 GLU 111 lone 0 85 - 0 - HB3 GLU 98 - HG2 GLU 111 lone 0 70 - 0 - HB3 GLN 85 - HG2 GLU 47 lone 0 68 - 0 - HB3 MET 67 - HG2 GLU 111 lone 0 81 - 0 - HB2 MET 1 - HG2 GLU 111 lone 0 78 - 0 - HB2 GLU 92 - HG2 GLU 47 lone 0 50 - 0 - HG3 GLU 52 - HG2 GLU 111 lone 0 89 - 0 - HB3 MET 67 - HG2 GLU 47 lone 0 59 - 0 - HB3 GLU 98 - HG2 GLU 47 lone 0 50 - 0 - HB3 GLU 111 - HG2 GLU 47 lone 0 40 - 0 - HB3 GLN 100 - HG2 GLU 47 lone 0 61 - 0 - HG3 GLU 52 - HG2 GLU 47 lone 0 66 - 0 - HB2 GLN 25 - HG2 GLU 111 lone 0 50 - 0 - HB2 GLN 25 - HG3 GLU 87 lone 0 61 - 0 - HB2 GLN 25 - HG2 GLU 87 lone 0 61 - 0 - HB VAL 117 - HG2 GLU 47 lone 0 62 - 0 - HB2 MET 1 - HG2 GLU 47 lone 0 57 - 0 - HB2 GLN 25 - HG2 GLU 47 lone 0 35 - 0 - Peak 5719 from cnoeabs.peaks (2.29, 2.29, 36.01 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG3 GLU 87 + HG3 GLU 87 OK 100 100 - 100 * HG2 GLU 87 + HG2 GLU 87 OK 100 100 - 100 HG2 GLU 111 + HG2 GLU 111 OK 83 83 - 100 HG2 GLU 47 + HG2 GLU 47 OK 68 68 - 100 Peak 5720 from cnoeabs.peaks (2.29, 2.29, 36.01 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG3 GLU 87 + HG3 GLU 87 OK 100 100 - 100 HG2 GLU 87 + HG2 GLU 87 OK 100 100 - 100 HG2 GLU 111 + HG2 GLU 111 OK 83 83 - 100 HG2 GLU 47 + HG2 GLU 47 OK 68 68 - 100 Reference assignment not found: HG3 GLU 87 - HG2 GLU 87 Peak 5721 from cnoeabs.peaks (8.64, 2.29, 36.01 ppm; 3.87 A): 2 out of 12 assignments used, quality = 0.99: H GLU 87 + HG2 GLU 87 OK 89 100 - 89 - 4.9=48, 5709/3.0=25...(13) * H GLU 87 + HG3 GLU 87 OK 89 100 - 89 - 4.9=48, 5709/3.0=25...(13) H GLU 87 - HG2 GLU 111 OK 17 90 - 18 - 1576=4, 1574/3.0=3...(8) H VAL 104 - HG2 GLU 87 lone 8 94 - 9 - 5703/3.0=3, 5709/3.0=2...(4) H VAL 104 - HG3 GLU 87 lone 8 94 - 9 - 5703/3.0=3, 5709/3.0=2...(4) H ASN 8 - HG2 GLU 87 lone 5 96 - 5 - 548/5.0=2, 5703/3.0=1 H ASN 8 - HG3 GLU 87 lone 5 96 - 5 - 548/5.0=2, 5703/3.0=1 H GLU 87 - HG2 GLU 47 lone 3 68 - 4 - H VAL 104 - HG2 GLU 111 lone 1 81 - 2 - H ASN 8 - HG2 GLU 111 lone 1 83 - 1 - H VAL 104 - HG2 GLU 47 lone 0 59 - 1 - H ASN 8 - HG2 GLU 47 lone 0 61 - 1 - Peak 5722 from cnoeabs.peaks (4.04, 2.29, 36.01 ppm; 3.05 A): 2 out of 52 assignments used, quality = 0.98: * HA GLU 87 + HG3 GLU 87 OK 88 100 - 88 - 4.0=45, 5704/3.0=22...(27) HA GLU 87 + HG2 GLU 87 OK 88 100 - 88 - 4.0=45, 5704/3.0=22...(27) HA GLU 87 - HG2 GLU 111 lone 9 90 - 10 - 5701=2, 3.0/1577=2...(4) HA GLU 66 - HG3 GLU 87 lone 6 94 - 7 - 5704/3.0=2 HA GLU 66 - HG2 GLU 87 lone 6 94 - 7 - 5704/3.0=2 HA GLU 69 - HG2 GLU 111 lone 4 46 - 9 - ~5007=1, ~5017=1 HA GLU 92 - HG2 GLU 111 lone 4 89 - 4 - HA GLU 92 - HG2 GLU 87 lone 2 100 - 2 - HA GLU 92 - HG3 GLU 87 lone 2 100 - 2 - HA GLU 66 - HG2 GLU 111 lone 2 81 - 2 - HA GLU 87 - HG2 GLU 47 lone 2 68 - 2 - HA GLU 13 - HG3 GLU 87 lone 2 94 - 2 - HA GLU 13 - HG2 GLU 87 lone 2 94 - 2 - HA GLU 119 - HG3 GLU 87 lone 1 96 - 1 - HA GLU 119 - HG2 GLU 87 lone 1 96 - 1 - HA2 GLY 125 - HG2 GLU 47 lone 1 40 - 3 - ~11350=1 HA PHE 120 - HG2 GLU 87 lone 1 84 - 1 - HA PHE 120 - HG3 GLU 87 lone 1 84 - 1 - HA SER 35 - HG2 GLU 111 lone 1 76 - 1 - HA SER 35 - HG2 GLU 87 lone 1 90 - 1 - HA SER 35 - HG3 GLU 87 lone 1 90 - 1 - HA LYS 123 - HG2 GLU 87 lone 1 92 - 1 - HA LYS 123 - HG3 GLU 87 lone 1 92 - 1 - HA GLU 119 - HG2 GLU 111 lone 1 83 - 1 - HA GLU 92 - HG2 GLU 47 lone 1 67 - 1 - HA GLU 69 - HG2 GLU 47 lone 1 32 - 2 - HA GLU 69 - HG2 GLU 87 lone 1 57 - 1 - HA GLU 69 - HG3 GLU 87 lone 1 57 - 1 - HB3 SER 126 - HG2 GLU 87 lone 0 99 - 0 - HB3 SER 126 - HG3 GLU 87 lone 0 99 - 0 - HA PHE 120 - HG2 GLU 111 lone 0 70 - 1 - HA LYS 123 - HG2 GLU 111 lone 0 78 - 0 - HA GLU 13 - HG2 GLU 111 lone 0 81 - 0 - HA LYS 40 - HG3 GLU 87 lone 0 84 - 0 - HA LYS 40 - HG2 GLU 87 lone 0 84 - 0 - HB2 SER 126 - HG3 GLU 87 lone 0 87 - 0 - HB2 SER 126 - HG2 GLU 87 lone 0 87 - 0 - HA GLU 13 - HG2 GLU 47 lone 0 59 - 1 - HA SER 35 - HG2 GLU 47 lone 0 55 - 1 - HA LYS 123 - HG2 GLU 47 lone 0 57 - 1 - HB3 SER 126 - HG2 GLU 111 lone 0 87 - 0 - HA GLU 66 - HG2 GLU 47 lone 0 59 - 1 - HA GLU 119 - HG2 GLU 47 lone 0 61 - 0 - HA2 GLY 125 - HG2 GLU 87 lone 0 70 - 0 - HA2 GLY 125 - HG3 GLU 87 lone 0 70 - 0 - HA PHE 120 - HG2 GLU 47 lone 0 50 - 0 - HA LYS 40 - HG2 GLU 111 lone 0 70 - 0 - HB2 SER 126 - HG2 GLU 111 lone 0 73 - 0 - HA LYS 40 - HG2 GLU 47 lone 0 50 - 0 - HA2 GLY 125 - HG2 GLU 111 lone 0 57 - 0 - HB3 SER 126 - HG2 GLU 47 lone 0 65 - 0 - HB2 SER 126 - HG2 GLU 47 lone 0 53 - 0 - Peak 5723 from cnoeabs.peaks (2.09, 2.29, 36.01 ppm; 2.40 A): 3 out of 60 assignments used, quality = 0.97: HB2 GLU 87 + HG2 GLU 87 OK 76 100 - 76 - 3.0=51, 5707/1.8=12...(15) * HB2 GLU 87 + HG3 GLU 87 OK 76 100 - 76 - 3.0=51, 5707/1.8=12...(15) HB2 GLU 111 + HG2 GLU 111 OK 51 87 - 58 - 3.0=51, 3.0/6595=5...(6) HB3 GLU 47 - HG2 GLU 47 OK 25 42 - 58 - 3.0=51, 3.0/4042=8...(4) HB3 GLU 69 - HG2 GLU 111 lone 5 87 - 6 - 5013/1.8=1, ~5007=1, ~5017=1 HB2 GLU 112 - HG2 GLU 111 lone 5 78 - 6 - 4.0/707=3, 5013/1.8=1 HB2 GLU 87 - HG2 GLU 111 lone 4 90 - 5 - 5707=1 HB3 GLU 112 - HG2 GLU 111 lone 4 76 - 5 - 4.0/707=3 HB2 GLU 111 - HG2 GLU 87 lone 4 99 - 4 - HB2 GLU 111 - HG3 GLU 87 lone 4 99 - 4 - HB3 GLU 66 - HG3 GLU 87 lone 4 100 - 4 - HB3 GLU 66 - HG2 GLU 87 lone 4 100 - 4 - HB3 GLU 47 - HG3 GLU 87 lone 3 73 - 5 - 3.0/4042=2, 4.0/1306=1 HB3 GLU 47 - HG2 GLU 87 lone 3 73 - 5 - 3.0/4042=2, 4.0/1306=1 HB3 GLU 69 - HG2 GLU 47 lone 3 65 - 4 - ~11350=1 HB2 GLU 87 - HG2 GLU 47 lone 2 68 - 2 - HB3 GLU 66 - HG2 GLU 111 lone 1 90 - 1 - HB2 GLU 112 - HG3 GLU 87 lone 1 92 - 1 - HB2 GLU 112 - HG2 GLU 87 lone 1 92 - 1 - HB3 GLU 92 - HG2 GLU 111 lone 1 70 - 2 - HB3 GLU 112 - HG3 GLU 87 lone 1 90 - 1 - HB3 GLU 112 - HG2 GLU 87 lone 1 90 - 1 - HB2 GLU 103 - HG2 GLU 87 lone 1 97 - 1 - HB2 GLU 103 - HG3 GLU 87 lone 1 97 - 1 - HB3 GLU 92 - HG2 GLU 87 lone 1 84 - 1 - HB3 GLU 92 - HG3 GLU 87 lone 1 84 - 1 - HB3 MET 121 - HG3 GLU 87 lone 1 70 - 1 - HB3 MET 121 - HG2 GLU 87 lone 1 70 - 1 - HB3 GLU 69 - HG3 GLU 87 lone 1 99 - 1 - HB3 GLU 69 - HG2 GLU 87 lone 1 99 - 1 - HB3 PHE 79 - HG2 GLU 87 lone 1 61 - 1 - HB3 PHE 79 - HG3 GLU 87 lone 1 61 - 1 - HB3 GLU 47 - HG2 GLU 111 lone 0 60 - 1 - HB3 PHE 79 - HG2 GLU 111 lone 0 50 - 1 - HG2 GLU 119 - HG2 GLU 87 lone 0 65 - 1 - HG2 GLU 119 - HG3 GLU 87 lone 0 65 - 1 - HB2 GLU 103 - HG2 GLU 111 lone 0 85 - 0 - HB2 GLU 111 - HG2 GLU 47 lone 0 65 - 0 - HB3 MET 121 - HG2 GLU 111 lone 0 57 - 0 - HG2 GLU 119 - HG2 GLU 111 lone 0 53 - 0 - HB3 GLU 66 - HG2 GLU 47 lone 0 68 - 0 - HB3 MET 121 - HG2 GLU 47 lone 0 40 - 1 - HG2 GLU 52 - HG3 GLU 87 lone 0 98 - 0 - HG2 GLU 52 - HG2 GLU 87 lone 0 98 - 0 - HG3 GLU 21 - HG3 GLU 87 lone 0 92 - 0 - HG3 GLU 21 - HG2 GLU 87 lone 0 92 - 0 - HG2 GLU 21 - HG3 GLU 87 lone 0 87 - 0 - HG2 GLU 21 - HG2 GLU 87 lone 0 87 - 0 - HB2 GLU 112 - HG2 GLU 47 lone 0 57 - 0 - HG2 GLU 52 - HG2 GLU 111 lone 0 86 - 0 - HB3 GLU 92 - HG2 GLU 47 lone 0 50 - 0 - HB3 PHE 79 - HG2 GLU 47 lone 0 35 - 0 - HB3 GLU 112 - HG2 GLU 47 lone 0 55 - 0 - HG3 GLU 21 - HG2 GLU 111 lone 0 78 - 0 - HB2 GLU 103 - HG2 GLU 47 lone 0 62 - 0 - HG2 GLU 21 - HG2 GLU 111 lone 0 73 - 0 - HG2 GLU 52 - HG2 GLU 47 lone 0 64 - 0 - HG2 GLU 119 - HG2 GLU 47 lone 0 37 - 0 - HG3 GLU 21 - HG2 GLU 47 lone 0 57 - 0 - HG2 GLU 21 - HG2 GLU 47 lone 0 53 - 0 - Peak 5724 from cnoeabs.peaks (2.04, 2.29, 36.01 ppm; 2.48 A): 2 out of 68 assignments used, quality = 0.95: * HB3 GLU 87 + HG3 GLU 87 OK 79 100 - 79 - 3.0=56, 1.8/5707=13...(15) HB3 GLU 87 + HG2 GLU 87 OK 79 100 - 79 - 3.0=56, 1.8/5707=13...(15) HB3 GLU 111 - HG2 GLU 111 OK 36 57 - 63 - 3.0=56, 3.0/6595=6...(6) HB2 GLU 47 - HG2 GLU 47 OK 27 42 - 63 - 3.0=56, 3.0/4042=9...(4) HB2 GLU 89 - HG3 GLU 87 lone 8 100 - 8 - 551/5.0=1 HB2 GLU 89 - HG2 GLU 87 lone 8 100 - 8 - 551/5.0=1 HB3 GLU 89 - HG3 GLU 87 lone 8 100 - 8 - 551/5.0=1 HB3 GLU 89 - HG2 GLU 87 lone 8 100 - 8 - 551/5.0=1 HB3 GLU 87 - HG2 GLU 111 lone 5 90 - 5 - 5713=1 HB3 GLU 89 - HG2 GLU 111 lone 4 90 - 5 - HB2 GLU 89 - HG2 GLU 111 lone 4 90 - 5 - HB2 GLU 47 - HG2 GLU 87 lone 4 73 - 5 - 3.0/4042=2, 4.0/1306=1 HB2 GLU 47 - HG3 GLU 87 lone 4 73 - 5 - 3.0/4042=2, 4.0/1306=1 HB2 GLU 66 - HG3 GLU 87 lone 4 100 - 4 - HB2 GLU 66 - HG2 GLU 87 lone 4 100 - 4 - HB3 GLU 111 - HG3 GLU 87 lone 2 70 - 4 - HB3 GLU 111 - HG2 GLU 87 lone 2 70 - 4 - HB3 GLN 85 - HG3 GLU 87 lone 2 100 - 2 - HB3 GLN 85 - HG2 GLU 87 lone 2 100 - 2 - HB3 GLU 87 - HG2 GLU 47 lone 1 68 - 2 - HB2 GLU 92 - HG2 GLU 111 lone 1 70 - 2 - HB2 GLU 92 - HG2 GLU 87 lone 1 84 - 1 - HB2 GLU 92 - HG3 GLU 87 lone 1 84 - 1 - HB2 GLU 66 - HG2 GLU 111 lone 1 90 - 1 - HB VAL 117 - HG3 GLU 87 lone 1 97 - 1 - HB VAL 117 - HG2 GLU 87 lone 1 97 - 1 - HB3 GLN 85 - HG2 GLU 111 lone 1 90 - 1 - HB2 GLU 48 - HG2 GLU 47 lone 1 68 - 1 - HB3 GLU 48 - HG2 GLU 47 lone 1 68 - 1 - HB3 GLU 98 - HG2 GLU 87 lone 0 84 - 1 - HB3 GLU 98 - HG3 GLU 87 lone 0 84 - 1 - HB2 GLU 47 - HG2 GLU 111 lone 0 60 - 1 - HB3 GLU 89 - HG2 GLU 47 lone 0 68 - 1 - HB2 GLU 89 - HG2 GLU 47 lone 0 68 - 1 - HB3 GLN 100 - HG2 GLU 111 lone 0 83 - 0 - HB2 GLU 48 - HG2 GLU 87 lone 0 100 - 0 - HB3 GLU 48 - HG2 GLU 87 lone 0 100 - 0 - HB3 GLU 48 - HG3 GLU 87 lone 0 100 - 0 - HB2 GLU 48 - HG3 GLU 87 lone 0 100 - 0 - HB3 GLN 100 - HG2 GLU 87 lone 0 96 - 0 - HB3 GLN 100 - HG3 GLU 87 lone 0 96 - 0 - HB3 MET 67 - HG3 GLU 87 lone 0 94 - 0 - HB3 MET 67 - HG2 GLU 87 lone 0 94 - 0 - HB3 GLU 48 - HG2 GLU 111 lone 0 90 - 0 - HB2 GLU 48 - HG2 GLU 111 lone 0 90 - 0 - HG3 GLU 52 - HG2 GLU 87 lone 0 99 - 0 - HG3 GLU 52 - HG3 GLU 87 lone 0 99 - 0 - HB2 GLU 66 - HG2 GLU 47 lone 0 68 - 0 - HB2 MET 1 - HG3 GLU 87 lone 0 92 - 0 - HB2 MET 1 - HG2 GLU 87 lone 0 92 - 0 - HB VAL 117 - HG2 GLU 111 lone 0 85 - 0 - HB3 GLU 98 - HG2 GLU 111 lone 0 70 - 0 - HB3 GLN 85 - HG2 GLU 47 lone 0 68 - 0 - HB3 MET 67 - HG2 GLU 111 lone 0 81 - 0 - HB2 MET 1 - HG2 GLU 111 lone 0 78 - 0 - HB2 GLU 92 - HG2 GLU 47 lone 0 50 - 0 - HG3 GLU 52 - HG2 GLU 111 lone 0 89 - 0 - HB3 MET 67 - HG2 GLU 47 lone 0 59 - 0 - HB3 GLU 98 - HG2 GLU 47 lone 0 50 - 0 - HB3 GLU 111 - HG2 GLU 47 lone 0 40 - 0 - HB3 GLN 100 - HG2 GLU 47 lone 0 61 - 0 - HG3 GLU 52 - HG2 GLU 47 lone 0 66 - 0 - HB2 GLN 25 - HG2 GLU 111 lone 0 50 - 0 - HB2 GLN 25 - HG3 GLU 87 lone 0 61 - 0 - HB2 GLN 25 - HG2 GLU 87 lone 0 61 - 0 - HB VAL 117 - HG2 GLU 47 lone 0 62 - 0 - HB2 MET 1 - HG2 GLU 47 lone 0 57 - 0 - HB2 GLN 25 - HG2 GLU 47 lone 0 35 - 0 - Peak 5725 from cnoeabs.peaks (2.29, 2.29, 36.01 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HG3 GLU 87 + HG3 GLU 87 OK 100 100 - 100 HG2 GLU 87 + HG2 GLU 87 OK 100 100 - 100 HG2 GLU 111 + HG2 GLU 111 OK 83 83 - 100 HG2 GLU 47 + HG2 GLU 47 OK 68 68 - 100 Reference assignment not found: HG2 GLU 87 - HG3 GLU 87 Peak 5726 from cnoeabs.peaks (2.29, 2.29, 36.01 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HG3 GLU 87 + HG3 GLU 87 OK 100 100 - 100 HG2 GLU 87 + HG2 GLU 87 OK 100 100 - 100 HG2 GLU 111 + HG2 GLU 111 OK 83 83 - 100 HG2 GLU 47 + HG2 GLU 47 OK 68 68 - 100 Peak 5727 from cnoeabs.peaks (8.53, 4.56, 55.64 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 88 + HA ASN 88 OK 100 100 - 100 - 2.9=100 Peak 5728 from cnoeabs.peaks (4.56, 4.56, 55.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASN 88 + HA ASN 88 OK 100 100 - 100 Peak 5729 from cnoeabs.peaks (2.85, 4.56, 55.64 ppm; 3.14 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 88 + HA ASN 88 OK 100 100 - 100 - 3.0=100 Peak 5730 from cnoeabs.peaks (2.90, 4.56, 55.64 ppm; 3.22 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 88 + HA ASN 88 OK 100 100 - 100 - 3.0=100 Peak 5733 from cnoeabs.peaks (8.53, 2.85, 38.17 ppm; 3.80 A): 1 out of 6 assignments used, quality = 0.94: * H ASN 88 + HB2 ASN 88 OK 94 100 - 94 - 4.0=84, 1581/1.8=37...(7) H LYS 19 - HB2 ASN 88 lone 4 99 - 4 - 5739/1.8=1 H ASN 88 - HB3 TYR 76 lone 2 81 - 2 - 1580=1 H ILE 57 - HB2 ASN 88 lone 1 81 - 2 - H ILE 57 - HB3 TYR 76 lone 1 58 - 1 - H LYS 19 - HB3 TYR 76 lone 1 78 - 1 - Peak 5734 from cnoeabs.peaks (4.56, 2.85, 38.17 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 88 + HB2 ASN 88 OK 100 100 - 100 - 3.0=100 Peak 5735 from cnoeabs.peaks (2.85, 2.85, 38.17 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 ASN 88 + HB2 ASN 88 OK 100 100 - 100 HB3 TYR 76 + HB3 TYR 76 OK 81 81 - 100 Peak 5736 from cnoeabs.peaks (2.90, 2.85, 38.17 ppm; 2.45 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 88 + HB2 ASN 88 OK 100 100 - 100 - 1.8=100 Peak 5737 from cnoeabs.peaks (7.89, 2.85, 38.17 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 88 + HB2 ASN 88 OK 100 100 - 100 - 3.5=100 Peak 5738 from cnoeabs.peaks (7.03, 2.85, 38.17 ppm; 5.03 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 88 + HB2 ASN 88 OK 100 100 - 100 - 3.5=100 Peak 5739 from cnoeabs.peaks (8.53, 2.90, 38.17 ppm; 3.91 A): 1 out of 3 assignments used, quality = 0.97: * H ASN 88 + HB3 ASN 88 OK 97 100 - 97 - 4.0=91, 1580/1.8=42...(5) H LYS 19 - HB3 ASN 88 lone 4 99 - 4 - 5733/1.8=1 H ILE 57 - HB3 ASN 88 lone 1 81 - 2 - Peak 5740 from cnoeabs.peaks (4.56, 2.90, 38.17 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HA ASN 88 + HB3 ASN 88 OK 100 100 - 100 - 3.0=100 Peak 5741 from cnoeabs.peaks (2.85, 2.90, 38.17 ppm; 2.41 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASN 88 + HB3 ASN 88 OK 100 100 - 100 - 1.8=100 Peak 5742 from cnoeabs.peaks (2.90, 2.90, 38.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASN 88 + HB3 ASN 88 OK 100 100 - 100 Peak 5743 from cnoeabs.peaks (7.89, 2.90, 38.17 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: * HD21 ASN 88 + HB3 ASN 88 OK 100 100 - 100 - 3.5=100 Peak 5744 from cnoeabs.peaks (7.03, 2.90, 38.17 ppm; 5.58 A): 1 out of 1 assignment used, quality = 1.00: * HD22 ASN 88 + HB3 ASN 88 OK 100 100 - 100 - 3.5=100 Peak 5745 from cnoeabs.peaks (8.22, 4.15, 58.25 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 89 + HA GLU 89 OK 100 100 - 100 - 3.0=100 Peak 5746 from cnoeabs.peaks (4.15, 4.15, 58.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 89 + HA GLU 89 OK 100 100 - 100 Peak 5747 from cnoeabs.peaks (2.04, 4.15, 58.25 ppm; 2.96 A): 2 out of 17 assignments used, quality = 1.00: HB3 GLU 89 + HA GLU 89 OK 98 100 - 98 - 3.0=95, 3.0/5749=11...(26) * HB2 GLU 89 + HA GLU 89 OK 98 100 - 98 - 3.0=95, 3.0/5749=11...(26) HB2 GLU 92 - HA GLU 89 OK 43 84 - 51 - 8180=11, 1.8/8182=9...(17) HB3 GLU 87 - HA GLU 89 OK 14 100 - 15 - 1587/3.0=3, 1.8/8181=2...(6) HB2 GLU 66 - HA GLU 89 OK 12 100 - 12 - 1.8/8181=2, 5752=2...(5) HB3 GLU 111 - HA GLU 89 OK 11 70 - 16 - 1.8/8181=3, 3.0/5749=3...(5) HB3 GLU 98 - HA GLU 89 lone 5 84 - 6 - 1.8/8220=1, 4.3/2179=1 HB3 GLN 85 - HA GLU 89 lone 3 100 - 3 - HB3 GLN 100 - HA GLU 89 lone 2 96 - 2 - HB3 GLU 48 - HA GLU 89 lone 1 100 - 1 - HB2 GLU 48 - HA GLU 89 lone 1 100 - 1 - HB2 GLU 47 - HA GLU 89 lone 1 73 - 2 - HB3 MET 67 - HA GLU 89 lone 1 94 - 1 - HB VAL 117 - HA GLU 89 lone 0 97 - 0 - HG3 GLU 52 - HA GLU 89 lone 0 99 - 0 - HB2 GLN 25 - HA GLU 89 lone 0 61 - 1 - HB2 MET 1 - HA GLU 89 lone 0 92 - 0 - Peak 5748 from cnoeabs.peaks (2.04, 4.15, 58.25 ppm; 2.96 A): 2 out of 17 assignments used, quality = 1.00: * HB3 GLU 89 + HA GLU 89 OK 98 100 - 98 - 3.0=95, 3.0/5749=11...(26) HB2 GLU 89 + HA GLU 89 OK 98 100 - 98 - 3.0=95, 3.0/5749=11...(26) HB2 GLU 92 - HA GLU 89 OK 43 84 - 51 - 8180=11, 1.8/8182=9...(17) HB3 GLU 87 - HA GLU 89 OK 14 100 - 15 - 1587/3.0=3, 1.8/8181=2...(6) HB2 GLU 66 - HA GLU 89 OK 12 100 - 12 - 1.8/8181=2, 5752=2...(5) HB3 GLU 111 - HA GLU 89 OK 11 70 - 16 - 1.8/8181=3, 3.0/5749=3...(5) HB3 GLU 98 - HA GLU 89 lone 5 84 - 6 - 1.8/8220=1, 4.3/2179=1 HB3 GLN 85 - HA GLU 89 lone 3 100 - 3 - HB3 GLN 100 - HA GLU 89 lone 2 96 - 2 - HB3 GLU 48 - HA GLU 89 lone 1 100 - 1 - HB2 GLU 48 - HA GLU 89 lone 1 100 - 1 - HB2 GLU 47 - HA GLU 89 lone 1 73 - 2 - HB3 MET 67 - HA GLU 89 lone 1 94 - 1 - HB VAL 117 - HA GLU 89 lone 0 97 - 0 - HG3 GLU 52 - HA GLU 89 lone 0 99 - 0 - HB2 GLN 25 - HA GLU 89 lone 0 61 - 1 - HB2 MET 1 - HA GLU 89 lone 0 92 - 0 - Peak 5749 from cnoeabs.peaks (2.26, 4.15, 58.25 ppm; 3.02 A): 3 out of 7 assignments used, quality = 0.90: * HG2 GLU 89 + HA GLU 89 OK 77 100 - 77 - 3.8=51, 1.8/5750=12...(21) HG3 GLU 92 + HA GLU 89 OK 48 100 - 49 - 3.0/8180=9, 1.8/5750=8...(13) HG3 GLU 111 + HA GLU 89 OK 18 98 - 18 - 5764=3, 3.0/8181=3...(9) HG2 GLU 103 - HA GLU 89 lone 4 97 - 4 - HG2 GLU 69 - HA GLU 89 lone 3 92 - 3 - HB2 GLU 37 - HA GLU 89 lone 3 98 - 3 - HB3 ASN 8 - HA GLU 89 lone 2 92 - 2 - Peak 5750 from cnoeabs.peaks (2.31, 4.15, 58.25 ppm; 3.60 A): 2 out of 8 assignments used, quality = 0.99: * HG3 GLU 89 + HA GLU 89 OK 96 100 - 96 - 3.8=86, 1.8/5749=22...(23) HG2 GLU 92 + HA GLU 89 OK 61 99 - 62 - 1.8/5749=14, 3.0/8180=13...(20) HG3 GLU 87 - HA GLU 89 OK 16 73 - 21 - 1589/3.0=3, 3.0/8181=3...(9) HG2 GLU 87 - HA GLU 89 OK 16 73 - 21 - 1589/3.0=3, 3.0/8181=3...(9) HG3 GLU 13 - HA GLU 89 lone 5 100 - 5 - HG3 GLU 103 - HA GLU 89 lone 5 87 - 5 - 1.8/5749=1 HG3 GLU 48 - HA GLU 89 lone 3 96 - 3 - HG2 GLU 47 - HA GLU 89 lone 2 73 - 2 - Peak 5751 from cnoeabs.peaks (8.22, 2.04, 29.24 ppm; 3.31 A): 2 out of 36 assignments used, quality = 0.97: * H GLU 89 + HB2 GLU 89 OK 83 100 - 83 - 4.0=55, 1587/1.8=12...(17) H GLU 89 + HB3 GLU 89 OK 83 100 - 83 - 4.0=55, 1587/1.8=12...(17) H GLU 89 - HB2 GLU 66 OK 11 100 - 11 - 1586=2, 3.0/5747=1, ~8181=1 H ASP 84 - HB3 GLN 85 poor 8 69 - 12 - 4.6/1563=10 H GLU 111 - HB3 GLU 89 lone 7 96 - 8 - 1730/1.8=1, 1732/3.0=1, 1730=1 H GLU 111 - HB2 GLU 89 lone 7 96 - 8 - 1730/1.8=1, 1732/3.0=1, 1730=1 H GLU 111 - HB3 GLN 85 lone 6 92 - 7 - 699/4.6=1, 4.6/7738=1, 701/3.0=1 H GLU 112 - HB3 GLU 89 lone 5 84 - 5 - H GLU 112 - HB2 GLU 89 lone 5 84 - 5 - H LEU 38 - HB2 GLU 66 lone 4 65 - 7 - 4.4/11060=3, 2030/4.1=2 H GLU 89 - HB3 GLN 85 lone 3 98 - 3 - H GLU 112 - HB3 GLN 85 lone 2 80 - 3 - H GLU 112 - HB2 GLU 66 lone 2 84 - 3 - H ASP 84 - HB3 GLU 89 lone 2 73 - 3 - 560/4.7=1 H ASP 84 - HB2 GLU 89 lone 2 73 - 3 - 560/4.7=1 H GLU 111 - HB2 GLU 66 lone 2 95 - 2 - H GLU 89 - HB3 GLN 100 lone 2 90 - 2 - H LEU 38 - HB3 GLN 85 lone 2 61 - 3 - H GLU 89 - HB3 GLU 98 lone 1 51 - 3 - H ASP 84 - HB2 GLU 66 lone 1 73 - 2 - H LEU 38 - HB2 GLU 89 lone 1 65 - 2 - H LEU 38 - HB3 GLU 89 lone 1 65 - 2 - H LEU 38 - HB3 GLU 98 lone 1 27 - 4 - 208/1.8=1 H ILE 15 - HB3 GLU 89 lone 1 70 - 1 - H ILE 15 - HB2 GLU 89 lone 1 70 - 1 - H ILE 15 - HB2 GLU 66 lone 1 69 - 1 - H LEU 38 - HB3 GLN 100 lone 1 53 - 1 - H GLU 112 - HB3 GLN 100 lone 1 70 - 1 - H ASP 84 - HB3 GLU 98 lone 1 31 - 2 - H ASP 84 - HB3 GLN 100 lone 0 60 - 1 - H ILE 15 - HB3 GLN 85 lone 0 65 - 1 - H GLU 111 - HB3 GLN 100 lone 0 82 - 0 - H ILE 15 - HB3 GLN 100 lone 0 56 - 1 - H GLU 111 - HB3 GLU 98 lone 0 45 - 1 - H GLU 112 - HB3 GLU 98 lone 0 37 - 1 - H ILE 15 - HB3 GLU 98 lone 0 29 - 0 - Peak 5752 from cnoeabs.peaks (4.15, 2.04, 29.24 ppm; 2.95 A): 2 out of 48 assignments used, quality = 1.00: HA GLU 89 + HB3 GLU 89 OK 98 100 - 98 - 3.0=94, 5747/1.8=11...(25) * HA GLU 89 + HB2 GLU 89 OK 98 100 - 98 - 3.0=94, 5747/1.8=11...(25) HA LEU 63 - HB2 GLU 66 OK 27 84 - 32 - 8113/1.8=10, 8110/3.7=9...(6) HA ARG 95 - HB2 GLU 66 OK 18 100 - 18 - 8219/3.0=3, 8221=3...(9) HA ARG 95 - HB3 GLU 98 OK 16 50 - 31 - 8219/1.8=14, 11702/4.0=8...(5) HA GLU 89 - HB2 GLU 66 OK 12 100 - 12 - 5748=2, 8181/1.8=2...(5) HA GLN 122 - HB2 GLU 66 OK 10 87 - 12 - 11069/3.0=2, 11070/3.0=2...(6) HA LEU 63 - HB3 GLN 85 poor 9 80 - 12 - 8111=2, 8220/1.8=2...(4) HA GLN 122 - HB3 GLN 85 lone 7 83 - 8 - 7031/3.0=2, 7031/3.0=2 HA VAL 22 - HB2 GLU 66 lone 4 77 - 5 - HA ALA 124 - HB2 GLU 66 lone 3 100 - 3 - HA ARG 95 - HB3 GLN 85 lone 3 97 - 3 - 8219/1.8=2 HA GLU 89 - HB3 GLU 98 lone 3 51 - 6 - 8220/1.8=1, 2179/4.3=1 HA GLU 89 - HB3 GLN 85 lone 3 98 - 3 - HA LEU 63 - HB3 GLU 89 lone 2 84 - 3 - HA LEU 63 - HB2 GLU 89 lone 2 84 - 3 - HA LEU 45 - HB2 GLU 66 lone 2 100 - 2 - HA LEU 70 - HB2 GLU 66 lone 2 80 - 3 - ~431=1 HA ARG 95 - HB2 GLU 89 lone 2 100 - 2 - HA ARG 95 - HB3 GLU 89 lone 2 100 - 2 - HA GLN 122 - HB2 GLU 89 lone 2 87 - 2 - HA GLN 122 - HB3 GLU 89 lone 2 87 - 2 - HA GLU 89 - HB3 GLN 100 lone 2 90 - 2 - HA LEU 70 - HB3 GLN 100 lone 2 67 - 2 - HA VAL 22 - HB2 GLU 89 lone 1 77 - 2 - HA VAL 22 - HB3 GLU 89 lone 1 77 - 2 - HA ALA 124 - HB3 GLN 85 lone 1 97 - 1 - HA ALA 124 - HB3 GLU 89 lone 1 100 - 1 - HA ALA 124 - HB2 GLU 89 lone 1 100 - 1 - HA ARG 95 - HB3 GLN 100 lone 1 89 - 1 - HA LEU 63 - HB3 GLU 98 lone 1 37 - 2 - HA LEU 63 - HB3 GLN 100 lone 1 70 - 1 - HA LEU 45 - HB3 GLU 98 lone 1 51 - 1 - HA ALA 124 - HB3 GLN 100 lone 1 89 - 1 - HA ALA 124 - HB3 GLU 98 lone 1 50 - 1 - HA VAL 22 - HB3 GLN 100 lone 1 63 - 1 - HA GLN 122 - HB3 GLN 100 lone 1 73 - 1 - HA LEU 70 - HB2 GLU 89 lone 0 81 - 1 - HA LEU 70 - HB3 GLU 89 lone 0 81 - 1 - HA LEU 45 - HB3 GLN 85 lone 0 98 - 0 - HA VAL 22 - HB3 GLN 85 lone 0 73 - 1 - HA LEU 70 - HB3 GLU 98 lone 0 35 - 1 - HA LEU 45 - HB2 GLU 89 lone 0 100 - 0 - HA LEU 45 - HB3 GLU 89 lone 0 100 - 0 - HA GLN 122 - HB3 GLU 98 lone 0 39 - 1 - HA LEU 70 - HB3 GLN 85 lone 0 76 - 0 - HA LEU 45 - HB3 GLN 100 lone 0 90 - 0 - HA VAL 22 - HB3 GLU 98 lone 0 33 - 1 - Peak 5753 from cnoeabs.peaks (2.04, 2.04, 29.24 ppm; diagonal): 5 out of 6 assignments used, quality = 1.00: * HB2 GLU 89 + HB2 GLU 89 OK 100 100 - 100 HB3 GLU 89 + HB3 GLU 89 OK 100 100 - 100 HB2 GLU 66 + HB2 GLU 66 OK 100 100 - 100 HB3 GLN 85 + HB3 GLN 85 OK 98 98 - 100 HB3 GLN 100 + HB3 GLN 100 OK 82 82 - 100 HB3 GLU 98 - HB3 GLU 98 OK 37 37 - 100 Peak 5754 from cnoeabs.peaks (2.04, 2.04, 29.24 ppm; diagonal): 5 out of 6 assignments used, quality = 1.00: HB2 GLU 89 + HB2 GLU 89 OK 100 100 - 100 HB3 GLU 89 + HB3 GLU 89 OK 100 100 - 100 HB2 GLU 66 + HB2 GLU 66 OK 100 100 - 100 HB3 GLN 85 + HB3 GLN 85 OK 98 98 - 100 HB3 GLN 100 + HB3 GLN 100 OK 82 82 - 100 HB3 GLU 98 - HB3 GLU 98 OK 37 37 - 100 Reference assignment not found: HB3 GLU 89 - HB2 GLU 89 Peak 5755 from cnoeabs.peaks (2.26, 2.04, 29.24 ppm; 2.63 A): 2 out of 42 assignments used, quality = 0.96: * HG2 GLU 89 + HB2 GLU 89 OK 80 100 - 80 - 3.0=66, 5749/3.0=9...(17) HG2 GLU 89 + HB3 GLU 89 OK 80 100 - 80 - 3.0=66, 5749/3.0=9...(17) HG3 GLU 92 - HB3 GLU 89 OK 31 100 - 31 - 5749/3.0=5, 5766=3...(15) HG3 GLU 92 - HB2 GLU 89 OK 31 100 - 31 - 5749/3.0=5, 5766=3...(15) HG2 GLU 69 - HB2 GLU 66 OK 12 92 - 13 - ~5024=2, ~8133=1...(5) HG3 GLU 111 - HB3 GLU 89 lone 8 98 - 8 - 5749/3.0=2, 1588/4.0=1 HG3 GLU 111 - HB2 GLU 89 lone 8 98 - 8 - 5749/3.0=2, 1588/4.0=1 HG3 GLU 92 - HB2 GLU 66 lone 6 100 - 6 - HG2 GLU 89 - HB2 GLU 66 lone 5 100 - 5 - HB2 GLU 37 - HB3 GLU 98 lone 3 48 - 6 - 3506/3.0=1 HG3 GLU 111 - HB2 GLU 66 lone 2 98 - 2 - HG2 GLU 103 - HB2 GLU 89 lone 2 97 - 2 - HG2 GLU 103 - HB3 GLU 89 lone 2 97 - 2 - HG2 GLU 69 - HB3 GLU 89 lone 2 92 - 2 - HG2 GLU 69 - HB2 GLU 89 lone 2 92 - 2 - HB2 GLU 37 - HB3 GLU 89 lone 1 98 - 1 - HB2 GLU 37 - HB2 GLU 89 lone 1 98 - 1 - HG2 GLU 69 - HB3 GLN 100 lone 1 78 - 2 - HG2 GLU 89 - HB3 GLN 85 lone 1 98 - 1 - HB3 ASN 8 - HB3 GLU 89 lone 1 92 - 1 - HB3 ASN 8 - HB2 GLU 89 lone 1 92 - 1 - HB2 GLU 37 - HB2 GLU 66 lone 1 98 - 1 - HG3 GLU 92 - HB3 GLN 100 lone 1 89 - 1 - HG2 GLU 103 - HB2 GLU 66 lone 1 97 - 1 - HG2 GLU 89 - HB3 GLU 98 lone 1 51 - 2 - HB2 GLU 37 - HB3 GLN 100 lone 1 86 - 1 - HG2 GLU 89 - HB3 GLN 100 lone 1 90 - 1 - HG3 GLU 111 - HB3 GLN 85 lone 1 95 - 1 - HB2 GLU 37 - HB3 GLN 85 lone 1 95 - 1 - HG3 GLU 92 - HB3 GLU 98 lone 1 51 - 1 - HG3 GLU 92 - HB3 GLN 85 lone 1 98 - 1 - HG3 GLU 111 - HB3 GLN 100 lone 1 86 - 1 - HB3 ASN 8 - HB2 GLU 66 lone 0 92 - 0 - HG2 GLU 69 - HB3 GLU 98 lone 0 42 - 1 - HG2 GLU 69 - HB3 GLN 85 lone 0 88 - 0 - HG2 GLU 103 - HB3 GLN 100 lone 0 84 - 0 - HG2 GLU 103 - HB3 GLN 85 lone 0 94 - 0 - HB3 ASN 8 - HB3 GLN 85 lone 0 88 - 0 - HB3 ASN 8 - HB3 GLN 100 lone 0 78 - 0 - HG3 GLU 111 - HB3 GLU 98 lone 0 48 - 0 - HG2 GLU 103 - HB3 GLU 98 lone 0 46 - 0 - HB3 ASN 8 - HB3 GLU 98 lone 0 42 - 0 - Peak 5756 from cnoeabs.peaks (2.31, 2.04, 29.24 ppm; 2.68 A): 2 out of 48 assignments used, quality = 0.97: * HG3 GLU 89 + HB2 GLU 89 OK 83 100 - 83 - 3.0=71, 5750/3.0=7...(17) HG3 GLU 89 + HB3 GLU 89 OK 83 100 - 83 - 3.0=71, 5750/3.0=7...(17) HG2 GLU 92 - HB2 GLU 89 OK 32 99 - 33 - 5750/3.0=4, 5769/4.0=3...(16) HG2 GLU 92 - HB3 GLU 89 OK 32 99 - 33 - 5750/3.0=4, 5769/4.0=3...(16) HG3 GLU 87 - HB2 GLU 89 poor 8 73 - 11 - 5.0/551=1, 1589/4.0=1 HG2 GLU 87 - HB3 GLU 89 poor 8 73 - 11 - 5.0/551=1, 1589/4.0=1 HG2 GLU 87 - HB2 GLU 89 poor 8 73 - 11 - 5.0/551=1, 1589/4.0=1 HG3 GLU 87 - HB3 GLU 89 poor 8 73 - 11 - 5.0/551=1, 1589/4.0=1 HG2 GLU 92 - HB2 GLU 66 lone 6 99 - 6 - HG3 GLU 89 - HB2 GLU 66 lone 5 100 - 5 - HG2 GLU 87 - HB2 GLU 66 lone 4 73 - 5 - HG3 GLU 87 - HB2 GLU 66 lone 4 73 - 5 - HG3 GLU 13 - HB2 GLU 89 lone 2 100 - 2 - HG3 GLU 13 - HB3 GLU 89 lone 2 100 - 2 - HG3 GLU 13 - HB3 GLU 98 lone 2 51 - 3 - HG3 GLU 103 - HB2 GLU 89 lone 2 87 - 2 - HG3 GLU 103 - HB3 GLU 89 lone 2 87 - 2 - HG3 GLU 13 - HB2 GLU 66 lone 2 100 - 2 - HG3 GLU 48 - HB3 GLU 89 lone 2 96 - 2 - HG3 GLU 48 - HB2 GLU 89 lone 2 96 - 2 - HG2 GLU 87 - HB3 GLN 85 lone 1 69 - 2 - HG3 GLU 87 - HB3 GLN 85 lone 1 69 - 2 - HG3 GLU 89 - HB3 GLN 85 lone 1 98 - 1 - HG3 GLU 13 - HB3 GLN 85 lone 1 98 - 1 - HG3 GLU 89 - HB3 GLU 98 lone 1 51 - 2 - HG3 GLU 13 - HB3 GLN 100 lone 1 90 - 1 - HG2 GLU 92 - HB3 GLN 100 lone 1 87 - 1 - HG3 GLU 48 - HB2 GLU 66 lone 1 95 - 1 - HG3 GLU 103 - HB2 GLU 66 lone 1 87 - 1 - HG3 GLU 89 - HB3 GLN 100 lone 1 90 - 1 - HG2 GLU 47 - HB3 GLU 89 lone 1 73 - 1 - HG2 GLU 47 - HB2 GLU 89 lone 1 73 - 1 - HG2 GLU 92 - HB3 GLN 85 lone 1 96 - 1 - HG2 GLU 92 - HB3 GLU 98 lone 0 49 - 1 - HG3 GLU 48 - HB3 GLN 85 lone 0 92 - 0 - HG2 GLU 47 - HB2 GLU 66 lone 0 73 - 0 - HG3 GLU 103 - HB3 GLN 85 lone 0 83 - 0 - HG3 GLU 48 - HB3 GLN 100 lone 0 82 - 0 - HG2 GLU 87 - HB3 GLN 100 lone 0 60 - 0 - HG3 GLU 87 - HB3 GLN 100 lone 0 60 - 0 - HG3 GLU 103 - HB3 GLN 100 lone 0 73 - 0 - HG2 GLU 47 - HB3 GLN 85 lone 0 69 - 0 - HG3 GLU 48 - HB3 GLU 98 lone 0 45 - 0 - HG2 GLU 87 - HB3 GLU 98 lone 0 31 - 1 - HG3 GLU 87 - HB3 GLU 98 lone 0 31 - 1 - HG2 GLU 47 - HB3 GLN 100 lone 0 60 - 0 - HG3 GLU 103 - HB3 GLU 98 lone 0 39 - 0 - HG2 GLU 47 - HB3 GLU 98 lone 0 31 - 0 - Peak 5757 from cnoeabs.peaks (8.22, 2.04, 29.24 ppm; 3.31 A): 2 out of 36 assignments used, quality = 0.97: H GLU 89 + HB2 GLU 89 OK 83 100 - 83 - 4.0=55, 1587/1.8=12...(17) * H GLU 89 + HB3 GLU 89 OK 83 100 - 83 - 4.0=55, 1587/1.8=12...(17) H GLU 89 - HB2 GLU 66 OK 11 100 - 11 - 1586=2, 3.0/5747=1, ~8181=1 H ASP 84 - HB3 GLN 85 poor 8 69 - 12 - 4.6/1563=10 H GLU 111 - HB3 GLU 89 lone 7 96 - 8 - 1730/1.8=1, 1732/3.0=1, 1730=1 H GLU 111 - HB2 GLU 89 lone 7 96 - 8 - 1730/1.8=1, 1732/3.0=1, 1730=1 H GLU 111 - HB3 GLN 85 lone 6 92 - 7 - 699/4.6=1, 4.6/7738=1, 701/3.0=1 H GLU 112 - HB3 GLU 89 lone 5 84 - 5 - H GLU 112 - HB2 GLU 89 lone 5 84 - 5 - H LEU 38 - HB2 GLU 66 lone 4 65 - 7 - 4.4/11060=3, 2030/4.1=2 H GLU 89 - HB3 GLN 85 lone 3 98 - 3 - H GLU 112 - HB3 GLN 85 lone 2 80 - 3 - H GLU 112 - HB2 GLU 66 lone 2 84 - 3 - H ASP 84 - HB3 GLU 89 lone 2 73 - 3 - 560/4.7=1 H ASP 84 - HB2 GLU 89 lone 2 73 - 3 - 560/4.7=1 H GLU 111 - HB2 GLU 66 lone 2 95 - 2 - H GLU 89 - HB3 GLN 100 lone 2 90 - 2 - H LEU 38 - HB3 GLN 85 lone 2 61 - 3 - H GLU 89 - HB3 GLU 98 lone 1 51 - 3 - H ASP 84 - HB2 GLU 66 lone 1 73 - 2 - H LEU 38 - HB2 GLU 89 lone 1 65 - 2 - H LEU 38 - HB3 GLU 89 lone 1 65 - 2 - H LEU 38 - HB3 GLU 98 lone 1 27 - 4 - 208/1.8=1 H ILE 15 - HB3 GLU 89 lone 1 70 - 1 - H ILE 15 - HB2 GLU 89 lone 1 70 - 1 - H ILE 15 - HB2 GLU 66 lone 1 69 - 1 - H LEU 38 - HB3 GLN 100 lone 1 53 - 1 - H GLU 112 - HB3 GLN 100 lone 1 70 - 1 - H ASP 84 - HB3 GLU 98 lone 1 31 - 2 - H ASP 84 - HB3 GLN 100 lone 0 60 - 1 - H ILE 15 - HB3 GLN 85 lone 0 65 - 1 - H GLU 111 - HB3 GLN 100 lone 0 82 - 0 - H ILE 15 - HB3 GLN 100 lone 0 56 - 1 - H GLU 111 - HB3 GLU 98 lone 0 45 - 1 - H GLU 112 - HB3 GLU 98 lone 0 37 - 1 - H ILE 15 - HB3 GLU 98 lone 0 29 - 0 - Peak 5758 from cnoeabs.peaks (4.15, 2.04, 29.24 ppm; 2.95 A): 2 out of 48 assignments used, quality = 1.00: * HA GLU 89 + HB3 GLU 89 OK 98 100 - 98 - 3.0=94, 5747/1.8=11...(25) HA GLU 89 + HB2 GLU 89 OK 98 100 - 98 - 3.0=94, 5747/1.8=11...(25) HA LEU 63 - HB2 GLU 66 OK 27 84 - 32 - 8113/1.8=10, 8110/3.7=9...(6) HA ARG 95 - HB2 GLU 66 OK 18 100 - 18 - 8219/3.0=3, 8221=3...(9) HA ARG 95 - HB3 GLU 98 OK 16 50 - 31 - 8219/1.8=14, 11702/4.0=8...(5) HA GLU 89 - HB2 GLU 66 OK 12 100 - 12 - 5748=2, 8181/1.8=2...(5) HA GLN 122 - HB2 GLU 66 OK 10 87 - 12 - 11069/3.0=2, 11070/3.0=2...(6) HA LEU 63 - HB3 GLN 85 poor 9 80 - 12 - 8111=2, 8220/1.8=2...(4) HA GLN 122 - HB3 GLN 85 lone 7 83 - 8 - 7031/3.0=2, 7031/3.0=2 HA VAL 22 - HB2 GLU 66 lone 4 77 - 5 - HA ALA 124 - HB2 GLU 66 lone 3 100 - 3 - HA ARG 95 - HB3 GLN 85 lone 3 97 - 3 - 8219/1.8=2 HA GLU 89 - HB3 GLU 98 lone 3 51 - 6 - 8220/1.8=1, 2179/4.3=1 HA GLU 89 - HB3 GLN 85 lone 3 98 - 3 - HA LEU 63 - HB3 GLU 89 lone 2 84 - 3 - HA LEU 63 - HB2 GLU 89 lone 2 84 - 3 - HA LEU 45 - HB2 GLU 66 lone 2 100 - 2 - HA LEU 70 - HB2 GLU 66 lone 2 80 - 3 - ~431=1 HA ARG 95 - HB2 GLU 89 lone 2 100 - 2 - HA ARG 95 - HB3 GLU 89 lone 2 100 - 2 - HA GLN 122 - HB2 GLU 89 lone 2 87 - 2 - HA GLN 122 - HB3 GLU 89 lone 2 87 - 2 - HA GLU 89 - HB3 GLN 100 lone 2 90 - 2 - HA LEU 70 - HB3 GLN 100 lone 2 67 - 2 - HA VAL 22 - HB2 GLU 89 lone 1 77 - 2 - HA VAL 22 - HB3 GLU 89 lone 1 77 - 2 - HA ALA 124 - HB3 GLN 85 lone 1 97 - 1 - HA ALA 124 - HB3 GLU 89 lone 1 100 - 1 - HA ALA 124 - HB2 GLU 89 lone 1 100 - 1 - HA ARG 95 - HB3 GLN 100 lone 1 89 - 1 - HA LEU 63 - HB3 GLU 98 lone 1 37 - 2 - HA LEU 63 - HB3 GLN 100 lone 1 70 - 1 - HA LEU 45 - HB3 GLU 98 lone 1 51 - 1 - HA ALA 124 - HB3 GLN 100 lone 1 89 - 1 - HA ALA 124 - HB3 GLU 98 lone 1 50 - 1 - HA VAL 22 - HB3 GLN 100 lone 1 63 - 1 - HA GLN 122 - HB3 GLN 100 lone 1 73 - 1 - HA LEU 70 - HB2 GLU 89 lone 0 81 - 1 - HA LEU 70 - HB3 GLU 89 lone 0 81 - 1 - HA LEU 45 - HB3 GLN 85 lone 0 98 - 0 - HA VAL 22 - HB3 GLN 85 lone 0 73 - 1 - HA LEU 70 - HB3 GLU 98 lone 0 35 - 1 - HA LEU 45 - HB2 GLU 89 lone 0 100 - 0 - HA LEU 45 - HB3 GLU 89 lone 0 100 - 0 - HA GLN 122 - HB3 GLU 98 lone 0 39 - 1 - HA LEU 70 - HB3 GLN 85 lone 0 76 - 0 - HA LEU 45 - HB3 GLN 100 lone 0 90 - 0 - HA VAL 22 - HB3 GLU 98 lone 0 33 - 1 - Peak 5759 from cnoeabs.peaks (2.04, 2.04, 29.24 ppm; diagonal): 5 out of 6 assignments used, quality = 1.00: HB2 GLU 89 + HB2 GLU 89 OK 100 100 - 100 HB3 GLU 89 + HB3 GLU 89 OK 100 100 - 100 HB2 GLU 66 + HB2 GLU 66 OK 100 100 - 100 HB3 GLN 85 + HB3 GLN 85 OK 98 98 - 100 HB3 GLN 100 + HB3 GLN 100 OK 82 82 - 100 HB3 GLU 98 - HB3 GLU 98 OK 37 37 - 100 Reference assignment not found: HB2 GLU 89 - HB3 GLU 89 Peak 5760 from cnoeabs.peaks (2.04, 2.04, 29.24 ppm; diagonal): 5 out of 6 assignments used, quality = 1.00: HB2 GLU 89 + HB2 GLU 89 OK 100 100 - 100 * HB3 GLU 89 + HB3 GLU 89 OK 100 100 - 100 HB2 GLU 66 + HB2 GLU 66 OK 100 100 - 100 HB3 GLN 85 + HB3 GLN 85 OK 98 98 - 100 HB3 GLN 100 + HB3 GLN 100 OK 82 82 - 100 HB3 GLU 98 - HB3 GLU 98 OK 37 37 - 100 Peak 5761 from cnoeabs.peaks (2.26, 2.04, 29.24 ppm; 2.63 A): 2 out of 42 assignments used, quality = 0.96: HG2 GLU 89 + HB2 GLU 89 OK 80 100 - 80 - 3.0=66, 5749/3.0=9...(17) * HG2 GLU 89 + HB3 GLU 89 OK 80 100 - 80 - 3.0=66, 5749/3.0=9...(17) HG3 GLU 92 - HB3 GLU 89 OK 31 100 - 31 - 5749/3.0=5, 5766=3...(15) HG3 GLU 92 - HB2 GLU 89 OK 31 100 - 31 - 5749/3.0=5, 5766=3...(15) HG2 GLU 69 - HB2 GLU 66 OK 12 92 - 13 - ~5024=2, ~8133=1...(5) HG3 GLU 111 - HB3 GLU 89 lone 8 98 - 8 - 5749/3.0=2, 1588/4.0=1 HG3 GLU 111 - HB2 GLU 89 lone 8 98 - 8 - 5749/3.0=2, 1588/4.0=1 HG3 GLU 92 - HB2 GLU 66 lone 6 100 - 6 - HG2 GLU 89 - HB2 GLU 66 lone 5 100 - 5 - HB2 GLU 37 - HB3 GLU 98 lone 3 48 - 6 - 3506/3.0=1 HG3 GLU 111 - HB2 GLU 66 lone 2 98 - 2 - HG2 GLU 103 - HB2 GLU 89 lone 2 97 - 2 - HG2 GLU 103 - HB3 GLU 89 lone 2 97 - 2 - HG2 GLU 69 - HB3 GLU 89 lone 2 92 - 2 - HG2 GLU 69 - HB2 GLU 89 lone 2 92 - 2 - HB2 GLU 37 - HB3 GLU 89 lone 1 98 - 1 - HB2 GLU 37 - HB2 GLU 89 lone 1 98 - 1 - HG2 GLU 69 - HB3 GLN 100 lone 1 78 - 2 - HG2 GLU 89 - HB3 GLN 85 lone 1 98 - 1 - HB3 ASN 8 - HB3 GLU 89 lone 1 92 - 1 - HB3 ASN 8 - HB2 GLU 89 lone 1 92 - 1 - HB2 GLU 37 - HB2 GLU 66 lone 1 98 - 1 - HG3 GLU 92 - HB3 GLN 100 lone 1 89 - 1 - HG2 GLU 103 - HB2 GLU 66 lone 1 97 - 1 - HG2 GLU 89 - HB3 GLU 98 lone 1 51 - 2 - HB2 GLU 37 - HB3 GLN 100 lone 1 86 - 1 - HG2 GLU 89 - HB3 GLN 100 lone 1 90 - 1 - HG3 GLU 111 - HB3 GLN 85 lone 1 95 - 1 - HB2 GLU 37 - HB3 GLN 85 lone 1 95 - 1 - HG3 GLU 92 - HB3 GLU 98 lone 1 51 - 1 - HG3 GLU 92 - HB3 GLN 85 lone 1 98 - 1 - HG3 GLU 111 - HB3 GLN 100 lone 1 86 - 1 - HB3 ASN 8 - HB2 GLU 66 lone 0 92 - 0 - HG2 GLU 69 - HB3 GLU 98 lone 0 42 - 1 - HG2 GLU 69 - HB3 GLN 85 lone 0 88 - 0 - HG2 GLU 103 - HB3 GLN 100 lone 0 84 - 0 - HG2 GLU 103 - HB3 GLN 85 lone 0 94 - 0 - HB3 ASN 8 - HB3 GLN 85 lone 0 88 - 0 - HB3 ASN 8 - HB3 GLN 100 lone 0 78 - 0 - HG3 GLU 111 - HB3 GLU 98 lone 0 48 - 0 - HG2 GLU 103 - HB3 GLU 98 lone 0 46 - 0 - HB3 ASN 8 - HB3 GLU 98 lone 0 42 - 0 - Peak 5762 from cnoeabs.peaks (2.31, 2.04, 29.24 ppm; 2.68 A): 2 out of 48 assignments used, quality = 0.97: HG3 GLU 89 + HB2 GLU 89 OK 83 100 - 83 - 3.0=71, 5750/3.0=7...(17) * HG3 GLU 89 + HB3 GLU 89 OK 83 100 - 83 - 3.0=71, 5750/3.0=7...(17) HG2 GLU 92 - HB2 GLU 89 OK 32 99 - 33 - 5750/3.0=4, 5769/4.0=3...(16) HG2 GLU 92 - HB3 GLU 89 OK 32 99 - 33 - 5750/3.0=4, 5769/4.0=3...(16) HG3 GLU 87 - HB2 GLU 89 poor 8 73 - 11 - 5.0/551=1, 1589/4.0=1 HG2 GLU 87 - HB3 GLU 89 poor 8 73 - 11 - 5.0/551=1, 1589/4.0=1 HG2 GLU 87 - HB2 GLU 89 poor 8 73 - 11 - 5.0/551=1, 1589/4.0=1 HG3 GLU 87 - HB3 GLU 89 poor 8 73 - 11 - 5.0/551=1, 1589/4.0=1 HG2 GLU 92 - HB2 GLU 66 lone 6 99 - 6 - HG3 GLU 89 - HB2 GLU 66 lone 5 100 - 5 - HG2 GLU 87 - HB2 GLU 66 lone 4 73 - 5 - HG3 GLU 87 - HB2 GLU 66 lone 4 73 - 5 - HG3 GLU 13 - HB2 GLU 89 lone 2 100 - 2 - HG3 GLU 13 - HB3 GLU 89 lone 2 100 - 2 - HG3 GLU 13 - HB3 GLU 98 lone 2 51 - 3 - HG3 GLU 103 - HB2 GLU 89 lone 2 87 - 2 - HG3 GLU 103 - HB3 GLU 89 lone 2 87 - 2 - HG3 GLU 13 - HB2 GLU 66 lone 2 100 - 2 - HG3 GLU 48 - HB3 GLU 89 lone 2 96 - 2 - HG3 GLU 48 - HB2 GLU 89 lone 2 96 - 2 - HG2 GLU 87 - HB3 GLN 85 lone 1 69 - 2 - HG3 GLU 87 - HB3 GLN 85 lone 1 69 - 2 - HG3 GLU 89 - HB3 GLN 85 lone 1 98 - 1 - HG3 GLU 13 - HB3 GLN 85 lone 1 98 - 1 - HG3 GLU 89 - HB3 GLU 98 lone 1 51 - 2 - HG3 GLU 13 - HB3 GLN 100 lone 1 90 - 1 - HG2 GLU 92 - HB3 GLN 100 lone 1 87 - 1 - HG3 GLU 48 - HB2 GLU 66 lone 1 95 - 1 - HG3 GLU 103 - HB2 GLU 66 lone 1 87 - 1 - HG3 GLU 89 - HB3 GLN 100 lone 1 90 - 1 - HG2 GLU 47 - HB3 GLU 89 lone 1 73 - 1 - HG2 GLU 47 - HB2 GLU 89 lone 1 73 - 1 - HG2 GLU 92 - HB3 GLN 85 lone 1 96 - 1 - HG2 GLU 92 - HB3 GLU 98 lone 0 49 - 1 - HG3 GLU 48 - HB3 GLN 85 lone 0 92 - 0 - HG2 GLU 47 - HB2 GLU 66 lone 0 73 - 0 - HG3 GLU 103 - HB3 GLN 85 lone 0 83 - 0 - HG3 GLU 48 - HB3 GLN 100 lone 0 82 - 0 - HG2 GLU 87 - HB3 GLN 100 lone 0 60 - 0 - HG3 GLU 87 - HB3 GLN 100 lone 0 60 - 0 - HG3 GLU 103 - HB3 GLN 100 lone 0 73 - 0 - HG2 GLU 47 - HB3 GLN 85 lone 0 69 - 0 - HG3 GLU 48 - HB3 GLU 98 lone 0 45 - 0 - HG2 GLU 87 - HB3 GLU 98 lone 0 31 - 1 - HG3 GLU 87 - HB3 GLU 98 lone 0 31 - 1 - HG2 GLU 47 - HB3 GLN 100 lone 0 60 - 0 - HG3 GLU 103 - HB3 GLU 98 lone 0 39 - 0 - HG2 GLU 47 - HB3 GLU 98 lone 0 31 - 0 - Peak 5763 from cnoeabs.peaks (8.22, 2.26, 36.01 ppm; 3.71 A): 3 out of 30 assignments used, quality = 0.97: * H GLU 89 + HG2 GLU 89 OK 76 100 - 76 - 5.2=37, 3.0/5749=17...(13) H GLU 111 + HG3 GLU 111 OK 69 89 - 78 - 5.2=37, 6603/3.0=22...(8) H GLU 89 + HG3 GLU 92 OK 54 100 - 55 - 1588=12, 5769/1.8=11...(15) H GLU 112 - HG3 GLU 111 OK 42 76 - 56 - 706/3.0=18, 7870/3.0=15...(8) H GLU 89 - HG3 GLU 111 OK 23 96 - 24 - 1588=6, 6597/3.0=5...(7) H GLU 111 - HG2 GLU 89 lone 9 96 - 9 - 1732=2, 5769/1.8=1...(4) H GLU 112 - HG2 GLU 89 lone 6 84 - 7 - 708=1, 5769/1.8=1 H GLU 111 - HG3 GLU 92 lone 4 95 - 4 - H GLU 89 - HG2 GLU 103 lone 4 64 - 5 - 1588=1 H GLU 89 - HG2 GLU 69 lone 3 83 - 4 - H LEU 38 - HG2 GLU 69 lone 3 47 - 7 - 4.6/1228=2, 207=2, 3.6/5016=1 H LEU 38 - HG3 GLU 111 lone 3 58 - 5 - 6597/3.0=1 H GLU 111 - HG2 GLU 69 lone 3 75 - 4 - H GLU 112 - HG3 GLU 92 lone 3 83 - 3 - H GLU 112 - HG2 GLU 69 lone 3 63 - 4 - H ILE 15 - HG3 GLU 111 lone 2 62 - 3 - 7871/3.0=1 H LEU 38 - HG2 GLU 89 lone 2 65 - 2 - H LEU 38 - HG3 GLU 92 lone 1 65 - 2 - H GLU 112 - HG2 GLU 103 lone 1 47 - 3 - H ASP 84 - HG2 GLU 89 lone 1 73 - 2 - H GLU 111 - HG2 GLU 103 lone 1 57 - 2 - H ASP 84 - HG3 GLU 111 lone 1 66 - 1 - H ASP 84 - HG3 GLU 92 lone 1 73 - 1 - H ILE 15 - HG2 GLU 89 lone 1 70 - 1 - H ILE 15 - HG3 GLU 92 lone 1 69 - 1 - H ASP 84 - HG2 GLU 69 lone 0 54 - 1 - H ILE 15 - HG2 GLU 69 lone 0 51 - 1 - H LEU 38 - HG2 GLU 103 lone 0 34 - 1 - H ASP 84 - HG2 GLU 103 lone 0 39 - 1 - H ILE 15 - HG2 GLU 103 lone 0 37 - 0 - Peak 5764 from cnoeabs.peaks (4.15, 2.26, 36.01 ppm; 3.64 A): 2 out of 40 assignments used, quality = 0.99: * HA GLU 89 + HG2 GLU 89 OK 97 100 - 97 - 3.8=89, 5750/1.8=18...(22) HA GLU 89 + HG3 GLU 92 OK 66 100 - 66 - 5749=15, 8180/3.0=14...(19) HA GLU 89 - HG3 GLU 111 OK 27 96 - 28 - 5749=6, 8181/3.0=4...(13) HA LEU 70 - HG2 GLU 69 OK 21 60 - 35 - ~7652=7, ~431=7...(7) HA ARG 95 - HG3 GLU 92 OK 19 99 - 20 - 8180/3.0=8, 8182/3.0=6...(4) HA ARG 95 - HG2 GLU 89 lone 4 100 - 4 - HA GLU 89 - HG2 GLU 69 lone 4 83 - 5 - HA GLU 89 - HG2 GLU 103 lone 4 64 - 6 - 5749=1 HA GLN 122 - HG3 GLU 92 lone 4 86 - 4 - 2144/4.8=1, 8180/3.0=1 HA ALA 124 - HG3 GLU 92 lone 3 99 - 3 - 2144/4.8=1 HA LEU 70 - HG3 GLU 111 lone 3 73 - 4 - 3.0/7651=1 HA LEU 63 - HG2 GLU 69 lone 3 63 - 4 - 8113/3.0=2 HA GLN 122 - HG2 GLU 89 lone 2 87 - 3 - HA LEU 70 - HG3 GLU 92 lone 2 80 - 3 - HA LEU 63 - HG3 GLU 92 lone 2 83 - 3 - HA LEU 63 - HG2 GLU 89 lone 2 84 - 3 - HA LEU 45 - HG2 GLU 69 lone 2 83 - 2 - 3.6/1456=1 HA LEU 45 - HG3 GLU 92 lone 2 100 - 2 - HA ARG 95 - HG2 GLU 69 lone 2 82 - 2 - HA VAL 22 - HG2 GLU 89 lone 2 77 - 2 - HA ARG 95 - HG3 GLU 111 lone 1 95 - 1 - HA VAL 22 - HG3 GLU 92 lone 1 76 - 2 - HA ALA 124 - HG2 GLU 89 lone 1 100 - 1 - HA LEU 63 - HG3 GLU 111 lone 1 76 - 1 - HA ARG 95 - HG2 GLU 103 lone 1 63 - 2 - HA GLN 122 - HG2 GLU 69 lone 1 66 - 1 - HA LEU 45 - HG2 GLU 89 lone 1 100 - 1 - HA LEU 70 - HG2 GLU 89 lone 1 81 - 1 - HA LEU 45 - HG3 GLU 111 lone 1 96 - 1 - HA GLN 122 - HG3 GLU 111 lone 1 79 - 1 - HA VAL 22 - HG2 GLU 69 lone 1 57 - 1 - HA ALA 124 - HG2 GLU 69 lone 1 82 - 1 - HA VAL 22 - HG3 GLU 111 lone 0 70 - 1 - HA ALA 124 - HG3 GLU 111 lone 0 95 - 0 - HA GLN 122 - HG2 GLU 103 lone 0 49 - 1 - HA VAL 22 - HG2 GLU 103 lone 0 42 - 1 - HA ALA 124 - HG2 GLU 103 lone 0 63 - 0 - HA LEU 45 - HG2 GLU 103 lone 0 63 - 0 - HA LEU 63 - HG2 GLU 103 lone 0 47 - 1 - HA LEU 70 - HG2 GLU 103 lone 0 44 - 1 - Peak 5765 from cnoeabs.peaks (2.04, 2.26, 36.01 ppm; 2.51 A): 3 out of 85 assignments used, quality = 0.98: HB3 GLU 89 + HG2 GLU 89 OK 74 100 - 74 - 3.0=58, 1.8/5761=8...(15) * HB2 GLU 89 + HG2 GLU 89 OK 74 100 - 74 - 3.0=58, 1.8/5761=8...(15) HB2 GLU 92 + HG3 GLU 92 OK 65 83 - 78 - 3.0=58, 1.8/5864=14...(15) HB3 GLU 111 - HG3 GLU 111 OK 40 62 - 65 - 3.0=58, 3.0/6596=6...(6) HB3 GLU 89 - HG3 GLU 92 OK 29 100 - 30 - 3.0/5749=5, 5755=5...(12) HB2 GLU 89 - HG3 GLU 92 OK 29 100 - 30 - 3.0/5749=5, 5761=5...(12) HB2 GLU 92 - HG2 GLU 89 OK 26 84 - 31 - 5858=7, 1.8/5864=5...(9) HB2 GLU 66 - HG2 GLU 69 OK 11 83 - 13 - 1.8/5013=2, ~5024=2...(5) HB2 GLU 89 - HG3 GLU 111 lone 6 96 - 7 - 3.0/5749=2, 5761=1, 4.0/1588=1 HB3 GLU 89 - HG3 GLU 111 lone 6 96 - 7 - 3.0/5749=2, 5761=1, 4.0/1588=1 HB2 GLU 92 - HG2 GLU 69 lone 6 63 - 10 - 5858=2, 1.8/5864=2 HB2 GLU 66 - HG3 GLU 92 lone 5 100 - 5 - HB2 GLU 66 - HG2 GLU 89 lone 5 100 - 5 - HB3 GLU 87 - HG2 GLU 89 lone 5 100 - 5 - HB3 GLU 87 - HG3 GLU 111 lone 4 96 - 4 - HB2 GLU 92 - HG2 GLU 103 lone 3 47 - 7 - 5858=1, 1.8/5864=1 HB2 GLU 92 - HG3 GLU 111 lone 3 76 - 3 - HB3 GLU 111 - HG2 GLU 89 lone 2 70 - 3 - HB2 GLU 66 - HG3 GLU 111 lone 2 96 - 2 - HB2 GLU 89 - HG2 GLU 69 lone 1 83 - 2 - HB3 GLU 89 - HG2 GLU 69 lone 1 83 - 2 - HB2 GLU 89 - HG2 GLU 103 lone 1 64 - 2 - HB3 GLU 89 - HG2 GLU 103 lone 1 64 - 2 - HB3 MET 67 - HG2 GLU 69 lone 1 73 - 2 - HB3 GLU 98 - HG2 GLU 89 lone 1 84 - 1 - HB3 GLU 87 - HG3 GLU 92 lone 1 100 - 1 - HB2 GLU 47 - HG2 GLU 69 lone 1 54 - 2 - HB3 GLN 85 - HG2 GLU 89 lone 1 100 - 1 - HB3 GLN 100 - HG2 GLU 69 lone 1 75 - 1 - HB3 GLU 111 - HG2 GLU 69 lone 1 51 - 2 - HB3 GLU 98 - HG3 GLU 92 lone 1 83 - 1 - HB3 GLN 100 - HG3 GLU 92 lone 1 95 - 1 - HB3 GLU 111 - HG3 GLU 92 lone 1 69 - 1 - HB3 GLN 100 - HG2 GLU 89 lone 1 96 - 1 - HB3 GLU 48 - HG3 GLU 92 lone 1 100 - 1 - HB2 GLU 48 - HG3 GLU 92 lone 1 100 - 1 - HB3 GLN 85 - HG3 GLU 111 lone 1 96 - 1 - HB3 GLU 87 - HG2 GLU 69 lone 1 83 - 1 - HB3 GLN 85 - HG3 GLU 92 lone 0 100 - 0 - HB2 GLU 48 - HG2 GLU 89 lone 0 100 - 0 - HB3 GLU 48 - HG2 GLU 89 lone 0 100 - 0 - HB3 GLN 100 - HG3 GLU 111 lone 0 89 - 0 - HB3 GLU 98 - HG2 GLU 69 lone 0 63 - 1 - HB2 GLU 66 - HG2 GLU 103 lone 0 64 - 1 - HB3 MET 67 - HG2 GLU 89 lone 0 94 - 0 - HB2 GLU 47 - HG3 GLU 111 lone 0 66 - 1 - HB2 GLU 47 - HG2 GLU 89 lone 0 73 - 0 - HB3 MET 67 - HG3 GLU 92 lone 0 93 - 0 - HB2 GLU 47 - HG3 GLU 92 lone 0 73 - 0 - HB3 GLU 98 - HG3 GLU 111 lone 0 76 - 0 - HB3 GLN 85 - HG2 GLU 69 lone 0 83 - 0 - HB2 GLU 48 - HG3 GLU 111 lone 0 96 - 0 - HB3 GLU 48 - HG3 GLU 111 lone 0 96 - 0 - HB VAL 117 - HG3 GLU 111 lone 0 90 - 0 - HB3 GLU 87 - HG2 GLU 103 lone 0 64 - 0 - HB VAL 117 - HG2 GLU 89 lone 0 97 - 0 - HB3 MET 67 - HG3 GLU 111 lone 0 87 - 0 - HB VAL 117 - HG3 GLU 92 lone 0 96 - 0 - HG3 GLU 52 - HG2 GLU 89 lone 0 99 - 0 - HB2 GLU 48 - HG2 GLU 69 lone 0 83 - 0 - HB3 GLU 48 - HG2 GLU 69 lone 0 83 - 0 - HG3 GLU 52 - HG3 GLU 92 lone 0 99 - 0 - HB2 MET 1 - HG2 GLU 89 lone 0 92 - 0 - HB2 MET 1 - HG3 GLU 111 lone 0 84 - 0 - HB2 GLN 25 - HG2 GLU 89 lone 0 61 - 0 - HB VAL 117 - HG2 GLU 69 lone 0 77 - 0 - HB2 MET 1 - HG3 GLU 92 lone 0 91 - 0 - HG3 GLU 52 - HG3 GLU 111 lone 0 94 - 0 - HB3 GLN 85 - HG2 GLU 103 lone 0 64 - 0 - HG3 GLU 52 - HG2 GLU 69 lone 0 81 - 0 - HB3 GLU 111 - HG2 GLU 103 lone 0 37 - 0 - HB3 GLU 98 - HG2 GLU 103 lone 0 47 - 0 - HB2 MET 1 - HG2 GLU 69 lone 0 71 - 0 - HB3 GLN 100 - HG2 GLU 103 lone 0 57 - 0 - HB2 GLN 25 - HG3 GLU 111 lone 0 55 - 0 - HB2 GLU 48 - HG2 GLU 103 lone 0 64 - 0 - HB3 GLU 48 - HG2 GLU 103 lone 0 64 - 0 - HB2 GLN 25 - HG3 GLU 92 lone 0 61 - 0 - HG3 GLU 52 - HG2 GLU 103 lone 0 62 - 0 - HB VAL 117 - HG2 GLU 103 lone 0 58 - 0 - HB3 MET 67 - HG2 GLU 103 lone 0 55 - 0 - HB2 GLN 25 - HG2 GLU 69 lone 0 44 - 0 - HB2 MET 1 - HG2 GLU 103 lone 0 53 - 0 - HB2 GLU 47 - HG2 GLU 103 lone 0 39 - 0 - HB2 GLN 25 - HG2 GLU 103 lone 0 32 - 0 - Peak 5766 from cnoeabs.peaks (2.04, 2.26, 36.01 ppm; 2.51 A): 3 out of 85 assignments used, quality = 0.98: * HB3 GLU 89 + HG2 GLU 89 OK 74 100 - 74 - 3.0=58, 1.8/5761=8...(15) HB2 GLU 89 + HG2 GLU 89 OK 74 100 - 74 - 3.0=58, 1.8/5761=8...(15) HB2 GLU 92 + HG3 GLU 92 OK 65 83 - 78 - 3.0=58, 1.8/5864=14...(15) HB3 GLU 111 - HG3 GLU 111 OK 40 62 - 65 - 3.0=58, 3.0/6596=6...(6) HB3 GLU 89 - HG3 GLU 92 OK 29 100 - 30 - 3.0/5749=5, 5755=5...(12) HB2 GLU 89 - HG3 GLU 92 OK 29 100 - 30 - 3.0/5749=5, 5761=5...(12) HB2 GLU 92 - HG2 GLU 89 OK 26 84 - 31 - 5858=7, 1.8/5864=5...(9) HB2 GLU 66 - HG2 GLU 69 OK 11 83 - 13 - 1.8/5013=2, ~5024=2...(5) HB2 GLU 89 - HG3 GLU 111 lone 6 96 - 7 - 3.0/5749=2, 5761=1, 4.0/1588=1 HB3 GLU 89 - HG3 GLU 111 lone 6 96 - 7 - 3.0/5749=2, 5761=1, 4.0/1588=1 HB2 GLU 92 - HG2 GLU 69 lone 6 63 - 10 - 5858=2, 1.8/5864=2 HB2 GLU 66 - HG3 GLU 92 lone 5 100 - 5 - HB2 GLU 66 - HG2 GLU 89 lone 5 100 - 5 - HB3 GLU 87 - HG2 GLU 89 lone 5 100 - 5 - HB3 GLU 87 - HG3 GLU 111 lone 4 96 - 4 - HB2 GLU 92 - HG2 GLU 103 lone 3 47 - 7 - 5858=1, 1.8/5864=1 HB2 GLU 92 - HG3 GLU 111 lone 3 76 - 3 - HB3 GLU 111 - HG2 GLU 89 lone 2 70 - 3 - HB2 GLU 66 - HG3 GLU 111 lone 2 96 - 2 - HB2 GLU 89 - HG2 GLU 69 lone 1 83 - 2 - HB3 GLU 89 - HG2 GLU 69 lone 1 83 - 2 - HB2 GLU 89 - HG2 GLU 103 lone 1 64 - 2 - HB3 GLU 89 - HG2 GLU 103 lone 1 64 - 2 - HB3 MET 67 - HG2 GLU 69 lone 1 73 - 2 - HB3 GLU 98 - HG2 GLU 89 lone 1 84 - 1 - HB3 GLU 87 - HG3 GLU 92 lone 1 100 - 1 - HB2 GLU 47 - HG2 GLU 69 lone 1 54 - 2 - HB3 GLN 85 - HG2 GLU 89 lone 1 100 - 1 - HB3 GLN 100 - HG2 GLU 69 lone 1 75 - 1 - HB3 GLU 111 - HG2 GLU 69 lone 1 51 - 2 - HB3 GLU 98 - HG3 GLU 92 lone 1 83 - 1 - HB3 GLN 100 - HG3 GLU 92 lone 1 95 - 1 - HB3 GLU 111 - HG3 GLU 92 lone 1 69 - 1 - HB3 GLN 100 - HG2 GLU 89 lone 1 96 - 1 - HB3 GLU 48 - HG3 GLU 92 lone 1 100 - 1 - HB2 GLU 48 - HG3 GLU 92 lone 1 100 - 1 - HB3 GLN 85 - HG3 GLU 111 lone 1 96 - 1 - HB3 GLU 87 - HG2 GLU 69 lone 1 83 - 1 - HB3 GLN 85 - HG3 GLU 92 lone 0 100 - 0 - HB2 GLU 48 - HG2 GLU 89 lone 0 100 - 0 - HB3 GLU 48 - HG2 GLU 89 lone 0 100 - 0 - HB3 GLN 100 - HG3 GLU 111 lone 0 89 - 0 - HB3 GLU 98 - HG2 GLU 69 lone 0 63 - 1 - HB2 GLU 66 - HG2 GLU 103 lone 0 64 - 1 - HB3 MET 67 - HG2 GLU 89 lone 0 94 - 0 - HB2 GLU 47 - HG3 GLU 111 lone 0 66 - 1 - HB2 GLU 47 - HG2 GLU 89 lone 0 73 - 0 - HB3 MET 67 - HG3 GLU 92 lone 0 93 - 0 - HB2 GLU 47 - HG3 GLU 92 lone 0 73 - 0 - HB3 GLU 98 - HG3 GLU 111 lone 0 76 - 0 - HB3 GLN 85 - HG2 GLU 69 lone 0 83 - 0 - HB2 GLU 48 - HG3 GLU 111 lone 0 96 - 0 - HB3 GLU 48 - HG3 GLU 111 lone 0 96 - 0 - HB VAL 117 - HG3 GLU 111 lone 0 90 - 0 - HB3 GLU 87 - HG2 GLU 103 lone 0 64 - 0 - HB VAL 117 - HG2 GLU 89 lone 0 97 - 0 - HB3 MET 67 - HG3 GLU 111 lone 0 87 - 0 - HB VAL 117 - HG3 GLU 92 lone 0 96 - 0 - HG3 GLU 52 - HG2 GLU 89 lone 0 99 - 0 - HB2 GLU 48 - HG2 GLU 69 lone 0 83 - 0 - HB3 GLU 48 - HG2 GLU 69 lone 0 83 - 0 - HG3 GLU 52 - HG3 GLU 92 lone 0 99 - 0 - HB2 MET 1 - HG2 GLU 89 lone 0 92 - 0 - HB2 MET 1 - HG3 GLU 111 lone 0 84 - 0 - HB2 GLN 25 - HG2 GLU 89 lone 0 61 - 0 - HB VAL 117 - HG2 GLU 69 lone 0 77 - 0 - HB2 MET 1 - HG3 GLU 92 lone 0 91 - 0 - HG3 GLU 52 - HG3 GLU 111 lone 0 94 - 0 - HB3 GLN 85 - HG2 GLU 103 lone 0 64 - 0 - HG3 GLU 52 - HG2 GLU 69 lone 0 81 - 0 - HB3 GLU 111 - HG2 GLU 103 lone 0 37 - 0 - HB3 GLU 98 - HG2 GLU 103 lone 0 47 - 0 - HB2 MET 1 - HG2 GLU 69 lone 0 71 - 0 - HB3 GLN 100 - HG2 GLU 103 lone 0 57 - 0 - HB2 GLN 25 - HG3 GLU 111 lone 0 55 - 0 - HB2 GLU 48 - HG2 GLU 103 lone 0 64 - 0 - HB3 GLU 48 - HG2 GLU 103 lone 0 64 - 0 - HB2 GLN 25 - HG3 GLU 92 lone 0 61 - 0 - HG3 GLU 52 - HG2 GLU 103 lone 0 62 - 0 - HB VAL 117 - HG2 GLU 103 lone 0 58 - 0 - HB3 MET 67 - HG2 GLU 103 lone 0 55 - 0 - HB2 GLN 25 - HG2 GLU 69 lone 0 44 - 0 - HB2 MET 1 - HG2 GLU 103 lone 0 53 - 0 - HB2 GLU 47 - HG2 GLU 103 lone 0 39 - 0 - HB2 GLN 25 - HG2 GLU 103 lone 0 32 - 0 - Peak 5767 from cnoeabs.peaks (2.26, 2.26, 36.01 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG2 GLU 89 + HG2 GLU 89 OK 100 100 - 100 HG3 GLU 92 + HG3 GLU 92 OK 100 100 - 100 HG3 GLU 111 + HG3 GLU 111 OK 92 92 - 100 HG2 GLU 69 + HG2 GLU 69 OK 71 71 - 100 HG2 GLU 103 + HG2 GLU 103 OK 58 58 - 100 Peak 5768 from cnoeabs.peaks (2.31, 2.26, 36.01 ppm; 2.40 A): 3 out of 3 assignments used, quality = 1.00: * HG3 GLU 89 + HG2 GLU 89 OK 100 100 - 100 - 1.8=100 HG2 GLU 92 + HG3 GLU 92 OK 98 98 - 100 - 1.8=100 HG3 GLU 103 + HG2 GLU 103 OK 49 49 - 100 - 1.8=100 Peak 5769 from cnoeabs.peaks (8.22, 2.31, 36.01 ppm; 3.59 A): 2 out of 30 assignments used, quality = 0.87: * H GLU 89 + HG3 GLU 89 OK 73 100 - 73 - 5.2=33, 3.0/5750=13...(14) H GLU 89 + HG2 GLU 92 OK 50 97 - 51 - 1588/1.8=9, 1589=9...(16) H ILE 15 - HG3 GLU 13 lone 7 69 - 10 - 4.6/67=9 H GLU 111 - HG3 GLU 89 lone 6 96 - 7 - 1732/1.8=2, 1730/3.0=1 H GLU 112 - HG3 GLU 89 lone 5 84 - 5 - 10402/10362=1, 708/1.8=1 H GLU 89 - HG3 GLU 13 lone 4 100 - 4 - H GLU 111 - HG2 GLU 92 lone 2 91 - 3 - H GLU 112 - HG3 GLU 48 lone 2 70 - 3 - 2184/5.1=1 H GLU 89 - HG3 GLU 48 lone 2 90 - 2 - H GLU 89 - HG3 GLU 103 lone 2 47 - 5 - H GLU 112 - HG2 GLU 92 lone 2 78 - 2 - H ILE 15 - HG2 GLU 92 lone 2 64 - 3 - 4.6/67=2 H GLU 112 - HG3 GLU 13 lone 2 84 - 2 - H ASP 84 - HG3 GLU 89 lone 1 73 - 2 - H ILE 15 - HG3 GLU 89 lone 1 70 - 2 - H LEU 38 - HG3 GLU 89 lone 1 65 - 1 - H GLU 111 - HG3 GLU 48 lone 1 83 - 1 - H GLU 111 - HG3 GLU 13 lone 1 95 - 1 - H LEU 38 - HG2 GLU 92 lone 1 61 - 1 - H ASP 84 - HG2 GLU 92 lone 1 68 - 1 - H GLU 112 - HG3 GLU 103 lone 1 33 - 2 - H GLU 111 - HG3 GLU 103 lone 1 41 - 1 - H ASP 84 - HG3 GLU 13 lone 0 73 - 1 - H ILE 15 - HG3 GLU 48 lone 0 57 - 1 - H LEU 38 - HG3 GLU 13 lone 0 65 - 1 - H ASP 84 - HG3 GLU 48 lone 0 60 - 0 - H LEU 38 - HG3 GLU 48 lone 0 53 - 0 - H ILE 15 - HG3 GLU 103 lone 0 26 - 1 - H ASP 84 - HG3 GLU 103 lone 0 28 - 1 - H LEU 38 - HG3 GLU 103 lone 0 24 - 1 - Peak 5770 from cnoeabs.peaks (4.15, 2.31, 36.01 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 89 + HG3 GLU 89 OK 100 100 - 100 - 3.8=100 Peak 5771 from cnoeabs.peaks (2.04, 2.31, 36.01 ppm; 2.40 A): 5 out of 85 assignments used, quality = 0.99: * HB2 GLU 89 + HG3 GLU 89 OK 69 100 - 69 - 3.0=51, 5761/1.8=7...(12) HB3 GLU 89 + HG3 GLU 89 OK 69 100 - 69 - 3.0=51, 5761/1.8=7...(12) HB3 GLU 48 + HG3 GLU 48 OK 57 90 - 63 - 3.0=51, 4089/1.8=11...(5) HB2 GLU 48 + HG3 GLU 48 OK 57 90 - 63 - 3.0=51, 4089/1.8=11...(5) HB2 GLU 92 + HG2 GLU 92 OK 57 78 - 72 - 3.0=51, 5858/1.8=12...(13) HB3 GLU 89 - HG2 GLU 92 OK 27 97 - 28 - 5756=4, 3.0/5750=3...(13) HB2 GLU 89 - HG2 GLU 92 OK 27 97 - 28 - 5756=4, 3.0/5750=3...(13) HB2 GLU 92 - HG3 GLU 89 OK 22 84 - 26 - 1.8/5863=5, 5858/1.8=4...(10) HB2 GLU 92 - HG3 GLU 13 OK 10 84 - 12 - 1.8/5863=2, 5857=2...(6) HB3 GLU 87 - HG3 GLU 89 lone 4 100 - 4 - HB2 GLU 66 - HG2 GLU 92 lone 4 97 - 4 - HB2 GLU 66 - HG3 GLU 89 lone 4 100 - 4 - HB2 GLU 47 - HG3 GLU 48 lone 3 60 - 4 - 4.6/1313=3 HB3 GLU 98 - HG3 GLU 13 lone 2 84 - 3 - HB2 GLU 89 - HG3 GLU 13 lone 2 100 - 2 - HB3 GLU 89 - HG3 GLU 13 lone 2 100 - 2 - HB2 GLU 92 - HG3 GLU 103 lone 2 33 - 5 - 1.8/5863=1 HB2 GLU 92 - HG3 GLU 48 lone 2 70 - 2 - HB3 GLU 111 - HG3 GLU 89 lone 1 70 - 2 - HB2 GLU 89 - HG3 GLU 48 lone 1 90 - 1 - HB3 GLU 89 - HG3 GLU 48 lone 1 90 - 1 - HB2 GLU 66 - HG3 GLU 13 lone 1 100 - 1 - HB3 GLN 85 - HG3 GLU 89 lone 1 100 - 1 - HB3 GLU 98 - HG3 GLU 89 lone 1 84 - 1 - HB3 GLU 87 - HG2 GLU 92 lone 1 97 - 1 - HB3 GLN 85 - HG3 GLU 13 lone 1 100 - 1 - HB3 GLU 48 - HG2 GLU 92 lone 1 97 - 1 - HB2 GLU 48 - HG2 GLU 92 lone 1 97 - 1 - HB3 GLU 89 - HG3 GLU 103 lone 1 47 - 2 - HB2 GLU 89 - HG3 GLU 103 lone 1 47 - 2 - HB3 GLN 100 - HG3 GLU 13 lone 1 95 - 1 - HB3 GLN 100 - HG2 GLU 92 lone 1 91 - 1 - HB3 GLU 87 - HG3 GLU 13 lone 1 100 - 1 - HB3 GLU 98 - HG2 GLU 92 lone 1 78 - 1 - HB3 GLN 100 - HG3 GLU 89 lone 1 96 - 1 - HB2 GLU 48 - HG3 GLU 89 lone 1 100 - 0 - HB3 GLU 48 - HG3 GLU 89 lone 1 100 - 0 - HB3 GLU 111 - HG2 GLU 92 lone 1 64 - 1 - HB2 GLU 66 - HG3 GLU 48 lone 0 90 - 0 - HB3 GLN 85 - HG2 GLU 92 lone 0 97 - 0 - HB2 GLU 47 - HG3 GLU 89 lone 0 73 - 1 - HB3 GLU 48 - HG3 GLU 13 lone 0 100 - 0 - HB2 GLU 48 - HG3 GLU 13 lone 0 100 - 0 - HB2 GLU 47 - HG2 GLU 92 lone 0 68 - 0 - HB3 MET 67 - HG3 GLU 89 lone 0 94 - 0 - HB VAL 117 - HG3 GLU 13 lone 0 97 - 0 - HB3 GLU 87 - HG3 GLU 48 lone 0 90 - 0 - HB3 GLN 85 - HG3 GLU 48 lone 0 90 - 0 - HB3 GLU 111 - HG3 GLU 48 lone 0 57 - 0 - HB2 GLU 47 - HG3 GLU 13 lone 0 73 - 0 - HB VAL 117 - HG3 GLU 89 lone 0 97 - 0 - HB3 MET 67 - HG2 GLU 92 lone 0 89 - 0 - HB2 GLU 66 - HG3 GLU 103 lone 0 47 - 0 - HB VAL 117 - HG2 GLU 92 lone 0 93 - 0 - HB2 GLN 25 - HG3 GLU 89 lone 0 61 - 0 - HB VAL 117 - HG3 GLU 48 lone 0 85 - 0 - HG3 GLU 52 - HG3 GLU 89 lone 0 99 - 0 - HB3 MET 67 - HG3 GLU 48 lone 0 81 - 0 - HB3 MET 67 - HG3 GLU 13 lone 0 94 - 0 - HB3 GLU 98 - HG3 GLU 48 lone 0 70 - 0 - HB3 GLN 100 - HG3 GLU 48 lone 0 83 - 0 - HB3 GLU 111 - HG3 GLU 13 lone 0 69 - 0 - HG3 GLU 52 - HG2 GLU 92 lone 0 96 - 0 - HB2 MET 1 - HG3 GLU 89 lone 0 92 - 0 - HG3 GLU 52 - HG3 GLU 48 lone 0 89 - 0 - HB2 GLN 25 - HG3 GLU 13 lone 0 61 - 0 - HG3 GLU 52 - HG3 GLU 13 lone 0 99 - 0 - HB3 GLU 87 - HG3 GLU 103 lone 0 47 - 0 - HB2 MET 1 - HG2 GLU 92 lone 0 87 - 0 - HB2 MET 1 - HG3 GLU 13 lone 0 92 - 0 - HB2 MET 1 - HG3 GLU 48 lone 0 78 - 0 - HB3 GLN 85 - HG3 GLU 103 lone 0 47 - 0 - HB2 GLN 25 - HG2 GLU 92 lone 0 57 - 0 - HB2 GLU 48 - HG3 GLU 103 lone 0 47 - 0 - HB3 GLU 48 - HG3 GLU 103 lone 0 47 - 0 - HB2 GLN 25 - HG3 GLU 48 lone 0 50 - 0 - HB3 GLU 98 - HG3 GLU 103 lone 0 33 - 0 - HB3 GLN 100 - HG3 GLU 103 lone 0 41 - 0 - HG3 GLU 52 - HG3 GLU 103 lone 0 45 - 0 - HB VAL 117 - HG3 GLU 103 lone 0 42 - 0 - HB3 MET 67 - HG3 GLU 103 lone 0 40 - 0 - HB2 MET 1 - HG3 GLU 103 lone 0 38 - 0 - HB3 GLU 111 - HG3 GLU 103 lone 0 26 - 0 - HB2 GLU 47 - HG3 GLU 103 lone 0 28 - 0 - HB2 GLN 25 - HG3 GLU 103 lone 0 23 - 0 - Peak 5772 from cnoeabs.peaks (2.04, 2.31, 36.01 ppm; 2.40 A): 5 out of 85 assignments used, quality = 0.99: HB2 GLU 89 + HG3 GLU 89 OK 69 100 - 69 - 3.0=51, 5761/1.8=7...(12) * HB3 GLU 89 + HG3 GLU 89 OK 69 100 - 69 - 3.0=51, 5761/1.8=7...(12) HB3 GLU 48 + HG3 GLU 48 OK 57 90 - 63 - 3.0=51, 4089/1.8=11...(5) HB2 GLU 48 + HG3 GLU 48 OK 57 90 - 63 - 3.0=51, 4089/1.8=11...(5) HB2 GLU 92 + HG2 GLU 92 OK 57 78 - 72 - 3.0=51, 5858/1.8=12...(13) HB3 GLU 89 - HG2 GLU 92 OK 27 97 - 28 - 5756=4, 3.0/5750=3...(13) HB2 GLU 89 - HG2 GLU 92 OK 27 97 - 28 - 5756=4, 3.0/5750=3...(13) HB2 GLU 92 - HG3 GLU 89 OK 22 84 - 26 - 1.8/5863=5, 5858/1.8=4...(10) HB2 GLU 92 - HG3 GLU 13 OK 10 84 - 12 - 1.8/5863=2, 5857=2...(6) HB3 GLU 87 - HG3 GLU 89 lone 4 100 - 4 - HB2 GLU 66 - HG2 GLU 92 lone 4 97 - 4 - HB2 GLU 66 - HG3 GLU 89 lone 4 100 - 4 - HB2 GLU 47 - HG3 GLU 48 lone 3 60 - 4 - 4.6/1313=3 HB3 GLU 98 - HG3 GLU 13 lone 2 84 - 3 - HB2 GLU 89 - HG3 GLU 13 lone 2 100 - 2 - HB3 GLU 89 - HG3 GLU 13 lone 2 100 - 2 - HB2 GLU 92 - HG3 GLU 103 lone 2 33 - 5 - 1.8/5863=1 HB2 GLU 92 - HG3 GLU 48 lone 2 70 - 2 - HB3 GLU 111 - HG3 GLU 89 lone 1 70 - 2 - HB2 GLU 89 - HG3 GLU 48 lone 1 90 - 1 - HB3 GLU 89 - HG3 GLU 48 lone 1 90 - 1 - HB2 GLU 66 - HG3 GLU 13 lone 1 100 - 1 - HB3 GLN 85 - HG3 GLU 89 lone 1 100 - 1 - HB3 GLU 98 - HG3 GLU 89 lone 1 84 - 1 - HB3 GLU 87 - HG2 GLU 92 lone 1 97 - 1 - HB3 GLN 85 - HG3 GLU 13 lone 1 100 - 1 - HB3 GLU 48 - HG2 GLU 92 lone 1 97 - 1 - HB2 GLU 48 - HG2 GLU 92 lone 1 97 - 1 - HB3 GLU 89 - HG3 GLU 103 lone 1 47 - 2 - HB2 GLU 89 - HG3 GLU 103 lone 1 47 - 2 - HB3 GLN 100 - HG3 GLU 13 lone 1 95 - 1 - HB3 GLN 100 - HG2 GLU 92 lone 1 91 - 1 - HB3 GLU 87 - HG3 GLU 13 lone 1 100 - 1 - HB3 GLU 98 - HG2 GLU 92 lone 1 78 - 1 - HB3 GLN 100 - HG3 GLU 89 lone 1 96 - 1 - HB2 GLU 48 - HG3 GLU 89 lone 1 100 - 0 - HB3 GLU 48 - HG3 GLU 89 lone 1 100 - 0 - HB3 GLU 111 - HG2 GLU 92 lone 1 64 - 1 - HB2 GLU 66 - HG3 GLU 48 lone 0 90 - 0 - HB3 GLN 85 - HG2 GLU 92 lone 0 97 - 0 - HB2 GLU 47 - HG3 GLU 89 lone 0 73 - 1 - HB3 GLU 48 - HG3 GLU 13 lone 0 100 - 0 - HB2 GLU 48 - HG3 GLU 13 lone 0 100 - 0 - HB2 GLU 47 - HG2 GLU 92 lone 0 68 - 0 - HB3 MET 67 - HG3 GLU 89 lone 0 94 - 0 - HB VAL 117 - HG3 GLU 13 lone 0 97 - 0 - HB3 GLU 87 - HG3 GLU 48 lone 0 90 - 0 - HB3 GLN 85 - HG3 GLU 48 lone 0 90 - 0 - HB3 GLU 111 - HG3 GLU 48 lone 0 57 - 0 - HB2 GLU 47 - HG3 GLU 13 lone 0 73 - 0 - HB VAL 117 - HG3 GLU 89 lone 0 97 - 0 - HB3 MET 67 - HG2 GLU 92 lone 0 89 - 0 - HB2 GLU 66 - HG3 GLU 103 lone 0 47 - 0 - HB VAL 117 - HG2 GLU 92 lone 0 93 - 0 - HB2 GLN 25 - HG3 GLU 89 lone 0 61 - 0 - HB VAL 117 - HG3 GLU 48 lone 0 85 - 0 - HG3 GLU 52 - HG3 GLU 89 lone 0 99 - 0 - HB3 MET 67 - HG3 GLU 48 lone 0 81 - 0 - HB3 MET 67 - HG3 GLU 13 lone 0 94 - 0 - HB3 GLU 98 - HG3 GLU 48 lone 0 70 - 0 - HB3 GLN 100 - HG3 GLU 48 lone 0 83 - 0 - HB3 GLU 111 - HG3 GLU 13 lone 0 69 - 0 - HG3 GLU 52 - HG2 GLU 92 lone 0 96 - 0 - HB2 MET 1 - HG3 GLU 89 lone 0 92 - 0 - HG3 GLU 52 - HG3 GLU 48 lone 0 89 - 0 - HB2 GLN 25 - HG3 GLU 13 lone 0 61 - 0 - HG3 GLU 52 - HG3 GLU 13 lone 0 99 - 0 - HB3 GLU 87 - HG3 GLU 103 lone 0 47 - 0 - HB2 MET 1 - HG2 GLU 92 lone 0 87 - 0 - HB2 MET 1 - HG3 GLU 13 lone 0 92 - 0 - HB2 MET 1 - HG3 GLU 48 lone 0 78 - 0 - HB3 GLN 85 - HG3 GLU 103 lone 0 47 - 0 - HB2 GLN 25 - HG2 GLU 92 lone 0 57 - 0 - HB2 GLU 48 - HG3 GLU 103 lone 0 47 - 0 - HB3 GLU 48 - HG3 GLU 103 lone 0 47 - 0 - HB2 GLN 25 - HG3 GLU 48 lone 0 50 - 0 - HB3 GLU 98 - HG3 GLU 103 lone 0 33 - 0 - HB3 GLN 100 - HG3 GLU 103 lone 0 41 - 0 - HG3 GLU 52 - HG3 GLU 103 lone 0 45 - 0 - HB VAL 117 - HG3 GLU 103 lone 0 42 - 0 - HB3 MET 67 - HG3 GLU 103 lone 0 40 - 0 - HB2 MET 1 - HG3 GLU 103 lone 0 38 - 0 - HB3 GLU 111 - HG3 GLU 103 lone 0 26 - 0 - HB2 GLU 47 - HG3 GLU 103 lone 0 28 - 0 - HB2 GLN 25 - HG3 GLU 103 lone 0 23 - 0 - Peak 5773 from cnoeabs.peaks (2.26, 2.31, 36.01 ppm; 2.40 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLU 89 + HG3 GLU 89 OK 100 100 - 100 - 1.8=100 HG3 GLU 92 + HG2 GLU 92 OK 97 97 - 100 - 1.8=100 HG2 GLU 103 - HG3 GLU 103 OK 42 42 - 100 - 1.8=100 Peak 5774 from cnoeabs.peaks (2.31, 2.31, 36.01 ppm; diagonal): 4 out of 5 assignments used, quality = 1.00: * HG3 GLU 89 + HG3 GLU 89 OK 100 100 - 100 HG3 GLU 13 + HG3 GLU 13 OK 100 100 - 100 HG2 GLU 92 + HG2 GLU 92 OK 95 95 - 100 HG3 GLU 48 + HG3 GLU 48 OK 83 83 - 100 HG3 GLU 103 - HG3 GLU 103 OK 35 35 - 100 Peak 5775 from cnoeabs.peaks (8.05, 4.21, 56.94 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 90 + HA LEU 90 OK 100 100 - 100 - 3.0=100 Peak 5776 from cnoeabs.peaks (4.21, 4.21, 56.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 90 + HA LEU 90 OK 100 100 - 100 Peak 5777 from cnoeabs.peaks (1.78, 4.21, 56.94 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 90 + HA LEU 90 OK 100 100 - 100 - 3.0=100 Peak 5778 from cnoeabs.peaks (1.72, 4.21, 56.94 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 90 + HA LEU 90 OK 100 100 - 100 - 3.0=100 Peak 5779 from cnoeabs.peaks (1.64, 4.21, 56.94 ppm; 4.03 A): 1 out of 19 assignments used, quality = 0.99: * HG LEU 90 + HA LEU 90 OK 99 100 - 99 - 4.3=84, 2.1/5804=41...(16) HB3 LEU 64 - HA LEU 90 lone 7 92 - 8 - 1594/3.0=2, 570/3.6=2, ~1592=1 HG LEU 64 - HA LEU 90 lone 7 100 - 7 - 1594/3.0=2, 7760/3.6=2 HD3 LYS 65 - HA LEU 90 lone 6 87 - 8 - 1594/3.0=2, ~4833=1 HD2 LYS 65 - HA LEU 90 lone 6 77 - 7 - 1594/3.0=1, ~4833=1, ~1594=1 HB2 LEU 82 - HA LEU 90 lone 5 65 - 8 - 9967/3.9=6, 570/3.6=1 HG LEU 114 - HA LEU 90 lone 2 87 - 2 - HG LEU 63 - HA LEU 90 lone 2 61 - 3 - HB ILE 116 - HA LEU 90 lone 1 94 - 1 - HD3 LYS 49 - HA LEU 90 lone 1 81 - 1 - HD2 LYS 49 - HA LEU 90 lone 1 81 - 1 - HB ILE 5 - HA LEU 90 lone 1 97 - 1 - HD2 LYS 115 - HA LEU 90 lone 1 70 - 1 - HG2 LYS 16 - HA LEU 90 lone 1 87 - 1 - HD2 LYS 77 - HA LEU 90 lone 1 77 - 1 - HD3 LYS 77 - HA LEU 90 lone 1 73 - 1 - HB2 ARG 30 - HA LEU 90 lone 1 77 - 1 - HB2 GLU 52 - HA LEU 90 lone 1 70 - 1 - HG3 LYS 40 - HA LEU 90 lone 1 61 - 1 - Peak 5780 from cnoeabs.peaks (0.90, 4.21, 56.94 ppm; 3.27 A): 1 out of 7 assignments used, quality = 0.93: * QD1 LEU 90 + HA LEU 90 OK 93 100 - 93 - 3.9=58, 2.1/5811=29...(16) QD1 LEU 70 - HA LEU 90 lone 3 100 - 3 - QD2 LEU 70 - HA LEU 90 lone 2 100 - 2 - QG2 VAL 104 - HA LEU 90 lone 2 61 - 3 - QD2 LEU 38 - HA LEU 90 lone 2 81 - 2 - QG2 VAL 29 - HA LEU 90 lone 1 97 - 1 - HG13 ILE 54 - HA LEU 90 lone 1 96 - 1 - Peak 5781 from cnoeabs.peaks (0.88, 4.21, 56.94 ppm; 3.27 A): 1 out of 8 assignments used, quality = 0.92: * QD2 LEU 90 + HA LEU 90 OK 92 100 - 92 - 3.9=58, 2.1/5804=31...(17) QG2 VAL 107 - HA LEU 90 lone 8 81 - 9 - 10296/2149=2, 1596/3.0=2...(5) QG2 VAL 104 - HA LEU 90 lone 5 100 - 5 - 10089/8188=1, 10088/8186=1 QD2 LEU 38 - HA LEU 90 lone 3 97 - 3 - 1596/3.0=1 QG1 VAL 32 - HA LEU 90 lone 1 77 - 2 - QG2 VAL 29 - HA LEU 90 lone 1 81 - 1 - QG2 VAL 117 - HA LEU 90 lone 1 70 - 1 - QG2 THR 9 - HA LEU 90 lone 1 61 - 1 - Peak 5782 from cnoeabs.peaks (8.05, 1.78, 42.46 ppm; 4.01 A): 1 out of 7 assignments used, quality = 1.00: * H LEU 90 + HB2 LEU 90 OK 100 100 - 100 - 4.0=98, 1595/3.1=24...(12) H ASP 109 - HB2 LEU 90 OK 12 90 - 13 - 10354/3.1=3, 693/3.0=3...(6) H LYS 65 - HB2 LEU 90 OK 12 94 - 13 - 5803/3.1=3, 5810/3.1=3...(5) H GLN 122 - HB2 LEU 90 OK 11 97 - 11 - 566/4.6=3, 5810/3.1=3...(5) H THR 9 - HB2 LEU 90 lone 5 100 - 5 - 5803/3.1=1 H VAL 22 - HB2 LEU 90 lone 2 92 - 2 - H HIS 131 - HB2 LEU 90 lone 1 87 - 1 - Peak 5783 from cnoeabs.peaks (4.21, 1.78, 42.46 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 90 + HB2 LEU 90 OK 100 100 - 100 - 3.0=100 Peak 5784 from cnoeabs.peaks (1.78, 1.78, 42.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 90 + HB2 LEU 90 OK 100 100 - 100 Peak 5785 from cnoeabs.peaks (1.72, 1.78, 42.46 ppm; 3.22 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 90 + HB2 LEU 90 OK 100 100 - 100 - 1.8=100 Peak 5786 from cnoeabs.peaks (1.64, 1.78, 42.46 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 90 + HB2 LEU 90 OK 100 100 - 100 - 3.0=100 Peak 5787 from cnoeabs.peaks (0.90, 1.78, 42.46 ppm; 3.46 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 90 + HB2 LEU 90 OK 100 100 - 100 - 3.1=100 Peak 5788 from cnoeabs.peaks (0.88, 1.78, 42.46 ppm; 3.46 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 90 + HB2 LEU 90 OK 100 100 - 100 - 3.1=100 Peak 5789 from cnoeabs.peaks (8.05, 1.72, 42.46 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 90 + HB3 LEU 90 OK 100 100 - 100 - 4.0=100 Peak 5790 from cnoeabs.peaks (4.21, 1.72, 42.46 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 90 + HB3 LEU 90 OK 100 100 - 100 - 3.0=100 Peak 5791 from cnoeabs.peaks (1.78, 1.72, 42.46 ppm; 3.14 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 90 + HB3 LEU 90 OK 100 100 - 100 - 1.8=100 Peak 5792 from cnoeabs.peaks (1.72, 1.72, 42.46 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 90 + HB3 LEU 90 OK 100 100 - 100 Peak 5793 from cnoeabs.peaks (1.64, 1.72, 42.46 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 90 + HB3 LEU 90 OK 100 100 - 100 - 3.0=100 Peak 5794 from cnoeabs.peaks (0.90, 1.72, 42.46 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 90 + HB3 LEU 90 OK 100 100 - 100 - 3.1=100 Peak 5795 from cnoeabs.peaks (0.88, 1.72, 42.46 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 90 + HB3 LEU 90 OK 100 100 - 100 - 3.1=100 Peak 5796 from cnoeabs.peaks (8.05, 1.64, 26.77 ppm; 3.87 A): 2 out of 21 assignments used, quality = 0.95: * H LEU 90 + HG LEU 90 OK 91 100 - 91 - 5.3=40, 1595/2.1=28...(10) H LYS 65 + HG LEU 64 OK 45 92 - 49 - 397/2.1=11, 393/3.0=10...(8) H LYS 65 - HG LEU 114 OK 12 64 - 19 - 2088/3.7=4, ~8127=3...(7) H LYS 65 - HG LEU 90 OK 12 94 - 13 - 5803/2.1=3, 5810/2.1=3...(4) H THR 9 - HG LEU 64 OK 11 99 - 11 - 396/2.1=4, 397/2.1=3...(5) H LEU 90 - HG LEU 64 OK 11 99 - 11 - 1594=3, 1592/3.0=2...(5) H ASP 109 - HG LEU 90 OK 10 90 - 11 - 10354/2.1=4, 5803/2.1=3...(4) H GLN 122 - HG LEU 90 lone 8 97 - 9 - 5810/2.1=3, 5803/2.1=2...(4) H THR 9 - HG LEU 90 lone 5 100 - 5 - 5803/2.1=1, 5782/3.0=1 H THR 9 - HG LEU 114 lone 2 72 - 3 - 396/2.1=2 H VAL 22 - HG LEU 90 lone 2 92 - 2 - H LEU 90 - HG LEU 114 lone 2 73 - 2 - H ASP 109 - HG LEU 64 lone 2 88 - 2 - H VAL 22 - HG LEU 64 lone 1 90 - 1 - H HIS 131 - HG LEU 90 lone 1 87 - 1 - H GLN 122 - HG LEU 64 lone 1 96 - 1 - H ASP 109 - HG LEU 114 lone 1 60 - 1 - H GLN 122 - HG LEU 114 lone 0 68 - 1 - H VAL 22 - HG LEU 114 lone 0 62 - 1 - H HIS 131 - HG LEU 64 lone 0 85 - 0 - H HIS 131 - HG LEU 114 lone 0 57 - 0 - Peak 5797 from cnoeabs.peaks (4.21, 1.64, 26.77 ppm; 4.58 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 90 + HG LEU 90 OK 100 100 - 100 - 4.3=100 Peak 5798 from cnoeabs.peaks (1.78, 1.64, 26.77 ppm; 2.93 A): 2 out of 21 assignments used, quality = 1.00: * HB2 LEU 90 + HG LEU 90 OK 99 100 - 99 - 3.0=96, 5805/2.1=25...(12) HB2 LEU 64 + HG LEU 64 OK 80 82 - 97 - 3.0=96, 4781/2.1=12...(9) HG12 ILE 18 - HG LEU 114 OK 27 60 - 45 - 11629/2.1=19...(8) HB2 LYS 19 - HG LEU 64 lone 7 85 - 8 - ~11520=2, ~10784=2...(4) HB2 LEU 64 - HG LEU 114 poor 7 55 - 12 - 11629/2.1=3, 8098/3.7=2...(6) HB VAL 32 - HG LEU 64 lone 4 99 - 4 - ~10931=2, 1417/5.2=1 HB2 LEU 90 - HG LEU 64 lone 3 99 - 4 - HB3 GLN 28 - HG LEU 90 lone 2 97 - 2 - HB2 LEU 64 - HG LEU 90 lone 2 84 - 3 - HB2 LEU 55 - HG LEU 90 lone 2 77 - 2 - HG12 ILE 18 - HG LEU 64 lone 2 88 - 2 - HB3 GLN 28 - HG LEU 114 lone 2 68 - 2 - HB2 LYS 19 - HG LEU 90 lone 2 87 - 2 - HB2 LEU 90 - HG LEU 114 lone 1 73 - 1 - HB2 LYS 19 - HG LEU 114 lone 1 57 - 2 - HB VAL 32 - HG LEU 90 lone 1 100 - 1 - HB3 GLN 28 - HG LEU 64 lone 1 96 - 1 - HB VAL 32 - HG LEU 114 lone 1 73 - 1 - HB2 LEU 55 - HG LEU 114 lone 0 49 - 1 - HG12 ILE 18 - HG LEU 90 lone 0 90 - 0 - HB2 LEU 55 - HG LEU 64 lone 0 75 - 1 - Peak 5799 from cnoeabs.peaks (1.72, 1.64, 26.77 ppm; 3.12 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 90 + HG LEU 90 OK 100 100 - 100 - 3.0=100 HB2 LEU 114 + HG LEU 114 OK 55 55 - 100 - 3.0=100 Peak 5800 from cnoeabs.peaks (1.64, 1.64, 26.77 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG LEU 90 + HG LEU 90 OK 100 100 - 100 HG LEU 64 + HG LEU 64 OK 99 99 - 100 HG LEU 114 + HG LEU 114 OK 57 57 - 100 Peak 5801 from cnoeabs.peaks (0.90, 1.64, 26.77 ppm; 3.07 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 90 + HG LEU 90 OK 100 100 - 100 - 2.1=100 Peak 5802 from cnoeabs.peaks (0.88, 1.64, 26.77 ppm; 3.07 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 90 + HG LEU 90 OK 100 100 - 100 - 2.1=100 Peak 5803 from cnoeabs.peaks (8.05, 0.90, 24.86 ppm; 4.17 A): 1 out of 7 assignments used, quality = 0.99: * H LEU 90 + QD1 LEU 90 OK 99 100 - 99 - 4.4=84, 3.0/5804=37...(12) H LYS 65 - QD1 LEU 90 OK 16 94 - 17 - 5.0/10981=4, 5782/3.1=3...(5) H ASP 109 - QD1 LEU 90 OK 13 90 - 15 - 10354/2.1=4, 5782/3.1=3...(7) H GLN 122 - QD1 LEU 90 OK 10 97 - 10 - 566/4.6=4, 5782/3.1=2 H THR 9 - QD1 LEU 90 lone 7 100 - 7 - 1858/11306=1, 5782/3.1=1 H VAL 22 - QD1 LEU 90 lone 2 92 - 2 - H HIS 131 - QD1 LEU 90 lone 1 87 - 1 - Peak 5804 from cnoeabs.peaks (4.21, 0.90, 24.86 ppm; 3.27 A): 1 out of 2 assignments used, quality = 0.93: * HA LEU 90 + QD1 LEU 90 OK 93 100 - 93 - 3.9=58, 5781/2.1=27...(16) HB THR 108 - QD1 LEU 90 lone 5 84 - 6 - ~10322=2, 11189/2.1=1 Peak 5805 from cnoeabs.peaks (1.78, 0.90, 24.86 ppm; 3.08 A): 1 out of 7 assignments used, quality = 0.99: * HB2 LEU 90 + QD1 LEU 90 OK 99 100 - 99 - 3.1=96, 3.0/5804=21...(13) HB2 LEU 64 - QD1 LEU 90 lone 3 84 - 4 - 4.2/5803=1 HB3 GLN 28 - QD1 LEU 90 lone 3 97 - 3 - HB2 LEU 55 - QD1 LEU 90 lone 2 77 - 3 - HB2 LYS 19 - QD1 LEU 90 lone 2 87 - 2 - HB VAL 32 - QD1 LEU 90 lone 1 100 - 1 - HG12 ILE 18 - QD1 LEU 90 lone 0 90 - 1 - Peak 5806 from cnoeabs.peaks (1.72, 0.90, 24.86 ppm; 2.96 A): 2 out of 11 assignments used, quality = 0.97: * HB3 LEU 90 + QD1 LEU 90 OK 95 100 - 95 - 3.1=85, 1.8/5805=28...(11) HB2 LYS 106 + QD1 LEU 90 OK 41 98 - 42 - 2.9/11568=13...(11) HB3 LYS 106 - QD1 LEU 90 OK 40 96 - 42 - 2.9/11568=13...(11) HB3 LEU 82 - QD1 LEU 90 OK 28 81 - 35 - 3.0/10973=13...(9) HB3 LYS 94 - QD1 LEU 90 OK 15 84 - 18 - 3.0/10101=5, 3.9/10099=2...(8) HD2 LYS 39 - QD1 LEU 90 lone 2 70 - 3 - HD3 LYS 39 - QD1 LEU 90 lone 2 65 - 3 - HG2 ARG 118 - QD1 LEU 90 lone 1 97 - 1 - HB2 LEU 114 - QD1 LEU 90 lone 1 84 - 1 - HG12 ILE 15 - QD1 LEU 90 lone 0 99 - 0 - HG LEU 74 - QD1 LEU 90 lone 0 61 - 0 - Peak 5807 from cnoeabs.peaks (1.64, 0.90, 24.86 ppm; 2.90 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 90 + QD1 LEU 90 OK 100 100 - 100 - 2.1=100 Peak 5808 from cnoeabs.peaks (0.90, 0.90, 24.86 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 90 + QD1 LEU 90 OK 100 100 - 100 Peak 5809 from cnoeabs.peaks (0.88, 0.90, 24.86 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 90 + QD1 LEU 90 OK 100 100 - 100 - 2.1=100 Peak 5810 from cnoeabs.peaks (8.05, 0.88, 24.74 ppm; 4.29 A): 1 out of 7 assignments used, quality = 0.99: * H LEU 90 + QD2 LEU 90 OK 99 100 - 99 - 4.4=92, 3.0/5811=36...(14) H ASP 109 - QD2 LEU 90 OK 19 90 - 21 - 10354=4, 4.4/10322=3...(8) H GLN 122 - QD2 LEU 90 OK 16 97 - 16 - 2230/11579=5, 566/4.6=4...(4) H LYS 65 - QD2 LEU 90 OK 16 94 - 17 - 4.6/9696=5, 5782/3.1=3...(4) H THR 9 - QD2 LEU 90 lone 5 100 - 5 - 5782/3.1=1 H VAL 22 - QD2 LEU 90 lone 2 92 - 3 - H HIS 131 - QD2 LEU 90 lone 1 87 - 1 - Peak 5811 from cnoeabs.peaks (4.21, 0.88, 24.74 ppm; 3.38 A): 1 out of 2 assignments used, quality = 0.94: * HA LEU 90 + QD2 LEU 90 OK 94 100 - 94 - 3.9=64, 5780/2.1=31...(18) HB THR 108 - QD2 LEU 90 lone 8 84 - 9 - 2.1/10322=4, 4.0/689=2...(4) Peak 5812 from cnoeabs.peaks (1.78, 0.88, 24.74 ppm; 3.14 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 90 + QD2 LEU 90 OK 100 100 - 100 - 3.1=100 Peak 5813 from cnoeabs.peaks (1.72, 0.88, 24.74 ppm; 3.04 A): 3 out of 11 assignments used, quality = 0.99: * HB3 LEU 90 + QD2 LEU 90 OK 97 100 - 97 - 3.1=92, 3.0/5811=19...(10) HB2 LYS 106 + QD2 LEU 90 OK 47 98 - 48 - 3.0/10072=11...(14) HB3 LYS 106 + QD2 LEU 90 OK 46 96 - 48 - 3.0/10072=11...(14) HB3 LEU 82 - QD2 LEU 90 OK 24 81 - 30 - 1.8/9967=8, ~10973=6...(8) HB3 LYS 94 - QD2 LEU 90 OK 10 84 - 13 - ~10101=3, ~10977=2...(6) HD2 LYS 39 - QD2 LEU 90 lone 3 70 - 4 - 3.0/11038=1 HD3 LYS 39 - QD2 LEU 90 lone 2 65 - 4 - 3.0/11038=1 HB2 LEU 114 - QD2 LEU 90 lone 1 84 - 1 - HG2 ARG 118 - QD2 LEU 90 lone 1 97 - 1 - HG12 ILE 15 - QD2 LEU 90 lone 1 99 - 1 - HG LEU 74 - QD2 LEU 90 lone 0 61 - 0 - Peak 5814 from cnoeabs.peaks (1.64, 0.88, 24.74 ppm; 2.91 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 90 + QD2 LEU 90 OK 100 100 - 100 - 2.1=100 Peak 5815 from cnoeabs.peaks (0.90, 0.88, 24.74 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 90 + QD2 LEU 90 OK 100 100 - 100 - 2.1=100 Peak 5816 from cnoeabs.peaks (0.88, 0.88, 24.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 90 + QD2 LEU 90 OK 100 100 - 100 Peak 5817 from cnoeabs.peaks (7.94, 4.07, 59.13 ppm; 3.63 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 91 + HA GLU 91 OK 100 100 - 100 - 2.9=100 Peak 5818 from cnoeabs.peaks (4.07, 4.07, 59.13 ppm; diagonal): 2 out of 4 assignments used, quality = 1.00: * HA GLU 91 + HA GLU 91 OK 100 100 - 100 HA LYS 96 + HA LYS 96 OK 63 63 - 100 HA GLU 37 - HA GLU 37 OK 41 41 - 100 HA LYS 43 - HA LYS 43 OK 20 20 - 100 Peak 5819 from cnoeabs.peaks (2.13, 4.07, 59.13 ppm; 2.89 A): 1 out of 44 assignments used, quality = 0.97: * HB2 GLU 91 + HA GLU 91 OK 97 100 - 97 - 3.0=89, 1.8/5830=27...(15) HB3 GLU 92 - HA GLU 91 OK 12 65 - 18 - 4.0/574=10, 1599/2.9=2, ~1600=1 HB2 LEU 38 - HA GLU 37 poor 7 48 - 14 - 1234/3.6=10, ~9359=2 HB3 GLU 47 - HA GLU 91 lone 6 77 - 8 - 3.0/11350=2, 1.8/8091=1 HB2 GLU 119 - HA GLU 91 lone 5 96 - 6 - 7764/3.6=2, 5823/2.9=2 HB3 GLU 119 - HA GLU 91 lone 5 90 - 5 - 575/3.6=2, 1599/2.9=1 HB3 GLU 47 - HA GLU 37 lone 3 39 - 9 - 1.8/8091=2, 3.0/11350=1...(5) HB2 LEU 38 - HA LYS 96 lone 3 57 - 5 - 213/3.6=2, ~8048=1, 4.6/7795=1 HB VAL 107 - HA GLU 91 lone 3 94 - 3 - HB2 GLU 91 - HA LYS 96 lone 2 70 - 3 - HB VAL 107 - HA GLU 37 lone 2 51 - 3 - HG2 GLU 41 - HA LYS 96 lone 2 63 - 3 - 4.9/2046=2 HB3 GLU 47 - HA LYS 96 lone 1 47 - 3 - HG2 GLU 41 - HA GLU 37 lone 1 53 - 3 - 1234/3.6=1 HB2 LEU 38 - HA GLU 91 lone 1 90 - 1 - HB2 GLU 91 - HA GLU 37 lone 1 60 - 1 - HB3 GLU 92 - HA LYS 96 lone 1 39 - 2 - HB VAL 107 - HA LYS 96 lone 1 61 - 1 - HB2 GLU 119 - HA LYS 43 lone 1 28 - 2 - HG3 GLN 83 - HA GLU 91 lone 1 96 - 1 - HG3 GLN 83 - HA GLU 37 lone 1 53 - 1 - HB3 GLU 119 - HA LYS 43 lone 1 25 - 2 - HB2 GLU 21 - HA GLU 91 lone 0 94 - 0 - HG2 GLU 41 - HA GLU 91 lone 0 96 - 0 - HB2 GLU 119 - HA LYS 96 lone 0 63 - 1 - HB3 GLU 92 - HA GLU 37 lone 0 32 - 1 - HB3 GLU 119 - HA LYS 96 lone 0 57 - 1 - HB2 GLU 21 - HA LYS 43 lone 0 27 - 1 - 4.1/120=1 HG2 GLU 41 - HA LYS 43 lone 0 28 - 1 - HB2 GLU 119 - HA GLU 37 lone 0 53 - 0 - HG2 GLU 21 - HA GLU 91 lone 0 61 - 0 - HG3 GLN 83 - HA LYS 96 lone 0 63 - 0 - HB2 GLU 21 - HA LYS 96 lone 0 61 - 0 - HB3 GLU 119 - HA GLU 37 lone 0 48 - 0 - HB2 LEU 38 - HA LYS 43 lone 0 25 - 1 - HB2 GLU 91 - HA LYS 43 lone 0 32 - 1 - HG2 GLU 21 - HA LYS 96 lone 0 36 - 0 - HB2 GLU 21 - HA GLU 37 lone 0 51 - 0 - HB3 GLU 47 - HA LYS 43 lone 0 20 - 1 - HG2 GLU 21 - HA LYS 43 lone 0 15 - 1 - HB VAL 107 - HA LYS 43 lone 0 27 - 0 - HG3 GLN 83 - HA LYS 43 lone 0 28 - 0 - HG2 GLU 21 - HA GLU 37 lone 0 30 - 0 - HB3 GLU 92 - HA LYS 43 lone 0 16 - 1 - Peak 5820 from cnoeabs.peaks (2.07, 4.07, 59.13 ppm; 2.78 A): 3 out of 52 assignments used, quality = 0.95: * HB3 GLU 91 + HA GLU 91 OK 92 100 - 92 - 3.0=79, 3.0/5821=15...(14) HB2 LYS 94 + HA GLU 91 OK 26 100 - 26 - 1.8/8195=7, 8194=5...(10) HB2 GLU 92 + HA GLU 91 OK 12 73 - 16 - 4.0/574=9, 1600/2.9=2, ~1599=1 HB2 LYS 94 - HA LYS 96 poor 9 70 - 13 - 4.4/8197=3, 1.8/8195=3...(5) HB2 GLU 47 - HA GLU 91 lone 6 84 - 7 - 3.0/11350=2, 1.8/8093=1 HB3 PHE 79 - HA GLU 91 lone 4 98 - 4 - HB2 LYS 94 - HA LYS 43 poor 4 32 - 11 - 8194=2, 1.8/8196=2...(7) HB3 GLU 98 - HA LYS 96 lone 4 44 - 8 - 4.3/2178=5 HB2 GLU 47 - HA GLU 37 lone 3 44 - 8 - 1.8/8093=2, 8091=1...(4) HG2 GLU 119 - HA GLU 91 lone 3 97 - 3 - 576/3.6=1 HB3 GLU 98 - HA GLU 91 lone 3 73 - 4 - 4.3/2178=2, ~10159=1 HB2 GLU 13 - HA GLU 91 lone 3 99 - 3 - 576/3.6=1 HB3 GLU 98 - HA GLU 37 lone 2 37 - 7 - 3.0/3505=1 HB3 GLU 91 - HA LYS 96 lone 2 70 - 3 - 5830=1 HB2 GLU 47 - HA LYS 96 lone 1 52 - 3 - HB3 MET 121 - HA GLU 91 lone 1 96 - 1 - HB2 LYS 94 - HA GLU 37 lone 1 60 - 1 - HB3 GLU 112 - HA GLU 91 lone 1 81 - 1 - HB2 GLU 112 - HA GLU 91 lone 1 77 - 1 - HB2 GLU 92 - HA LYS 96 lone 1 44 - 2 - HB2 GLN 28 - HA GLU 91 lone 1 97 - 1 - HB3 GLU 91 - HA GLU 37 lone 1 60 - 1 - HB2 GLU 103 - HA GLU 91 lone 1 65 - 1 - HB3 PHE 79 - HA LYS 96 lone 0 66 - 1 - HB2 GLU 13 - HA LYS 96 lone 0 67 - 1 - HB2 GLU 92 - HA GLU 37 lone 0 37 - 1 - HB3 GLU 112 - HA GLU 37 lone 0 41 - 1 - HB2 GLU 112 - HA GLU 37 lone 0 39 - 1 - HB2 GLU 13 - HA GLU 37 lone 0 57 - 1 - HB3 PHE 79 - HA GLU 37 lone 0 56 - 1 - HB3 GLU 91 - HA LYS 43 lone 0 32 - 1 - HG2 GLU 119 - HA LYS 96 lone 0 65 - 0 - HB3 GLU 112 - HA LYS 96 lone 0 49 - 0 - HB2 GLU 112 - HA LYS 96 lone 0 47 - 0 - HB2 GLN 28 - HA LYS 96 lone 0 65 - 0 - HB3 MET 121 - HA LYS 96 lone 0 63 - 0 - HB2 GLU 47 - HA LYS 43 lone 0 23 - 1 - HG2 GLU 119 - HA GLU 37 lone 0 55 - 0 - HB2 GLN 28 - HA GLU 37 lone 0 55 - 0 - HB2 GLU 13 - HA LYS 43 lone 0 30 - 0 - HB3 MET 121 - HA GLU 37 lone 0 53 - 0 - HB2 GLU 103 - HA LYS 96 lone 0 39 - 0 - HB2 GLU 92 - HA LYS 43 lone 0 19 - 1 - HB3 PHE 79 - HA LYS 43 lone 0 30 - 0 - HB3 MET 121 - HA LYS 43 lone 0 28 - 0 - HB2 GLN 28 - HA LYS 43 lone 0 29 - 0 - HG2 GLU 119 - HA LYS 43 lone 0 29 - 0 - HB2 GLU 103 - HA GLU 37 lone 0 32 - 0 - HB3 GLU 112 - HA LYS 43 lone 0 21 - 0 - HB2 GLU 112 - HA LYS 43 lone 0 20 - 0 - HB3 GLU 98 - HA LYS 43 lone 0 19 - 0 - HB2 GLU 103 - HA LYS 43 lone 0 16 - 0 - Peak 5821 from cnoeabs.peaks (2.42, 4.07, 59.13 ppm; 3.23 A): 1 out of 32 assignments used, quality = 0.86: * HG2 GLU 91 + HA GLU 91 OK 86 100 - 86 - 4.2=47, 3.0/5830=23...(13) HG2 GLN 122 - HA GLU 91 lone 2 90 - 2 - 1601/2.9=2 HG2 GLU 91 - HA LYS 96 lone 2 70 - 2 - HG2 MET 1 - HA LYS 96 lone 2 55 - 3 - ~10723=2 HG2 GLN 85 - HA GLU 91 lone 1 92 - 1 - HB2 ASP 110 - HA LYS 43 lone 1 32 - 4 - 10375/3.9=1 HG3 GLN 85 - HA GLU 91 lone 1 87 - 1 - HB2 ASP 110 - HA GLU 37 lone 1 60 - 1 - HB2 ASP 110 - HA GLU 91 lone 1 100 - 1 - HG2 GLN 62 - HA GLU 91 lone 1 99 - 1 - HG3 GLN 62 - HA GLU 91 lone 1 99 - 1 - HG2 GLU 91 - HA GLU 37 lone 1 60 - 1 - HB2 ASP 110 - HA LYS 96 lone 0 70 - 1 - HG2 GLN 85 - HA GLU 37 lone 0 50 - 1 - HG3 GLN 85 - HA GLU 37 lone 0 46 - 1 - HG2 MET 1 - HA GLU 91 lone 0 87 - 0 - HG2 GLN 62 - HA GLU 37 lone 0 58 - 1 - HG2 GLN 85 - HA LYS 96 lone 0 59 - 0 - HG3 GLN 62 - HA GLU 37 lone 0 57 - 1 - HG3 GLN 85 - HA LYS 96 lone 0 55 - 0 - HG2 MET 1 - HA GLU 37 lone 0 46 - 1 - HG2 GLN 62 - HA LYS 96 lone 0 68 - 0 - HG3 GLN 62 - HA LYS 96 lone 0 67 - 0 - HG2 GLU 91 - HA LYS 43 lone 0 32 - 1 - HG2 GLN 122 - HA LYS 96 lone 0 57 - 0 - HG2 GLN 122 - HA GLU 37 lone 0 48 - 0 - HG2 GLN 62 - HA LYS 43 lone 0 31 - 0 - HG3 GLN 62 - HA LYS 43 lone 0 30 - 0 - HG2 GLN 85 - HA LYS 43 lone 0 26 - 0 - HG2 MET 1 - HA LYS 43 lone 0 24 - 0 - HG3 GLN 85 - HA LYS 43 lone 0 24 - 0 - HG2 GLN 122 - HA LYS 43 lone 0 25 - 0 - Peak 5822 from cnoeabs.peaks (2.29, 4.07, 59.13 ppm; 3.11 A): 0 out of 1 assignment used, low quality = 0.32: HB2 GLU 37 - HA GLU 37 OK 32 32 - 100 - 3.0=100 Reference assignment not found: HG3 GLU 91 - HA GLU 91 Peak 5823 from cnoeabs.peaks (7.94, 2.13, 28.97 ppm; 3.30 A): 2 out of 15 assignments used, quality = 0.90: * H GLU 91 + HB2 GLU 91 OK 89 100 - 89 - 4.0=54, 5829/1.8=27...(11) H GLU 91 + HB2 GLU 119 OK 10 90 - 11 - 1599=4, 1599/1.8=2...(5) H GLU 91 - HB3 GLU 119 poor 8 78 - 11 - 1599=3, 1599/1.8=3...(4) H GLY 125 - HB2 GLU 91 lone 7 94 - 8 - 5829/1.8=2, 573/4.6=2...(4) H GLY 101 - HB2 GLU 91 lone 4 99 - 4 - 5829/1.8=1 HD21 ASN 33 - HB2 GLU 91 lone 4 100 - 4 - 5829/1.8=1 H GLY 75 - HB2 GLU 119 lone 1 64 - 2 - H GLY 75 - HB2 GLU 91 lone 1 77 - 1 - H GLY 75 - HB3 GLU 119 lone 1 53 - 2 - H GLY 101 - HB2 GLU 119 lone 0 87 - 1 - HD21 ASN 33 - HB2 GLU 119 lone 0 90 - 0 - H GLY 101 - HB3 GLU 119 lone 0 75 - 1 - H GLY 125 - HB2 GLU 119 lone 0 81 - 0 - HD21 ASN 33 - HB3 GLU 119 lone 0 78 - 0 - H GLY 125 - HB3 GLU 119 lone 0 69 - 0 - Peak 5824 from cnoeabs.peaks (4.07, 2.13, 28.97 ppm; 3.17 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 91 + HB2 GLU 91 OK 100 100 - 100 - 3.0=100 Peak 5825 from cnoeabs.peaks (2.13, 2.13, 28.97 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 GLU 91 + HB2 GLU 91 OK 100 100 - 100 HB2 GLU 119 + HB2 GLU 119 OK 83 83 - 100 HB3 GLU 119 + HB3 GLU 119 OK 64 64 - 100 Peak 5826 from cnoeabs.peaks (2.07, 2.13, 28.97 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 91 + HB2 GLU 91 OK 100 100 - 100 - 1.8=100 Peak 5827 from cnoeabs.peaks (2.42, 2.13, 28.97 ppm; 3.19 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 91 + HB2 GLU 91 OK 100 100 - 100 - 3.0=100 Peak 5828 from cnoeabs.peaks (2.29, 2.13, 28.97 ppm; 2.87 A): 1 out of 30 assignments used, quality = 0.92: * HG3 GLU 91 + HB2 GLU 91 OK 92 100 - 92 - 3.0=88, 4.2/5819=8...(10) HG2 GLU 47 - HB2 GLU 91 lone 5 96 - 6 - ~11350=1 HG3 GLU 87 - HB2 GLU 91 lone 2 96 - 2 - HG2 GLU 87 - HB2 GLU 91 lone 2 96 - 2 - HG3 GLU 91 - HB2 GLU 119 lone 2 90 - 2 - HG3 GLU 91 - HB3 GLU 119 lone 1 78 - 2 - HG2 GLU 69 - HB2 GLU 91 lone 1 81 - 1 - HG2 GLU 111 - HB2 GLU 91 lone 1 100 - 1 - HB2 MET 121 - HB2 GLU 91 lone 1 100 - 1 - HG3 GLU 87 - HB2 GLU 119 lone 1 83 - 1 - HG2 GLU 87 - HB2 GLU 119 lone 1 83 - 1 - HB2 MET 121 - HB2 GLU 119 lone 1 89 - 1 - HB2 GLU 37 - HB2 GLU 91 lone 1 65 - 1 - HB2 MET 121 - HB3 GLU 119 lone 1 77 - 1 - HG3 GLU 87 - HB3 GLU 119 lone 1 71 - 1 - HG2 GLU 87 - HB3 GLU 119 lone 1 71 - 1 - HG2 GLU 111 - HB2 GLU 119 lone 1 90 - 1 - HG3 GLU 111 - HB2 GLU 91 lone 1 65 - 1 - HG2 GLU 111 - HB3 GLU 119 lone 1 78 - 1 - HG2 GLU 69 - HB2 GLU 119 lone 0 67 - 1 - HG2 GLU 47 - HB2 GLU 119 lone 0 83 - 0 - HG2 GLU 69 - HB3 GLU 119 lone 0 56 - 1 - HG2 GLU 47 - HB3 GLU 119 lone 0 71 - 0 - HG3 GLU 111 - HB2 GLU 119 lone 0 53 - 1 - HB3 ASN 8 - HB2 GLU 91 lone 0 81 - 0 - HG3 GLU 111 - HB3 GLU 119 lone 0 44 - 1 - HB2 GLU 37 - HB2 GLU 119 lone 0 53 - 0 - HB2 GLU 37 - HB3 GLU 119 lone 0 44 - 0 - HB3 ASN 8 - HB2 GLU 119 lone 0 67 - 0 - HB3 ASN 8 - HB3 GLU 119 lone 0 56 - 0 - Peak 5829 from cnoeabs.peaks (7.94, 2.07, 28.97 ppm; 3.41 A): 1 out of 15 assignments used, quality = 0.89: * H GLU 91 + HB3 GLU 91 OK 89 100 - 89 - 4.0=60, 2.9/5830=26...(9) H GLY 125 - HB3 GLU 91 lone 8 94 - 8 - 5823/1.8=2, 573/4.6=2...(4) H GLY 101 - HB3 GLU 91 lone 4 99 - 4 - 5823/1.8=1 HD21 ASN 33 - HB3 GLU 91 lone 4 100 - 4 - 5823/1.8=1 H GLU 91 - HB2 GLU 13 lone 2 63 - 3 - 4.6/576=1 H GLY 75 - HB3 GLU 91 lone 1 77 - 1 - H GLU 91 - HB3 GLU 112 lone 1 41 - 3 - H GLY 101 - HB2 GLU 13 lone 1 60 - 1 - H GLY 101 - HB3 GLU 112 lone 0 39 - 1 - H GLY 125 - HB2 GLU 13 lone 0 54 - 1 - HD21 ASN 33 - HB2 GLU 13 lone 0 62 - 0 - H GLY 75 - HB2 GLU 13 lone 0 41 - 0 - HD21 ASN 33 - HB3 GLU 112 lone 0 41 - 0 - H GLY 125 - HB3 GLU 112 lone 0 35 - 0 - H GLY 75 - HB3 GLU 112 lone 0 26 - 0 - Peak 5830 from cnoeabs.peaks (4.07, 2.07, 28.97 ppm; 2.98 A): 1 out of 24 assignments used, quality = 0.99: * HA GLU 91 + HB3 GLU 91 OK 99 100 - 99 - 3.0=97, 5819/1.8=21...(17) HA3 GLY 125 - HB3 GLU 91 lone 4 92 - 4 - 3.0/5829=1 HA LYS 96 - HB3 GLU 91 lone 3 96 - 3 - HA GLU 91 - HB2 GLU 13 lone 2 63 - 3 - 3.6/576=1 HA GLU 69 - HB3 GLU 91 lone 1 65 - 2 - HA LYS 44 - HB3 GLU 91 lone 1 87 - 1 - HA GLU 37 - HB3 GLU 91 lone 1 81 - 1 - HA GLU 69 - HB3 GLU 112 lone 1 21 - 4 - HA LYS 43 - HB3 GLU 91 lone 1 77 - 1 - HA GLU 91 - HB3 GLU 112 lone 1 41 - 1 - HA LYS 20 - HB3 GLU 91 lone 0 81 - 1 - HA GLU 69 - HB2 GLU 13 lone 0 34 - 1 - HA LYS 96 - HB2 GLU 13 lone 0 56 - 1 - HA GLU 37 - HB2 GLU 13 lone 0 44 - 1 - HA LYS 44 - HB2 GLU 13 lone 0 48 - 0 - HA LYS 96 - HB3 GLU 112 lone 0 37 - 1 - HA LYS 43 - HB2 GLU 13 lone 0 41 - 0 - HA GLU 37 - HB3 GLU 112 lone 0 28 - 1 - HA LYS 20 - HB2 GLU 13 lone 0 44 - 0 - HA3 GLY 125 - HB2 GLU 13 lone 0 52 - 0 - HA LYS 20 - HB3 GLU 112 lone 0 28 - 0 - HA LYS 43 - HB3 GLU 112 lone 0 26 - 0 - HA LYS 44 - HB3 GLU 112 lone 0 31 - 0 - HA3 GLY 125 - HB3 GLU 112 lone 0 34 - 0 - Peak 5831 from cnoeabs.peaks (2.13, 2.07, 28.97 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 91 + HB3 GLU 91 OK 100 100 - 100 - 1.8=100 Peak 5832 from cnoeabs.peaks (2.07, 2.07, 28.97 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HB3 GLU 91 + HB3 GLU 91 OK 100 100 - 100 HB2 GLU 13 + HB2 GLU 13 OK 60 60 - 100 HB3 GLU 112 - HB3 GLU 112 OK 28 28 - 100 Peak 5833 from cnoeabs.peaks (2.42, 2.07, 28.97 ppm; 3.04 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 91 + HB3 GLU 91 OK 100 100 - 100 - 3.0=100 Peak 5834 from cnoeabs.peaks (2.29, 2.07, 28.97 ppm; 2.75 A): 1 out of 30 assignments used, quality = 0.85: * HG3 GLU 91 + HB3 GLU 91 OK 85 100 - 85 - 3.0=77, 4.2/5830=10...(9) HG2 GLU 47 - HB3 GLU 91 lone 5 96 - 5 - ~11350=1 HG2 GLU 111 - HB3 GLU 112 lone 3 41 - 7 - 7872/4.0=4 HG3 GLU 87 - HB3 GLU 91 lone 2 96 - 2 - HG2 GLU 87 - HB3 GLU 91 lone 2 96 - 2 - HB2 MET 121 - HB3 GLU 91 lone 2 100 - 2 - HG3 GLU 111 - HB3 GLU 112 lone 1 21 - 6 - 708/4.0=2 HG2 GLU 69 - HB3 GLU 91 lone 1 81 - 1 - HG2 GLU 111 - HB3 GLU 91 lone 1 100 - 1 - HG3 GLU 91 - HB2 GLU 13 lone 1 63 - 1 - HB2 MET 121 - HB3 GLU 112 lone 1 41 - 2 - HG2 GLU 87 - HB3 GLU 112 lone 1 37 - 2 - HG3 GLU 87 - HB3 GLU 112 lone 1 37 - 2 - HB2 MET 121 - HB2 GLU 13 lone 1 62 - 1 - HG2 GLU 69 - HB3 GLU 112 lone 1 28 - 2 - HG3 GLU 87 - HB2 GLU 13 lone 1 56 - 1 - HG2 GLU 87 - HB2 GLU 13 lone 1 56 - 1 - HG3 GLU 111 - HB3 GLU 91 lone 1 65 - 1 - HB2 GLU 37 - HB3 GLU 91 lone 1 65 - 1 - HB3 ASN 8 - HB3 GLU 91 lone 0 81 - 0 - HG2 GLU 69 - HB2 GLU 13 lone 0 44 - 1 - HG2 GLU 47 - HB2 GLU 13 lone 0 56 - 0 - HG2 GLU 111 - HB2 GLU 13 lone 0 63 - 0 - HB2 GLU 37 - HB3 GLU 112 lone 0 21 - 1 - HG3 GLU 91 - HB3 GLU 112 lone 0 41 - 1 - HB2 GLU 37 - HB2 GLU 13 lone 0 34 - 0 - HG2 GLU 47 - HB3 GLU 112 lone 0 37 - 0 - HG3 GLU 111 - HB2 GLU 13 lone 0 34 - 0 - HB3 ASN 8 - HB3 GLU 112 lone 0 28 - 0 - HB3 ASN 8 - HB2 GLU 13 lone 0 44 - 0 - Peak 5835 from cnoeabs.peaks (7.94, 2.42, 35.05 ppm; 4.34 A): 1 out of 5 assignments used, quality = 0.94: * H GLU 91 + HG2 GLU 91 OK 94 100 - 95 - 5.2=58, 2.9/5821=34...(10) H GLY 125 - HG2 GLU 91 lone 9 94 - 10 - 5841/1.8=3, 5829/3.0=3 H GLY 101 - HG2 GLU 91 lone 6 99 - 6 - 5841/1.8=2, 5829/3.0=2 HD21 ASN 33 - HG2 GLU 91 lone 5 100 - 5 - 5841/1.8=2, 5829/3.0=1 H GLY 75 - HG2 GLU 91 lone 2 77 - 2 - Peak 5836 from cnoeabs.peaks (4.07, 2.42, 35.05 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 91 + HG2 GLU 91 OK 100 100 - 100 - 4.2=100 Peak 5837 from cnoeabs.peaks (2.13, 2.42, 35.05 ppm; 3.17 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 91 + HG2 GLU 91 OK 100 100 - 100 - 3.0=100 Peak 5838 from cnoeabs.peaks (2.07, 2.42, 35.05 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 91 + HG2 GLU 91 OK 100 100 - 100 - 3.0=100 Peak 5839 from cnoeabs.peaks (2.42, 2.42, 35.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 91 + HG2 GLU 91 OK 100 100 - 100 Peak 5840 from cnoeabs.peaks (2.29, 2.42, 35.05 ppm; 2.62 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 91 + HG2 GLU 91 OK 100 100 - 100 - 1.8=100 Peak 5841 from cnoeabs.peaks (7.94, 2.29, 35.05 ppm; 4.52 A): 1 out of 5 assignments used, quality = 0.96: * H GLU 91 + HG3 GLU 91 OK 96 100 - 96 - 5.2=66, 1601/1.8=37...(12) H GLY 125 - HG3 GLU 91 poor 10 94 - 10 - 5835/1.8=3, 5829/3.0=3 HD21 ASN 33 - HG3 GLU 91 lone 7 100 - 6 - 5835/1.8=2, 5829/3.0=1 H GLY 101 - HG3 GLU 91 lone 6 99 - 6 - 5835/1.8=2, 5829/3.0=2 H GLY 75 - HG3 GLU 91 lone 2 77 - 2 - Peak 5842 from cnoeabs.peaks (4.07, 2.29, 35.05 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 91 + HG3 GLU 91 OK 100 100 - 100 - 4.2=100 Peak 5843 from cnoeabs.peaks (2.13, 2.29, 35.05 ppm; 3.31 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 91 + HG3 GLU 91 OK 100 100 - 100 - 3.0=100 Peak 5844 from cnoeabs.peaks (2.07, 2.29, 35.05 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 91 + HG3 GLU 91 OK 100 100 - 100 - 3.0=100 Peak 5845 from cnoeabs.peaks (2.42, 2.29, 35.05 ppm; 2.62 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 91 + HG3 GLU 91 OK 100 100 - 100 - 1.8=100 Peak 5846 from cnoeabs.peaks (2.29, 2.29, 35.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 91 + HG3 GLU 91 OK 100 100 - 100 Peak 5847 from cnoeabs.peaks (8.09, 4.03, 59.25 ppm; 3.61 A): 2 out of 2 assignments used, quality = 1.00: * H GLU 92 + HA GLU 92 OK 100 100 - 100 - 3.0=100 H PHE 93 + HA GLU 92 OK 77 77 - 100 - 3.6=100 Peak 5848 from cnoeabs.peaks (4.03, 4.03, 59.25 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HA GLU 92 + HA GLU 92 OK 100 100 - 100 HA LYS 123 + HA LYS 123 OK 88 88 - 100 HA GLU 66 + HA GLU 66 OK 83 83 - 100 HA GLU 13 + HA GLU 13 OK 61 61 - 100 HA GLU 119 + HA GLU 119 OK 56 56 - 100 Peak 5849 from cnoeabs.peaks (2.05, 4.03, 59.25 ppm; 2.74 A): 3 out of 90 assignments used, quality = 0.98: * HB2 GLU 92 + HA GLU 92 OK 90 100 - 90 - 3.0=76, 5853/3.0=9...(26) HB2 GLU 66 + HA GLU 66 OK 61 67 - 91 - 3.0=76, 1.8/4896=14...(19) HB2 GLU 13 + HA GLU 13 OK 47 52 - 91 - 3.0=76, 3.0/2625=11...(20) HB3 GLU 89 - HA GLU 92 OK 30 84 - 36 - 3.0/5852=4, 3.0/5851=3...(16) HB2 GLU 89 - HA GLU 92 OK 30 84 - 36 - 3.0/5852=4, 3.0/5851=3...(16) HB3 GLU 91 - HA GLU 92 OK 21 73 - 29 - 7765/3.0=6, ~7764=4...(11) HB3 MET 67 - HA GLU 66 OK 17 85 - 20 - 1441/3.6=6, 4.6/2100=4...(8) HB2 GLU 13 - HA GLU 92 OK 15 90 - 17 - 3.0/2625=3, 2613=3...(4) HB2 GLU 92 - HA GLU 13 poor 10 64 - 15 - 5854=3, 1084/3.0=2...(5) HB3 GLU 89 - HA GLU 66 lone 6 67 - 9 - 4889/2.9=1 HB2 GLU 89 - HA GLU 66 lone 6 67 - 9 - 4889/2.9=1 HB2 GLU 66 - HA LYS 123 lone 6 73 - 8 - 3.0/4902=1, 3.0/4908=1 HB2 GLU 92 - HA GLU 66 lone 6 87 - 6 - 5854=1 HB2 GLU 66 - HA GLU 92 lone 5 84 - 6 - 3.0/4908=1, 3.0/4902=1 HB3 GLN 85 - HA GLU 66 lone 5 67 - 7 - 4889/2.9=1 HB VAL 117 - HA GLU 119 lone 5 55 - 8 - ~2214=3, ~8274=3, ~10544=2 HB3 GLU 87 - HA GLU 66 lone 4 67 - 6 - 1.8/5704=2 HB2 LYS 94 - HA GLU 92 lone 4 70 - 6 - 4.4/8199=3, 581/3.6=1, 576/3.0=1 HB3 GLN 100 - HA GLU 66 lone 4 84 - 4 - 1.8/8133=1, 1441/3.6=1 HB3 MET 67 - HA LYS 123 lone 4 92 - 4 - HB3 GLU 98 - HA GLU 66 lone 3 87 - 3 - HB2 GLU 92 - HA GLU 119 lone 3 59 - 5 - HB3 GLU 98 - HA GLU 13 lone 2 64 - 3 - HB3 GLU 87 - HA GLU 92 lone 2 84 - 2 - HB3 GLN 100 - HA GLU 92 lone 2 99 - 2 - HB3 GLN 85 - HA LYS 123 lone 2 73 - 2 - HB2 GLU 48 - HA GLU 92 lone 2 84 - 2 - HB3 GLU 48 - HA GLU 92 lone 2 84 - 2 - HB VAL 117 - HA GLU 66 lone 2 83 - 2 - HB3 GLU 98 - HA GLU 92 lone 1 100 - 1 - HB2 LYS 94 - HA GLU 66 lone 1 54 - 3 - 4.4/8199=2 HB2 GLU 13 - HA GLU 66 lone 1 72 - 2 - HB2 GLU 89 - HA GLU 13 lone 1 47 - 2 - HB3 GLU 89 - HA GLU 13 lone 1 47 - 2 - HB3 GLN 100 - HA GLU 13 lone 1 62 - 2 - HB2 GLU 47 - HA GLU 92 lone 1 100 - 1 - HB3 MET 67 - HA GLU 92 lone 1 99 - 1 - HB2 LYS 94 - HA LYS 123 lone 1 60 - 2 - HB2 GLU 92 - HA LYS 123 lone 1 93 - 1 - HB2 GLU 89 - HA GLU 119 lone 1 43 - 2 - HB3 GLU 89 - HA GLU 119 lone 1 43 - 2 - HB2 GLU 13 - HA LYS 123 lone 1 79 - 1 - HB3 GLU 89 - HA LYS 123 lone 1 73 - 1 - HB2 GLU 89 - HA LYS 123 lone 1 73 - 1 - HB3 GLN 85 - HA GLU 92 lone 1 84 - 1 - HB3 GLN 100 - HA LYS 123 lone 1 90 - 1 - HB3 GLU 91 - HA GLU 119 lone 1 36 - 1 - HB3 GLU 91 - HA GLU 13 lone 1 40 - 1 - HB3 GLU 87 - HA LYS 123 lone 1 73 - 1 - HB3 MET 67 - HA GLU 13 lone 1 63 - 1 - HB2 LYS 94 - HA GLU 13 lone 1 38 - 1 - HB2 GLU 66 - HA GLU 13 lone 1 47 - 1 - HB3 GLU 48 - HA GLU 66 lone 0 67 - 1 - HB2 GLU 48 - HA GLU 66 lone 0 67 - 1 - HB3 GLU 87 - HA GLU 13 lone 0 47 - 1 - HB2 GLU 66 - HA GLU 119 lone 0 43 - 1 - HB2 GLU 47 - HA GLU 66 lone 0 86 - 0 - HB3 GLU 87 - HA GLU 119 lone 0 43 - 1 - HB2 GLU 13 - HA GLU 119 lone 0 47 - 1 - HB2 LYS 94 - HA GLU 119 lone 0 34 - 1 - HG3 GLU 52 - HA GLU 66 lone 0 77 - 0 - HG3 GLU 52 - HA GLU 92 lone 0 94 - 0 - HB VAL 117 - HA GLU 92 lone 0 98 - 0 - HB3 GLU 91 - HA LYS 123 lone 0 63 - 1 - HB VAL 117 - HA LYS 123 lone 0 89 - 0 - HB3 GLU 98 - HA LYS 123 lone 0 93 - 0 - HB2 GLU 47 - HA LYS 123 lone 0 92 - 0 - HB VAL 117 - HA GLU 13 lone 0 61 - 1 - HB2 GLN 28 - HA GLU 92 lone 0 94 - 0 - HB3 GLU 48 - HA GLU 13 lone 0 47 - 1 - HB2 GLU 48 - HA GLU 13 lone 0 47 - 1 - HB2 GLU 47 - HA GLU 13 lone 0 63 - 0 - HB3 GLN 85 - HA GLU 13 lone 0 47 - 1 - HB2 GLN 28 - HA LYS 123 lone 0 84 - 0 - HB2 GLN 28 - HA GLU 66 lone 0 77 - 0 - HB3 GLU 91 - HA GLU 66 lone 0 57 - 0 - HG3 GLU 52 - HA LYS 123 lone 0 84 - 0 - HB3 GLN 100 - HA GLU 119 lone 0 56 - 0 - HB2 GLN 28 - HA GLU 13 lone 0 56 - 0 - HB3 MET 67 - HA GLU 119 lone 0 57 - 0 - HB3 GLU 98 - HA GLU 119 lone 0 59 - 0 - HB2 GLU 48 - HA LYS 123 lone 0 73 - 0 - HB3 GLU 48 - HA LYS 123 lone 0 73 - 0 - HB2 GLN 28 - HA GLU 119 lone 0 50 - 0 - HB2 GLU 47 - HA GLU 119 lone 0 58 - 0 - HB3 GLN 85 - HA GLU 119 lone 0 43 - 0 - HG3 GLU 52 - HA GLU 13 lone 0 56 - 0 - HG3 GLU 52 - HA GLU 119 lone 0 50 - 0 - HB2 GLU 48 - HA GLU 119 lone 0 43 - 0 - HB3 GLU 48 - HA GLU 119 lone 0 43 - 0 - Peak 5850 from cnoeabs.peaks (2.11, 4.03, 59.25 ppm; 2.70 A): 3 out of 80 assignments used, quality = 0.98: * HB3 GLU 92 + HA GLU 92 OK 89 100 - 89 - 3.0=73, 1.8/5854=13...(26) HB3 GLU 66 + HA GLU 66 OK 56 64 - 87 - 3.0=73, 3.0/4902=11...(18) HB3 GLU 119 + HA GLU 119 OK 47 53 - 88 - 3.0=73, 1782/3.0=9...(19) HB2 GLU 119 - HA GLU 119 OK 43 49 - 88 - 3.0=73, 1782/3.0=9...(19) HB2 GLU 91 - HA GLU 92 OK 18 65 - 28 - 575/3.0=5, ~7765=5...(11) HB3 GLU 119 - HA GLU 92 OK 13 97 - 13 - 5859/3.0=2, 5860=2...(4) HB3 GLU 69 - HA GLU 66 OK 13 51 - 26 - 1.8/8133=7, 4896=4...(8) HB2 GLU 119 - HA GLU 92 OK 12 92 - 13 - 1606/3.0=2, 3.0/6932=1...(5) HB3 GLU 69 - HA GLU 92 poor 9 65 - 13 - 1.8/8133=4, 4896=2...(4) HB3 GLU 92 - HA GLU 13 poor 8 64 - 12 - 1.8/5854=2, 5860=1...(4) HB2 LEU 38 - HA GLU 66 lone 7 81 - 8 - 3.1/10996=2, ~9696=2...(4) HB3 GLU 66 - HA LYS 123 lone 6 70 - 8 - 4896=1, 3.0/4902=1...(4) HB3 GLU 92 - HA GLU 66 lone 5 87 - 6 - HB2 GLU 87 - HA GLU 66 lone 5 67 - 8 - 5704=3 HB3 GLU 66 - HA GLU 92 lone 5 81 - 6 - 3.0/4908=1, 4896=1, 3.0/4902=1 HB VAL 107 - HA GLU 92 lone 5 94 - 5 - 582/3.6=3, ~10296=1 HB3 GLU 69 - HA LYS 123 lone 3 56 - 6 - 1.8/8133=2, 4.0/2107=2 HB3 GLU 92 - HA GLU 119 lone 3 59 - 5 - HB2 GLU 111 - HA GLU 92 lone 3 96 - 3 - HB2 GLU 87 - HA GLU 92 lone 2 84 - 2 - HB2 LEU 38 - HA LYS 123 lone 2 88 - 2 - HB2 LEU 38 - HA GLU 92 lone 2 97 - 2 - HB VAL 107 - HA GLU 66 lone 1 77 - 2 - HB2 GLU 111 - HA GLU 66 lone 1 79 - 2 - HB3 GLU 119 - HA LYS 123 lone 1 88 - 1 - HB2 GLU 119 - HA LYS 123 lone 1 82 - 1 - HB VAL 107 - HA LYS 123 lone 1 84 - 1 - HB3 GLU 47 - HA GLU 92 lone 1 100 - 1 - HB3 GLU 92 - HA LYS 123 lone 1 93 - 1 - HB VAL 107 - HA GLU 119 lone 1 50 - 2 - 758/3.6=1 HG2 GLU 21 - HA LYS 123 lone 1 93 - 1 - HB2 GLU 87 - HA LYS 123 lone 1 73 - 1 - HG3 GLU 21 - HA LYS 123 lone 1 92 - 1 - HG3 GLN 83 - HA GLU 92 lone 1 92 - 1 - HG3 GLU 21 - HA GLU 66 lone 1 86 - 1 - HB2 LEU 38 - HA GLU 119 lone 1 53 - 1 - HB2 GLU 21 - HA GLU 92 lone 1 94 - 1 - HG2 GLU 21 - HA GLU 66 lone 1 87 - 1 - HG2 GLU 21 - HA GLU 92 lone 0 100 - 0 - HG3 GLU 21 - HA GLU 92 lone 0 100 - 0 - HB3 GLU 119 - HA GLU 66 lone 0 81 - 1 - HB2 GLU 87 - HA GLU 119 lone 0 43 - 1 - HB2 GLU 91 - HA GLU 119 lone 0 31 - 1 - HB2 GLU 87 - HA GLU 13 lone 0 47 - 1 - HB2 GLU 119 - HA GLU 66 lone 0 75 - 1 - HG2 GLU 52 - HA GLU 66 lone 0 81 - 0 - HG2 GLU 52 - HA GLU 92 lone 0 97 - 0 - HB3 GLU 66 - HA GLU 13 lone 0 45 - 1 - HB3 GLU 69 - HA GLU 13 lone 0 35 - 1 - HB3 GLU 119 - HA GLU 13 lone 0 59 - 1 - HB3 GLU 47 - HA LYS 123 lone 0 92 - 0 - HB3 GLU 47 - HA GLU 66 lone 0 86 - 0 - HB2 GLU 111 - HA LYS 123 lone 0 86 - 0 - HB2 GLU 119 - HA GLU 13 lone 0 54 - 1 - HB3 GLU 69 - HA GLU 119 lone 0 31 - 1 - HB2 GLU 21 - HA LYS 123 lone 0 84 - 0 - HB3 GLU 66 - HA GLU 119 lone 0 40 - 1 - HG3 GLN 83 - HA GLU 66 lone 0 75 - 0 - HB2 GLU 91 - HA GLU 13 lone 0 35 - 1 - HB2 GLU 21 - HA GLU 66 lone 0 77 - 0 - HB2 GLU 21 - HA GLU 119 lone 0 50 - 1 - HG2 GLU 21 - HA GLU 119 lone 0 58 - 0 - HG2 GLU 52 - HA LYS 123 lone 0 88 - 0 - HB2 GLU 111 - HA GLU 119 lone 0 52 - 1 - HB2 GLU 91 - HA LYS 123 lone 0 56 - 1 - HG3 GLU 21 - HA GLU 119 lone 0 58 - 0 - HG3 GLN 83 - HA LYS 123 lone 0 82 - 0 - HG3 GLN 83 - HA GLU 119 lone 0 49 - 0 - HB3 GLU 47 - HA GLU 13 lone 0 63 - 0 - HB2 LEU 38 - HA GLU 13 lone 0 59 - 0 - HB3 GLU 47 - HA GLU 119 lone 0 58 - 0 - HB VAL 107 - HA GLU 13 lone 0 56 - 0 - HB2 GLU 111 - HA GLU 13 lone 0 58 - 0 - HG2 GLU 21 - HA GLU 13 lone 0 64 - 0 - HB2 GLU 91 - HA GLU 66 lone 0 51 - 0 - HG3 GLU 21 - HA GLU 13 lone 0 63 - 0 - HG2 GLU 52 - HA GLU 119 lone 0 53 - 0 - HB2 GLU 21 - HA GLU 13 lone 0 56 - 0 - HG3 GLN 83 - HA GLU 13 lone 0 54 - 0 - HG2 GLU 52 - HA GLU 13 lone 0 59 - 0 - Peak 5851 from cnoeabs.peaks (2.32, 4.03, 59.25 ppm; 3.43 A): 3 out of 25 assignments used, quality = 0.98: * HG2 GLU 92 + HA GLU 92 OK 92 100 - 92 - 4.0=63, 5863/3.0=15...(25) HG3 GLU 13 + HA GLU 13 OK 58 61 - 95 - 4.1=58, 2633/3.0=26...(15) HG3 GLU 89 + HA GLU 92 OK 51 99 - 52 - 1.8/5852=8, 1607/3.0=7...(20) HG3 GLU 13 - HA GLU 92 OK 28 98 - 29 - 1.8/2625=7, 5866=3...(10) HG3 GLU 103 - HA GLU 92 OK 14 97 - 14 - 1.8/5852=2, 1607/3.0=2...(8) HG2 GLU 92 - HA GLU 13 OK 14 64 - 22 - 1087/3.0=5, 2633/3.0=3...(9) HG3 GLU 89 - HA GLU 66 poor 8 84 - 10 - 2631=1, 1.8/5852=1 HG2 GLU 92 - HA GLU 66 lone 8 87 - 9 - 1.8/5852=1, 5866=1, 3.0/5854=1 HG2 GLU 92 - HA GLU 119 lone 5 59 - 9 - 5863/3.0=2, 5863/3.0=1, 5866=1 HG3 GLU 48 - HA GLU 92 lone 5 100 - 5 - HG3 GLU 89 - HA GLU 13 lone 4 62 - 7 - 1087/3.0=1, 67/3.6=1 HG3 GLU 13 - HA GLU 66 lone 2 83 - 3 - HG3 GLU 89 - HA GLU 119 lone 2 56 - 3 - HG3 GLU 48 - HA GLU 13 lone 2 63 - 2 - HG3 GLU 103 - HA GLU 66 lone 1 81 - 2 - HG3 GLU 48 - HA GLU 66 lone 1 86 - 1 - HG3 GLU 13 - HA LYS 123 lone 1 89 - 1 - HG3 GLU 89 - HA LYS 123 lone 1 90 - 1 - HG3 GLU 103 - HA GLU 119 lone 1 53 - 2 - HG2 GLU 92 - HA LYS 123 lone 1 93 - 1 - HG3 GLU 13 - HA GLU 119 lone 1 55 - 2 - HG3 GLU 103 - HA LYS 123 lone 1 88 - 1 - HG3 GLU 103 - HA GLU 13 lone 1 59 - 1 - HG3 GLU 48 - HA LYS 123 lone 0 92 - 0 - HG3 GLU 48 - HA GLU 119 lone 0 58 - 1 - Peak 5852 from cnoeabs.peaks (2.27, 4.03, 59.25 ppm; 3.11 A): 2 out of 35 assignments used, quality = 0.92: * HG3 GLU 92 + HA GLU 92 OK 85 100 - 85 - 4.0=47, 5858/3.0=16...(27) HG2 GLU 89 + HA GLU 92 OK 47 100 - 47 - 5872=8, 1608/3.0=6...(16) HG2 GLU 69 - HA GLU 66 OK 19 79 - 25 - 3.0/8133=7, 3.0/8135=4...(9) HG2 GLU 69 - HA GLU 92 OK 15 96 - 16 - 3.0/8133=4, 5872=2...(7) HG2 GLU 103 - HA GLU 92 OK 12 94 - 12 - 1.8/5851=1, 1608/3.0=1...(6) HG3 GLU 92 - HA GLU 13 OK 11 64 - 17 - 5872=3, ~1087=2, ~2630=2...(8) HG2 GLU 89 - HA GLU 66 lone 7 87 - 8 - 5872=1 HG3 GLU 92 - HA GLU 66 lone 7 87 - 8 - 5872=1 HG3 GLU 111 - HA GLU 92 lone 6 99 - 6 - 5872=1 HG2 GLU 69 - HA LYS 123 lone 5 86 - 6 - 3.0/8133=2, 5.1/2107=2 HG3 GLU 92 - HA GLU 119 lone 4 59 - 7 - 5864/3.0=1, 5872=1, 5864/3.0=1 HG2 GLU 89 - HA GLU 13 lone 3 64 - 5 - HG3 GLU 111 - HA GLU 66 lone 3 85 - 3 - HB2 GLU 37 - HA GLU 92 lone 2 99 - 2 - HG2 GLU 89 - HA GLU 119 lone 2 58 - 3 - HB2 GLU 37 - HA GLU 66 lone 1 85 - 2 - HG2 GLU 103 - HA GLU 66 lone 1 77 - 1 - HG3 GLU 92 - HA LYS 123 lone 1 93 - 1 - HG2 GLU 89 - HA LYS 123 lone 1 93 - 1 - HG2 GLU 69 - HA GLU 119 lone 1 52 - 2 - HG2 GLU 69 - HA GLU 13 lone 1 58 - 1 - HG2 GLU 103 - HA GLU 119 lone 1 50 - 1 - HB3 ASN 8 - HA GLU 92 lone 1 96 - 1 - HG3 GLU 111 - HA LYS 123 lone 1 92 - 1 - HG3 GLU 111 - HA GLU 119 lone 1 57 - 1 - HG2 GLU 103 - HA LYS 123 lone 1 84 - 1 - HB2 GLU 37 - HA LYS 123 lone 1 92 - 1 - HG2 GLU 103 - HA GLU 13 lone 1 56 - 1 - HB2 GLU 37 - HA GLU 13 lone 0 63 - 1 - HG3 GLU 111 - HA GLU 13 lone 0 63 - 1 - HB3 ASN 8 - HA GLU 66 lone 0 79 - 0 - HB2 GLU 37 - HA GLU 119 lone 0 57 - 1 - HB3 ASN 8 - HA LYS 123 lone 0 86 - 0 - HB3 ASN 8 - HA GLU 119 lone 0 52 - 0 - HB3 ASN 8 - HA GLU 13 lone 0 58 - 0 - Peak 5853 from cnoeabs.peaks (8.09, 2.05, 28.93 ppm; 3.35 A): 2 out of 12 assignments used, quality = 0.93: * H GLU 92 + HB2 GLU 92 OK 86 100 - 86 - 4.0=58, 1606/1.8=17...(23) H PHE 93 + HB2 GLU 92 OK 48 77 - 63 - 4.6=38, 582/1.8=14...(8) H GLU 92 - HB2 GLU 13 poor 8 54 - 16 - 1607/3.0=3, 576=3...(6) H SER 99 - HB3 GLN 100 poor 7 46 - 16 - 1942/4.0=10, 631=3, 4.6/1655=1 H GLU 128 - HB2 GLU 92 lone 5 99 - 5 - 2262/3.0=1, 5859/1.8=1 H SER 99 - HB2 GLU 92 lone 5 90 - 6 - 631=1 H GLU 92 - HB3 GLN 100 lone 2 58 - 3 - H PHE 93 - HB2 GLU 13 lone 2 35 - 6 - 583/3.0=1, 581=1, 3.6/5854=1 H SER 99 - HB2 GLU 13 lone 2 43 - 4 - H PHE 93 - HB3 GLN 100 lone 1 38 - 2 - H GLU 128 - HB3 GLN 100 lone 0 56 - 1 - H GLU 128 - HB2 GLU 13 lone 0 52 - 1 - Peak 5854 from cnoeabs.peaks (4.03, 2.05, 28.93 ppm; 2.93 A): 2 out of 36 assignments used, quality = 0.99: * HA GLU 92 + HB2 GLU 92 OK 98 100 - 98 - 3.0=93, 3.0/5853=10...(32) HA GLU 13 + HB2 GLU 13 OK 49 50 - 98 - 3.0=93, 2609/1.8=20...(21) HA GLU 13 - HB2 GLU 92 OK 16 98 - 17 - 3.0/1084=2, 2608=2...(10) HA GLU 92 - HB2 GLU 13 OK 10 54 - 19 - 2625/3.0=4, 2609/1.8=3...(5) HA GLU 66 - HB2 GLU 92 lone 7 98 - 7 - HA GLU 119 - HB2 GLU 92 lone 5 99 - 5 - HA GLU 87 - HB2 GLU 92 lone 4 100 - 4 - HB3 SER 126 - HB2 GLU 92 lone 3 100 - 3 - HB2 SER 126 - HB2 GLU 92 lone 3 94 - 3 - HA GLU 66 - HB3 GLN 100 lone 3 54 - 5 - 8133/1.8=2, 3.6/1441=1 HA SER 35 - HB3 GLN 100 lone 2 40 - 6 - ~10893=2, ~11120=1, ~10894=1 HA PHE 120 - HB2 GLU 92 lone 2 92 - 2 - HA GLU 92 - HB3 GLN 100 lone 1 58 - 2 - HA GLU 13 - HB3 GLN 100 lone 1 54 - 2 - HA GLU 66 - HB2 GLU 13 lone 1 50 - 2 - HA LYS 123 - HB2 GLU 92 lone 1 97 - 1 - HA PHE 120 - HB2 GLU 13 lone 1 44 - 1 - HA GLU 87 - HB2 GLU 13 lone 1 53 - 1 - HA SER 35 - HB2 GLU 92 lone 1 81 - 1 - HA LYS 123 - HB2 GLU 13 lone 0 49 - 1 - HA GLU 119 - HB2 GLU 13 lone 0 51 - 1 - HA LYS 40 - HB2 GLU 92 lone 0 92 - 0 - HA PHE 120 - HB3 GLN 100 lone 0 48 - 1 - HA LYS 123 - HB3 GLN 100 lone 0 53 - 1 - HA LYS 40 - HB2 GLU 13 lone 0 44 - 1 - HA GLU 87 - HB3 GLN 100 lone 0 57 - 1 - HB3 SER 126 - HB2 GLU 13 lone 0 53 - 1 - HA2 GLY 125 - HB2 GLU 92 lone 0 57 - 0 - HA GLU 119 - HB3 GLN 100 lone 0 55 - 0 - HB2 SER 126 - HB2 GLU 13 lone 0 46 - 1 - HB3 SER 126 - HB3 GLN 100 lone 0 58 - 0 - HB2 SER 126 - HB3 GLN 100 lone 0 50 - 0 - HA LYS 40 - HB3 GLN 100 lone 0 48 - 0 - HA SER 35 - HB2 GLU 13 lone 0 37 - 0 - HA2 GLY 125 - HB3 GLN 100 lone 0 27 - 0 - HA2 GLY 125 - HB2 GLU 13 lone 0 24 - 0 - Peak 5855 from cnoeabs.peaks (2.05, 2.05, 28.93 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HB2 GLU 92 + HB2 GLU 92 OK 100 100 - 100 HB3 GLN 100 + HB3 GLN 100 OK 55 55 - 100 HB2 GLU 13 - HB2 GLU 13 OK 43 43 - 100 Peak 5856 from cnoeabs.peaks (2.11, 2.05, 28.93 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 92 + HB2 GLU 92 OK 100 100 - 100 - 1.8=100 Peak 5857 from cnoeabs.peaks (2.32, 2.05, 28.93 ppm; 2.70 A): 3 out of 15 assignments used, quality = 0.95: * HG2 GLU 92 + HB2 GLU 92 OK 87 100 - 87 - 3.0=73, 5868/1.8=15...(18) HG3 GLU 13 + HB2 GLU 13 OK 46 50 - 92 - 3.0=74, 2633/1.8=26...(16) HG3 GLU 89 + HB2 GLU 92 OK 32 99 - 32 - 5863/1.8=6, 3.8/8180=6...(11) HG3 GLU 13 - HB2 GLU 92 OK 18 98 - 18 - 1.8/2626=4, 5863/1.8=3...(7) HG2 GLU 92 - HB2 GLU 13 poor 8 54 - 15 - 2633/1.8=3, 2632=2...(5) HG3 GLU 103 - HB2 GLU 92 lone 6 97 - 6 - 5863/1.8=1 HG3 GLU 48 - HB2 GLU 92 lone 3 100 - 3 - HG3 GLU 89 - HB2 GLU 13 lone 2 51 - 4 - HG3 GLU 48 - HB2 GLU 13 lone 1 53 - 1 - HG2 GLU 92 - HB3 GLN 100 lone 1 58 - 1 - HG3 GLU 13 - HB3 GLN 100 lone 1 54 - 1 - HG3 GLU 89 - HB3 GLN 100 lone 0 55 - 1 - HG3 GLU 103 - HB2 GLU 13 lone 0 49 - 1 - HG3 GLU 103 - HB3 GLN 100 lone 0 53 - 0 - HG3 GLU 48 - HB3 GLN 100 lone 0 57 - 0 - Peak 5858 from cnoeabs.peaks (2.27, 2.05, 28.93 ppm; 2.64 A): 2 out of 21 assignments used, quality = 0.90: * HG3 GLU 92 + HB2 GLU 92 OK 85 100 - 85 - 3.0=68, 5874/1.8=9...(18) HG2 GLU 89 + HB2 GLU 92 OK 32 100 - 33 - 3.8/8180=5, 5873=4...(12) HG2 GLU 69 - HB2 GLU 92 lone 9 96 - 10 - 5873=1, 4.0/8090=1, 5852/3.0=1 HG3 GLU 92 - HB2 GLU 13 poor 6 54 - 11 - ~2633=2, 1.8/2632=2, 5873=1 HG2 GLU 103 - HB2 GLU 92 lone 6 94 - 6 - HG3 GLU 111 - HB2 GLU 92 lone 4 99 - 4 - HG2 GLU 89 - HB2 GLU 13 lone 2 53 - 3 - HB2 GLU 37 - HB2 GLU 92 lone 1 99 - 1 - HG2 GLU 69 - HB3 GLN 100 lone 1 52 - 2 - HG3 GLU 92 - HB3 GLN 100 lone 1 58 - 1 - HB2 GLU 37 - HB3 GLN 100 lone 1 56 - 1 - HG2 GLU 89 - HB3 GLN 100 lone 0 58 - 1 - HB3 ASN 8 - HB2 GLU 92 lone 0 96 - 0 - HG3 GLU 111 - HB3 GLN 100 lone 0 56 - 1 - HG2 GLU 69 - HB2 GLU 13 lone 0 48 - 1 - HB2 GLU 37 - HB2 GLU 13 lone 0 52 - 1 - HG2 GLU 103 - HB2 GLU 13 lone 0 46 - 0 - HG3 GLU 111 - HB2 GLU 13 lone 0 52 - 0 - HG2 GLU 103 - HB3 GLN 100 lone 0 50 - 0 - HB3 ASN 8 - HB3 GLN 100 lone 0 52 - 0 - HB3 ASN 8 - HB2 GLU 13 lone 0 48 - 0 - Peak 5859 from cnoeabs.peaks (8.09, 2.11, 28.93 ppm; 3.31 A): 4 out of 12 assignments used, quality = 0.94: * H GLU 92 + HB3 GLU 92 OK 84 100 - 84 - 4.0=56, 5853/1.8=18...(19) H PHE 93 + HB3 GLU 92 OK 45 77 - 58 - 4.6=37, 581/1.8=12...(8) H GLU 92 + HB3 GLU 119 OK 18 93 - 19 - 1606=4, 575/1.8=4...(4) H GLU 92 + HB2 GLU 119 OK 15 82 - 19 - 1606=4, 1606/1.8=4, 576/3.0=2 H GLU 128 - HB3 GLU 92 lone 5 99 - 5 - 5853/1.8=1, 2262/3.0=1 H PHE 93 - HB3 GLU 119 lone 4 66 - 6 - 582=2, 4.6/1606=1, 582/1.8=1 H PHE 93 - HB2 GLU 119 lone 3 57 - 6 - 582=2, 582/1.8=1, 4.6/1606=1 H SER 99 - HB3 GLU 92 lone 3 90 - 3 - 5853/1.8=1 H GLU 128 - HB3 GLU 119 lone 1 91 - 1 - H GLU 128 - HB2 GLU 119 lone 0 80 - 1 - H SER 99 - HB3 GLU 119 lone 0 79 - 1 - H SER 99 - HB2 GLU 119 lone 0 68 - 1 - Peak 5860 from cnoeabs.peaks (4.03, 2.11, 28.93 ppm; 2.87 A): 3 out of 36 assignments used, quality = 1.00: * HA GLU 92 + HB3 GLU 92 OK 96 100 - 96 - 3.0=87, 5854/1.8=15...(32) HA GLU 119 + HB3 GLU 119 OK 86 90 - 95 - 3.0=87, 6912/3.0=10...(20) HA GLU 119 + HB2 GLU 119 OK 76 79 - 95 - 3.0=87, 6912/3.0=10...(20) HA PHE 120 - HB3 GLU 119 OK 30 81 - 37 - 3.0/758=7, 6926/3.0=5...(11) HA PHE 120 - HB2 GLU 119 OK 26 70 - 37 - 3.0/758=7, 6926/3.0=5...(11) HA GLU 92 - HB3 GLU 119 OK 14 93 - 15 - 3.0/5859=2, 5850=2...(7) HA GLU 13 - HB3 GLU 92 OK 14 98 - 14 - 5854/1.8=2, 4.1/5863=1...(6) HA GLU 92 - HB2 GLU 119 OK 12 82 - 15 - 3.0/1606=2, 6932/3.0=2...(6) HA GLU 66 - HB3 GLU 92 lone 7 98 - 7 - 5854/1.8=1 HA GLU 119 - HB3 GLU 92 lone 6 99 - 6 - HB3 SER 126 - HB3 GLU 92 lone 3 100 - 3 - HA GLU 87 - HB3 GLU 92 lone 3 100 - 3 - HB2 SER 126 - HB3 GLU 92 lone 3 94 - 3 - HA PHE 120 - HB3 GLU 92 lone 2 92 - 2 - HA LYS 123 - HB3 GLU 119 lone 1 87 - 2 - HA LYS 123 - HB2 GLU 119 lone 1 76 - 2 - HA LYS 40 - HB3 GLU 119 lone 1 81 - 1 - HA LYS 123 - HB3 GLU 92 lone 1 97 - 1 - HA LYS 40 - HB2 GLU 119 lone 1 70 - 1 - HB3 SER 126 - HB3 GLU 119 lone 1 92 - 1 - HA GLU 13 - HB3 GLU 119 lone 1 89 - 1 - HB2 SER 126 - HB3 GLU 119 lone 1 84 - 1 - HB3 SER 126 - HB2 GLU 119 lone 1 82 - 1 - HA SER 35 - HB3 GLU 92 lone 1 81 - 1 - HA GLU 13 - HB2 GLU 119 lone 1 78 - 1 - HB2 SER 126 - HB2 GLU 119 lone 1 73 - 1 - HA GLU 66 - HB3 GLU 119 lone 1 89 - 1 - HA GLU 87 - HB3 GLU 119 lone 0 92 - 1 - HA GLU 66 - HB2 GLU 119 lone 0 78 - 1 - HA SER 35 - HB3 GLU 119 lone 0 70 - 1 - HA GLU 87 - HB2 GLU 119 lone 0 81 - 1 - HA LYS 40 - HB3 GLU 92 lone 0 92 - 0 - HA SER 35 - HB2 GLU 119 lone 0 60 - 1 - HA2 GLY 125 - HB3 GLU 92 lone 0 57 - 0 - HA2 GLY 125 - HB3 GLU 119 lone 0 48 - 0 - HA2 GLY 125 - HB2 GLU 119 lone 0 41 - 0 - Peak 5861 from cnoeabs.peaks (2.05, 2.11, 28.93 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 92 + HB3 GLU 92 OK 100 100 - 100 - 1.8=100 Peak 5862 from cnoeabs.peaks (2.11, 2.11, 28.93 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB3 GLU 92 + HB3 GLU 92 OK 100 100 - 100 HB3 GLU 119 + HB3 GLU 119 OK 87 87 - 100 HB2 GLU 119 + HB2 GLU 119 OK 70 70 - 100 Peak 5863 from cnoeabs.peaks (2.32, 2.11, 28.93 ppm; 2.83 A): 2 out of 15 assignments used, quality = 0.97: * HG2 GLU 92 + HB3 GLU 92 OK 95 100 - 95 - 3.0=84, 1.8/5864=18...(25) HG3 GLU 89 + HB3 GLU 92 OK 40 99 - 40 - 5868=7, 1.8/5864=7...(13) HG3 GLU 13 - HB3 GLU 92 OK 20 98 - 21 - 5868=4, 5857/1.8=3...(9) HG2 GLU 92 - HB3 GLU 119 poor 10 93 - 10 - 5868=2, 1.8/5864=2, 5868/1.8=1 HG3 GLU 103 - HB3 GLU 92 lone 9 97 - 9 - 1.8/5864=1, 5868=1, 5857/1.8=1 HG2 GLU 92 - HB2 GLU 119 lone 8 82 - 10 - 5868=2, 5868/1.8=1, 1.8/5864=1 HG3 GLU 48 - HB3 GLU 92 lone 4 100 - 4 - HG3 GLU 89 - HB3 GLU 119 lone 3 90 - 3 - HG3 GLU 89 - HB2 GLU 119 lone 3 79 - 3 - HG3 GLU 103 - HB3 GLU 119 lone 1 87 - 2 - HG3 GLU 103 - HB2 GLU 119 lone 1 76 - 2 - HG3 GLU 13 - HB3 GLU 119 lone 1 89 - 1 - HG3 GLU 13 - HB2 GLU 119 lone 1 78 - 1 - HG3 GLU 48 - HB3 GLU 119 lone 0 92 - 0 - HG3 GLU 48 - HB2 GLU 119 lone 0 81 - 0 - Peak 5864 from cnoeabs.peaks (2.27, 2.11, 28.93 ppm; 2.76 A): 3 out of 21 assignments used, quality = 0.95: * HG3 GLU 92 + HB3 GLU 92 OK 91 100 - 91 - 3.0=78, 1.8/5868=15...(24) HG2 GLU 89 + HB3 GLU 92 OK 35 100 - 35 - 1.8/5863=6, 5874=5...(12) HG2 GLU 69 + HB3 GLU 92 OK 11 96 - 11 - 4.0/8092=1, 5874=1...(4) HG3 GLU 92 - HB3 GLU 119 lone 8 93 - 9 - 1.8/5863=2, 5874=1 HG3 GLU 92 - HB2 GLU 119 lone 7 82 - 9 - 1.8/5863=1, 5874=1 HG2 GLU 103 - HB3 GLU 92 lone 7 94 - 7 - 1.8/5863=1 HG3 GLU 111 - HB3 GLU 92 lone 4 99 - 4 - HG2 GLU 89 - HB3 GLU 119 lone 3 92 - 3 - HG2 GLU 89 - HB2 GLU 119 lone 2 82 - 3 - HB2 GLU 37 - HB3 GLU 92 lone 1 99 - 1 - HG2 GLU 103 - HB3 GLU 119 lone 1 84 - 1 - HG2 GLU 103 - HB2 GLU 119 lone 1 73 - 1 - HG2 GLU 69 - HB3 GLU 119 lone 1 86 - 1 - HG3 GLU 111 - HB3 GLU 119 lone 1 91 - 1 - HG2 GLU 69 - HB2 GLU 119 lone 1 75 - 1 - HG3 GLU 111 - HB2 GLU 119 lone 1 80 - 1 - HB3 ASN 8 - HB3 GLU 92 lone 0 96 - 0 - HB2 GLU 37 - HB3 GLU 119 lone 0 91 - 0 - HB2 GLU 37 - HB2 GLU 119 lone 0 80 - 0 - HB3 ASN 8 - HB3 GLU 119 lone 0 86 - 0 - HB3 ASN 8 - HB2 GLU 119 lone 0 75 - 0 - Peak 5865 from cnoeabs.peaks (8.09, 2.32, 36.01 ppm; 3.70 A): 3 out of 20 assignments used, quality = 0.95: * H GLU 92 + HG2 GLU 92 OK 84 100 - 84 - 4.8=47, 1608/1.8=18...(22) H GLU 92 + HG3 GLU 89 OK 54 97 - 55 - 8178/3.8=14, 1607=13...(12) H PHE 93 + HG2 GLU 92 OK 36 77 - 47 - 582/3.0=12, 581/3.0=10...(7) H PHE 93 - HG3 GLU 89 OK 26 72 - 37 - 583=7, 8178/3.8=6...(9) H GLU 92 - HG3 GLU 13 OK 24 96 - 26 - 1607=6, ~2625=4...(9) H GLU 92 - HG3 GLU 103 poor 10 64 - 15 - 1607=4, 1608/1.8=3...(5) H PHE 93 - HG3 GLU 13 poor 8 70 - 12 - 3.6/5851=2, 4.6/1607=2...(5) H GLU 92 - HG3 GLU 48 lone 5 99 - 5 - 1607=1 H SER 99 - HG3 GLU 89 lone 5 84 - 6 - 2179/3.8=2 H GLU 128 - HG2 GLU 92 lone 5 99 - 5 - 2262/4.0=1 H GLU 128 - HG3 GLU 89 lone 4 96 - 4 - 2264/3.8=2 H PHE 93 - HG3 GLU 103 lone 3 42 - 8 - 583=2, 584/1.8=1...(4) H SER 99 - HG2 GLU 92 lone 3 90 - 3 - H SER 99 - HG3 GLU 13 lone 3 82 - 3 - H PHE 93 - HG3 GLU 48 lone 3 75 - 3 - H GLU 128 - HG3 GLU 13 lone 1 94 - 1 - H SER 99 - HG3 GLU 48 lone 1 88 - 1 - H GLU 128 - HG3 GLU 48 lone 1 98 - 1 - H SER 99 - HG3 GLU 103 lone 0 51 - 1 - H GLU 128 - HG3 GLU 103 lone 0 62 - 1 - Peak 5866 from cnoeabs.peaks (4.03, 2.32, 36.01 ppm; 3.07 A): 2 out of 60 assignments used, quality = 0.97: * HA GLU 92 + HG2 GLU 92 OK 83 100 - 83 - 4.0=46, 3.0/5863=13...(25) HA GLU 13 + HG3 GLU 13 OK 81 92 - 88 - 4.1=42, 2625/1.8=20...(15) HA GLU 92 - HG3 GLU 89 OK 43 97 - 45 - 5852/1.8=6, 5851=6...(16) HA GLU 92 - HG3 GLU 13 OK 23 96 - 25 - 2625/1.8=6, 5851=3...(10) HA GLU 13 - HG2 GLU 92 OK 18 98 - 18 - 3.0/1087=4, 2611=3...(7) HA GLU 87 - HG3 GLU 89 lone 10 97 - 10 - 2130/5.2=2, 5872/1.8=1...(4) HA GLU 66 - HG3 GLU 89 lone 8 94 - 9 - 2611=1, 5852/1.8=1 HA GLU 92 - HG3 GLU 103 poor 8 64 - 12 - 5851=2, 5852/1.8=2...(6) HA GLU 66 - HG2 GLU 92 lone 7 98 - 7 - 2611=1 HA GLU 119 - HG2 GLU 92 lone 7 99 - 7 - 3.0/5863=1, 3.0/5863=1 HA GLU 13 - HG3 GLU 89 lone 6 94 - 6 - 3.0/1087=1, 2611=1 HA GLU 92 - HG3 GLU 48 lone 4 99 - 4 - HA GLU 87 - HG2 GLU 92 lone 3 100 - 3 - HB3 SER 126 - HG2 GLU 92 lone 3 100 - 3 - HB2 SER 126 - HG2 GLU 92 lone 3 94 - 3 - HA GLU 119 - HG3 GLU 89 lone 2 95 - 3 - HA GLU 66 - HG3 GLU 13 lone 2 92 - 3 - HA GLU 13 - HG3 GLU 48 lone 2 97 - 2 - HA PHE 120 - HG2 GLU 92 lone 1 92 - 2 - HA GLU 119 - HG3 GLU 103 lone 1 61 - 2 - HA GLU 87 - HG3 GLU 13 lone 1 95 - 1 - HA GLU 119 - HG3 GLU 13 lone 1 93 - 1 - HA GLU 66 - HG3 GLU 48 lone 1 97 - 1 - HA GLU 87 - HG3 GLU 103 lone 1 63 - 2 - HA LYS 40 - HG3 GLU 13 lone 1 84 - 1 - HA LYS 123 - HG3 GLU 13 lone 1 90 - 1 - HA PHE 120 - HG3 GLU 13 lone 1 84 - 1 - HA LYS 123 - HG3 GLU 89 lone 1 93 - 1 - HB3 SER 126 - HG3 GLU 89 lone 1 97 - 1 - HB3 SER 126 - HG3 GLU 13 lone 1 95 - 1 - HA LYS 123 - HG2 GLU 92 lone 1 97 - 1 - HA GLU 66 - HG3 GLU 103 lone 1 60 - 1 - HB2 SER 126 - HG3 GLU 13 lone 1 87 - 1 - HB2 SER 126 - HG3 GLU 89 lone 1 89 - 1 - HA LYS 40 - HG3 GLU 103 lone 1 53 - 1 - HA GLU 13 - HG3 GLU 103 lone 1 60 - 1 - HA PHE 120 - HG3 GLU 89 lone 1 87 - 1 - HA SER 35 - HG2 GLU 92 lone 1 81 - 1 - HA SER 35 - HG3 GLU 89 lone 1 75 - 1 - HA GLU 87 - HG3 GLU 48 lone 0 99 - 0 - HA2 GLY 125 - HG2 GLU 92 lone 1 57 - 1 - HA GLU 119 - HG3 GLU 48 lone 0 98 - 0 - HA PHE 120 - HG3 GLU 103 lone 0 53 - 1 - HA LYS 40 - HG2 GLU 92 lone 0 92 - 0 - HA LYS 123 - HG3 GLU 103 lone 0 58 - 1 - HA LYS 40 - HG3 GLU 89 lone 0 87 - 0 - HA LYS 123 - HG3 GLU 48 lone 0 96 - 0 - HA2 GLY 125 - HG3 GLU 89 lone 0 53 - 1 - HB3 SER 126 - HG3 GLU 48 lone 0 99 - 0 - HB2 SER 126 - HG3 GLU 48 lone 0 92 - 0 - HA PHE 120 - HG3 GLU 48 lone 0 90 - 0 - HA LYS 40 - HG3 GLU 48 lone 0 90 - 0 - HB3 SER 126 - HG3 GLU 103 lone 0 63 - 0 - HA SER 35 - HG3 GLU 48 lone 0 79 - 0 - HA SER 35 - HG3 GLU 13 lone 0 73 - 0 - HB2 SER 126 - HG3 GLU 103 lone 0 55 - 0 - HA2 GLY 125 - HG3 GLU 13 lone 0 51 - 0 - HA2 GLY 125 - HG3 GLU 48 lone 0 56 - 0 - HA SER 35 - HG3 GLU 103 lone 0 44 - 0 - HA2 GLY 125 - HG3 GLU 103 lone 0 30 - 0 - Peak 5867 from cnoeabs.peaks (2.05, 2.32, 36.01 ppm; 2.40 A): 6 out of 90 assignments used, quality = 1.00: * HB2 GLU 92 + HG2 GLU 92 OK 74 100 - 74 - 3.0=51, 5858/1.8=15...(13) HB2 GLU 13 + HG3 GLU 13 OK 66 82 - 80 - 3.0=52, 1.8/2633=20...(16) HB3 GLU 89 + HG3 GLU 89 OK 53 78 - 68 - 3.0=51, 1.8/5762=7...(12) HB2 GLU 89 + HG3 GLU 89 OK 53 78 - 68 - 3.0=51, 1.8/5762=7...(12) HB3 GLU 48 + HG3 GLU 48 OK 50 82 - 62 - 3.0=51, 4088/1.8=8...(5) HB2 GLU 48 + HG3 GLU 48 OK 50 82 - 62 - 3.0=51, 4088/1.8=8...(5) HB2 GLU 92 - HG3 GLU 89 OK 28 97 - 29 - 5858/1.8=6, 5857=5...(9) HB3 GLU 89 - HG2 GLU 92 OK 22 84 - 26 - 3.0/5750=3, 5756=3...(12) HB2 GLU 89 - HG2 GLU 92 OK 22 84 - 26 - 3.0/5750=3, 5756=3...(12) HB2 GLU 92 - HG3 GLU 13 OK 14 96 - 15 - 5857=3, 2626/1.8=3...(6) HB2 GLU 13 - HG2 GLU 92 OK 11 90 - 12 - 1.8/2633=2, 2617=2...(4) HB2 GLU 47 - HG3 GLU 48 lone 5 99 - 5 - 7528/5.1=4 HB2 GLU 92 - HG3 GLU 103 lone 4 64 - 6 - 5857=1, 1.8/5863=1, 5858/1.8=1 HB3 GLU 91 - HG2 GLU 92 lone 3 73 - 5 - 4.6/1607=3 HB2 GLU 66 - HG2 GLU 92 lone 3 84 - 4 - HB2 GLU 13 - HG3 GLU 89 lone 3 84 - 3 - HB3 GLU 98 - HG3 GLU 13 lone 3 96 - 3 - HB2 GLU 66 - HG3 GLU 89 lone 2 78 - 3 - HB2 GLU 92 - HG3 GLU 48 lone 2 99 - 2 - HB3 GLU 87 - HG3 GLU 89 lone 2 78 - 3 - HB3 GLU 91 - HG3 GLU 89 lone 2 68 - 3 - 4.6/1607=2 HB3 GLU 89 - HG3 GLU 13 lone 2 76 - 2 - HB2 GLU 89 - HG3 GLU 13 lone 2 76 - 2 - HB3 GLU 91 - HG3 GLU 13 lone 1 66 - 2 - HB3 GLU 98 - HG3 GLU 89 lone 1 97 - 1 - HB2 GLU 89 - HG3 GLU 48 lone 1 82 - 1 - HB3 GLU 89 - HG3 GLU 48 lone 1 82 - 1 - HB2 GLU 13 - HG3 GLU 48 lone 1 88 - 1 - HB2 GLU 66 - HG3 GLU 13 lone 1 76 - 1 - HB3 GLU 98 - HG2 GLU 92 lone 1 100 - 1 - HB3 GLN 100 - HG3 GLU 13 lone 1 93 - 1 - HB3 GLN 100 - HG2 GLU 92 lone 1 99 - 1 - HB3 GLU 87 - HG2 GLU 92 lone 1 84 - 1 - HB3 GLU 89 - HG3 GLU 103 lone 1 47 - 1 - HB2 GLU 89 - HG3 GLU 103 lone 1 47 - 1 - HB3 GLN 85 - HG3 GLU 89 lone 1 78 - 1 - HB2 GLU 48 - HG2 GLU 92 lone 1 84 - 1 - HB3 GLU 48 - HG2 GLU 92 lone 1 84 - 1 - HB3 GLN 100 - HG3 GLU 89 lone 1 95 - 1 - HB3 GLN 85 - HG3 GLU 13 lone 1 76 - 1 - HB2 GLU 47 - HG2 GLU 92 lone 0 100 - 0 - HB2 LYS 94 - HG2 GLU 92 lone 0 70 - 1 - HB2 GLU 47 - HG3 GLU 89 lone 0 97 - 0 - HB2 GLU 47 - HG3 GLU 13 lone 0 95 - 0 - HB2 GLU 48 - HG3 GLU 89 lone 0 78 - 0 - HB3 GLU 48 - HG3 GLU 89 lone 0 78 - 0 - HB2 GLU 66 - HG3 GLU 48 lone 0 82 - 0 - HB VAL 117 - HG3 GLU 13 lone 0 92 - 0 - HB3 GLU 87 - HG3 GLU 13 lone 0 76 - 0 - HB3 GLN 85 - HG2 GLU 92 lone 0 84 - 0 - HB3 MET 67 - HG3 GLU 89 lone 0 96 - 0 - HB3 GLU 91 - HG3 GLU 48 lone 0 71 - 0 - HB2 LYS 94 - HG3 GLU 13 lone 0 62 - 0 - HB2 GLU 13 - HG3 GLU 103 lone 0 51 - 1 - HB3 GLU 98 - HG3 GLU 48 lone 0 99 - 0 - HB3 MET 67 - HG3 GLU 13 lone 0 94 - 0 - HB3 MET 67 - HG2 GLU 92 lone 0 99 - 0 - HB3 GLU 91 - HG3 GLU 103 lone 0 39 - 1 - HB3 GLU 48 - HG3 GLU 13 lone 0 76 - 0 - HB2 GLU 48 - HG3 GLU 13 lone 0 76 - 0 - HB2 GLN 28 - HG3 GLU 13 lone 0 87 - 0 - HB VAL 117 - HG3 GLU 89 lone 0 94 - 0 - HB VAL 117 - HG3 GLU 48 lone 0 97 - 0 - HB VAL 117 - HG2 GLU 92 lone 0 98 - 0 - HB3 MET 67 - HG3 GLU 48 lone 0 98 - 0 - HB2 LYS 94 - HG3 GLU 89 lone 0 64 - 0 - HB3 GLN 100 - HG3 GLU 48 lone 0 98 - 0 - HB3 GLU 87 - HG3 GLU 48 lone 0 82 - 0 - HB3 GLN 85 - HG3 GLU 48 lone 0 82 - 0 - HB2 GLU 66 - HG3 GLU 103 lone 0 47 - 0 - HB2 GLN 28 - HG2 GLU 92 lone 0 94 - 0 - HB2 GLN 28 - HG3 GLU 48 lone 0 92 - 0 - HG3 GLU 52 - HG2 GLU 92 lone 0 94 - 0 - HG3 GLU 52 - HG3 GLU 48 lone 0 92 - 0 - HB3 GLU 98 - HG3 GLU 103 lone 0 64 - 0 - HG3 GLU 52 - HG3 GLU 89 lone 0 89 - 0 - HB3 GLU 87 - HG3 GLU 103 lone 0 47 - 0 - HB2 GLN 28 - HG3 GLU 89 lone 0 89 - 0 - HG3 GLU 52 - HG3 GLU 13 lone 0 87 - 0 - HB3 GLN 100 - HG3 GLU 103 lone 0 61 - 0 - HB2 LYS 94 - HG3 GLU 48 lone 0 68 - 0 - HB2 GLU 47 - HG3 GLU 103 lone 0 63 - 0 - HB3 GLN 85 - HG3 GLU 103 lone 0 47 - 0 - HB VAL 117 - HG3 GLU 103 lone 0 60 - 0 - HB3 GLU 48 - HG3 GLU 103 lone 0 47 - 0 - HB2 GLU 48 - HG3 GLU 103 lone 0 47 - 0 - HB3 MET 67 - HG3 GLU 103 lone 0 62 - 0 - HB2 GLN 28 - HG3 GLU 103 lone 0 55 - 0 - HG3 GLU 52 - HG3 GLU 103 lone 0 55 - 0 - HB2 LYS 94 - HG3 GLU 103 lone 0 37 - 0 - Peak 5868 from cnoeabs.peaks (2.11, 2.32, 36.01 ppm; 2.41 A): 3 out of 80 assignments used, quality = 0.83: * HB3 GLU 92 + HG2 GLU 92 OK 73 100 - 73 - 3.0=52, 5864/1.8=13...(13) HB3 GLU 92 + HG3 GLU 89 OK 27 97 - 28 - 5863=6, 5864/1.8=5...(10) HB3 GLU 92 + HG3 GLU 13 OK 14 96 - 14 - 5863=3, 1.8/5857=2...(7) HB3 GLU 119 - HG2 GLU 92 lone 6 97 - 7 - 5863=2, 5864/1.8=1, 1.8/5863=1 HB2 GLU 119 - HG2 GLU 92 lone 6 92 - 6 - 5863=1, 1.8/5863=1, 5864/1.8=1 HB3 GLU 47 - HG3 GLU 48 lone 5 99 - 5 - 7529/5.1=4 HB3 GLU 92 - HG3 GLU 103 lone 4 64 - 6 - 5863=1 HB3 GLU 69 - HG2 GLU 92 lone 3 65 - 5 - ~5007=1 HB2 GLU 91 - HG2 GLU 92 lone 3 65 - 5 - 4.6/1607=3 HB3 GLU 66 - HG2 GLU 92 lone 3 81 - 4 - HB2 GLU 111 - HG3 GLU 89 lone 3 91 - 3 - 8181/3.8=1 HB3 GLU 66 - HG3 GLU 89 lone 3 75 - 3 - HB3 GLU 92 - HG3 GLU 48 lone 3 99 - 2 - HB2 GLU 87 - HG3 GLU 89 lone 2 78 - 3 - HB3 GLU 119 - HG3 GLU 89 lone 2 93 - 2 - HB2 GLU 91 - HG3 GLU 89 lone 2 61 - 3 - 4.6/1607=2 HB2 GLU 119 - HG3 GLU 89 lone 2 87 - 2 - HB2 GLU 111 - HG2 GLU 92 lone 1 96 - 1 - HB2 GLU 91 - HG3 GLU 13 lone 1 58 - 2 - HB VAL 107 - HG2 GLU 92 lone 1 94 - 1 - HB3 GLU 66 - HG3 GLU 13 lone 1 73 - 1 - HB2 GLU 87 - HG2 GLU 92 lone 1 84 - 1 - HB VAL 107 - HG3 GLU 89 lone 1 89 - 1 - HB2 GLU 111 - HG3 GLU 48 lone 1 94 - 1 - HB3 GLU 119 - HG3 GLU 103 lone 1 58 - 1 - HB3 GLU 69 - HG3 GLU 89 lone 1 61 - 1 - HB3 GLU 119 - HG3 GLU 13 lone 1 90 - 1 - HB2 GLU 119 - HG3 GLU 103 lone 1 53 - 1 - HB3 GLU 47 - HG2 GLU 92 lone 1 100 - 1 - HB2 GLU 119 - HG3 GLU 13 lone 1 84 - 1 - HB3 GLU 47 - HG3 GLU 89 lone 1 97 - 1 - HB2 LEU 38 - HG2 GLU 92 lone 0 97 - 0 - HB3 GLU 66 - HG3 GLU 48 lone 0 79 - 0 - HB2 GLU 87 - HG3 GLU 13 lone 0 76 - 0 - HB2 GLU 21 - HG3 GLU 89 lone 0 89 - 0 - HB2 LEU 38 - HG3 GLU 89 lone 0 93 - 0 - HB3 GLU 47 - HG3 GLU 13 lone 0 95 - 0 - HB VAL 107 - HG3 GLU 13 lone 0 87 - 0 - HB3 GLU 119 - HG3 GLU 48 lone 0 96 - 0 - HG3 GLN 83 - HG3 GLU 89 lone 0 87 - 0 - HB2 GLU 119 - HG3 GLU 48 lone 0 90 - 0 - HB2 GLU 91 - HG3 GLU 48 lone 0 64 - 0 - HB2 GLU 87 - HG3 GLU 48 lone 0 82 - 0 - HB2 GLU 111 - HG3 GLU 13 lone 0 89 - 0 - HB2 GLU 21 - HG2 GLU 92 lone 0 94 - 0 - HG3 GLN 83 - HG2 GLU 92 lone 0 92 - 0 - HG2 GLU 21 - HG3 GLU 89 lone 0 97 - 0 - HG3 GLU 21 - HG3 GLU 89 lone 0 97 - 0 - HB VAL 107 - HG3 GLU 48 lone 0 92 - 0 - HB3 GLU 66 - HG3 GLU 103 lone 0 44 - 1 - HB2 LEU 38 - HG3 GLU 48 lone 0 96 - 0 - HG2 GLU 21 - HG2 GLU 92 lone 0 100 - 0 - HB2 GLU 91 - HG3 GLU 103 lone 0 34 - 1 - HG3 GLU 21 - HG2 GLU 92 lone 0 100 - 0 - HB2 GLU 87 - HG3 GLU 103 lone 0 47 - 0 - HG2 GLU 21 - HG3 GLU 48 lone 0 99 - 0 - HG3 GLU 21 - HG3 GLU 48 lone 0 99 - 0 - HG2 GLU 52 - HG3 GLU 48 lone 0 96 - 0 - HB2 LEU 38 - HG3 GLU 13 lone 0 90 - 0 - HB2 GLU 21 - HG3 GLU 48 lone 0 92 - 0 - HG2 GLU 52 - HG2 GLU 92 lone 0 97 - 0 - HG2 GLU 52 - HG3 GLU 89 lone 0 93 - 0 - HG3 GLN 83 - HG3 GLU 48 lone 0 90 - 0 - HB2 GLU 21 - HG3 GLU 13 lone 0 87 - 0 - HB2 GLU 111 - HG3 GLU 103 lone 0 57 - 0 - HG2 GLU 21 - HG3 GLU 13 lone 0 96 - 0 - HG3 GLU 21 - HG3 GLU 13 lone 0 95 - 0 - HB3 GLU 69 - HG3 GLU 13 lone 0 58 - 0 - HG3 GLN 83 - HG3 GLU 13 lone 0 84 - 0 - HG2 GLU 52 - HG3 GLU 13 lone 0 90 - 0 - HB3 GLU 47 - HG3 GLU 103 lone 0 63 - 0 - HB VAL 107 - HG3 GLU 103 lone 0 55 - 0 - HB3 GLU 69 - HG3 GLU 48 lone 0 64 - 0 - HG2 GLU 21 - HG3 GLU 103 lone 0 63 - 0 - HG3 GLU 21 - HG3 GLU 103 lone 0 63 - 0 - HG2 GLU 52 - HG3 GLU 103 lone 0 58 - 0 - HB2 LEU 38 - HG3 GLU 103 lone 0 58 - 0 - HB3 GLU 69 - HG3 GLU 103 lone 0 34 - 0 - HG3 GLN 83 - HG3 GLU 103 lone 0 53 - 0 - HB2 GLU 21 - HG3 GLU 103 lone 0 55 - 0 - Peak 5869 from cnoeabs.peaks (2.32, 2.32, 36.01 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG2 GLU 92 + HG2 GLU 92 OK 100 100 - 100 HG3 GLU 48 + HG3 GLU 48 OK 99 99 - 100 HG3 GLU 89 + HG3 GLU 89 OK 95 95 - 100 HG3 GLU 13 + HG3 GLU 13 OK 92 92 - 100 HG3 GLU 103 + HG3 GLU 103 OK 58 58 - 100 Peak 5870 from cnoeabs.peaks (2.27, 2.32, 36.01 ppm; 2.40 A): 3 out of 3 assignments used, quality = 1.00: * HG3 GLU 92 + HG2 GLU 92 OK 100 100 - 100 - 1.8=100 HG2 GLU 89 + HG3 GLU 89 OK 97 97 - 100 - 1.8=100 HG2 GLU 103 + HG3 GLU 103 OK 55 55 - 100 - 1.8=100 Peak 5871 from cnoeabs.peaks (8.09, 2.27, 36.01 ppm; 3.87 A): 2 out of 20 assignments used, quality = 0.96: * H GLU 92 + HG3 GLU 92 OK 89 100 - 89 - 4.8=53, 1607/1.8=18...(24) H GLU 92 + HG2 GLU 89 OK 61 100 - 61 - 1608=15, 8178/3.8=15...(14) H PHE 93 - HG3 GLU 92 OK 41 77 - 53 - 4.6/5858=14, 582/3.0=13...(8) H PHE 93 - HG2 GLU 89 OK 31 76 - 41 - 584=8, 583/1.8=7...(9) H GLU 92 - HG2 GLU 69 OK 19 90 - 22 - 1608=5, ~8133=2...(9) H GLU 92 - HG2 GLU 103 poor 9 57 - 16 - 1608=3, 1607/1.8=3...(6) H GLU 92 - HG3 GLU 111 lone 9 99 - 9 - 1608=2, 8178/5749=1 H SER 99 - HG2 GLU 89 lone 6 89 - 7 - 2179/3.8=3, 631/3.0=1, 631/3.0=1 H GLU 128 - HG3 GLU 92 lone 6 99 - 6 - 2262/4.0=1, 5853/3.0=1 H PHE 93 - HG2 GLU 69 lone 6 64 - 9 - 4.6/1608=2, 3.6/5852=2...(5) H GLU 128 - HG2 GLU 89 lone 4 99 - 4 - 2264/3.8=2 H PHE 93 - HG3 GLU 111 lone 4 74 - 5 - 584=1 H SER 99 - HG3 GLU 92 lone 4 90 - 4 - 631/3.0=1 H PHE 93 - HG2 GLU 103 lone 3 37 - 9 - 584=2, 583/1.8=2...(4) H SER 99 - HG2 GLU 69 lone 2 76 - 3 - H GLU 128 - HG2 GLU 69 lone 2 89 - 2 - H SER 99 - HG3 GLU 111 lone 1 86 - 1 - H GLU 128 - HG3 GLU 111 lone 1 97 - 1 - H SER 99 - HG2 GLU 103 lone 0 46 - 1 - H GLU 128 - HG2 GLU 103 lone 0 56 - 1 - Peak 5872 from cnoeabs.peaks (4.03, 2.27, 36.01 ppm; 3.11 A): 2 out of 60 assignments used, quality = 0.92: * HA GLU 92 + HG3 GLU 92 OK 85 100 - 85 - 4.0=48, 3.0/5858=16...(27) HA GLU 92 + HG2 GLU 89 OK 48 100 - 48 - 5852=10, 3.0/1608=6...(16) HA GLU 66 - HG2 GLU 69 OK 21 86 - 25 - 8133/3.0=7, 5852=4...(9) HA GLU 13 - HG3 GLU 92 OK 16 98 - 17 - 2611/1.8=2, 5852=2...(8) HA GLU 92 - HG2 GLU 69 OK 15 90 - 16 - 8133/3.0=4, 5852=3...(7) HA GLU 87 - HG2 GLU 89 OK 10 99 - 11 - 2130/5.2=2, 5701/1.8=1 HA GLU 87 - HG3 GLU 111 lone 10 98 - 10 - 5701/1.8=2 HA GLU 66 - HG2 GLU 89 lone 9 98 - 9 - 5852=2, 2611/1.8=1 HA GLU 66 - HG3 GLU 92 lone 8 98 - 8 - 5852=1 HA GLU 92 - HG2 GLU 103 poor 8 57 - 13 - 5852=3, 5851/1.8=1...(6) HA GLU 119 - HG3 GLU 92 lone 7 99 - 7 - 3.0/5864=1, 3.0/5864=1 HA GLU 92 - HG3 GLU 111 lone 6 99 - 6 - 5852=1 HA GLU 13 - HG2 GLU 89 lone 5 98 - 5 - HA LYS 123 - HG2 GLU 69 lone 5 85 - 6 - 8133/3.0=2, 2107/5.1=2, 5852=1 HA GLU 66 - HG3 GLU 111 lone 3 96 - 3 - HA GLU 87 - HG3 GLU 92 lone 3 100 - 3 - HB3 SER 126 - HG3 GLU 92 lone 3 100 - 3 - HB2 SER 126 - HG3 GLU 92 lone 3 94 - 3 - HA GLU 119 - HG2 GLU 89 lone 3 98 - 3 - HA GLU 87 - HG2 GLU 69 lone 2 89 - 2 - HA PHE 120 - HG3 GLU 92 lone 2 92 - 2 - HA LYS 40 - HG2 GLU 69 lone 2 78 - 2 - HA GLU 119 - HG2 GLU 69 lone 1 87 - 2 - HA GLU 13 - HG2 GLU 69 lone 1 86 - 1 - HA SER 35 - HG3 GLU 111 lone 1 77 - 2 - HA GLU 119 - HG3 GLU 111 lone 1 97 - 1 - HA LYS 123 - HG3 GLU 92 lone 1 97 - 1 - HA SER 35 - HG2 GLU 69 lone 1 67 - 2 - HA PHE 120 - HG2 GLU 69 lone 1 78 - 1 - HA LYS 123 - HG2 GLU 89 lone 1 96 - 1 - HA GLU 119 - HG2 GLU 103 lone 1 55 - 2 - HB3 SER 126 - HG2 GLU 89 lone 1 100 - 1 - HB3 SER 126 - HG2 GLU 69 lone 1 90 - 1 - HA GLU 87 - HG2 GLU 103 lone 1 57 - 2 - HB2 SER 126 - HG2 GLU 89 lone 1 93 - 1 - HB2 SER 126 - HG2 GLU 69 lone 1 81 - 1 - HA LYS 123 - HG3 GLU 111 lone 1 94 - 1 - HA SER 35 - HG2 GLU 89 lone 1 80 - 1 - HA GLU 66 - HG2 GLU 103 lone 1 54 - 1 - HA SER 35 - HG3 GLU 92 lone 1 81 - 1 - HA PHE 120 - HG2 GLU 89 lone 1 91 - 1 - HA GLU 13 - HG3 GLU 111 lone 1 96 - 1 - HA LYS 40 - HG2 GLU 103 lone 1 48 - 1 - HA GLU 13 - HG2 GLU 103 lone 1 54 - 1 - HA PHE 120 - HG3 GLU 111 lone 0 89 - 1 - HA LYS 40 - HG3 GLU 92 lone 0 92 - 0 - HA2 GLY 125 - HG3 GLU 92 lone 0 57 - 1 - HB3 SER 126 - HG3 GLU 111 lone 0 98 - 0 - HA LYS 40 - HG2 GLU 89 lone 0 91 - 0 - HA PHE 120 - HG2 GLU 103 lone 0 48 - 1 - HB2 SER 126 - HG3 GLU 111 lone 0 91 - 0 - HA2 GLY 125 - HG2 GLU 89 lone 0 57 - 1 - HA LYS 40 - HG3 GLU 111 lone 0 89 - 0 - HA LYS 123 - HG2 GLU 103 lone 0 53 - 1 - HA2 GLY 125 - HG2 GLU 69 lone 0 46 - 1 - HB3 SER 126 - HG2 GLU 103 lone 0 57 - 0 - HB2 SER 126 - HG2 GLU 103 lone 0 49 - 0 - HA2 GLY 125 - HG3 GLU 111 lone 0 54 - 0 - HA SER 35 - HG2 GLU 103 lone 0 40 - 0 - HA2 GLY 125 - HG2 GLU 103 lone 0 26 - 0 - Peak 5873 from cnoeabs.peaks (2.05, 2.27, 36.01 ppm; 2.46 A): 3 out of 90 assignments used, quality = 0.96: * HB2 GLU 92 + HG3 GLU 92 OK 76 100 - 76 - 3.0=55, 1.8/5864=13...(15) HB3 GLU 89 + HG2 GLU 89 OK 59 83 - 71 - 3.0=55, 1.8/5755=8...(13) HB2 GLU 89 + HG2 GLU 89 OK 59 83 - 71 - 3.0=55, 1.8/5755=8...(13) HB2 GLU 92 - HG2 GLU 89 OK 32 100 - 33 - 5858=9, 1.8/5864=5...(9) HB3 GLU 89 - HG3 GLU 92 OK 23 84 - 27 - 3.0/5749=5, 5755=3...(12) HB2 GLU 89 - HG3 GLU 92 OK 23 84 - 27 - 3.0/5749=5, 5761=3...(12) HB2 GLU 92 - HG2 GLU 69 poor 9 90 - 10 - 5858=3, 1.8/5864=2, 8090/4.0=1 HB2 GLU 66 - HG2 GLU 69 poor 9 70 - 13 - 1.8/5013=2, ~5024=2...(6) HB2 GLU 13 - HG3 GLU 92 lone 9 90 - 10 - 2617/1.8=2, 5858=2, ~2633=1 HB2 GLU 89 - HG3 GLU 111 lone 5 80 - 6 - 3.0/5749=2, 4.0/1588=1 HB3 GLU 89 - HG3 GLU 111 lone 5 80 - 6 - 3.0/5749=2, 4.0/1588=1 HB3 GLU 91 - HG3 GLU 92 lone 4 73 - 6 - 4.6/1608=3 HB2 GLU 66 - HG3 GLU 92 lone 4 84 - 5 - HB2 GLU 92 - HG2 GLU 103 lone 4 57 - 7 - 5858=2, 1.8/5864=1 HB2 GLU 92 - HG3 GLU 111 lone 4 99 - 4 - 5858=1 HB2 GLU 66 - HG2 GLU 89 lone 4 83 - 4 - HB3 GLU 87 - HG2 GLU 89 lone 3 83 - 4 - HB3 GLU 87 - HG3 GLU 111 lone 3 80 - 3 - HB2 GLU 47 - HG2 GLU 69 lone 2 89 - 3 - 8091/4.0=1, 4.0/7651=1 HB2 GLU 13 - HG2 GLU 89 lone 2 89 - 3 - HB3 GLU 91 - HG2 GLU 89 lone 2 73 - 3 - 4.6/1608=2 HB3 MET 67 - HG2 GLU 69 lone 2 89 - 2 - HB3 GLN 100 - HG2 GLU 69 lone 1 87 - 2 - HB3 GLU 98 - HG2 GLU 89 lone 1 100 - 1 - HB2 GLU 66 - HG3 GLU 111 lone 1 80 - 2 - HB3 GLU 89 - HG2 GLU 69 lone 1 70 - 1 - HB2 GLU 89 - HG2 GLU 69 lone 1 70 - 1 - HB3 GLU 98 - HG3 GLU 92 lone 1 100 - 1 - HB3 GLN 100 - HG3 GLU 92 lone 1 99 - 1 - HB3 GLU 91 - HG2 GLU 69 lone 1 60 - 1 - HB3 GLU 87 - HG3 GLU 92 lone 1 84 - 1 - HB3 GLN 100 - HG2 GLU 89 lone 1 98 - 1 - HB2 GLU 89 - HG2 GLU 103 lone 1 42 - 2 - HB3 GLU 89 - HG2 GLU 103 lone 1 42 - 2 - HB3 GLN 85 - HG2 GLU 89 lone 1 83 - 1 - HB3 GLU 98 - HG2 GLU 69 lone 1 90 - 1 - HB3 GLU 91 - HG3 GLU 111 lone 1 70 - 1 - HB2 GLU 47 - HG3 GLU 111 lone 1 98 - 1 - HB2 LYS 94 - HG3 GLU 92 lone 1 70 - 1 - HB3 GLU 48 - HG3 GLU 92 lone 1 84 - 1 - HB2 GLU 48 - HG3 GLU 92 lone 1 84 - 1 - HB3 GLN 100 - HG3 GLU 111 lone 1 97 - 1 - HB2 GLU 47 - HG3 GLU 92 lone 1 100 - 1 - HB2 GLU 13 - HG2 GLU 69 lone 1 76 - 1 - HB2 GLU 47 - HG2 GLU 89 lone 0 99 - 0 - HB3 GLU 87 - HG2 GLU 69 lone 0 70 - 1 - HB3 MET 67 - HG2 GLU 89 lone 0 99 - 0 - HB3 GLN 85 - HG3 GLU 92 lone 0 84 - 0 - HB3 GLU 98 - HG3 GLU 111 lone 0 99 - 0 - HB3 MET 67 - HG3 GLU 92 lone 0 99 - 0 - HB3 GLN 85 - HG3 GLU 111 lone 0 80 - 0 - HB3 GLU 48 - HG2 GLU 89 lone 0 83 - 0 - HB2 GLU 48 - HG2 GLU 89 lone 0 83 - 0 - HB3 MET 67 - HG3 GLU 111 lone 0 97 - 0 - HB2 GLU 13 - HG3 GLU 111 lone 0 86 - 0 - HB VAL 117 - HG3 GLU 111 lone 0 96 - 0 - HB2 LYS 94 - HG2 GLU 89 lone 0 69 - 0 - HB VAL 117 - HG2 GLU 89 lone 0 98 - 0 - HB VAL 117 - HG2 GLU 69 lone 0 86 - 0 - HB VAL 117 - HG3 GLU 92 lone 0 98 - 0 - HB2 GLU 66 - HG2 GLU 103 lone 0 42 - 1 - HB3 GLU 91 - HG2 GLU 103 lone 0 35 - 1 - HB2 LYS 94 - HG2 GLU 69 lone 0 57 - 0 - HB3 GLN 85 - HG2 GLU 69 lone 0 70 - 0 - HB2 GLU 13 - HG2 GLU 103 lone 0 46 - 0 - HB2 GLN 28 - HG3 GLU 92 lone 0 94 - 0 - HB2 GLN 28 - HG2 GLU 69 lone 0 81 - 0 - HB2 GLU 48 - HG2 GLU 69 lone 0 70 - 0 - HB3 GLU 48 - HG2 GLU 69 lone 0 70 - 0 - HG3 GLU 52 - HG3 GLU 92 lone 0 94 - 0 - HG3 GLU 52 - HG2 GLU 89 lone 0 93 - 0 - HB3 GLU 48 - HG3 GLU 111 lone 0 80 - 0 - HB2 GLU 48 - HG3 GLU 111 lone 0 80 - 0 - HB2 GLN 28 - HG2 GLU 89 lone 0 93 - 0 - HB2 GLN 28 - HG3 GLU 111 lone 0 91 - 0 - HG3 GLU 52 - HG2 GLU 69 lone 0 81 - 0 - HG3 GLU 52 - HG3 GLU 111 lone 0 91 - 0 - HB2 LYS 94 - HG3 GLU 111 lone 0 66 - 0 - HB3 GLU 87 - HG2 GLU 103 lone 0 42 - 0 - HB3 GLN 100 - HG2 GLU 103 lone 0 55 - 0 - HB3 GLU 98 - HG2 GLU 103 lone 0 57 - 0 - HB3 MET 67 - HG2 GLU 103 lone 0 56 - 0 - HB2 GLU 47 - HG2 GLU 103 lone 0 57 - 0 - HB3 GLN 85 - HG2 GLU 103 lone 0 42 - 0 - HB VAL 117 - HG2 GLU 103 lone 0 54 - 0 - HG3 GLU 52 - HG2 GLU 103 lone 0 49 - 0 - HB2 GLN 28 - HG2 GLU 103 lone 0 49 - 0 - HB2 GLU 48 - HG2 GLU 103 lone 0 42 - 0 - HB3 GLU 48 - HG2 GLU 103 lone 0 42 - 0 - HB2 LYS 94 - HG2 GLU 103 lone 0 33 - 0 - Peak 5874 from cnoeabs.peaks (2.11, 2.27, 36.01 ppm; 2.47 A): 3 out of 80 assignments used, quality = 0.95: * HB3 GLU 92 + HG3 GLU 92 OK 78 100 - 78 - 3.0=56, 1.8/5858=16...(16) HB2 GLU 111 + HG3 GLU 111 OK 58 93 - 63 - 3.0=55, 3.0/6596=6...(6) HB3 GLU 69 + HG2 GLU 69 OK 41 53 - 77 - 3.0=56, 1.8/5017=15...(15) HB3 GLU 92 - HG2 GLU 89 OK 32 100 - 32 - 5864=7, 1.8/5858=6...(10) HB3 GLU 92 - HG2 GLU 69 lone 9 90 - 10 - 5864=2, 1.8/5858=2, 8092/4.0=1 HB3 GLU 66 - HG2 GLU 69 poor 8 67 - 12 - 5013=2, 5024/1.8=1...(6) HB3 GLU 119 - HG3 GLU 92 lone 7 97 - 7 - 5864=2, 5863/1.8=1, 1.8/5864=1 HB2 GLU 119 - HG3 GLU 92 lone 6 92 - 7 - 5864=1, 1.8/5864=1, 5863/1.8=1 HB3 GLU 69 - HG3 GLU 111 lone 5 62 - 8 - 1.8/5007=2, 5013=1 HB3 GLU 69 - HG3 GLU 92 lone 5 65 - 7 - 1.8/5007=2 HB3 GLU 92 - HG2 GLU 103 lone 4 57 - 7 - 5864=1, 5863/1.8=1, 1.8/5858=1 HB3 GLU 66 - HG3 GLU 92 lone 4 81 - 5 - HB2 GLU 111 - HG2 GLU 89 lone 4 95 - 4 - 8181/3.8=1 HB3 GLU 66 - HG2 GLU 89 lone 4 80 - 4 - HB2 GLU 91 - HG3 GLU 92 lone 4 65 - 5 - 4.6/1608=3 HB3 GLU 92 - HG3 GLU 111 lone 3 99 - 3 - HB2 GLU 87 - HG2 GLU 89 lone 3 83 - 4 - HB2 GLU 87 - HG3 GLU 111 lone 3 80 - 4 - HB3 GLU 47 - HG2 GLU 69 lone 3 89 - 3 - 8093/4.0=1, 4.0/7651=1 HB3 GLU 119 - HG2 GLU 89 lone 2 96 - 3 - HB2 GLU 91 - HG2 GLU 89 lone 2 65 - 4 - 4.6/1608=2 HB2 GLU 119 - HG2 GLU 89 lone 2 91 - 2 - HB2 GLU 111 - HG2 GLU 69 lone 2 83 - 3 - HB2 GLU 111 - HG3 GLU 92 lone 1 96 - 2 - HB2 LEU 38 - HG2 GLU 69 lone 1 85 - 2 - HB3 GLU 66 - HG3 GLU 111 lone 1 77 - 2 - HB3 GLU 69 - HG2 GLU 89 lone 1 65 - 2 - HB VAL 107 - HG3 GLU 92 lone 1 94 - 1 - HB2 GLU 87 - HG3 GLU 92 lone 1 84 - 1 - HB VAL 107 - HG2 GLU 89 lone 1 93 - 1 - HB3 GLU 119 - HG3 GLU 111 lone 1 94 - 1 - HB2 GLU 91 - HG2 GLU 69 lone 1 53 - 1 - HB3 GLU 119 - HG2 GLU 69 lone 1 85 - 1 - HB2 LEU 38 - HG3 GLU 111 lone 1 94 - 1 - HB2 GLU 119 - HG3 GLU 111 lone 1 89 - 1 - HB VAL 107 - HG3 GLU 111 lone 1 91 - 1 - HB3 GLU 47 - HG3 GLU 111 lone 1 98 - 1 - HB2 GLU 119 - HG2 GLU 69 lone 1 78 - 1 - HB2 LEU 38 - HG3 GLU 92 lone 1 97 - 1 - HB3 GLU 47 - HG2 GLU 89 lone 1 99 - 1 - HB3 GLU 47 - HG3 GLU 92 lone 1 100 - 1 - HB2 LEU 38 - HG2 GLU 89 lone 1 96 - 1 - HB2 GLU 87 - HG2 GLU 69 lone 1 70 - 1 - HB2 GLU 91 - HG3 GLU 111 lone 1 62 - 1 - HB3 GLU 119 - HG2 GLU 103 lone 1 53 - 1 - HG3 GLN 83 - HG3 GLU 111 lone 0 89 - 1 - HB2 GLU 119 - HG2 GLU 103 lone 0 48 - 1 - HG3 GLN 83 - HG2 GLU 89 lone 0 91 - 0 - HB2 GLU 21 - HG2 GLU 89 lone 0 93 - 0 - HB VAL 107 - HG2 GLU 69 lone 0 81 - 0 - HG3 GLU 21 - HG3 GLU 111 lone 0 98 - 0 - HG2 GLU 21 - HG3 GLU 111 lone 0 99 - 0 - HG3 GLN 83 - HG3 GLU 92 lone 0 92 - 0 - HB2 GLU 21 - HG3 GLU 92 lone 0 94 - 0 - HG2 GLU 21 - HG2 GLU 89 lone 0 100 - 0 - HG3 GLU 21 - HG2 GLU 89 lone 0 99 - 0 - HG2 GLU 21 - HG2 GLU 69 lone 0 90 - 0 - HG3 GLU 21 - HG2 GLU 69 lone 0 89 - 0 - HB2 GLU 21 - HG2 GLU 69 lone 0 81 - 0 - HB2 GLU 111 - HG2 GLU 103 lone 0 51 - 0 - HG2 GLU 21 - HG3 GLU 92 lone 0 100 - 0 - HG3 GLU 21 - HG3 GLU 92 lone 0 100 - 0 - HB3 GLU 66 - HG2 GLU 103 lone 0 40 - 1 - HB2 GLU 21 - HG3 GLU 111 lone 0 91 - 0 - HG2 GLU 52 - HG2 GLU 89 lone 0 96 - 0 - HG2 GLU 52 - HG3 GLU 92 lone 0 97 - 0 - HB2 GLU 87 - HG2 GLU 103 lone 0 42 - 0 - HB2 GLU 91 - HG2 GLU 103 lone 0 31 - 1 - HG3 GLN 83 - HG2 GLU 69 lone 0 78 - 0 - HG2 GLU 52 - HG2 GLU 69 lone 0 85 - 0 - HG2 GLU 52 - HG3 GLU 111 lone 0 94 - 0 - HB2 LEU 38 - HG2 GLU 103 lone 0 53 - 0 - HB VAL 107 - HG2 GLU 103 lone 0 49 - 0 - HB3 GLU 69 - HG2 GLU 103 lone 0 31 - 0 - HB3 GLU 47 - HG2 GLU 103 lone 0 57 - 0 - HG2 GLU 21 - HG2 GLU 103 lone 0 57 - 0 - HG3 GLU 21 - HG2 GLU 103 lone 0 57 - 0 - HG2 GLU 52 - HG2 GLU 103 lone 0 53 - 0 - HB2 GLU 21 - HG2 GLU 103 lone 0 49 - 0 - HG3 GLN 83 - HG2 GLU 103 lone 0 48 - 0 - Peak 5875 from cnoeabs.peaks (2.32, 2.27, 36.01 ppm; 2.40 A): 3 out of 3 assignments used, quality = 1.00: * HG2 GLU 92 + HG3 GLU 92 OK 100 100 - 100 - 1.8=100 HG3 GLU 89 + HG2 GLU 89 OK 98 98 - 100 - 1.8=100 HG3 GLU 103 + HG2 GLU 103 OK 53 53 - 100 - 1.8=100 Peak 5876 from cnoeabs.peaks (2.27, 2.27, 36.01 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG3 GLU 92 + HG3 GLU 92 OK 100 100 - 100 HG2 GLU 89 + HG2 GLU 89 OK 100 100 - 100 HG3 GLU 111 + HG3 GLU 111 OK 97 97 - 100 HG2 GLU 69 + HG2 GLU 69 OK 83 83 - 100 HG2 GLU 103 + HG2 GLU 103 OK 49 49 - 100 Peak 5877 from cnoeabs.peaks (8.10, 4.34, 60.45 ppm; 3.28 A): 2 out of 2 assignments used, quality = 1.00: * H PHE 93 + HA PHE 93 OK 100 100 - 100 - 3.0=100 H SER 99 + HA SER 99 OK 98 98 - 100 - 2.9=100 Peak 5878 from cnoeabs.peaks (4.34, 4.34, 60.45 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA PHE 93 + HA PHE 93 OK 100 100 - 100 HA SER 99 + HA SER 99 OK 98 98 - 100 Peak 5879 from cnoeabs.peaks (3.29, 4.34, 60.45 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 93 + HA PHE 93 OK 100 100 - 100 - 3.0=100 Peak 5880 from cnoeabs.peaks (3.04, 4.34, 60.45 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 93 + HA PHE 93 OK 100 100 - 100 - 3.0=100 Peak 5884 from cnoeabs.peaks (7.22, 4.34, 60.45 ppm; 3.71 A): 1 out of 6 assignments used, quality = 0.99: * QD PHE 93 + HA PHE 93 OK 99 100 - 99 - 3.7=99 QD PHE 93 - HA SER 99 lone 2 98 - 2 - HE21 GLN 83 - HA PHE 93 lone 1 70 - 1 - HE22 GLN 83 - HA PHE 93 lone 1 65 - 1 - HE21 GLN 83 - HA SER 99 lone 0 67 - 0 - HE22 GLN 83 - HA SER 99 lone 0 63 - 0 - Peak 5885 from cnoeabs.peaks (8.10, 3.29, 38.99 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 93 + HB2 PHE 93 OK 100 100 - 100 - 3.6=100 Peak 5886 from cnoeabs.peaks (4.34, 3.29, 38.99 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 93 + HB2 PHE 93 OK 100 100 - 100 - 3.0=100 Peak 5887 from cnoeabs.peaks (3.29, 3.29, 38.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 93 + HB2 PHE 93 OK 100 100 - 100 Peak 5888 from cnoeabs.peaks (3.04, 3.29, 38.99 ppm; 3.21 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 93 + HB2 PHE 93 OK 100 100 - 100 - 1.8=100 Peak 5892 from cnoeabs.peaks (7.22, 3.29, 38.99 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 93 + HB2 PHE 93 OK 100 100 - 100 - 2.4=100 Peak 5893 from cnoeabs.peaks (8.10, 3.04, 38.99 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 93 + HB3 PHE 93 OK 100 100 - 100 - 3.6=100 Peak 5894 from cnoeabs.peaks (4.34, 3.04, 38.99 ppm; 3.99 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 93 + HB3 PHE 93 OK 100 100 - 100 - 3.0=100 Peak 5895 from cnoeabs.peaks (3.29, 3.04, 38.99 ppm; 3.25 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 93 + HB3 PHE 93 OK 100 100 - 100 - 1.8=100 Peak 5896 from cnoeabs.peaks (3.04, 3.04, 38.99 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 PHE 93 + HB3 PHE 93 OK 100 100 - 100 HB2 PHE 51 + HB2 PHE 51 OK 77 77 - 100 Peak 5900 from cnoeabs.peaks (7.22, 3.04, 38.99 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 93 + HB3 PHE 93 OK 100 100 - 100 - 2.4=100 Peak 5915 from cnoeabs.peaks (7.14, 7.14, 130.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 93 + QE PHE 93 OK 100 100 - 100 Peak 5916 from cnoeabs.peaks (7.22, 7.14, 130.60 ppm; 3.51 A): 1 out of 1 assignment used, quality = 0.99: * QD PHE 93 + QE PHE 93 OK 99 99 - 100 - 2.2=100 Peak 5918 from cnoeabs.peaks (4.34, 7.22, 131.64 ppm; 4.95 A): 1 out of 1 assignment used, quality = 0.94: * HA PHE 93 + QD PHE 93 OK 94 94 - 100 - 3.7=100 Peak 5919 from cnoeabs.peaks (3.29, 7.22, 131.64 ppm; 5.79 A): 1 out of 1 assignment used, quality = 0.94: * HB2 PHE 93 + QD PHE 93 OK 94 94 - 100 - 2.4=100 Peak 5920 from cnoeabs.peaks (3.04, 7.22, 131.64 ppm; 5.14 A): 1 out of 1 assignment used, quality = 0.94: * HB3 PHE 93 + QD PHE 93 OK 94 94 - 100 - 2.4=100 Peak 5923 from cnoeabs.peaks (7.14, 7.22, 131.64 ppm; 3.51 A): 1 out of 1 assignment used, quality = 0.94: * QE PHE 93 + QD PHE 93 OK 94 94 - 100 - 2.2=100 Peak 5924 from cnoeabs.peaks (7.22, 7.22, 131.64 ppm; diagonal): 1 out of 1 assignment used, quality = 0.93: * QD PHE 93 + QD PHE 93 OK 93 93 - 100 Peak 5925 from cnoeabs.peaks (8.61, 3.62, 60.08 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 94 + HA LYS 94 OK 100 100 - 100 - 3.0=100 Peak 5926 from cnoeabs.peaks (3.62, 3.62, 60.08 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 94 + HA LYS 94 OK 100 100 - 100 Peak 5927 from cnoeabs.peaks (2.07, 3.62, 60.08 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 94 + HA LYS 94 OK 100 100 - 100 - 3.0=100 Peak 5928 from cnoeabs.peaks (1.74, 3.62, 60.08 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 94 + HA LYS 94 OK 100 100 - 100 - 3.0=100 Peak 5929 from cnoeabs.peaks (1.37, 3.62, 60.08 ppm; 3.88 A): 1 out of 7 assignments used, quality = 0.99: * HG2 LYS 94 + HA LYS 94 OK 99 100 - 99 - 4.0=92, 1.8/5930=36...(18) HB3 LEU 81 - HA LYS 94 lone 8 84 - 9 - 3.1/10102=2, ~9943=2...(4) HG3 LYS 43 - HA LYS 94 lone 6 100 - 6 - 597/3.6=3, 1621/3.0=2 HG2 LYS 40 - HA LYS 94 lone 6 92 - 6 - 597/3.6=3, 1621/3.0=2 HB3 LEU 68 - HA LYS 94 lone 6 87 - 6 - 3.1/10104=2, 1621/3.0=2, ~8145=1 HG LEU 14 - HA LYS 94 lone 5 94 - 5 - 3.0/8214=1 HG2 LYS 77 - HA LYS 94 lone 3 81 - 4 - 11288/10122=1 Peak 5930 from cnoeabs.peaks (1.32, 3.62, 60.08 ppm; 3.79 A): 1 out of 2 assignments used, quality = 0.98: * HG3 LYS 94 + HA LYS 94 OK 98 100 - 98 - 4.0=86, 1.8/5929=27...(19) HB3 LEU 55 - HA LYS 94 lone 6 100 - 6 - 1622/3.0=1, 3.1/10103=1 Peak 5931 from cnoeabs.peaks (1.54, 3.62, 60.08 ppm; 4.91 A): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 94 + HA LYS 94 OK 100 100 - 100 - 4.7=100 * HD2 LYS 94 + HA LYS 94 OK 100 100 - 100 - 4.7=100 Peak 5932 from cnoeabs.peaks (1.54, 3.62, 60.08 ppm; 4.91 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 94 + HA LYS 94 OK 100 100 - 100 - 4.7=100 HD2 LYS 94 + HA LYS 94 OK 100 100 - 100 - 4.7=100 Peak 5935 from cnoeabs.peaks (8.61, 2.07, 32.47 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 94 + HB2 LYS 94 OK 100 100 - 100 - 3.9=100 Peak 5936 from cnoeabs.peaks (3.62, 2.07, 32.47 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 94 + HB2 LYS 94 OK 100 100 - 100 - 3.0=100 Peak 5937 from cnoeabs.peaks (2.07, 2.07, 32.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 94 + HB2 LYS 94 OK 100 100 - 100 Peak 5938 from cnoeabs.peaks (1.74, 2.07, 32.47 ppm; 3.32 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 94 + HB2 LYS 94 OK 100 100 - 100 - 1.8=100 Peak 5939 from cnoeabs.peaks (1.37, 2.07, 32.47 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 94 + HB2 LYS 94 OK 100 100 - 100 - 3.0=100 Peak 5940 from cnoeabs.peaks (1.32, 2.07, 32.47 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 94 + HB2 LYS 94 OK 100 100 - 100 - 3.0=100 Peak 5941 from cnoeabs.peaks (1.54, 2.07, 32.47 ppm; 4.33 A): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 94 + HB2 LYS 94 OK 100 100 - 100 - 3.6=100 * HD2 LYS 94 + HB2 LYS 94 OK 100 100 - 100 - 3.6=100 Peak 5942 from cnoeabs.peaks (1.54, 2.07, 32.47 ppm; 4.33 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 94 + HB2 LYS 94 OK 100 100 - 100 - 3.6=100 HD2 LYS 94 + HB2 LYS 94 OK 100 100 - 100 - 3.6=100 Peak 5943 from cnoeabs.peaks (3.02, 2.07, 32.47 ppm; 5.97 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 94 + HB2 LYS 94 OK 100 100 - 100 - 4.8=100 Peak 5944 from cnoeabs.peaks (2.92, 2.07, 32.47 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 94 + HB2 LYS 94 OK 100 100 - 100 - 4.8=100 Peak 5945 from cnoeabs.peaks (8.61, 1.74, 32.47 ppm; 3.82 A): 1 out of 8 assignments used, quality = 0.99: * H LYS 94 + HB3 LYS 94 OK 99 100 - 99 - 3.9=95, 1619/1.8=29...(12) H LEU 80 - HB3 LYS 94 lone 10 99 - 10 - 4.7/10980=3, 4.7/10980=3 H ILE 71 - HB3 LYS 94 lone 7 96 - 7 - 4.7/10979=2, 4.7/10979=2 H ALA 124 - HB3 LYS 94 lone 4 99 - 4 - 593/4.4=1 H THR 108 - HB3 LYS 94 lone 2 100 - 2 - H GLN 85 - HB3 LYS 94 lone 2 90 - 2 - H LYS 49 - HB3 LYS 94 lone 1 100 - 1 - H ASP 12 - HB3 LYS 94 lone 0 57 - 1 - Peak 5946 from cnoeabs.peaks (3.62, 1.74, 32.47 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 94 + HB3 LYS 94 OK 100 100 - 100 - 3.0=100 Peak 5947 from cnoeabs.peaks (2.07, 1.74, 32.47 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 94 + HB3 LYS 94 OK 100 100 - 100 - 1.8=100 Peak 5948 from cnoeabs.peaks (1.74, 1.74, 32.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 94 + HB3 LYS 94 OK 100 100 - 100 Peak 5949 from cnoeabs.peaks (1.37, 1.74, 32.47 ppm; 3.98 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 94 + HB3 LYS 94 OK 100 100 - 100 - 3.0=100 Peak 5950 from cnoeabs.peaks (1.32, 1.74, 32.47 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 94 + HB3 LYS 94 OK 100 100 - 100 - 3.0=100 Peak 5951 from cnoeabs.peaks (1.54, 1.74, 32.47 ppm; 3.98 A): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 94 + HB3 LYS 94 OK 100 100 - 100 - 3.6=100 * HD2 LYS 94 + HB3 LYS 94 OK 100 100 - 100 - 3.6=100 Peak 5952 from cnoeabs.peaks (1.54, 1.74, 32.47 ppm; 3.98 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 94 + HB3 LYS 94 OK 100 100 - 100 - 3.6=100 HD2 LYS 94 + HB3 LYS 94 OK 100 100 - 100 - 3.6=100 Peak 5953 from cnoeabs.peaks (3.02, 1.74, 32.47 ppm; 5.38 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 94 + HB3 LYS 94 OK 100 100 - 100 - 4.8=100 Peak 5955 from cnoeabs.peaks (8.61, 1.37, 24.71 ppm; 5.92 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 94 + HG2 LYS 94 OK 100 100 - 100 - 4.9=100 Peak 5956 from cnoeabs.peaks (3.62, 1.37, 24.71 ppm; 5.00 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 94 + HG2 LYS 94 OK 100 100 - 100 - 4.0=100 Peak 5957 from cnoeabs.peaks (2.07, 1.37, 24.71 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 94 + HG2 LYS 94 OK 100 100 - 100 - 3.0=100 Peak 5958 from cnoeabs.peaks (1.74, 1.37, 24.71 ppm; 3.20 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 94 + HG2 LYS 94 OK 100 100 - 100 - 3.0=100 Peak 5959 from cnoeabs.peaks (1.37, 1.37, 24.71 ppm; diagonal): 2 out of 4 assignments used, quality = 1.00: * HG2 LYS 94 + HG2 LYS 94 OK 100 100 - 100 HG3 LYS 43 + HG3 LYS 43 OK 84 84 - 100 HG2 LYS 40 - HG2 LYS 40 OK 40 40 - 100 HG2 LYS 77 - HG2 LYS 77 OK 28 28 - 100 Peak 5960 from cnoeabs.peaks (1.32, 1.37, 24.71 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 94 + HG2 LYS 94 OK 100 100 - 100 - 1.8=100 Peak 5961 from cnoeabs.peaks (1.54, 1.37, 24.71 ppm; 2.66 A): 2 out of 24 assignments used, quality = 0.98: * HD2 LYS 94 + HG2 LYS 94 OK 87 100 - 87 - 3.0=73, 5972/1.8=15...(12) HD3 LYS 94 + HG2 LYS 94 OK 87 100 - 87 - 3.0=73, 5972/1.8=15...(12) QB ALA 46 - HG3 LYS 43 poor 7 64 - 12 - 8086/3.9=7, 2.9/424=1 QB ALA 46 - HG2 LYS 94 lone 3 84 - 3 - HD2 LYS 94 - HG3 LYS 43 lone 2 84 - 3 - 11106/3.9=1 HD3 LYS 94 - HG3 LYS 43 lone 2 84 - 3 - 11106/3.9=1 HG2 LYS 65 - HG2 LYS 94 lone 2 87 - 2 - HG LEU 38 - HG2 LYS 94 lone 1 73 - 1 - HD3 LYS 94 - HG2 LYS 40 lone 1 48 - 1 - HD2 LYS 94 - HG2 LYS 40 lone 1 48 - 1 - HG2 LYS 65 - HG3 LYS 43 lone 0 67 - 1 - HG2 LYS 65 - HG2 LYS 77 lone 0 31 - 1 - QB ALA 46 - HG2 LYS 40 lone 0 35 - 1 - HG LEU 38 - HG3 LYS 43 lone 0 55 - 0 - HG2 LYS 65 - HG2 LYS 40 lone 0 36 - 1 - HG LEU 6 - HG2 LYS 94 lone 0 70 - 0 - HD2 LYS 94 - HG2 LYS 77 lone 0 41 - 0 - HD3 LYS 94 - HG2 LYS 77 lone 0 41 - 0 - HG LEU 6 - HG3 LYS 43 lone 0 51 - 0 - HG LEU 38 - HG2 LYS 77 lone 0 25 - 0 - HG LEU 38 - HG2 LYS 40 lone 0 29 - 0 - QB ALA 46 - HG2 LYS 77 lone 0 30 - 0 - HG LEU 6 - HG2 LYS 40 lone 0 27 - 0 - HG LEU 6 - HG2 LYS 77 lone 0 23 - 0 - Peak 5962 from cnoeabs.peaks (1.54, 1.37, 24.71 ppm; 2.66 A): 2 out of 24 assignments used, quality = 0.98: HD2 LYS 94 + HG2 LYS 94 OK 87 100 - 87 - 3.0=73, 5972/1.8=15...(12) * HD3 LYS 94 + HG2 LYS 94 OK 87 100 - 87 - 3.0=73, 5972/1.8=15...(12) QB ALA 46 - HG3 LYS 43 poor 7 64 - 12 - 8086/3.9=7, 2.9/424=1 QB ALA 46 - HG2 LYS 94 lone 3 84 - 3 - HD2 LYS 94 - HG3 LYS 43 lone 2 84 - 3 - 11106/3.9=1 HD3 LYS 94 - HG3 LYS 43 lone 2 84 - 3 - 11106/3.9=1 HG2 LYS 65 - HG2 LYS 94 lone 2 87 - 2 - HG LEU 38 - HG2 LYS 94 lone 1 73 - 1 - HD3 LYS 94 - HG2 LYS 40 lone 1 48 - 1 - HD2 LYS 94 - HG2 LYS 40 lone 1 48 - 1 - HG2 LYS 65 - HG3 LYS 43 lone 0 67 - 1 - HG2 LYS 65 - HG2 LYS 77 lone 0 31 - 1 - QB ALA 46 - HG2 LYS 40 lone 0 35 - 1 - HG LEU 38 - HG3 LYS 43 lone 0 55 - 0 - HG2 LYS 65 - HG2 LYS 40 lone 0 36 - 1 - HG LEU 6 - HG2 LYS 94 lone 0 70 - 0 - HD2 LYS 94 - HG2 LYS 77 lone 0 41 - 0 - HD3 LYS 94 - HG2 LYS 77 lone 0 41 - 0 - HG LEU 6 - HG3 LYS 43 lone 0 51 - 0 - HG LEU 38 - HG2 LYS 77 lone 0 25 - 0 - HG LEU 38 - HG2 LYS 40 lone 0 29 - 0 - QB ALA 46 - HG2 LYS 77 lone 0 30 - 0 - HG LEU 6 - HG2 LYS 40 lone 0 27 - 0 - HG LEU 6 - HG2 LYS 77 lone 0 23 - 0 - Peak 5963 from cnoeabs.peaks (3.02, 1.37, 24.71 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 94 + HG2 LYS 94 OK 100 100 - 100 - 3.8=100 Peak 5964 from cnoeabs.peaks (2.92, 1.37, 24.71 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 94 + HG2 LYS 94 OK 100 100 - 100 - 3.8=100 Peak 5965 from cnoeabs.peaks (8.61, 1.32, 24.71 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 94 + HG3 LYS 94 OK 100 100 - 100 - 4.9=100 Peak 5966 from cnoeabs.peaks (3.62, 1.32, 24.71 ppm; 5.58 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 94 + HG3 LYS 94 OK 100 100 - 100 - 4.0=100 Peak 5967 from cnoeabs.peaks (2.07, 1.32, 24.71 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 94 + HG3 LYS 94 OK 100 100 - 100 - 3.0=100 Peak 5968 from cnoeabs.peaks (1.74, 1.32, 24.71 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 94 + HG3 LYS 94 OK 100 100 - 100 - 3.0=100 Peak 5969 from cnoeabs.peaks (1.37, 1.32, 24.71 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 94 + HG3 LYS 94 OK 100 100 - 100 - 1.8=100 Peak 5970 from cnoeabs.peaks (1.32, 1.32, 24.71 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 94 + HG3 LYS 94 OK 100 100 - 100 Peak 5971 from cnoeabs.peaks (1.54, 1.32, 24.71 ppm; 2.67 A): 2 out of 6 assignments used, quality = 0.99: * HD2 LYS 94 + HG3 LYS 94 OK 88 100 - 88 - 3.0=74, 5961/1.8=14...(13) HD3 LYS 94 + HG3 LYS 94 OK 88 100 - 88 - 3.0=74, 5961/1.8=14...(13) QB ALA 46 - HG3 LYS 94 lone 3 84 - 3 - HG2 LYS 65 - HG3 LYS 94 lone 1 87 - 1 - HG LEU 38 - HG3 LYS 94 lone 1 73 - 1 - HG LEU 6 - HG3 LYS 94 lone 0 70 - 0 - Peak 5972 from cnoeabs.peaks (1.54, 1.32, 24.71 ppm; 2.67 A): 2 out of 6 assignments used, quality = 0.99: HD2 LYS 94 + HG3 LYS 94 OK 88 100 - 88 - 3.0=74, 5961/1.8=14...(13) * HD3 LYS 94 + HG3 LYS 94 OK 88 100 - 88 - 3.0=74, 5961/1.8=14...(13) QB ALA 46 - HG3 LYS 94 lone 3 84 - 3 - HG2 LYS 65 - HG3 LYS 94 lone 1 87 - 1 - HG LEU 38 - HG3 LYS 94 lone 1 73 - 1 - HG LEU 6 - HG3 LYS 94 lone 0 70 - 0 - Peak 5973 from cnoeabs.peaks (3.02, 1.32, 24.71 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 94 + HG3 LYS 94 OK 100 100 - 100 - 3.8=100 Peak 5974 from cnoeabs.peaks (2.92, 1.32, 24.71 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 94 + HG3 LYS 94 OK 100 100 - 100 - 3.8=100 Peak 5975 from cnoeabs.peaks (8.61, 1.54, 30.10 ppm; 5.61 A): 2 out of 16 assignments used, quality = 1.00: * H LYS 94 + HD2 LYS 94 OK 98 100 - 98 - 6.3=69, 1622/3.0=44...(11) H LYS 94 + HD3 LYS 94 OK 98 100 - 98 - 6.3=69, 1622/3.0=44...(11) H ILE 71 - HD2 LYS 94 OK 13 96 - 13 - 4.7/10982=4, 4.7/10982=4...(4) H ILE 71 - HD3 LYS 94 OK 13 96 - 13 - 4.7/10982=4, 4.7/10982=4...(4) H LEU 80 - HD3 LYS 94 lone 5 99 - 5 - 5945/3.6=3 H LEU 80 - HD2 LYS 94 lone 5 99 - 5 - 5945/3.6=3 H ALA 124 - HD2 LYS 94 lone 4 99 - 4 - 5945/3.6=1 H ALA 124 - HD3 LYS 94 lone 4 99 - 4 - 5945/3.6=1 H THR 108 - HD3 LYS 94 lone 2 100 - 2 - H THR 108 - HD2 LYS 94 lone 2 100 - 2 - H GLN 85 - HD2 LYS 94 lone 2 90 - 3 - H GLN 85 - HD3 LYS 94 lone 2 90 - 3 - H LYS 49 - HD3 LYS 94 lone 2 100 - 2 - H LYS 49 - HD2 LYS 94 lone 2 100 - 2 - H ASP 12 - HD3 LYS 94 lone 1 57 - 2 - H ASP 12 - HD2 LYS 94 lone 1 57 - 2 - Peak 5976 from cnoeabs.peaks (3.62, 1.54, 30.10 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: HA LYS 94 + HD3 LYS 94 OK 100 100 - 100 - 4.7=100 * HA LYS 94 + HD2 LYS 94 OK 100 100 - 100 - 4.7=100 Peak 5977 from cnoeabs.peaks (2.07, 1.54, 30.10 ppm; 4.28 A): 2 out of 2 assignments used, quality = 1.00: HB2 LYS 94 + HD3 LYS 94 OK 100 100 - 100 - 3.6=100 * HB2 LYS 94 + HD2 LYS 94 OK 100 100 - 100 - 3.6=100 Peak 5978 from cnoeabs.peaks (1.74, 1.54, 30.10 ppm; 3.32 A): 2 out of 26 assignments used, quality = 0.99: * HB3 LYS 94 + HD2 LYS 94 OK 93 100 - 93 - 3.6=79, 3.0/5972=15...(14) HB3 LYS 94 + HD3 LYS 94 OK 93 100 - 93 - 3.6=79, 3.0/5972=15...(14) HB3 LEU 90 - HD2 LYS 94 lone 6 84 - 8 - 3.1/10982=2, ~10982=1 HB3 LEU 90 - HD3 LYS 94 lone 6 84 - 8 - 3.1/10982=2, ~10982=1 HB3 LEU 82 - HD3 LYS 94 lone 6 100 - 6 - ~11394=4, 1620/6.3=1 HB3 LEU 82 - HD2 LYS 94 lone 6 100 - 6 - ~11394=4, 1620/6.3=1 HB2 LEU 114 - HD2 LYS 94 lone 2 100 - 2 - HB2 LEU 114 - HD3 LYS 94 lone 2 100 - 2 - HD3 LYS 123 - HD2 LYS 94 lone 1 84 - 1 - HD3 LYS 123 - HD3 LYS 94 lone 1 84 - 1 - HB2 LEU 68 - HD2 LYS 94 lone 1 87 - 1 - HB2 LEU 68 - HD3 LYS 94 lone 1 87 - 1 - HB2 LEU 80 - HD2 LYS 94 lone 1 65 - 1 - HB2 LEU 80 - HD3 LYS 94 lone 1 65 - 1 - HG12 ILE 15 - HD2 LYS 94 lone 1 94 - 1 - HG12 ILE 15 - HD3 LYS 94 lone 1 94 - 1 - HG2 ARG 118 - HD2 LYS 94 lone 1 98 - 1 - HG2 ARG 118 - HD3 LYS 94 lone 1 98 - 1 - HB3 LYS 49 - HD2 LYS 94 lone 0 57 - 1 - HB3 LYS 49 - HD3 LYS 94 lone 0 57 - 1 - HB2 LYS 106 - HD2 LYS 94 lone 0 61 - 1 - HB2 LYS 106 - HD3 LYS 94 lone 0 61 - 1 - HG3 ARG 105 - HD2 LYS 94 lone 0 70 - 0 - HG3 ARG 105 - HD3 LYS 94 lone 0 70 - 0 - HG2 LYS 17 - HD2 LYS 94 lone 0 57 - 0 - HG2 LYS 17 - HD3 LYS 94 lone 0 57 - 0 - Peak 5979 from cnoeabs.peaks (1.37, 1.54, 30.10 ppm; 3.47 A): 2 out of 2 assignments used, quality = 1.00: HG2 LYS 94 + HD3 LYS 94 OK 100 100 - 100 - 3.0=100 * HG2 LYS 94 + HD2 LYS 94 OK 100 100 - 100 - 3.0=100 Peak 5980 from cnoeabs.peaks (1.32, 1.54, 30.10 ppm; 3.65 A): 2 out of 2 assignments used, quality = 1.00: HG3 LYS 94 + HD3 LYS 94 OK 100 100 - 100 - 3.0=100 * HG3 LYS 94 + HD2 LYS 94 OK 100 100 - 100 - 3.0=100 Peak 5981 from cnoeabs.peaks (1.54, 1.54, 30.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 94 + HD3 LYS 94 OK 100 100 - 100 * HD2 LYS 94 + HD2 LYS 94 OK 100 100 - 100 Peak 5982 from cnoeabs.peaks (1.54, 1.54, 30.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 94 + HD3 LYS 94 OK 100 100 - 100 HD2 LYS 94 + HD2 LYS 94 OK 100 100 - 100 Reference assignment not found: HD3 LYS 94 - HD2 LYS 94 Peak 5983 from cnoeabs.peaks (3.02, 1.54, 30.10 ppm; 4.44 A): 2 out of 2 assignments used, quality = 1.00: HE2 LYS 94 + HD3 LYS 94 OK 100 100 - 100 - 3.0=100 * HE2 LYS 94 + HD2 LYS 94 OK 100 100 - 100 - 3.0=100 Peak 5984 from cnoeabs.peaks (2.92, 1.54, 30.10 ppm; 3.86 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 94 + HD3 LYS 94 OK 100 100 - 100 - 3.0=100 * HE3 LYS 94 + HD2 LYS 94 OK 100 100 - 100 - 3.0=100 Peak 5985 from cnoeabs.peaks (8.61, 1.54, 30.10 ppm; 5.61 A): 2 out of 16 assignments used, quality = 1.00: H LYS 94 + HD2 LYS 94 OK 98 100 - 98 - 6.3=69, 1622/3.0=44...(11) * H LYS 94 + HD3 LYS 94 OK 98 100 - 98 - 6.3=69, 1622/3.0=44...(11) H ILE 71 - HD2 LYS 94 OK 13 96 - 13 - 4.7/10982=4, 4.7/10982=4...(4) H ILE 71 - HD3 LYS 94 OK 13 96 - 13 - 4.7/10982=4, 4.7/10982=4...(4) H LEU 80 - HD3 LYS 94 lone 5 99 - 5 - 5945/3.6=3 H LEU 80 - HD2 LYS 94 lone 5 99 - 5 - 5945/3.6=3 H ALA 124 - HD2 LYS 94 lone 4 99 - 4 - 5945/3.6=1 H ALA 124 - HD3 LYS 94 lone 4 99 - 4 - 5945/3.6=1 H THR 108 - HD3 LYS 94 lone 2 100 - 2 - H THR 108 - HD2 LYS 94 lone 2 100 - 2 - H GLN 85 - HD2 LYS 94 lone 2 90 - 3 - H GLN 85 - HD3 LYS 94 lone 2 90 - 3 - H LYS 49 - HD3 LYS 94 lone 2 100 - 2 - H LYS 49 - HD2 LYS 94 lone 2 100 - 2 - H ASP 12 - HD3 LYS 94 lone 1 57 - 2 - H ASP 12 - HD2 LYS 94 lone 1 57 - 2 - Peak 5986 from cnoeabs.peaks (3.62, 1.54, 30.10 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 94 + HD3 LYS 94 OK 100 100 - 100 - 4.7=100 HA LYS 94 + HD2 LYS 94 OK 100 100 - 100 - 4.7=100 Peak 5987 from cnoeabs.peaks (2.07, 1.54, 30.10 ppm; 4.28 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 94 + HD3 LYS 94 OK 100 100 - 100 - 3.6=100 HB2 LYS 94 + HD2 LYS 94 OK 100 100 - 100 - 3.6=100 Peak 5988 from cnoeabs.peaks (1.74, 1.54, 30.10 ppm; 3.32 A): 2 out of 26 assignments used, quality = 0.99: HB3 LYS 94 + HD2 LYS 94 OK 93 100 - 93 - 3.6=79, 3.0/5972=15...(14) * HB3 LYS 94 + HD3 LYS 94 OK 93 100 - 93 - 3.6=79, 3.0/5972=15...(14) HB3 LEU 90 - HD2 LYS 94 lone 6 84 - 8 - 3.1/10982=2, ~10982=1 HB3 LEU 90 - HD3 LYS 94 lone 6 84 - 8 - 3.1/10982=2, ~10982=1 HB3 LEU 82 - HD3 LYS 94 lone 6 100 - 6 - ~11394=4, 1620/6.3=1 HB3 LEU 82 - HD2 LYS 94 lone 6 100 - 6 - ~11394=4, 1620/6.3=1 HB2 LEU 114 - HD2 LYS 94 lone 2 100 - 2 - HB2 LEU 114 - HD3 LYS 94 lone 2 100 - 2 - HD3 LYS 123 - HD2 LYS 94 lone 1 84 - 1 - HD3 LYS 123 - HD3 LYS 94 lone 1 84 - 1 - HB2 LEU 68 - HD2 LYS 94 lone 1 87 - 1 - HB2 LEU 68 - HD3 LYS 94 lone 1 87 - 1 - HB2 LEU 80 - HD2 LYS 94 lone 1 65 - 1 - HB2 LEU 80 - HD3 LYS 94 lone 1 65 - 1 - HG12 ILE 15 - HD2 LYS 94 lone 1 94 - 1 - HG12 ILE 15 - HD3 LYS 94 lone 1 94 - 1 - HG2 ARG 118 - HD2 LYS 94 lone 1 98 - 1 - HG2 ARG 118 - HD3 LYS 94 lone 1 98 - 1 - HB3 LYS 49 - HD2 LYS 94 lone 0 57 - 1 - HB3 LYS 49 - HD3 LYS 94 lone 0 57 - 1 - HB2 LYS 106 - HD2 LYS 94 lone 0 61 - 1 - HB2 LYS 106 - HD3 LYS 94 lone 0 61 - 1 - HG3 ARG 105 - HD2 LYS 94 lone 0 70 - 0 - HG3 ARG 105 - HD3 LYS 94 lone 0 70 - 0 - HG2 LYS 17 - HD2 LYS 94 lone 0 57 - 0 - HG2 LYS 17 - HD3 LYS 94 lone 0 57 - 0 - Peak 5989 from cnoeabs.peaks (1.37, 1.54, 30.10 ppm; 3.47 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 94 + HD3 LYS 94 OK 100 100 - 100 - 3.0=100 HG2 LYS 94 + HD2 LYS 94 OK 100 100 - 100 - 3.0=100 Peak 5990 from cnoeabs.peaks (1.32, 1.54, 30.10 ppm; 3.65 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 94 + HD3 LYS 94 OK 100 100 - 100 - 3.0=100 HG3 LYS 94 + HD2 LYS 94 OK 100 100 - 100 - 3.0=100 Peak 5991 from cnoeabs.peaks (1.54, 1.54, 30.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 94 + HD3 LYS 94 OK 100 100 - 100 HD2 LYS 94 + HD2 LYS 94 OK 100 100 - 100 Reference assignment not found: HD2 LYS 94 - HD3 LYS 94 Peak 5992 from cnoeabs.peaks (1.54, 1.54, 30.10 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 94 + HD3 LYS 94 OK 100 100 - 100 HD2 LYS 94 + HD2 LYS 94 OK 100 100 - 100 Peak 5993 from cnoeabs.peaks (3.02, 1.54, 30.10 ppm; 4.44 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 94 + HD3 LYS 94 OK 100 100 - 100 - 3.0=100 HE2 LYS 94 + HD2 LYS 94 OK 100 100 - 100 - 3.0=100 Peak 5994 from cnoeabs.peaks (2.92, 1.54, 30.10 ppm; 3.86 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 94 + HD3 LYS 94 OK 100 100 - 100 - 3.0=100 HE3 LYS 94 + HD2 LYS 94 OK 100 100 - 100 - 3.0=100 Peak 5997 from cnoeabs.peaks (2.07, 3.02, 41.78 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 94 + HE2 LYS 94 OK 100 100 - 100 - 4.8=100 Peak 5998 from cnoeabs.peaks (1.74, 3.02, 41.78 ppm; 3.16 A): 2 out of 2 assignments used, quality = 0.91: HD3 LYS 123 + HE2 LYS 123 OK 76 76 - 100 - 3.0=100 HD3 LYS 123 + HE3 LYS 123 OK 63 63 - 100 - 3.0=100 Reference assignment not found: HB3 LYS 94 - HE2 LYS 94 Peak 5999 from cnoeabs.peaks (1.37, 3.02, 41.78 ppm; 4.42 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 94 + HE2 LYS 94 OK 100 100 - 100 - 3.8=100 Peak 6000 from cnoeabs.peaks (1.32, 3.02, 41.78 ppm; 4.90 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 94 + HE2 LYS 94 OK 100 100 - 100 - 3.8=100 Peak 6001 from cnoeabs.peaks (1.54, 3.02, 41.78 ppm; 3.59 A): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 94 + HE2 LYS 94 OK 100 100 - 100 - 3.0=100 * HD2 LYS 94 + HE2 LYS 94 OK 100 100 - 100 - 3.0=100 Peak 6002 from cnoeabs.peaks (1.54, 3.02, 41.78 ppm; 3.59 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 94 + HE2 LYS 94 OK 100 100 - 100 - 3.0=100 HD2 LYS 94 + HE2 LYS 94 OK 100 100 - 100 - 3.0=100 Peak 6003 from cnoeabs.peaks (3.02, 3.02, 41.78 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HE2 LYS 94 + HE2 LYS 94 OK 100 100 - 100 HE2 LYS 49 + HE2 LYS 49 OK 97 97 - 100 HE3 LYS 49 + HE3 LYS 49 OK 97 97 - 100 HE2 LYS 123 + HE2 LYS 123 OK 92 92 - 100 HE3 LYS 123 + HE3 LYS 123 OK 71 71 - 100 Peak 6004 from cnoeabs.peaks (2.92, 3.02, 41.78 ppm; 2.85 A): 1 out of 1 assignment used, quality = 1.00: * HE3 LYS 94 + HE2 LYS 94 OK 100 100 - 100 - 1.8=100 Peak 6007 from cnoeabs.peaks (2.07, 2.92, 41.78 ppm; 4.15 A): 1 out of 154 assignments used, quality = 0.88: * HB2 LYS 94 + HE3 LYS 94 OK 88 100 - 88 - 4.8=64, 3.0/6010=28...(10) HB3 GLU 91 - HE3 LYS 94 lone 6 100 - 6 - ~11106=2, 1619/6.9=1 HB3 GLU 112 - HE2 LYS 115 lone 6 70 - 8 - ~11463=4, ~10461=2, ~2891=1 HB3 GLU 112 - HE3 LYS 115 lone 6 70 - 8 - ~11463=4, ~10461=2, ~2891=1 HB2 GLU 112 - HE2 LYS 115 lone 5 67 - 8 - ~11463=4, ~10461=2, ~2891=1 HB2 GLU 112 - HE3 LYS 115 lone 5 67 - 8 - ~11463=4, ~10461=2, ~2891=1 HB2 GLU 13 - HE2 LYS 115 lone 4 86 - 5 - ~11216=1, ~11467=1, 3.0/11303=1 HB2 GLU 13 - HE3 LYS 115 lone 4 86 - 5 - ~11216=1, ~11467=1, 3.0/11303=1 HB2 GLU 13 - HE3 LYS 16 lone 4 89 - 4 - ~11216=1 HB2 GLU 13 - HE2 LYS 16 lone 4 89 - 4 - ~11216=1 HB3 GLU 91 - HE2 LYS 96 lone 4 68 - 5 - ~11469=1 HB3 GLU 91 - HE3 LYS 96 lone 4 68 - 5 - ~11469=1 HB2 LYS 94 - HE3 LYS 96 lone 3 68 - 5 - 8194/6.3=3 HB2 LYS 94 - HE2 LYS 96 lone 3 68 - 5 - 8194/6.3=3 HB2 GLU 92 - HE2 LYS 65 lone 2 69 - 3 - HB2 GLU 92 - HE3 LYS 65 lone 2 69 - 3 - HG2 GLU 119 - HE3 LYS 94 lone 2 98 - 2 - HB3 GLU 91 - HE2 LYS 44 lone 2 68 - 3 - HB3 GLU 91 - HE3 LYS 44 lone 2 68 - 3 - HB3 GLU 112 - HE3 LYS 65 lone 2 84 - 3 - ~11463=1 HB3 GLU 112 - HE2 LYS 65 lone 2 84 - 3 - ~11463=1 HB2 GLU 112 - HE2 LYS 65 lone 2 80 - 3 - ~11463=1 HB2 GLU 112 - HE3 LYS 65 lone 2 80 - 3 - ~11463=1 HB2 LYS 94 - HE2 LYS 44 lone 2 68 - 3 - 8194/6.5=1 HB2 LYS 94 - HE3 LYS 44 lone 2 68 - 3 - 8194/6.5=1 HB2 LYS 94 - HE2 LYS 65 lone 2 100 - 2 - HB2 LYS 94 - HE3 LYS 65 lone 2 100 - 2 - HB2 GLU 47 - HE2 LYS 44 lone 2 48 - 4 - 8091/6.5=3 HB2 GLU 47 - HE3 LYS 44 lone 2 48 - 4 - 8091/6.5=3 HB2 GLU 13 - HE2 LYS 65 lone 2 98 - 2 - HB2 GLU 13 - HE3 LYS 65 lone 2 98 - 2 - HB2 LYS 94 - HE2 LYS 115 lone 2 90 - 2 - HB2 LYS 94 - HE3 LYS 115 lone 2 90 - 2 - HB2 GLU 92 - HE3 LYS 94 lone 2 70 - 2 - HB3 GLU 98 - HE3 LYS 94 lone 1 70 - 2 - 11454/10234=1 HB3 GLU 91 - HE3 LYS 16 lone 1 93 - 1 - HB3 GLU 91 - HE2 LYS 16 lone 1 93 - 1 - HB2 GLU 92 - HE3 LYS 115 lone 1 57 - 2 - HB2 GLU 92 - HE2 LYS 115 lone 1 57 - 2 - HB2 GLU 47 - HE3 LYS 94 lone 1 81 - 1 - HB3 GLU 69 - HE3 LYS 65 lone 1 61 - 2 - HB3 GLU 69 - HE2 LYS 65 lone 1 61 - 2 - HB2 LYS 94 - HE2 LYS 16 lone 1 93 - 1 - HB2 LYS 94 - HE3 LYS 16 lone 1 93 - 1 - HB3 GLU 91 - HE2 LYS 65 lone 1 100 - 1 - HB3 GLU 91 - HE3 LYS 65 lone 1 100 - 1 - HB2 GLU 13 - HE3 LYS 94 lone 1 98 - 1 - HB2 GLU 47 - HE2 LYS 65 lone 1 80 - 1 - HB2 GLU 47 - HE3 LYS 65 lone 1 80 - 1 - HB3 GLU 69 - HE2 LYS 44 lone 1 35 - 3 - HB3 GLU 69 - HE3 LYS 44 lone 1 35 - 3 - HB2 GLU 103 - HE2 LYS 65 lone 1 69 - 1 - HB2 GLU 103 - HE3 LYS 65 lone 1 69 - 1 - HB3 GLU 91 - HE3 LYS 115 lone 1 90 - 1 - HB3 GLU 91 - HE2 LYS 115 lone 1 90 - 1 - HB2 GLN 28 - HE3 LYS 94 lone 1 96 - 1 - HB2 GLU 13 - HE3 LYS 96 lone 1 64 - 1 - HB2 GLU 13 - HE2 LYS 96 lone 1 64 - 1 - HB2 GLU 92 - HE2 LYS 16 lone 1 60 - 1 - HB2 GLU 92 - HE3 LYS 16 lone 1 60 - 1 - HB3 MET 121 - HE3 LYS 94 lone 1 97 - 1 - HB3 PHE 79 - HE3 LYS 94 lone 1 99 - 1 - HB2 GLU 92 - HE2 LYS 96 lone 1 40 - 2 - HB2 GLU 92 - HE3 LYS 96 lone 1 40 - 2 - HB2 GLU 92 - HE3 LYS 44 lone 1 40 - 2 - HB2 GLU 92 - HE2 LYS 44 lone 1 40 - 2 - HG2 GLU 119 - HE2 LYS 96 lone 1 64 - 1 - HG2 GLU 119 - HE3 LYS 96 lone 1 64 - 1 - HB3 MET 121 - HE3 LYS 65 lone 1 97 - 1 - HB3 MET 121 - HE2 LYS 65 lone 1 97 - 1 - HG2 GLU 119 - HE3 LYS 44 lone 1 64 - 1 - HG2 GLU 119 - HE2 LYS 44 lone 1 64 - 1 - HB3 GLU 98 - HE2 LYS 115 lone 1 57 - 1 - HB3 GLU 98 - HE3 LYS 115 lone 1 57 - 1 - HB2 GLU 103 - HE2 LYS 115 lone 1 57 - 1 - HB2 GLU 103 - HE3 LYS 115 lone 1 57 - 1 - HB3 GLU 69 - HE3 LYS 94 lone 1 61 - 1 - HB2 GLU 47 - HE2 LYS 96 lone 1 48 - 1 - HB2 GLU 47 - HE3 LYS 96 lone 1 48 - 1 - HB3 PHE 79 - HE2 LYS 65 lone 1 99 - 1 - HB3 PHE 79 - HE3 LYS 65 lone 1 99 - 1 - HB2 GLN 28 - HE2 LYS 65 lone 1 95 - 1 - HB2 GLN 28 - HE3 LYS 65 lone 1 95 - 1 - HG2 GLU 119 - HE3 LYS 65 lone 1 98 - 1 - HG2 GLU 119 - HE2 LYS 65 lone 1 98 - 1 - HB3 GLU 98 - HE2 LYS 96 lone 1 40 - 2 - HB3 GLU 98 - HE3 LYS 96 lone 1 40 - 2 - HB2 GLU 47 - HE2 LYS 115 lone 1 67 - 1 - HB2 GLU 47 - HE3 LYS 115 lone 1 67 - 1 - HB3 MET 121 - HE3 LYS 16 lone 1 88 - 1 - HB3 MET 121 - HE2 LYS 16 lone 1 88 - 1 - HB3 MET 121 - HE2 LYS 115 lone 1 85 - 1 - HB3 MET 121 - HE3 LYS 115 lone 1 85 - 1 - HB3 GLU 98 - HE3 LYS 65 lone 1 69 - 1 - HB3 GLU 98 - HE2 LYS 65 lone 1 69 - 1 - HB3 GLU 112 - HE3 LYS 94 lone 1 84 - 1 - HB2 GLN 28 - HE3 LYS 115 lone 1 83 - 1 - HB2 GLN 28 - HE2 LYS 115 lone 1 83 - 1 - HB3 PHE 79 - HE3 LYS 115 lone 1 87 - 1 - HB3 PHE 79 - HE2 LYS 115 lone 1 87 - 1 - HB2 GLU 103 - HE3 LYS 16 lone 1 60 - 1 - HB2 GLU 103 - HE2 LYS 16 lone 1 60 - 1 - HB3 GLU 69 - HE3 LYS 96 lone 1 35 - 2 - HB3 GLU 69 - HE2 LYS 96 lone 1 35 - 2 - HB2 GLU 112 - HE3 LYS 94 lone 1 81 - 1 - HB3 PHE 79 - HE3 LYS 16 lone 1 91 - 1 - HB3 PHE 79 - HE2 LYS 16 lone 1 91 - 1 - HG2 GLU 119 - HE3 LYS 115 lone 1 86 - 1 - HG2 GLU 119 - HE2 LYS 115 lone 1 86 - 1 - HG2 GLU 119 - HE3 LYS 16 lone 1 89 - 1 - HG2 GLU 119 - HE2 LYS 16 lone 1 89 - 1 - HB2 GLU 13 - HE2 LYS 44 lone 1 64 - 1 - HB2 GLU 13 - HE3 LYS 44 lone 1 64 - 1 - HB2 GLN 28 - HE3 LYS 16 lone 0 86 - 1 - HB2 GLN 28 - HE2 LYS 16 lone 0 86 - 1 - HB2 GLU 103 - HE3 LYS 94 lone 0 70 - 1 - HB3 GLU 112 - HE3 LYS 16 lone 0 73 - 1 - HB3 GLU 112 - HE2 LYS 16 lone 0 73 - 1 - HB2 GLU 112 - HE2 LYS 16 lone 0 70 - 1 - HB2 GLU 112 - HE3 LYS 16 lone 0 70 - 1 - HB3 MET 121 - HE3 LYS 44 lone 0 63 - 1 - HB3 MET 121 - HE2 LYS 44 lone 0 63 - 1 - HB3 PHE 79 - HE2 LYS 96 lone 0 65 - 1 - HB3 PHE 79 - HE3 LYS 96 lone 0 65 - 1 - HB3 MET 121 - HE3 LYS 96 lone 0 63 - 1 - HB3 MET 121 - HE2 LYS 96 lone 0 63 - 1 - HB2 GLU 47 - HE3 LYS 16 lone 0 70 - 1 - HB2 GLU 47 - HE2 LYS 16 lone 0 70 - 1 - HB3 GLU 69 - HE2 LYS 16 lone 0 52 - 1 - HB3 GLU 69 - HE3 LYS 16 lone 0 52 - 1 - HB2 GLN 28 - HE3 LYS 96 lone 0 61 - 1 - HB2 GLN 28 - HE2 LYS 96 lone 0 61 - 1 - HB3 PHE 79 - HE3 LYS 44 lone 0 65 - 1 - HB3 PHE 79 - HE2 LYS 44 lone 0 65 - 1 - HB2 GLN 28 - HE2 LYS 44 lone 0 61 - 1 - HB2 GLN 28 - HE3 LYS 44 lone 0 61 - 1 - HB3 GLU 69 - HE3 LYS 115 lone 0 50 - 1 - HB3 GLU 69 - HE2 LYS 115 lone 0 50 - 1 - HB3 GLU 98 - HE3 LYS 16 lone 0 60 - 1 - HB3 GLU 98 - HE2 LYS 16 lone 0 60 - 1 - HB2 GLU 103 - HE3 LYS 44 lone 0 40 - 1 - HB2 GLU 103 - HE2 LYS 44 lone 0 40 - 1 - HB2 GLU 103 - HE2 LYS 96 lone 0 40 - 1 - HB2 GLU 103 - HE3 LYS 96 lone 0 40 - 1 - HB3 GLU 112 - HE2 LYS 96 lone 0 50 - 1 - HB3 GLU 112 - HE3 LYS 96 lone 0 50 - 1 - HB3 GLU 112 - HE3 LYS 44 lone 0 50 - 1 - HB3 GLU 112 - HE2 LYS 44 lone 0 50 - 1 - HB2 GLU 112 - HE3 LYS 96 lone 0 48 - 1 - HB2 GLU 112 - HE2 LYS 96 lone 0 48 - 1 - HB2 GLU 112 - HE2 LYS 44 lone 0 48 - 1 - HB2 GLU 112 - HE3 LYS 44 lone 0 48 - 1 - HB3 GLU 98 - HE3 LYS 44 lone 0 40 - 1 - HB3 GLU 98 - HE2 LYS 44 lone 0 40 - 1 - Peak 6009 from cnoeabs.peaks (1.37, 2.92, 41.78 ppm; 3.49 A): 3 out of 77 assignments used, quality = 0.96: * HG2 LYS 94 + HE3 LYS 94 OK 90 100 - 90 - 3.8=77, 5962/3.0=15...(10) HG2 LYS 40 + HE2 LYS 16 OK 34 82 - 42 - 1.8/2794=4, ~2804=3...(20) HG2 LYS 40 + HE3 LYS 16 OK 34 82 - 42 - 1.8/2794=4, ~2804=3...(20) HG3 LYS 43 - HE3 LYS 96 lone 6 68 - 9 - HG3 LYS 43 - HE2 LYS 96 lone 6 68 - 9 - HG3 LYS 43 - HE3 LYS 44 lone 6 68 - 9 - 256/7.0=3 HG3 LYS 43 - HE2 LYS 44 lone 6 68 - 9 - 256/7.0=3 HG2 LYS 40 - HE3 LYS 96 lone 4 57 - 7 - 3678/7.5=1 HG2 LYS 40 - HE2 LYS 96 lone 4 57 - 7 - 3678/7.5=1 HB3 LEU 81 - HE2 LYS 65 lone 4 84 - 5 - HB3 LEU 81 - HE3 LYS 65 lone 4 84 - 5 - HB3 LEU 68 - HE2 LYS 65 lone 3 87 - 4 - 8127/6.7=3 HB3 LEU 68 - HE3 LYS 65 lone 3 87 - 4 - 8127/6.7=3 HG3 LYS 43 - HE3 LYS 94 lone 3 100 - 3 - HG LEU 14 - HE3 LYS 94 lone 2 94 - 2 - HG2 LYS 40 - HE3 LYS 94 lone 2 92 - 2 - HG2 LYS 40 - HE3 LYS 115 lone 2 78 - 2 - HG2 LYS 40 - HE2 LYS 115 lone 2 78 - 2 - HG2 LYS 40 - HE2 LYS 44 lone 1 57 - 3 - 7505/7.0=1 HG2 LYS 40 - HE3 LYS 44 lone 1 57 - 3 - 7505/7.0=1 HB3 LEU 81 - HE2 LYS 115 lone 1 70 - 2 - HB3 LEU 81 - HE3 LYS 115 lone 1 70 - 2 - HG2 LYS 94 - HE3 LYS 65 lone 1 100 - 1 - HG2 LYS 94 - HE2 LYS 65 lone 1 100 - 1 - HG2 LYS 40 - HE2 LYS 65 lone 1 92 - 1 - HG2 LYS 40 - HE3 LYS 65 lone 1 92 - 1 - HB3 LEU 81 - HE3 LYS 94 lone 1 84 - 1 - HB3 LEU 68 - HE3 LYS 94 lone 1 87 - 1 - HG2 LYS 94 - HE2 LYS 44 lone 1 68 - 2 - HG2 LYS 94 - HE3 LYS 44 lone 1 68 - 2 - HG3 LYS 43 - HE3 LYS 16 lone 1 93 - 1 - HG3 LYS 43 - HE2 LYS 16 lone 1 93 - 1 - HB3 LEU 68 - HE2 LYS 115 lone 1 73 - 1 - HB3 LEU 68 - HE3 LYS 115 lone 1 73 - 1 - HG LEU 14 - HE2 LYS 115 lone 1 81 - 1 - HG LEU 14 - HE3 LYS 115 lone 1 81 - 1 - HG LEU 14 - HE2 LYS 65 lone 1 94 - 1 - HG LEU 14 - HE3 LYS 65 lone 1 94 - 1 - HG3 LYS 43 - HE2 LYS 65 lone 1 100 - 1 - HG3 LYS 43 - HE3 LYS 65 lone 1 100 - 1 - HG2 LYS 94 - HE3 LYS 115 lone 1 90 - 1 - HG2 LYS 94 - HE2 LYS 115 lone 1 90 - 1 - HG2 LYS 94 - HE3 LYS 96 lone 1 68 - 1 - HG2 LYS 94 - HE2 LYS 96 lone 1 68 - 1 - HG2 LYS 77 - HE3 LYS 94 lone 1 81 - 1 - HB3 LEU 68 - HE3 LYS 16 lone 1 76 - 1 - HB3 LEU 68 - HE2 LYS 16 lone 1 76 - 1 - HG2 LYS 94 - HE3 LYS 16 lone 1 93 - 1 - HG2 LYS 94 - HE2 LYS 16 lone 1 93 - 1 - HB3 LEU 68 - HE2 LYS 44 lone 1 53 - 1 - HB3 LEU 68 - HE3 LYS 44 lone 1 53 - 1 - HB3 LEU 81 - HE2 LYS 16 lone 0 73 - 1 - HB3 LEU 81 - HE3 LYS 16 lone 0 73 - 1 - HG2 LYS 77 - HE2 LYS 65 lone 0 80 - 1 - HG2 LYS 77 - HE3 LYS 65 lone 0 80 - 1 - HG2 LYS 77 - HE3 LYS 16 lone 0 70 - 1 - HG2 LYS 77 - HE2 LYS 16 lone 0 70 - 1 - HG3 LYS 43 - HE2 LYS 115 lone 0 90 - 0 - HG3 LYS 43 - HE3 LYS 115 lone 0 90 - 0 - HG LEU 14 - HE2 LYS 16 lone 0 84 - 0 - HG LEU 14 - HE3 LYS 16 lone 0 84 - 0 - HB3 LEU 68 - HE2 LYS 96 lone 0 53 - 1 - HB3 LEU 68 - HE3 LYS 96 lone 0 53 - 1 - HG LEU 14 - HE2 LYS 44 lone 0 59 - 1 - HG LEU 14 - HE3 LYS 44 lone 0 59 - 1 - HG2 LYS 77 - HE2 LYS 115 lone 0 67 - 0 - HG2 LYS 77 - HE3 LYS 115 lone 0 67 - 0 - HB3 LEU 81 - HE3 LYS 44 lone 0 50 - 1 - HB3 LEU 81 - HE2 LYS 44 lone 0 50 - 1 - HB3 LEU 81 - HE2 LYS 96 lone 0 50 - 0 - HB3 LEU 81 - HE3 LYS 96 lone 0 50 - 0 - HG LEU 14 - HE3 LYS 96 lone 0 59 - 0 - HG LEU 14 - HE2 LYS 96 lone 0 59 - 0 - HG2 LYS 77 - HE3 LYS 44 lone 0 48 - 0 - HG2 LYS 77 - HE2 LYS 44 lone 0 48 - 0 - HG2 LYS 77 - HE3 LYS 96 lone 0 48 - 0 - HG2 LYS 77 - HE2 LYS 96 lone 0 48 - 0 - Peak 6010 from cnoeabs.peaks (1.32, 2.92, 41.78 ppm; 3.74 A): 1 out of 22 assignments used, quality = 0.98: * HG3 LYS 94 + HE3 LYS 94 OK 98 100 - 98 - 3.8=95, 5972/3.0=18...(10) HB3 LEU 55 - HE3 LYS 94 lone 2 100 - 2 - HG3 LYS 94 - HE3 LYS 96 lone 2 68 - 3 - 11105/6.3=2 HG3 LYS 94 - HE2 LYS 96 lone 2 68 - 3 - 11105/6.3=2 HB3 LEU 55 - HE2 LYS 115 lone 1 90 - 1 - HB3 LEU 55 - HE3 LYS 115 lone 1 90 - 1 - HG3 LYS 94 - HE2 LYS 44 lone 1 68 - 2 - HG3 LYS 94 - HE3 LYS 44 lone 1 68 - 2 - HG3 LYS 94 - HE3 LYS 65 lone 1 100 - 1 - HG3 LYS 94 - HE2 LYS 65 lone 1 100 - 1 - HG3 LYS 94 - HE3 LYS 115 lone 1 90 - 1 - HG3 LYS 94 - HE2 LYS 115 lone 1 90 - 1 - HB3 LEU 55 - HE3 LYS 65 lone 1 100 - 1 - HB3 LEU 55 - HE2 LYS 65 lone 1 100 - 1 - HG3 LYS 94 - HE2 LYS 16 lone 1 93 - 1 - HG3 LYS 94 - HE3 LYS 16 lone 1 93 - 1 - HB3 LEU 55 - HE2 LYS 16 lone 1 93 - 1 - HB3 LEU 55 - HE3 LYS 16 lone 1 93 - 1 - HB3 LEU 55 - HE2 LYS 96 lone 0 68 - 1 - HB3 LEU 55 - HE3 LYS 96 lone 0 68 - 1 - HB3 LEU 55 - HE3 LYS 44 lone 0 68 - 0 - HB3 LEU 55 - HE2 LYS 44 lone 0 68 - 0 - Peak 6011 from cnoeabs.peaks (1.54, 2.92, 41.78 ppm; 3.09 A): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 94 + HE3 LYS 94 OK 100 100 - 100 - 3.0=100 * HD2 LYS 94 + HE3 LYS 94 OK 100 100 - 100 - 3.0=100 Peak 6012 from cnoeabs.peaks (1.54, 2.92, 41.78 ppm; 3.09 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 94 + HE3 LYS 94 OK 100 100 - 100 - 3.0=100 HD2 LYS 94 + HE3 LYS 94 OK 100 100 - 100 - 3.0=100 Peak 6013 from cnoeabs.peaks (3.02, 2.92, 41.78 ppm; 2.79 A): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 94 + HE3 LYS 94 OK 100 100 - 100 - 1.8=100 Peak 6014 from cnoeabs.peaks (2.92, 2.92, 41.78 ppm; diagonal): 11 out of 11 assignments used, quality = 1.00: * HE3 LYS 94 + HE3 LYS 94 OK 100 100 - 100 HE2 LYS 65 + HE2 LYS 65 OK 100 100 - 100 HE3 LYS 65 + HE3 LYS 65 OK 100 100 - 100 HE3 LYS 16 + HE3 LYS 16 OK 88 88 - 100 HE2 LYS 16 + HE2 LYS 16 OK 88 88 - 100 HE2 LYS 115 + HE2 LYS 115 OK 83 83 - 100 HE3 LYS 115 + HE3 LYS 115 OK 83 83 - 100 HE3 LYS 96 + HE3 LYS 96 OK 50 50 - 100 HE2 LYS 44 + HE2 LYS 44 OK 50 50 - 100 HE3 LYS 44 + HE3 LYS 44 OK 50 50 - 100 HE2 LYS 96 + HE2 LYS 96 OK 50 50 - 100 Peak 6015 from cnoeabs.peaks (8.16, 4.15, 59.10 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 95 + HA ARG 95 OK 100 100 - 100 - 3.0=100 Peak 6016 from cnoeabs.peaks (4.15, 4.15, 59.10 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 95 + HA ARG 95 OK 100 100 - 100 Peak 6017 from cnoeabs.peaks (1.90, 4.15, 59.10 ppm; 3.03 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 95 + HA ARG 95 OK 100 100 - 100 - 3.0=100 Peak 6018 from cnoeabs.peaks (1.97, 4.15, 59.10 ppm; 3.12 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 95 + HA ARG 95 OK 100 100 - 100 - 3.0=100 Peak 6019 from cnoeabs.peaks (1.88, 4.15, 59.10 ppm; 3.10 A): 2 out of 15 assignments used, quality = 0.92: * HG2 ARG 95 + HA ARG 95 OK 87 100 - 87 - 4.1=44, 6035/3.0=18...(25) HG LEU 45 + HA ARG 95 OK 40 98 - 41 - 2.1/4026=8, 4012=7...(12) HB3 LYS 20 - HA ARG 95 lone 6 81 - 8 - HB2 LYS 20 - HA ARG 95 lone 6 81 - 8 - HG LEU 127 - HA ARG 95 lone 5 65 - 7 - 2.1/10653=3, 3.0/8322=2 HB3 LYS 73 - HA ARG 95 lone 5 65 - 7 - HB2 LYS 16 - HA ARG 95 lone 4 99 - 4 - HB3 LYS 16 - HA ARG 95 lone 4 99 - 4 - HB2 LYS 73 - HA ARG 95 lone 4 61 - 7 - QE MET 42 - HA ARG 95 lone 3 92 - 4 - HB2 LEU 63 - HA ARG 95 lone 2 99 - 3 - QE MET 67 - HA ARG 95 lone 2 99 - 2 - HB3 ARG 118 - HA ARG 95 lone 1 99 - 1 - HB ILE 7 - HA ARG 95 lone 0 73 - 1 - HB2 ARG 105 - HA ARG 95 lone 0 61 - 0 - Peak 6020 from cnoeabs.peaks (1.68, 4.15, 59.10 ppm; 3.37 A): 1 out of 20 assignments used, quality = 0.92: * HG3 ARG 95 + HA ARG 95 OK 92 100 - 92 - 4.1=56, 1.8/6019=20...(26) HD2 LYS 96 - HA ARG 95 OK 23 99 - 23 - 1632/3.0=4, 608/3.6=3...(11) HD3 LYS 96 - HA ARG 95 OK 22 97 - 23 - 1632/3.0=3, 608/3.6=3...(11) HD2 LYS 43 - HA ARG 95 lone 7 100 - 7 - ~597=1, 1632/3.0=1 HD3 LYS 43 - HA ARG 95 lone 6 96 - 7 - ~597=1, 1632/3.0=1 HD3 LYS 20 - HA ARG 95 lone 6 90 - 7 - HD3 LYS 73 - HA ARG 95 lone 6 96 - 6 - HD2 LYS 20 - HA ARG 95 lone 6 87 - 7 - HD2 LYS 73 - HA ARG 95 lone 6 94 - 6 - HD3 LYS 40 - HA ARG 95 lone 5 99 - 5 - 608/3.6=1, ~597=1, 1632/3.0=1 HD2 LYS 40 - HA ARG 95 lone 5 98 - 5 - 608/3.6=1, ~597=1, 1632/3.0=1 HD2 LYS 16 - HA ARG 95 lone 2 92 - 3 - HD3 LYS 16 - HA ARG 95 lone 2 84 - 3 - HB ILE 56 - HA ARG 95 lone 1 84 - 1 - HD2 LYS 17 - HA ARG 95 lone 1 99 - 1 - HG12 ILE 71 - HA ARG 95 lone 0 65 - 1 - HB ILE 54 - HA ARG 95 lone 0 98 - 0 - HD3 LYS 115 - HA ARG 95 lone 0 73 - 0 - HB2 GLU 52 - HA ARG 95 lone 0 61 - 0 - HD2 LYS 115 - HA ARG 95 lone 0 61 - 0 - Peak 6021 from cnoeabs.peaks (3.22, 4.15, 59.10 ppm; 4.54 A): 2 out of 4 assignments used, quality = 1.00: * HD2 ARG 95 + HA ARG 95 OK 98 100 - 98 - 5.3=64, 2.9/6019=22...(26) HD3 ARG 95 + HA ARG 95 OK 98 100 - 98 - 5.3=64, 2.9/6019=22...(26) HB2 PHE 120 - HA ARG 95 lone 4 99 - 4 - HA ILE 15 - HA ARG 95 lone 1 100 - 1 - Peak 6022 from cnoeabs.peaks (3.22, 4.15, 59.10 ppm; 4.54 A): 2 out of 4 assignments used, quality = 1.00: * HD3 ARG 95 + HA ARG 95 OK 98 100 - 98 - 5.3=64, 2.9/6019=22...(26) HD2 ARG 95 + HA ARG 95 OK 98 100 - 98 - 5.3=64, 2.9/6019=22...(26) HB2 PHE 120 - HA ARG 95 lone 4 99 - 4 - HA ILE 15 - HA ARG 95 lone 1 99 - 1 - Peak 6023 from cnoeabs.peaks (8.16, 1.90, 29.82 ppm; 3.72 A): 2 out of 4 assignments used, quality = 0.98: * H ARG 95 + HB2 ARG 95 OK 96 100 - 96 - 3.9=84, 1630/1.8=30...(12) H LEU 45 + HB2 ARG 95 OK 54 100 - 54 - 6031/1.8=12, 6039/3.0=10...(16) H ARG 95 - HB2 GLU 128 lone 4 99 - 4 - H LEU 45 - HB2 GLU 128 lone 2 98 - 2 - Peak 6024 from cnoeabs.peaks (4.15, 1.90, 29.82 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 95 + HB2 ARG 95 OK 100 100 - 100 - 3.0=100 Peak 6025 from cnoeabs.peaks (1.90, 1.90, 29.82 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 ARG 95 + HB2 ARG 95 OK 100 100 - 100 HB2 GLU 128 + HB2 GLU 128 OK 97 97 - 100 Peak 6026 from cnoeabs.peaks (1.97, 1.90, 29.82 ppm; 2.40 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 95 + HB2 ARG 95 OK 100 100 - 100 - 1.8=100 HB3 GLU 128 + HB2 GLU 128 OK 70 70 - 100 - 1.8=100 Peak 6027 from cnoeabs.peaks (1.88, 1.90, 29.82 ppm; 2.40 A): 2 out of 30 assignments used, quality = 0.85: * HG2 ARG 95 + HB2 ARG 95 OK 79 100 - 79 - 3.0=54, 6035/1.8=18...(17) HG LEU 45 + HB2 ARG 95 OK 30 98 - 31 - 4013=9, 6035/1.8=5...(11) HB2 LYS 20 - HB2 ARG 95 lone 4 81 - 4 - HB3 LYS 20 - HB2 ARG 95 lone 4 81 - 4 - HG2 ARG 95 - HB2 GLU 128 lone 3 99 - 3 - HB2 LYS 16 - HB2 ARG 95 lone 3 99 - 3 - HB3 LYS 16 - HB2 ARG 95 lone 3 99 - 3 - HG LEU 127 - HB2 GLU 128 lone 2 62 - 4 - 808/4.0=4 HB3 LYS 73 - HB2 ARG 95 lone 2 65 - 3 - HB2 LYS 73 - HB2 ARG 95 lone 2 61 - 3 - QE MET 67 - HB2 GLU 128 lone 2 97 - 2 - 9729/3.0=2 QE MET 42 - HB2 ARG 95 lone 2 92 - 2 - HB2 LEU 63 - HB2 ARG 95 lone 1 99 - 1 - HG LEU 127 - HB2 ARG 95 lone 1 65 - 2 - QE MET 67 - HB2 ARG 95 lone 1 99 - 1 - HG LEU 45 - HB2 GLU 128 lone 1 96 - 1 - HB2 LEU 63 - HB2 GLU 128 lone 0 97 - 0 - HB3 ARG 118 - HB2 ARG 95 lone 0 99 - 0 - QE MET 42 - HB2 GLU 128 lone 0 89 - 0 - HB ILE 7 - HB2 ARG 95 lone 0 73 - 0 - HB2 LYS 16 - HB2 GLU 128 lone 0 97 - 0 - HB3 LYS 16 - HB2 GLU 128 lone 0 97 - 0 - HB3 LYS 20 - HB2 GLU 128 lone 0 77 - 0 - HB2 LYS 20 - HB2 GLU 128 lone 0 77 - 0 - HB3 LYS 73 - HB2 GLU 128 lone 0 62 - 0 - HB3 ARG 118 - HB2 GLU 128 lone 0 97 - 0 - HB2 LYS 73 - HB2 GLU 128 lone 0 58 - 0 - HB ILE 7 - HB2 GLU 128 lone 0 70 - 0 - HB2 ARG 105 - HB2 ARG 95 lone 0 61 - 0 - HB2 ARG 105 - HB2 GLU 128 lone 0 58 - 0 - Peak 6028 from cnoeabs.peaks (1.68, 1.90, 29.82 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 95 + HB2 ARG 95 OK 100 100 - 100 - 3.0=100 Peak 6029 from cnoeabs.peaks (3.22, 1.90, 29.82 ppm; 3.76 A): 2 out of 8 assignments used, quality = 1.00: * HD2 ARG 95 + HB2 ARG 95 OK 99 100 - 99 - 3.9=92, 2.9/6027=23...(19) HD3 ARG 95 + HB2 ARG 95 OK 99 100 - 99 - 3.9=92, 2.9/6027=23...(19) HD2 ARG 95 - HB2 GLU 128 lone 4 99 - 4 - HD3 ARG 95 - HB2 GLU 128 lone 4 99 - 4 - HB2 PHE 120 - HB2 ARG 95 lone 3 99 - 3 - HB2 PHE 120 - HB2 GLU 128 lone 1 97 - 1 - HA ILE 15 - HB2 ARG 95 lone 1 100 - 1 - HA ILE 15 - HB2 GLU 128 lone 1 98 - 1 - Peak 6030 from cnoeabs.peaks (3.22, 1.90, 29.82 ppm; 3.76 A): 2 out of 8 assignments used, quality = 1.00: * HD3 ARG 95 + HB2 ARG 95 OK 99 100 - 99 - 3.9=92, 2.9/6027=23...(19) HD2 ARG 95 + HB2 ARG 95 OK 99 100 - 99 - 3.9=92, 2.9/6027=23...(19) HD3 ARG 95 - HB2 GLU 128 lone 4 99 - 4 - HD2 ARG 95 - HB2 GLU 128 lone 4 99 - 4 - HB2 PHE 120 - HB2 ARG 95 lone 3 99 - 3 - HB2 PHE 120 - HB2 GLU 128 lone 1 97 - 1 - HA ILE 15 - HB2 ARG 95 lone 1 99 - 1 - HA ILE 15 - HB2 GLU 128 lone 1 97 - 1 - Peak 6031 from cnoeabs.peaks (8.16, 1.97, 29.82 ppm; 3.69 A): 2 out of 4 assignments used, quality = 0.97: * H ARG 95 + HB3 ARG 95 OK 95 100 - 95 - 3.9=82, 6023/1.8=22...(12) H LEU 45 + HB3 ARG 95 OK 45 100 - 45 - 6023/1.8=13, 6039/3.0=10...(10) H ARG 95 - HB VAL 22 lone 1 63 - 1 - H LEU 45 - HB VAL 22 lone 0 62 - 1 - Peak 6032 from cnoeabs.peaks (4.15, 1.97, 29.82 ppm; 3.45 A): 1 out of 2 assignments used, quality = 1.00: * HA ARG 95 + HB3 ARG 95 OK 100 100 - 100 - 3.0=100 HA VAL 22 - HB VAL 22 OK 34 34 - 100 - 3.0=100 Peak 6033 from cnoeabs.peaks (1.90, 1.97, 29.82 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 95 + HB3 ARG 95 OK 100 100 - 100 - 1.8=100 Peak 6034 from cnoeabs.peaks (1.97, 1.97, 29.82 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB3 ARG 95 + HB3 ARG 95 OK 100 100 - 100 HB VAL 22 - HB VAL 22 OK 44 44 - 100 Peak 6035 from cnoeabs.peaks (1.88, 1.97, 29.82 ppm; 2.47 A): 2 out of 30 assignments used, quality = 0.85: * HG2 ARG 95 + HB3 ARG 95 OK 81 100 - 81 - 3.0=58, 6027/1.8=17...(18) HG LEU 45 + HB3 ARG 95 OK 22 98 - 22 - 6027/1.8=7, 6019/3.0=4...(9) HB3 LYS 20 - HB3 ARG 95 lone 4 81 - 5 - HB2 LYS 20 - HB3 ARG 95 lone 4 81 - 5 - HB2 LYS 16 - HB3 ARG 95 lone 3 99 - 3 - HB3 LYS 16 - HB3 ARG 95 lone 3 99 - 3 - HB3 LYS 73 - HB3 ARG 95 lone 2 65 - 4 - HB2 LYS 73 - HB3 ARG 95 lone 2 61 - 3 - HG LEU 127 - HB3 ARG 95 lone 2 65 - 2 - HB2 LEU 63 - HB3 ARG 95 lone 2 99 - 2 - QE MET 42 - HB3 ARG 95 lone 1 92 - 1 - QE MET 67 - HB3 ARG 95 lone 1 99 - 1 - HB2 LYS 20 - HB VAL 22 lone 1 44 - 2 - 4.6/1152=1 HB3 LYS 20 - HB VAL 22 lone 1 44 - 2 - 4.6/1152=1 QE MET 67 - HB VAL 22 lone 1 61 - 1 - HB3 ARG 118 - HB3 ARG 95 lone 0 99 - 0 - HB ILE 7 - HB VAL 22 lone 0 39 - 1 - HB2 LEU 63 - HB VAL 22 lone 0 60 - 1 - HB3 ARG 118 - HB VAL 22 lone 0 60 - 1 - HG LEU 45 - HB VAL 22 lone 0 59 - 1 - HB ILE 7 - HB3 ARG 95 lone 0 73 - 0 - HG2 ARG 95 - HB VAL 22 lone 0 63 - 0 - QE MET 42 - HB VAL 22 lone 0 52 - 0 - HB2 ARG 105 - HB3 ARG 95 lone 0 61 - 0 - HB2 LYS 16 - HB VAL 22 lone 0 61 - 0 - HB3 LYS 16 - HB VAL 22 lone 0 60 - 0 - HG LEU 127 - HB VAL 22 lone 0 34 - 0 - HB2 ARG 105 - HB VAL 22 lone 0 31 - 0 - HB3 LYS 73 - HB VAL 22 lone 0 34 - 0 - HB2 LYS 73 - HB VAL 22 lone 0 31 - 0 - Peak 6036 from cnoeabs.peaks (1.68, 1.97, 29.82 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 95 + HB3 ARG 95 OK 100 100 - 100 - 3.0=100 Peak 6037 from cnoeabs.peaks (3.22, 1.97, 29.82 ppm; 3.86 A): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 95 + HB3 ARG 95 OK 100 100 - 100 - 3.9=100 HD3 ARG 95 + HB3 ARG 95 OK 100 100 - 100 - 3.9=100 Peak 6038 from cnoeabs.peaks (3.22, 1.97, 29.82 ppm; 3.86 A): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 95 + HB3 ARG 95 OK 100 100 - 100 - 3.9=100 HD2 ARG 95 + HB3 ARG 95 OK 100 100 - 100 - 3.9=100 Peak 6039 from cnoeabs.peaks (8.16, 1.88, 27.31 ppm; 4.00 A): 2 out of 2 assignments used, quality = 0.98: * H ARG 95 + HG2 ARG 95 OK 94 100 - 94 - 4.7=63, 1630/3.0=26...(15) H LEU 45 + HG2 ARG 95 OK 61 100 - 61 - 6047/1.8=12, 6023/3.0=11...(17) Peak 6040 from cnoeabs.peaks (4.15, 1.88, 27.31 ppm; 3.88 A): 2 out of 8 assignments used, quality = 0.99: * HA ARG 95 + HG2 ARG 95 OK 99 100 - 99 - 4.1=85, 3.0/6035=26...(25) HA LEU 45 + HG2 ARG 95 OK 59 100 - 59 - 6048/1.8=12, 3.0/6039=11...(20) HA ALA 124 - HG2 ARG 95 lone 7 98 - 7 - 10630/3.0=2, 6048/1.8=1 HA LEU 63 - HG2 ARG 95 lone 2 73 - 3 - HA LEU 70 - HG2 ARG 95 lone 2 90 - 2 - HA GLU 89 - HG2 ARG 95 lone 1 100 - 1 - HA GLN 122 - HG2 ARG 95 lone 1 77 - 1 - HA VAL 22 - HG2 ARG 95 lone 1 65 - 1 - Peak 6041 from cnoeabs.peaks (1.90, 1.88, 27.31 ppm; 2.46 A): 4 out of 21 assignments used, quality = 0.90: * HB2 ARG 95 + HG2 ARG 95 OK 82 100 - 82 - 3.0=58, 1.8/6035=19...(17) HB2 LEU 45 + HG2 ARG 95 OK 25 97 - 26 - 4001=4, 3.0/6040=4...(8) HB2 LYS 96 + HG2 ARG 95 OK 18 99 - 18 - 4.1/607=4, 6049/1.8=3...(4) HG LEU 45 + HG2 ARG 95 OK 16 77 - 21 - 4013/3.0=3, 4.3/6040=2...(8) HB3 LYS 44 - HG2 ARG 95 lone 7 94 - 7 - 4.7/6039=2, 6049/1.8=1 HB2 LYS 44 - HG2 ARG 95 lone 6 81 - 7 - 4.7/6039=2 HB3 LYS 20 - HG2 ARG 95 lone 4 97 - 4 - HB2 LYS 20 - HG2 ARG 95 lone 4 97 - 4 - HB2 GLU 128 - HG2 ARG 95 lone 3 99 - 3 - 6027=1 HB2 LYS 73 - HG2 ARG 95 lone 3 100 - 3 - HB3 LYS 73 - HG2 ARG 95 lone 3 100 - 3 - HB3 LYS 43 - HG2 ARG 95 lone 2 99 - 2 - HB2 LYS 43 - HG2 ARG 95 lone 2 92 - 2 - HB3 LYS 16 - HG2 ARG 95 lone 1 73 - 2 - HB2 LYS 16 - HG2 ARG 95 lone 1 70 - 2 - HB3 LYS 123 - HG2 ARG 95 lone 1 70 - 2 - QE MET 67 - HG2 ARG 95 lone 1 70 - 1 - HB ILE 71 - HG2 ARG 95 lone 1 100 - 1 - HB ILE 7 - HG2 ARG 95 lone 0 99 - 0 - HB2 LYS 49 - HG2 ARG 95 lone 0 100 - 0 - HB ILE 15 - HG2 ARG 95 lone 0 65 - 0 - Peak 6042 from cnoeabs.peaks (1.97, 1.88, 27.31 ppm; 3.16 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 95 + HG2 ARG 95 OK 100 100 - 100 - 3.0=100 Peak 6043 from cnoeabs.peaks (1.88, 1.88, 27.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 95 + HG2 ARG 95 OK 100 100 - 100 Peak 6044 from cnoeabs.peaks (1.68, 1.88, 27.31 ppm; 3.05 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 95 + HG2 ARG 95 OK 100 100 - 100 - 1.8=100 Peak 6045 from cnoeabs.peaks (3.22, 1.88, 27.31 ppm; 3.71 A): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 95 + HG2 ARG 95 OK 100 100 - 100 - 2.9=100 HD3 ARG 95 + HG2 ARG 95 OK 100 100 - 100 - 2.9=100 Peak 6046 from cnoeabs.peaks (3.22, 1.88, 27.31 ppm; 3.71 A): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 95 + HG2 ARG 95 OK 100 100 - 100 - 2.9=100 HD2 ARG 95 + HG2 ARG 95 OK 100 100 - 100 - 2.9=100 Peak 6047 from cnoeabs.peaks (8.16, 1.68, 27.31 ppm; 4.53 A): 2 out of 2 assignments used, quality = 1.00: * H ARG 95 + HG3 ARG 95 OK 99 100 - 99 - 4.7=92, 1630/3.0=30...(14) H LEU 45 + HG3 ARG 95 OK 66 100 - 67 - 6039/1.8=18, 6023/3.0=14...(16) Peak 6048 from cnoeabs.peaks (4.15, 1.68, 27.31 ppm; 3.97 A): 2 out of 8 assignments used, quality = 1.00: * HA ARG 95 + HG3 ARG 95 OK 99 100 - 99 - 4.1=92, 6019/1.8=24...(26) HA LEU 45 + HG3 ARG 95 OK 59 100 - 59 - 6040/1.8=13, 3.0/6047=10...(19) HA ALA 124 - HG3 ARG 95 lone 6 98 - 6 - 10630/3.0=2, 6040/1.8=2 HA LEU 70 - HG3 ARG 95 lone 2 90 - 2 - HA LEU 63 - HG3 ARG 95 lone 2 73 - 2 - HA GLU 89 - HG3 ARG 95 lone 1 100 - 1 - HA GLN 122 - HG3 ARG 95 lone 1 77 - 1 - HA VAL 22 - HG3 ARG 95 lone 1 65 - 1 - Peak 6049 from cnoeabs.peaks (1.90, 1.68, 27.31 ppm; 2.93 A): 1 out of 21 assignments used, quality = 0.99: * HB2 ARG 95 + HG3 ARG 95 OK 99 100 - 99 - 3.0=98, 6027/1.8=23...(18) HB2 LEU 45 - HG3 ARG 95 OK 32 97 - 33 - 6041/1.8=6, 3.0/6048=5...(14) HB2 LYS 96 - HG3 ARG 95 OK 25 99 - 26 - 4.1/7792=5, 6041/1.8=4...(9) HG LEU 45 - HG3 ARG 95 OK 22 77 - 29 - 4.3/6048=4, 4013/3.0=4...(12) HB3 LYS 44 - HG3 ARG 95 OK 10 94 - 11 - 4.7/6047=3, 6041/1.8=2, ~11427=1 HB2 LYS 44 - HG3 ARG 95 poor 8 81 - 10 - 4.7/6047=3, 6041/1.8=1, ~11427=1 HB3 LYS 20 - HG3 ARG 95 lone 5 97 - 5 - HB2 LYS 20 - HG3 ARG 95 lone 5 97 - 5 - HB2 LYS 73 - HG3 ARG 95 lone 4 100 - 4 - HB3 LYS 73 - HG3 ARG 95 lone 4 100 - 4 - HB3 LYS 43 - HG3 ARG 95 lone 4 99 - 4 - HB2 LYS 43 - HG3 ARG 95 lone 3 92 - 4 - HB2 GLU 128 - HG3 ARG 95 lone 3 99 - 3 - HB3 LYS 16 - HG3 ARG 95 lone 2 73 - 3 - HB3 LYS 123 - HG3 ARG 95 lone 2 70 - 3 - HB2 LYS 16 - HG3 ARG 95 lone 2 70 - 3 - HB ILE 71 - HG3 ARG 95 lone 1 100 - 1 - HB ILE 7 - HG3 ARG 95 lone 1 99 - 1 - QE MET 67 - HG3 ARG 95 lone 1 70 - 1 - HB2 LYS 49 - HG3 ARG 95 lone 0 100 - 0 - HB ILE 15 - HG3 ARG 95 lone 0 65 - 0 - Peak 6050 from cnoeabs.peaks (1.97, 1.68, 27.31 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 95 + HG3 ARG 95 OK 100 100 - 100 - 3.0=100 Peak 6051 from cnoeabs.peaks (1.88, 1.68, 27.31 ppm; 2.83 A): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 95 + HG3 ARG 95 OK 100 100 - 100 - 1.8=100 Peak 6052 from cnoeabs.peaks (1.68, 1.68, 27.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 95 + HG3 ARG 95 OK 100 100 - 100 Peak 6053 from cnoeabs.peaks (3.22, 1.68, 27.31 ppm; 3.53 A): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 95 + HG3 ARG 95 OK 100 100 - 100 - 2.9=100 HD3 ARG 95 + HG3 ARG 95 OK 100 100 - 100 - 2.9=100 Peak 6054 from cnoeabs.peaks (3.22, 1.68, 27.31 ppm; 3.53 A): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 95 + HG3 ARG 95 OK 100 100 - 100 - 2.9=100 HD2 ARG 95 + HG3 ARG 95 OK 100 100 - 100 - 2.9=100 Peak 6055 from cnoeabs.peaks (8.16, 3.22, 43.41 ppm; 5.34 A): 4 out of 4 assignments used, quality = 1.00: * H ARG 95 + HD2 ARG 95 OK 99 100 - 99 - 5.9=74, 1630/3.9=31...(16) H ARG 95 + HD3 ARG 95 OK 99 100 - 99 - 5.9=74, 1630/3.9=31...(16) H LEU 45 + HD2 ARG 95 OK 69 100 - 69 - 6039/2.9=18, 6047/2.9=17...(12) H LEU 45 + HD3 ARG 95 OK 69 100 - 69 - 6039/2.9=18, 6047/2.9=17...(12) Peak 6056 from cnoeabs.peaks (4.15, 3.22, 43.41 ppm; 4.79 A): 4 out of 16 assignments used, quality = 1.00: * HA ARG 95 + HD2 ARG 95 OK 99 100 - 99 - 5.3=75, 6040/2.9=24...(26) HA ARG 95 + HD3 ARG 95 OK 99 100 - 99 - 5.3=75, 6040/2.9=24...(26) HA LEU 45 + HD2 ARG 95 OK 59 100 - 59 - 6040/2.9=14, 6048/2.9=14...(16) HA LEU 45 + HD3 ARG 95 OK 59 100 - 59 - 6040/2.9=14, 6048/2.9=14...(16) HA ALA 124 - HD2 ARG 95 lone 6 98 - 6 - 10630/3.9=2, 6040/2.9=2 HA ALA 124 - HD3 ARG 95 lone 6 98 - 6 - 10630/3.9=2, 6040/2.9=2 HA LEU 70 - HD2 ARG 95 lone 2 90 - 2 - HA LEU 70 - HD3 ARG 95 lone 2 89 - 2 - HA LEU 63 - HD2 ARG 95 lone 2 73 - 2 - HA LEU 63 - HD3 ARG 95 lone 2 73 - 2 - HA GLU 89 - HD2 ARG 95 lone 2 100 - 2 - HA GLU 89 - HD3 ARG 95 lone 2 100 - 2 - HA VAL 22 - HD2 ARG 95 lone 1 65 - 2 - HA VAL 22 - HD3 ARG 95 lone 1 65 - 2 - HA GLN 122 - HD2 ARG 95 lone 1 77 - 1 - HA GLN 122 - HD3 ARG 95 lone 1 77 - 1 - Peak 6057 from cnoeabs.peaks (1.90, 3.22, 43.41 ppm; 3.37 A): 2 out of 42 assignments used, quality = 0.99: * HB2 ARG 95 + HD2 ARG 95 OK 92 100 - 92 - 3.9=66, 6027/2.9=19...(19) HB2 ARG 95 + HD3 ARG 95 OK 92 100 - 92 - 3.9=66, 6027/2.9=19...(19) HB2 LEU 45 - HD2 ARG 95 OK 28 97 - 29 - 6041/2.9=5, 6049/2.9=4...(12) HB2 LEU 45 - HD3 ARG 95 OK 28 97 - 29 - 6041/2.9=5, 6049/2.9=4...(12) HB2 LYS 96 - HD2 ARG 95 OK 23 99 - 23 - 6041/2.9=3, 6049/2.9=3...(9) HB2 LYS 96 - HD3 ARG 95 OK 23 99 - 23 - 6041/2.9=3, 6049/2.9=3...(9) HG LEU 45 - HD2 ARG 95 OK 18 77 - 24 - 4013/3.9=3, 6041/2.9=3...(12) HG LEU 45 - HD3 ARG 95 OK 18 77 - 24 - 4013/3.9=3, 6041/2.9=3...(12) HB3 LYS 44 - HD2 ARG 95 lone 8 94 - 8 - 4.7/6055=2, 6041/2.9=1...(4) HB3 LYS 44 - HD3 ARG 95 lone 8 94 - 8 - 4.7/6063=2, 6041/2.9=1...(4) HB2 LYS 44 - HD2 ARG 95 lone 7 81 - 8 - 4.7/6055=2, ~11427=1...(4) HB2 LYS 44 - HD3 ARG 95 lone 7 80 - 8 - 4.7/6063=2, ~11427=1...(4) HB2 LYS 20 - HD2 ARG 95 lone 4 97 - 4 - HB3 LYS 20 - HD2 ARG 95 lone 4 97 - 4 - HB2 LYS 20 - HD3 ARG 95 lone 4 97 - 4 - HB3 LYS 20 - HD3 ARG 95 lone 4 97 - 4 - HB2 GLU 128 - HD2 ARG 95 lone 4 99 - 4 - HB2 GLU 128 - HD3 ARG 95 lone 4 99 - 4 - HB2 LYS 73 - HD2 ARG 95 lone 4 100 - 4 - HB2 LYS 73 - HD3 ARG 95 lone 4 100 - 4 - HB3 LYS 73 - HD2 ARG 95 lone 4 100 - 4 - HB3 LYS 73 - HD3 ARG 95 lone 4 100 - 4 - HB3 LYS 43 - HD2 ARG 95 lone 3 99 - 3 - HB3 LYS 43 - HD3 ARG 95 lone 3 99 - 3 - HB2 LYS 43 - HD2 ARG 95 lone 3 92 - 3 - HB2 LYS 43 - HD3 ARG 95 lone 3 92 - 3 - HB3 LYS 123 - HD3 ARG 95 lone 2 69 - 3 - HB3 LYS 123 - HD2 ARG 95 lone 2 70 - 3 - HB3 LYS 16 - HD2 ARG 95 lone 2 73 - 2 - HB3 LYS 16 - HD3 ARG 95 lone 2 73 - 2 - HB2 LYS 16 - HD2 ARG 95 lone 2 70 - 2 - HB2 LYS 16 - HD3 ARG 95 lone 2 69 - 2 - HB ILE 71 - HD2 ARG 95 lone 1 100 - 1 - HB ILE 71 - HD3 ARG 95 lone 1 100 - 1 - HB ILE 7 - HD2 ARG 95 lone 1 99 - 1 - HB ILE 7 - HD3 ARG 95 lone 1 99 - 1 - QE MET 67 - HD2 ARG 95 lone 1 70 - 1 - QE MET 67 - HD3 ARG 95 lone 1 69 - 1 - HB2 LYS 49 - HD2 ARG 95 lone 0 100 - 0 - HB2 LYS 49 - HD3 ARG 95 lone 0 100 - 0 - HB ILE 15 - HD2 ARG 95 lone 0 65 - 1 - HB ILE 15 - HD3 ARG 95 lone 0 65 - 1 - Peak 6058 from cnoeabs.peaks (1.97, 3.22, 43.41 ppm; 3.86 A): 2 out of 16 assignments used, quality = 1.00: * HB3 ARG 95 + HD2 ARG 95 OK 100 100 - 100 - 3.9=100 HB3 ARG 95 + HD3 ARG 95 OK 100 100 - 100 - 3.9=100 HB3 LYS 96 - HD2 ARG 95 OK 28 100 - 28 - ~11427=4, 1630/5.9=4...(11) HB3 LYS 96 - HD3 ARG 95 OK 28 100 - 28 - ~11427=4, 1630/5.9=4...(11) HB3 GLU 128 - HD2 ARG 95 lone 3 73 - 4 - HB3 GLU 128 - HD3 ARG 95 lone 3 73 - 4 - HB VAL 22 - HD2 ARG 95 lone 1 81 - 1 - HB VAL 22 - HD3 ARG 95 lone 1 80 - 1 - HB3 GLU 21 - HD2 ARG 95 lone 1 100 - 1 - HB3 GLU 21 - HD3 ARG 95 lone 1 100 - 1 - HB3 GLU 103 - HD2 ARG 95 lone 0 70 - 1 - HB3 GLU 103 - HD3 ARG 95 lone 0 69 - 1 - HB VAL 29 - HD2 ARG 95 lone 0 70 - 1 - HB VAL 29 - HD3 ARG 95 lone 0 69 - 1 - HB3 GLU 52 - HD2 ARG 95 lone 0 65 - 0 - HB3 GLU 52 - HD3 ARG 95 lone 0 65 - 0 - Peak 6059 from cnoeabs.peaks (1.88, 3.22, 43.41 ppm; 3.34 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 95 + HD2 ARG 95 OK 100 100 - 100 - 2.9=100 HG2 ARG 95 + HD3 ARG 95 OK 100 100 - 100 - 2.9=100 Peak 6060 from cnoeabs.peaks (1.68, 3.22, 43.41 ppm; 3.42 A): 2 out of 2 assignments used, quality = 1.00: * HG3 ARG 95 + HD2 ARG 95 OK 100 100 - 100 - 2.9=100 HG3 ARG 95 + HD3 ARG 95 OK 100 100 - 100 - 2.9=100 Peak 6061 from cnoeabs.peaks (3.22, 3.22, 43.41 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 ARG 95 + HD2 ARG 95 OK 100 100 - 100 HD3 ARG 95 + HD3 ARG 95 OK 100 100 - 100 Peak 6062 from cnoeabs.peaks (3.22, 3.22, 43.41 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD2 ARG 95 + HD2 ARG 95 OK 100 100 - 100 HD3 ARG 95 + HD3 ARG 95 OK 100 100 - 100 Reference assignment not found: HD3 ARG 95 - HD2 ARG 95 Peak 6063 from cnoeabs.peaks (8.16, 3.22, 43.41 ppm; 5.34 A): 4 out of 4 assignments used, quality = 1.00: * H ARG 95 + HD3 ARG 95 OK 99 100 - 99 - 5.9=74, 1630/3.9=31...(16) H ARG 95 + HD2 ARG 95 OK 99 100 - 99 - 5.9=74, 1630/3.9=31...(16) H LEU 45 + HD3 ARG 95 OK 69 100 - 69 - 6039/2.9=18, 6047/2.9=17...(12) H LEU 45 + HD2 ARG 95 OK 69 100 - 69 - 6039/2.9=18, 6047/2.9=17...(12) Peak 6064 from cnoeabs.peaks (4.15, 3.22, 43.41 ppm; 4.79 A): 4 out of 16 assignments used, quality = 1.00: * HA ARG 95 + HD3 ARG 95 OK 99 100 - 99 - 5.3=75, 6040/2.9=24...(26) HA ARG 95 + HD2 ARG 95 OK 99 100 - 99 - 5.3=75, 6040/2.9=24...(26) HA LEU 45 + HD3 ARG 95 OK 59 100 - 59 - 6040/2.9=14, 6048/2.9=14...(16) HA LEU 45 + HD2 ARG 95 OK 59 100 - 59 - 6040/2.9=14, 6048/2.9=14...(16) HA ALA 124 - HD3 ARG 95 lone 6 98 - 6 - 10630/3.9=2, 6040/2.9=2 HA ALA 124 - HD2 ARG 95 lone 6 98 - 6 - 10630/3.9=2, 6040/2.9=2 HA LEU 70 - HD3 ARG 95 lone 2 90 - 2 - HA LEU 70 - HD2 ARG 95 lone 2 89 - 2 - HA LEU 63 - HD3 ARG 95 lone 2 73 - 2 - HA LEU 63 - HD2 ARG 95 lone 2 73 - 2 - HA GLU 89 - HD3 ARG 95 lone 2 100 - 2 - HA GLU 89 - HD2 ARG 95 lone 2 100 - 2 - HA VAL 22 - HD3 ARG 95 lone 1 65 - 2 - HA VAL 22 - HD2 ARG 95 lone 1 65 - 2 - HA GLN 122 - HD3 ARG 95 lone 1 77 - 1 - HA GLN 122 - HD2 ARG 95 lone 1 77 - 1 - Peak 6065 from cnoeabs.peaks (1.90, 3.22, 43.41 ppm; 3.37 A): 2 out of 42 assignments used, quality = 0.99: * HB2 ARG 95 + HD3 ARG 95 OK 92 100 - 92 - 3.9=66, 6027/2.9=19...(19) HB2 ARG 95 + HD2 ARG 95 OK 92 100 - 92 - 3.9=66, 6027/2.9=19...(19) HB2 LEU 45 - HD3 ARG 95 OK 28 97 - 29 - 6041/2.9=5, 6049/2.9=4...(12) HB2 LEU 45 - HD2 ARG 95 OK 28 97 - 29 - 6041/2.9=5, 6049/2.9=4...(12) HB2 LYS 96 - HD3 ARG 95 OK 23 99 - 23 - 6041/2.9=3, 6049/2.9=3...(9) HB2 LYS 96 - HD2 ARG 95 OK 23 99 - 23 - 6041/2.9=3, 6049/2.9=3...(9) HG LEU 45 - HD3 ARG 95 OK 18 77 - 24 - 4013/3.9=3, 6041/2.9=3...(12) HG LEU 45 - HD2 ARG 95 OK 18 77 - 24 - 4013/3.9=3, 6041/2.9=3...(12) HB3 LYS 44 - HD3 ARG 95 lone 8 94 - 8 - 4.7/6063=2, 6041/2.9=1...(4) HB3 LYS 44 - HD2 ARG 95 lone 8 94 - 8 - 4.7/6055=2, 6041/2.9=1...(4) HB2 LYS 44 - HD3 ARG 95 lone 7 81 - 8 - 4.7/6063=2, ~11427=1...(4) HB2 LYS 44 - HD2 ARG 95 lone 7 80 - 8 - 4.7/6055=2, ~11427=1...(4) HB2 LYS 20 - HD3 ARG 95 lone 4 97 - 4 - HB3 LYS 20 - HD3 ARG 95 lone 4 97 - 4 - HB2 LYS 20 - HD2 ARG 95 lone 4 97 - 4 - HB3 LYS 20 - HD2 ARG 95 lone 4 97 - 4 - HB2 GLU 128 - HD3 ARG 95 lone 4 99 - 4 - HB2 GLU 128 - HD2 ARG 95 lone 4 99 - 4 - HB2 LYS 73 - HD3 ARG 95 lone 4 100 - 4 - HB2 LYS 73 - HD2 ARG 95 lone 4 100 - 4 - HB3 LYS 73 - HD3 ARG 95 lone 4 100 - 4 - HB3 LYS 73 - HD2 ARG 95 lone 4 100 - 4 - HB3 LYS 43 - HD3 ARG 95 lone 3 99 - 3 - HB3 LYS 43 - HD2 ARG 95 lone 3 99 - 3 - HB2 LYS 43 - HD3 ARG 95 lone 3 92 - 3 - HB2 LYS 43 - HD2 ARG 95 lone 3 92 - 3 - HB3 LYS 123 - HD3 ARG 95 lone 2 70 - 3 - HB3 LYS 123 - HD2 ARG 95 lone 2 69 - 3 - HB3 LYS 16 - HD3 ARG 95 lone 2 73 - 2 - HB3 LYS 16 - HD2 ARG 95 lone 2 73 - 2 - HB2 LYS 16 - HD3 ARG 95 lone 2 70 - 2 - HB2 LYS 16 - HD2 ARG 95 lone 2 69 - 2 - HB ILE 71 - HD3 ARG 95 lone 1 100 - 1 - HB ILE 71 - HD2 ARG 95 lone 1 100 - 1 - HB ILE 7 - HD2 ARG 95 lone 1 99 - 1 - HB ILE 7 - HD3 ARG 95 lone 1 99 - 1 - QE MET 67 - HD3 ARG 95 lone 1 70 - 1 - QE MET 67 - HD2 ARG 95 lone 1 69 - 1 - HB2 LYS 49 - HD3 ARG 95 lone 0 100 - 0 - HB2 LYS 49 - HD2 ARG 95 lone 0 100 - 0 - HB ILE 15 - HD3 ARG 95 lone 0 65 - 1 - HB ILE 15 - HD2 ARG 95 lone 0 65 - 1 - Peak 6066 from cnoeabs.peaks (1.97, 3.22, 43.41 ppm; 3.86 A): 2 out of 16 assignments used, quality = 1.00: * HB3 ARG 95 + HD3 ARG 95 OK 100 100 - 100 - 3.9=100 HB3 ARG 95 + HD2 ARG 95 OK 100 100 - 100 - 3.9=100 HB3 LYS 96 - HD3 ARG 95 OK 28 100 - 28 - ~11427=4, 1630/5.9=4...(11) HB3 LYS 96 - HD2 ARG 95 OK 28 100 - 28 - ~11427=4, 1630/5.9=4...(11) HB3 GLU 128 - HD3 ARG 95 lone 3 73 - 4 - HB3 GLU 128 - HD2 ARG 95 lone 3 73 - 4 - HB VAL 22 - HD3 ARG 95 lone 1 81 - 1 - HB VAL 22 - HD2 ARG 95 lone 1 80 - 1 - HB3 GLU 21 - HD2 ARG 95 lone 1 100 - 1 - HB3 GLU 21 - HD3 ARG 95 lone 1 100 - 1 - HB3 GLU 103 - HD3 ARG 95 lone 0 70 - 1 - HB3 GLU 103 - HD2 ARG 95 lone 0 69 - 1 - HB VAL 29 - HD3 ARG 95 lone 0 70 - 1 - HB VAL 29 - HD2 ARG 95 lone 0 69 - 1 - HB3 GLU 52 - HD3 ARG 95 lone 0 65 - 0 - HB3 GLU 52 - HD2 ARG 95 lone 0 65 - 0 - Peak 6067 from cnoeabs.peaks (1.88, 3.22, 43.41 ppm; 3.34 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 95 + HD3 ARG 95 OK 100 100 - 100 - 2.9=100 HG2 ARG 95 + HD2 ARG 95 OK 100 100 - 100 - 2.9=100 Peak 6068 from cnoeabs.peaks (1.68, 3.22, 43.41 ppm; 3.42 A): 2 out of 2 assignments used, quality = 1.00: * HG3 ARG 95 + HD3 ARG 95 OK 100 100 - 100 - 2.9=100 HG3 ARG 95 + HD2 ARG 95 OK 100 100 - 100 - 2.9=100 Peak 6069 from cnoeabs.peaks (3.22, 3.22, 43.41 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 ARG 95 + HD3 ARG 95 OK 100 100 - 100 HD2 ARG 95 + HD2 ARG 95 OK 100 100 - 100 Reference assignment not found: HD2 ARG 95 - HD3 ARG 95 Peak 6070 from cnoeabs.peaks (3.22, 3.22, 43.41 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 ARG 95 + HD3 ARG 95 OK 100 100 - 100 HD2 ARG 95 + HD2 ARG 95 OK 100 100 - 100 Peak 6071 from cnoeabs.peaks (7.79, 4.07, 58.93 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 96 + HA LYS 96 OK 100 100 - 100 - 2.9=100 Peak 6072 from cnoeabs.peaks (4.07, 4.07, 58.93 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HA LYS 96 + HA LYS 96 OK 100 100 - 100 HA GLU 91 + HA GLU 91 OK 63 63 - 100 HA GLU 37 + HA GLU 37 OK 54 54 - 100 Peak 6073 from cnoeabs.peaks (1.90, 4.07, 58.93 ppm; 2.78 A): 2 out of 60 assignments used, quality = 0.95: * HB2 LYS 96 + HA LYS 96 OK 93 100 - 93 - 3.0=83, 2.9/6076=9...(18) HB2 ARG 95 + HA LYS 96 OK 34 99 - 34 - 7789/2.9=6, ~7790=5...(11) HB3 LYS 44 - HA LYS 96 OK 32 99 - 33 - 2.9/6075=5, 2.9/6076=4...(13) HB2 LYS 44 - HA LYS 96 OK 30 92 - 33 - 2.9/6075=5, 2.9/6076=4...(15) HB2 LYS 20 - HA LYS 96 lone 7 90 - 8 - HB3 LYS 20 - HA LYS 96 lone 7 90 - 8 - HB2 LYS 73 - HA LYS 96 lone 6 98 - 6 - HB3 LYS 123 - HA LYS 96 lone 6 84 - 7 - 1.8/8046=1 HB3 LYS 73 - HA LYS 96 lone 6 97 - 6 - HB3 LYS 43 - HA LYS 96 lone 6 100 - 6 - HB2 LYS 43 - HA LYS 96 lone 5 98 - 6 - HB2 LEU 45 - HA LYS 96 lone 5 100 - 5 - HB2 GLU 128 - HA LYS 96 lone 4 100 - 4 - 1.8/8329=1 HB2 ARG 95 - HA GLU 91 lone 3 68 - 4 - 7229/3.6=2, 3.9/8197=1 HG LEU 45 - HA LYS 96 lone 2 61 - 4 - 607/2.9=1 HB2 GLU 128 - HA GLU 91 lone 2 70 - 3 - 4.0/2263=1, 7229/3.6=1 HB ILE 71 - HA LYS 96 lone 2 99 - 2 - HB2 LYS 96 - HA GLU 91 lone 1 70 - 2 - HB3 LYS 44 - HA GLU 91 lone 1 67 - 1 - HB2 LYS 44 - HA GLU 91 lone 1 59 - 1 - HB2 LYS 96 - HA GLU 37 lone 1 57 - 1 - HB ILE 7 - HA GLU 37 lone 1 49 - 2 - HB2 LYS 49 - HA LYS 96 lone 1 100 - 1 - HB2 ARG 95 - HA GLU 37 lone 1 56 - 1 - HB2 LEU 45 - HA GLU 91 lone 1 69 - 1 - HB2 LEU 45 - HA GLU 37 lone 1 56 - 1 - HB2 LYS 73 - HA GLU 37 lone 1 54 - 1 - HB3 LYS 73 - HA GLU 37 lone 1 52 - 1 - HB ILE 71 - HA GLU 37 lone 1 55 - 1 - HB3 LYS 123 - HA GLU 91 lone 0 52 - 1 - HB3 LYS 44 - HA GLU 37 lone 0 55 - 1 - HB ILE 15 - HA GLU 37 lone 0 39 - 1 - HB2 GLU 128 - HA GLU 37 lone 0 57 - 1 - HB ILE 7 - HA LYS 96 lone 0 94 - 0 - HB3 LYS 43 - HA GLU 91 lone 0 70 - 0 - HB2 LYS 44 - HA GLU 37 lone 0 48 - 1 - HB ILE 71 - HA GLU 91 lone 0 67 - 0 - HB2 LYS 43 - HA GLU 91 lone 0 66 - 0 - HG2 MET 121 - HA GLU 91 lone 0 44 - 1 - HB2 LYS 73 - HA GLU 91 lone 0 66 - 0 - HB3 LYS 73 - HA GLU 91 lone 0 65 - 0 - HG LEU 45 - HA GLU 37 lone 0 28 - 1 - HB3 LYS 20 - HA GLU 91 lone 0 57 - 0 - HB2 LYS 20 - HA GLU 91 lone 0 57 - 0 - HB3 LYS 43 - HA GLU 37 lone 0 57 - 0 - HB ILE 7 - HA GLU 91 lone 0 61 - 0 - HB ILE 15 - HA LYS 96 lone 0 81 - 0 - HB2 LYS 49 - HA GLU 91 lone 0 70 - 0 - HB2 LYS 43 - HA GLU 37 lone 0 54 - 0 - HG2 MET 121 - HA LYS 96 lone 0 73 - 0 - HG LEU 45 - HA GLU 91 lone 0 36 - 1 - HB2 LEU 81 - HA LYS 96 lone 0 65 - 0 - HB3 LYS 123 - HA GLU 37 lone 0 42 - 0 - HB3 LYS 20 - HA GLU 37 lone 0 46 - 0 - HB2 LYS 20 - HA GLU 37 lone 0 46 - 0 - HB ILE 15 - HA GLU 91 lone 0 49 - 0 - HB2 LYS 49 - HA GLU 37 lone 0 57 - 0 - HB2 LEU 81 - HA GLU 91 lone 0 39 - 0 - HG2 MET 121 - HA GLU 37 lone 0 35 - 0 - HB2 LEU 81 - HA GLU 37 lone 0 31 - 0 - Peak 6074 from cnoeabs.peaks (1.97, 4.07, 58.93 ppm; 2.97 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 96 + HA LYS 96 OK 100 100 - 100 - 3.0=100 Peak 6075 from cnoeabs.peaks (1.44, 4.07, 58.93 ppm; 3.46 A): 2 out of 48 assignments used, quality = 0.96: * HG2 LYS 96 + HA LYS 96 OK 92 100 - 92 - 4.0=67, 1.8/6076=18...(31) HG3 LYS 44 + HA LYS 96 OK 54 100 - 55 - 1.8/6076=9, 6102=9...(20) HG2 LYS 39 - HA LYS 96 OK 19 70 - 27 - ~7476=4, 7475/2.9=4...(12) HB3 LEU 63 - HA GLU 37 poor 4 39 - 10 - ~9360=3, 9676/3.9=2...(4) HB3 LEU 63 - HA LYS 96 lone 2 81 - 3 - HG LEU 80 - HA LYS 96 lone 2 100 - 2 - HG2 LYS 96 - HA GLU 91 lone 2 70 - 3 - HG3 LYS 17 - HA LYS 96 lone 2 90 - 2 - HG12 ILE 56 - HA LYS 96 lone 1 84 - 2 - HG3 LYS 44 - HA GLU 91 lone 1 70 - 2 - HG2 LYS 39 - HA GLU 37 lone 1 33 - 4 - 1235/3.6=2, 4.9/7795=1 HG2 LYS 96 - HA GLU 37 lone 1 57 - 2 - HB3 LEU 4 - HA LYS 96 lone 1 100 - 1 - HB2 LEU 4 - HA LYS 96 lone 1 100 - 1 - HB3 LEU 6 - HA GLU 37 lone 1 31 - 4 - 1235/3.6=1, ~9360=1 HG LEU 4 - HA LYS 96 lone 1 90 - 1 - HB3 LEU 63 - HA GLU 91 lone 1 49 - 2 - HG3 LYS 49 - HA LYS 96 lone 1 65 - 1 - HG2 LYS 49 - HA LYS 96 lone 1 65 - 1 - HG3 LYS 44 - HA GLU 37 lone 1 57 - 1 - HG3 ARG 30 - HA LYS 96 lone 1 87 - 1 - HG12 ILE 7 - HA GLU 37 lone 1 28 - 3 - HB3 LEU 6 - HA LYS 96 lone 1 65 - 1 - HB3 LYS 61 - HA LYS 96 lone 1 96 - 1 - HG3 ARG 30 - HA GLU 91 lone 0 55 - 1 - HG12 ILE 7 - HA LYS 96 lone 0 61 - 1 - HG12 ILE 56 - HA GLU 91 lone 0 52 - 1 - HG LEU 80 - HA GLU 91 lone 0 70 - 1 - HG3 LYS 17 - HA GLU 91 lone 0 57 - 0 - HB2 LEU 4 - HA GLU 91 lone 0 69 - 0 - HB3 LEU 4 - HA GLU 91 lone 0 69 - 0 - HG2 LYS 39 - HA GLU 91 lone 0 41 - 1 - HG LEU 80 - HA GLU 37 lone 0 57 - 0 - HB3 LEU 6 - HA GLU 91 lone 0 39 - 1 - HG3 ARG 30 - HA GLU 37 lone 0 44 - 1 - HB3 LYS 61 - HA GLU 91 lone 0 63 - 0 - HG12 ILE 7 - HA GLU 91 lone 0 36 - 1 - HG LEU 4 - HA GLU 91 lone 0 57 - 0 - HB2 LEU 4 - HA GLU 37 lone 0 56 - 0 - HB3 LEU 4 - HA GLU 37 lone 0 56 - 0 - HG3 LYS 49 - HA GLU 91 lone 0 39 - 1 - HG2 LYS 49 - HA GLU 91 lone 0 39 - 1 - HG3 LYS 17 - HA GLU 37 lone 0 46 - 0 - HG LEU 4 - HA GLU 37 lone 0 46 - 0 - HB3 LYS 61 - HA GLU 37 lone 0 51 - 0 - HG12 ILE 56 - HA GLU 37 lone 0 42 - 0 - HG2 LYS 49 - HA GLU 37 lone 0 31 - 0 - HG3 LYS 49 - HA GLU 37 lone 0 31 - 0 - Peak 6076 from cnoeabs.peaks (1.57, 4.07, 58.93 ppm; 3.40 A): 2 out of 36 assignments used, quality = 0.95: * HG3 LYS 96 + HA LYS 96 OK 91 100 - 91 - 4.0=63, 1.8/6075=16...(30) HG2 LYS 44 + HA LYS 96 OK 44 87 - 51 - 1.8/6075=9, 1640/2.9=6...(21) HG2 LYS 123 - HA LYS 96 lone 10 99 - 10 - 1640/2.9=1, 2.9/8046=1 HD3 LYS 106 - HA GLU 91 lone 5 63 - 8 - 1.8/11540=2, ~10077=2, 11540=2 HD2 LYS 106 - HA GLU 91 lone 5 61 - 8 - 1.8/11540=2, ~10077=2, 11540=2 HG2 LYS 115 - HA LYS 96 lone 3 94 - 3 - HD3 LYS 106 - HA LYS 96 lone 3 96 - 3 - HD2 LYS 106 - HA LYS 96 lone 3 94 - 3 - HB VAL 78 - HA LYS 96 lone 3 84 - 3 - 3.7/7795=1, ~11291=1 HB3 LEU 70 - HA LYS 96 lone 2 100 - 2 - HG3 LYS 96 - HA GLU 91 lone 2 70 - 3 - HG3 LYS 96 - HA GLU 37 lone 1 57 - 2 - HG2 LYS 44 - HA GLU 91 lone 1 55 - 2 - HG12 ILE 3 - HA GLU 91 lone 1 61 - 2 - ~10656=1 HG LEU 55 - HA LYS 96 lone 1 99 - 1 - HB VAL 78 - HA GLU 37 lone 1 42 - 2 - ~9360=1 HG2 LYS 123 - HA GLU 91 lone 1 67 - 1 - HG12 ILE 3 - HA LYS 96 lone 1 94 - 1 - HG LEU 55 - HA GLU 37 lone 1 56 - 1 - HB3 LEU 70 - HA GLU 91 lone 1 70 - 1 - HG LEU 68 - HA LYS 96 lone 1 65 - 1 - HG12 ILE 116 - HA LYS 96 lone 1 81 - 1 - HG2 LYS 44 - HA GLU 37 lone 1 44 - 1 - HG LEU 55 - HA GLU 91 lone 0 68 - 1 - HG2 LYS 115 - HA GLU 37 lone 0 49 - 1 - HD3 LYS 106 - HA GLU 37 lone 0 51 - 1 - HG2 LYS 115 - HA GLU 91 lone 0 61 - 1 - HD2 LYS 106 - HA GLU 37 lone 0 49 - 1 - HB3 LEU 70 - HA GLU 37 lone 0 57 - 1 - HG2 LYS 123 - HA GLU 37 lone 0 55 - 1 - HG12 ILE 116 - HA GLU 91 lone 0 49 - 1 - HB VAL 78 - HA GLU 91 lone 0 52 - 0 - HG12 ILE 3 - HA GLU 37 lone 0 49 - 0 - HG LEU 68 - HA GLU 91 lone 0 39 - 0 - HG LEU 68 - HA GLU 37 lone 0 31 - 0 - HG12 ILE 116 - HA GLU 37 lone 0 39 - 0 - Peak 6077 from cnoeabs.peaks (1.68, 4.07, 58.93 ppm; 3.16 A): 2 out of 57 assignments used, quality = 0.97: * HD2 LYS 96 + HA LYS 96 OK 82 100 - 82 - 5.3=21, 3.0/6076=11...(37) HD3 LYS 96 + HA LYS 96 OK 81 100 - 81 - 5.3=21, 3.0/6076=11...(37) HG3 ARG 95 - HA LYS 96 OK 43 99 - 44 - 7792/2.9=7, ~607=6...(16) HD3 LYS 40 - HA LYS 96 OK 29 100 - 29 - 3.6/8044=9, 3.6/8046=6...(6) HD2 LYS 40 - HA LYS 96 OK 29 100 - 29 - 3.6/8044=9, 3.6/8046=6...(6) HD3 LYS 73 - HA LYS 96 OK 18 100 - 18 - 6132=2, 6097/3.0=2, 1.8/6132=1 HD2 LYS 73 - HA LYS 96 OK 18 99 - 18 - 6132=2, 6097/3.0=2, 1.8/6132=1 HD3 LYS 20 - HA LYS 96 OK 17 98 - 17 - 6132=1, 6097/3.0=1, 1.8/6132=1 HD2 LYS 20 - HA LYS 96 OK 17 97 - 17 - 6132=1, 6097/3.0=1, 1.8/6132=1 HD2 LYS 43 - HA LYS 96 OK 16 100 - 16 - 6122=1, 6097/3.0=1, 1.8/6132=1 HG3 LYS 39 - HA LYS 96 OK 16 65 - 24 - ~7475=3, 1.8/6075=3...(10) HD3 LYS 43 - HA LYS 96 OK 15 100 - 15 - 6132=1, 6097/3.0=1, 1.8/6122=1 HG3 LYS 123 - HA LYS 96 lone 5 65 - 8 - 1.8/6076=2, 2.9/8046=1 HD2 LYS 16 - HA LYS 96 lone 5 99 - 5 - HD3 LYS 16 - HA LYS 96 lone 4 96 - 5 - HG3 ARG 95 - HA GLU 91 lone 3 67 - 5 - 11662/4.2=3, 4.7/8197=1 HD2 LYS 96 - HA GLU 91 lone 2 70 - 3 - HD3 LYS 96 - HA GLU 91 lone 2 70 - 3 - HD3 LYS 40 - HA GLU 37 lone 2 57 - 4 - 3.6/8044=2, 3.6/8046=1 HD2 LYS 40 - HA GLU 37 lone 2 57 - 4 - 3.6/8044=2, 3.6/8046=1 HD2 LYS 17 - HA LYS 96 lone 2 100 - 2 - HG12 ILE 71 - HA LYS 96 lone 1 84 - 2 - HB ILE 56 - HA LYS 96 lone 1 96 - 1 - HD3 LYS 40 - HA GLU 91 lone 1 70 - 1 - HD2 LYS 40 - HA GLU 91 lone 1 70 - 1 - HD2 LYS 96 - HA GLU 37 lone 1 57 - 1 - HD3 LYS 96 - HA GLU 37 lone 1 57 - 1 - HG3 ARG 95 - HA GLU 37 lone 1 55 - 1 - HB ILE 54 - HA GLU 91 lone 1 70 - 1 - HB ILE 54 - HA GLU 37 lone 1 57 - 1 - HG3 LYS 39 - HA GLU 37 lone 1 31 - 2 - HB ILE 54 - HA LYS 96 lone 1 100 - 1 - HD2 LYS 16 - HA GLU 91 lone 1 67 - 1 - HD3 LYS 73 - HA GLU 37 lone 1 56 - 1 - HD2 LYS 73 - HA GLU 37 lone 1 56 - 1 - HD3 LYS 20 - HA GLU 91 lone 1 66 - 1 - HD2 LYS 20 - HA GLU 91 lone 1 65 - 1 - HD3 LYS 16 - HA GLU 91 lone 1 63 - 1 - HB ILE 56 - HA GLU 91 lone 1 63 - 1 - HD2 LYS 43 - HA GLU 91 lone 1 70 - 1 - HD3 LYS 43 - HA GLU 91 lone 0 69 - 1 - HD2 LYS 16 - HA GLU 37 lone 0 55 - 1 - HD3 LYS 73 - HA GLU 91 lone 0 69 - 1 - HD2 LYS 73 - HA GLU 91 lone 0 68 - 1 - HD3 LYS 16 - HA GLU 37 lone 0 51 - 1 - HG3 LYS 123 - HA GLU 91 lone 0 39 - 1 - HD2 LYS 17 - HA GLU 91 lone 0 70 - 1 - HD2 LYS 43 - HA GLU 37 lone 0 57 - 1 - HD3 LYS 43 - HA GLU 37 lone 0 56 - 1 - HD2 LYS 17 - HA GLU 37 lone 0 57 - 1 - HD3 LYS 20 - HA GLU 37 lone 0 54 - 1 - HD2 LYS 20 - HA GLU 37 lone 0 52 - 1 - HG12 ILE 71 - HA GLU 91 lone 0 52 - 0 - HG12 ILE 71 - HA GLU 37 lone 0 42 - 1 - HG3 LYS 39 - HA GLU 91 lone 0 39 - 1 - HG3 LYS 123 - HA GLU 37 lone 0 31 - 1 - HB ILE 56 - HA GLU 37 lone 0 51 - 0 - Peak 6078 from cnoeabs.peaks (1.68, 4.07, 58.93 ppm; 3.16 A): 2 out of 60 assignments used, quality = 0.97: HD2 LYS 96 + HA LYS 96 OK 82 100 - 82 - 5.3=21, 3.0/6076=11...(37) * HD3 LYS 96 + HA LYS 96 OK 81 100 - 81 - 5.3=21, 3.0/6076=11...(37) HG3 ARG 95 - HA LYS 96 OK 42 97 - 44 - 7792/2.9=6, ~607=6...(16) HD2 LYS 44 - HA LYS 96 OK 33 65 - 51 - 2.9/6075=6, 2.9/6076=6...(22) HD3 LYS 40 - HA LYS 96 OK 29 100 - 29 - 3.6/8044=9, 3.6/8046=6...(6) HD2 LYS 40 - HA LYS 96 OK 29 100 - 29 - 3.6/8044=9, 3.6/8046=6...(6) HD3 LYS 73 - HA LYS 96 OK 18 100 - 18 - 6132=2, 6097/3.0=2, 1.8/6132=1 HD2 LYS 73 - HA LYS 96 OK 18 100 - 18 - 6132=2, 6097/3.0=2, 1.8/6132=1 HG3 LYS 39 - HA LYS 96 OK 18 73 - 25 - ~7475=3, 7476/2.9=3...(10) HD3 LYS 20 - HA LYS 96 OK 17 99 - 17 - 6132=1, 6097/3.0=1, 1.8/6132=1 HD2 LYS 20 - HA LYS 96 OK 17 99 - 17 - 6132=1, 6097/3.0=1, 1.8/6132=1 HD2 LYS 43 - HA LYS 96 OK 16 99 - 16 - 6122=1, 6097/3.0=1, 1.8/6132=1 HD3 LYS 43 - HA LYS 96 OK 15 100 - 15 - 6132=1, 6097/3.0=1, 1.8/6122=1 HG3 LYS 123 - HA LYS 96 lone 6 73 - 8 - 1.8/6076=2, 2.9/8046=1 HD2 LYS 16 - HA LYS 96 lone 5 100 - 5 - HD3 LYS 16 - HA LYS 96 lone 5 98 - 5 - HG3 ARG 95 - HA GLU 91 lone 3 65 - 5 - 11662/4.2=3, 4.7/8197=1 HD3 LYS 96 - HA GLU 91 lone 2 70 - 3 - HD2 LYS 96 - HA GLU 91 lone 2 70 - 3 - HD2 LYS 40 - HA GLU 37 lone 2 57 - 4 - 3.6/8044=2, 3.6/8046=1 HD3 LYS 40 - HA GLU 37 lone 2 57 - 4 - 3.6/8044=2, 3.6/8046=1 HD2 LYS 17 - HA LYS 96 lone 2 100 - 2 - HG12 ILE 71 - HA LYS 96 lone 2 90 - 2 - HB ILE 56 - HA LYS 96 lone 1 98 - 1 - HD2 LYS 40 - HA GLU 91 lone 1 70 - 1 - HG3 LYS 39 - HA GLU 37 lone 1 35 - 2 - HD3 LYS 40 - HA GLU 91 lone 1 70 - 1 - HD3 LYS 96 - HA GLU 37 lone 1 57 - 1 - HD2 LYS 44 - HA GLU 91 lone 1 39 - 2 - HD2 LYS 96 - HA GLU 37 lone 1 57 - 1 - HG3 ARG 95 - HA GLU 37 lone 1 52 - 1 - HB ILE 54 - HA GLU 91 lone 1 70 - 1 - HB ILE 54 - HA GLU 37 lone 1 57 - 1 - HB ILE 54 - HA LYS 96 lone 1 100 - 1 - HD2 LYS 16 - HA GLU 91 lone 1 69 - 1 - HD3 LYS 73 - HA GLU 37 lone 1 57 - 1 - HD2 LYS 73 - HA GLU 37 lone 1 57 - 1 - HD3 LYS 20 - HA GLU 91 lone 1 68 - 1 - HD2 LYS 20 - HA GLU 91 lone 1 67 - 1 - HD3 LYS 16 - HA GLU 91 lone 1 66 - 1 - HB ILE 56 - HA GLU 91 lone 1 66 - 1 - HD3 LYS 43 - HA GLU 91 lone 0 70 - 1 - HD2 LYS 43 - HA GLU 91 lone 0 68 - 1 - HD2 LYS 16 - HA GLU 37 lone 0 56 - 1 - HD3 LYS 73 - HA GLU 91 lone 0 70 - 1 - HD2 LYS 73 - HA GLU 91 lone 0 70 - 1 - HG3 LYS 123 - HA GLU 91 lone 0 44 - 1 - HD3 LYS 16 - HA GLU 37 lone 0 54 - 1 - HD3 LYS 43 - HA GLU 37 lone 0 57 - 1 - HD2 LYS 17 - HA GLU 91 lone 0 70 - 0 - HD2 LYS 43 - HA GLU 37 lone 0 56 - 1 - HD2 LYS 17 - HA GLU 37 lone 0 57 - 1 - HD3 LYS 20 - HA GLU 37 lone 0 56 - 1 - HD2 LYS 20 - HA GLU 37 lone 0 55 - 1 - HG12 ILE 71 - HA GLU 91 lone 0 57 - 0 - HG12 ILE 71 - HA GLU 37 lone 0 46 - 1 - HD2 LYS 44 - HA GLU 37 lone 0 31 - 1 - HG3 LYS 39 - HA GLU 91 lone 0 44 - 1 - HG3 LYS 123 - HA GLU 37 lone 0 35 - 1 - HB ILE 56 - HA GLU 37 lone 0 54 - 0 - Peak 6079 from cnoeabs.peaks (2.93, 4.07, 58.93 ppm; 4.07 A): 4 out of 27 assignments used, quality = 1.00: * HE2 LYS 96 + HA LYS 96 OK 84 100 - 84 - 6.3=27, 3.8/6076=15...(33) HE3 LYS 96 + HA LYS 96 OK 84 100 - 84 - 6.3=27, 3.8/6076=15...(33) HE2 LYS 44 + HA LYS 96 OK 63 100 - 64 - 3.7/6075=8, 3.7/6076=7...(37) HE3 LYS 44 + HA LYS 96 OK 63 100 - 64 - 3.7/6075=8, 3.7/6076=7...(37) HE3 LYS 94 - HA GLU 91 OK 13 52 - 24 - 4.8/8194=7, 4.8/8196=6...(6) HE3 LYS 94 - HA LYS 96 OK 12 84 - 14 - 4.8/8194=4, 4.8/8196=4...(4) HE2 LYS 65 - HA LYS 96 lone 8 81 - 9 - 6099/3.0=1 HE3 LYS 65 - HA LYS 96 lone 8 81 - 9 - 6099/3.0=1 HE3 LYS 96 - HA GLU 91 lone 5 70 - 8 - 10077/2.9=1, ~10077=1 HE2 LYS 96 - HA GLU 91 lone 5 70 - 8 - 10077/2.9=1, ~10077=1 HE3 LYS 44 - HA GLU 91 lone 4 70 - 6 - HE2 LYS 44 - HA GLU 91 lone 4 70 - 6 - HB2 ASP 86 - HA GLU 91 lone 2 69 - 2 - HB2 ASP 86 - HA GLU 37 lone 1 56 - 2 - HD3 ARG 30 - HA LYS 96 lone 1 100 - 1 - HD3 ARG 30 - HA GLU 91 lone 1 69 - 1 - HE3 LYS 94 - HA GLU 37 lone 1 42 - 2 - HE2 LYS 96 - HA GLU 37 lone 1 57 - 1 - HE3 LYS 96 - HA GLU 37 lone 1 57 - 1 - HE2 LYS 44 - HA GLU 37 lone 1 57 - 1 - HE3 LYS 44 - HA GLU 37 lone 1 57 - 1 - HB2 ASP 86 - HA LYS 96 lone 1 100 - 1 - HE2 LYS 65 - HA GLU 91 lone 1 49 - 1 - HE3 LYS 65 - HA GLU 91 lone 1 49 - 1 - HE2 LYS 65 - HA GLU 37 lone 0 39 - 1 - HE3 LYS 65 - HA GLU 37 lone 0 39 - 1 - HD3 ARG 30 - HA GLU 37 lone 0 56 - 1 - Peak 6080 from cnoeabs.peaks (2.93, 4.07, 58.93 ppm; 6.20 A): 4 out of 27 assignments used, quality = 1.00: HE2 LYS 96 + HA LYS 96 OK 100 100 - 100 - 6.3=96, 3.8/6076=24...(65) * HE3 LYS 96 + HA LYS 96 OK 100 100 - 100 - 6.3=96, 3.8/6076=24...(65) HE3 LYS 44 + HA LYS 96 OK 85 100 - 85 - 3.7/6075=13, 3.7/6076=12...(43) HE2 LYS 44 + HA LYS 96 OK 85 100 - 85 - 3.7/6075=13, 3.7/6076=12...(43) HE3 LYS 94 - HA LYS 96 OK 26 84 - 31 - 4.8/8194=8, 4.8/8196=8...(4) HE3 LYS 94 - HA GLU 91 OK 25 52 - 48 - 4.8/8194=15, 4.8/8196=13...(9) HE3 LYS 65 - HA LYS 96 OK 14 81 - 17 - 6099/3.0=2, ~6100=2...(5) HE2 LYS 65 - HA LYS 96 OK 14 81 - 17 - 6099/3.0=2, ~6100=2...(5) HE2 LYS 96 - HA GLU 91 OK 11 70 - 16 - 10077/2.9=3, 11469/3.0=3...(4) HE3 LYS 96 - HA GLU 91 OK 11 70 - 16 - 10077/2.9=3, 11469/3.0=3...(4) HE2 LYS 44 - HA GLU 91 poor 9 70 - 12 - 10077/2.9=2, ~10077=2...(4) HE3 LYS 44 - HA GLU 91 poor 9 70 - 12 - 10077/2.9=2, ~10077=2...(4) HB2 ASP 86 - HA GLU 91 lone 4 69 - 6 - 10077/2.9=2, 11469/3.0=1 HB2 ASP 86 - HA GLU 37 lone 3 56 - 6 - 10037/3.6=2 HD3 ARG 30 - HA LYS 96 lone 3 100 - 3 - HD3 ARG 30 - HA GLU 91 lone 3 69 - 4 - 10077/2.9=1 HE3 LYS 94 - HA GLU 37 lone 2 42 - 5 - HB2 ASP 86 - HA LYS 96 lone 2 100 - 2 - HE2 LYS 96 - HA GLU 37 lone 2 57 - 3 - HE3 LYS 96 - HA GLU 37 lone 2 57 - 3 - HE2 LYS 65 - HA GLU 91 lone 2 49 - 4 - HE3 LYS 65 - HA GLU 91 lone 2 49 - 4 - HE3 LYS 44 - HA GLU 37 lone 2 57 - 3 - HE2 LYS 44 - HA GLU 37 lone 2 57 - 3 - HE3 LYS 65 - HA GLU 37 lone 1 39 - 3 - HE2 LYS 65 - HA GLU 37 lone 1 39 - 3 - HD3 ARG 30 - HA GLU 37 lone 1 56 - 2 - Peak 6081 from cnoeabs.peaks (7.79, 1.90, 32.07 ppm; 3.30 A): 4 out of 30 assignments used, quality = 0.96: * H LYS 96 + HB2 LYS 96 OK 83 100 - 83 - 4.1=54, 6091/1.8=23...(21) H LYS 40 + HB2 LYS 96 OK 43 97 - 44 - 6091/1.8=13, 2040/3.0=12...(10) H LYS 96 + HB3 LYS 44 OK 40 97 - 41 - 1637=6, 1640/2.9=5...(16) H LYS 96 + HB2 LYS 44 OK 33 83 - 41 - 1637=5, 1640/2.9=5...(16) H LYS 40 - HB3 LYS 43 OK 20 92 - 22 - 3.0/8066=5, 1253/3.0=4...(8) H LYS 40 - HB2 LYS 43 OK 18 84 - 22 - 3.0/8066=5, 1253/3.0=4...(8) H LYS 40 - HB3 LYS 44 OK 16 93 - 17 - 2040/3.0=5, 6101/2.9=2...(4) H LYS 40 - HB2 LYS 44 OK 13 77 - 17 - 2040/3.0=5, 6101/2.9=2...(4) H LYS 96 - HB3 LYS 43 lone 9 97 - 9 - 1637=1 H LYS 96 - HB2 LYS 43 lone 8 90 - 9 - 1637=1 H LYS 96 - HB2 LYS 73 lone 7 93 - 7 - 605=1, 607/1.8=1 H LYS 96 - HB3 LYS 20 lone 6 74 - 9 - 607/1.8=2, 605=1 H LYS 96 - HB2 LYS 20 lone 6 74 - 9 - 607/1.8=2, 605=1 H LYS 96 - HB3 LYS 73 lone 6 90 - 7 - 605=1 H LYS 40 - HB2 LYS 20 lone 5 68 - 7 - H LYS 40 - HB3 LYS 20 lone 5 68 - 7 - H LYS 96 - HB3 LYS 123 lone 4 43 - 8 - 1640/2.9=1, 3668/1.8=1, 1637=1 H LYS 40 - HB2 LYS 73 lone 4 87 - 4 - H LYS 40 - HB3 LYS 73 lone 3 85 - 4 - H GLU 66 - HB2 LYS 96 lone 2 70 - 3 - H LYS 40 - HB3 LYS 123 lone 1 39 - 4 - H GLU 66 - HB3 LYS 123 lone 1 24 - 5 - 1909/3.7=2, 400/1.8=1 H GLU 66 - HB3 LYS 43 lone 1 64 - 2 - H GLU 66 - HB2 LYS 43 lone 1 57 - 2 - H GLU 66 - HB3 LYS 44 lone 1 64 - 1 - H GLU 66 - HB2 LYS 73 lone 1 59 - 1 - H GLU 66 - HB2 LYS 44 lone 1 51 - 1 - H GLU 66 - HB3 LYS 73 lone 1 57 - 1 - H GLU 66 - HB2 LYS 20 lone 1 44 - 1 - H GLU 66 - HB3 LYS 20 lone 1 44 - 1 - Peak 6082 from cnoeabs.peaks (4.07, 1.90, 32.07 ppm; 2.71 A): 3 out of 80 assignments used, quality = 1.00: * HA LYS 96 + HB2 LYS 96 OK 90 100 - 90 - 3.0=77, 6076/2.9=8...(18) HA LYS 44 + HB3 LYS 44 OK 85 96 - 88 - 3.0=75, 3902/1.8=7...(24) HA LYS 44 + HB2 LYS 44 OK 71 81 - 88 - 3.0=75, 3902/1.8=7...(24) HA LYS 96 - HB3 LYS 44 OK 33 97 - 34 - 6073=6, 6075/2.9=4...(14) HA LYS 44 - HB3 LYS 43 OK 30 95 - 31 - ~252=4, 3.0/254=4...(15) HA LYS 96 - HB2 LYS 44 OK 28 83 - 34 - 6073=5, 6075/2.9=4...(16) HA LYS 44 - HB2 LYS 43 OK 27 88 - 31 - ~252=4, 3.0/1285=4...(15) HA LYS 44 - HB2 LYS 96 OK 27 99 - 27 - 3905/2.9=4, 3903=3...(10) HA GLU 69 - HB2 LYS 73 poor 9 81 - 11 - 2127/4.0=4, 3.6/5133=1 HA GLU 69 - HB3 LYS 73 poor 8 78 - 11 - 2127/4.0=4, 3.6/5133=1 HA LYS 44 - HB2 LYS 73 lone 7 91 - 8 - 2127/4.0=2 HA LYS 44 - HB3 LYS 73 lone 7 89 - 8 - 2127/4.0=2 HA LYS 96 - HB3 LYS 20 lone 6 74 - 8 - 6073=1 HA LYS 96 - HB2 LYS 20 lone 6 74 - 8 - 6073=1 HA LYS 96 - HB2 LYS 73 lone 6 93 - 7 - 6073=1 HA LYS 96 - HB3 LYS 73 lone 6 90 - 7 - 6073=1 HA LYS 96 - HB3 LYS 43 lone 6 97 - 6 - HA LYS 96 - HB2 LYS 43 lone 5 90 - 6 - HA LYS 44 - HB3 LYS 123 lone 3 42 - 8 - 8046/1.8=1, 3904/2.9=1 HA LYS 96 - HB3 LYS 123 lone 3 43 - 7 - 8046/1.8=1, 6073=1 HA GLU 69 - HB3 LYS 44 lone 3 87 - 3 - HA3 GLY 125 - HB2 LYS 96 lone 3 100 - 3 - HA GLU 69 - HB2 LYS 44 lone 2 71 - 3 - HA2 GLY 125 - HB2 LYS 96 lone 2 84 - 3 - HA GLU 69 - HB3 LYS 123 lone 2 35 - 7 - 8046/1.8=1 HA3 GLY 125 - HB3 LYS 44 lone 2 97 - 2 - HA LYS 44 - HB2 LYS 20 lone 2 72 - 3 - HA LYS 44 - HB3 LYS 20 lone 2 72 - 3 - HA GLU 69 - HB3 LYS 43 lone 2 86 - 2 - HA GLU 69 - HB2 LYS 43 lone 2 78 - 3 - HA GLU 91 - HB2 LYS 96 lone 2 96 - 2 - HA3 GLY 125 - HB2 LYS 44 lone 2 82 - 2 - HA2 GLY 125 - HB3 LYS 44 lone 2 78 - 2 - HA3 GLY 125 - HB2 LYS 73 lone 1 93 - 2 - HA3 GLY 125 - HB3 LYS 123 lone 1 43 - 3 - 3.6/10639=2, 4.6/10621=1 HA GLU 91 - HB3 LYS 44 lone 1 91 - 2 - HA GLU 69 - HB2 LYS 96 lone 1 92 - 1 - HA3 GLY 125 - HB3 LYS 73 lone 1 90 - 2 - HA2 GLY 125 - HB2 LYS 44 lone 1 63 - 2 - HA GLU 37 - HB2 LYS 96 lone 1 98 - 1 - HA3 GLY 125 - HB3 LYS 43 lone 1 96 - 1 - HA GLU 91 - HB2 LYS 44 lone 1 75 - 2 - HA2 GLY 125 - HB2 LYS 73 lone 1 73 - 2 - HA3 GLY 125 - HB2 LYS 43 lone 1 90 - 1 - HA2 GLY 125 - HB3 LYS 73 lone 1 70 - 2 - HA GLU 37 - HB2 LYS 73 lone 1 89 - 1 - HA2 GLY 125 - HB3 LYS 123 lone 1 31 - 3 - 3.6/10639=2, 4.6/10621=1 HA GLU 37 - HB3 LYS 73 lone 1 86 - 1 - HA2 GLY 125 - HB3 LYS 43 lone 1 78 - 1 - HA SER 35 - HB2 LYS 96 lone 1 61 - 1 - HA2 GLY 125 - HB2 LYS 43 lone 1 70 - 1 - HA GLU 37 - HB3 LYS 44 lone 1 94 - 1 - HA GLU 37 - HB2 LYS 44 lone 1 78 - 1 - HA3 GLY 125 - HB2 LYS 20 lone 1 74 - 1 - HA3 GLY 125 - HB3 LYS 20 lone 1 74 - 1 - HA GLU 69 - HB2 LYS 20 lone 1 63 - 1 - HA GLU 69 - HB3 LYS 20 lone 1 63 - 1 - HA GLU 91 - HB3 LYS 43 lone 0 90 - 1 - HA2 GLY 125 - HB2 LYS 20 lone 0 55 - 1 - HA2 GLY 125 - HB3 LYS 20 lone 0 55 - 1 - HA GLU 91 - HB2 LYS 43 lone 0 83 - 1 - HA GLU 91 - HB3 LYS 123 lone 0 38 - 1 - HA GLU 91 - HB2 LYS 73 lone 0 86 - 0 - HA GLU 91 - HB3 LYS 73 lone 0 83 - 0 - HA GLU 37 - HB3 LYS 43 lone 0 93 - 0 - HA GLU 37 - HB2 LYS 43 lone 0 86 - 0 - HA SER 35 - HB2 LYS 73 lone 0 52 - 1 - HA GLU 91 - HB2 LYS 20 lone 0 67 - 0 - HA GLU 91 - HB3 LYS 20 lone 0 67 - 0 - HA SER 35 - HB3 LYS 73 lone 0 50 - 1 - HA SER 35 - HB3 LYS 44 lone 0 57 - 0 - HA GLU 37 - HB2 LYS 20 lone 0 70 - 0 - HA GLU 37 - HB3 LYS 20 lone 0 70 - 0 - HA SER 35 - HB2 LYS 44 lone 0 44 - 0 - HA SER 35 - HB3 LYS 43 lone 0 56 - 0 - HA GLU 37 - HB3 LYS 123 lone 0 40 - 0 - HA SER 35 - HB2 LYS 43 lone 0 50 - 0 - HA SER 35 - HB2 LYS 20 lone 0 38 - 0 - HA SER 35 - HB3 LYS 20 lone 0 38 - 0 - HA SER 35 - HB3 LYS 123 lone 0 21 - 0 - Peak 6083 from cnoeabs.peaks (1.90, 1.90, 32.07 ppm; diagonal): 9 out of 10 assignments used, quality = 1.00: * HB2 LYS 96 + HB2 LYS 96 OK 100 100 - 100 HB3 LYS 43 + HB3 LYS 43 OK 97 97 - 100 HB3 LYS 44 + HB3 LYS 44 OK 95 95 - 100 HB2 LYS 73 + HB2 LYS 73 OK 89 89 - 100 HB2 LYS 43 + HB2 LYS 43 OK 86 86 - 100 HB3 LYS 73 + HB3 LYS 73 OK 85 85 - 100 HB2 LYS 44 + HB2 LYS 44 OK 71 71 - 100 HB2 LYS 20 + HB2 LYS 20 OK 60 60 - 100 HB3 LYS 20 + HB3 LYS 20 OK 60 60 - 100 HB3 LYS 123 - HB3 LYS 123 OK 31 31 - 100 Peak 6084 from cnoeabs.peaks (1.97, 1.90, 32.07 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 96 + HB2 LYS 96 OK 100 100 - 100 - 1.8=100 Peak 6085 from cnoeabs.peaks (1.44, 1.90, 32.07 ppm; 2.85 A): 3 out of 160 assignments used, quality = 1.00: * HG2 LYS 96 + HB2 LYS 96 OK 98 100 - 98 - 2.9=96, 6075/3.0=8...(25) HG3 LYS 44 + HB3 LYS 44 OK 93 97 - 96 - 2.9=91, 3905/3.0=8...(33) HG3 LYS 44 + HB2 LYS 44 OK 79 82 - 96 - 2.9=91, 3905/3.0=8...(35) HG3 LYS 44 - HB2 LYS 96 OK 36 100 - 36 - 6075/3.0=5, 1639/4.1=3...(12) HG2 LYS 96 - HB3 LYS 44 OK 35 97 - 36 - 3905/3.0=5, 1287/4.0=4...(12) HG2 LYS 96 - HB2 LYS 44 OK 30 83 - 36 - 3905/3.0=5, 1287/4.0=4...(11) HG3 LYS 44 - HB3 LYS 43 OK 13 96 - 13 - 1287/4.7=5, 4.2/3903=1 HG3 LYS 44 - HB2 LYS 43 OK 12 90 - 13 - 1287/4.7=5, 4.2/3903=1 HG2 LYS 96 - HB3 LYS 43 OK 10 97 - 11 - 3940/4.7=3 HG2 LYS 96 - HB2 LYS 43 poor 10 90 - 11 - 3940/4.7=3 HG2 LYS 39 - HB2 LYS 96 poor 9 70 - 13 - 7475/4.1=2, 6075/3.0=2...(4) HG2 LYS 96 - HB2 LYS 73 lone 7 93 - 7 - HG2 LYS 96 - HB2 LYS 20 lone 7 74 - 9 - HG2 LYS 96 - HB3 LYS 20 lone 7 74 - 9 - HG2 LYS 96 - HB3 LYS 73 lone 7 90 - 7 - HG2 LYS 39 - HB3 LYS 44 lone 5 64 - 8 - HG2 LYS 39 - HB2 LYS 44 lone 4 51 - 8 - HG3 LYS 44 - HB2 LYS 73 lone 3 93 - 4 - HG3 LYS 44 - HB3 LYS 123 lone 3 43 - 8 - HG3 LYS 44 - HB3 LYS 73 lone 3 90 - 4 - HG3 LYS 17 - HB2 LYS 20 lone 3 60 - 5 - 3.9/7998=3 HG3 LYS 17 - HB3 LYS 20 lone 3 60 - 5 - 3.9/7998=3 HB3 LEU 4 - HB2 LYS 20 lone 2 73 - 3 - HB3 LEU 4 - HB3 LYS 20 lone 2 73 - 3 - HB2 LEU 4 - HB2 LYS 20 lone 2 73 - 3 - HB2 LEU 4 - HB3 LYS 20 lone 2 73 - 3 - HG LEU 4 - HB3 LYS 20 lone 2 60 - 4 - HG LEU 4 - HB2 LYS 20 lone 2 60 - 4 - HG3 LYS 44 - HB2 LYS 20 lone 2 74 - 2 - HG3 LYS 44 - HB3 LYS 20 lone 2 74 - 2 - HG2 LYS 96 - HB3 LYS 123 lone 2 43 - 4 - HG2 LYS 39 - HB3 LYS 43 lone 2 64 - 3 - HG2 LYS 39 - HB2 LYS 43 lone 1 57 - 3 - HB3 LEU 63 - HB3 LYS 44 lone 1 75 - 2 - HG LEU 80 - HB2 LYS 96 lone 1 100 - 1 - HG12 ILE 56 - HB2 LYS 96 lone 1 84 - 1 - HB3 LEU 4 - HB2 LYS 96 lone 1 100 - 1 - HB2 LEU 4 - HB2 LYS 96 lone 1 100 - 1 - HG3 LYS 17 - HB2 LYS 96 lone 1 90 - 1 - HB3 LEU 63 - HB2 LYS 44 lone 1 60 - 2 - HB3 LEU 63 - HB2 LYS 20 lone 1 53 - 2 - 4723/4.6=1 HB3 LEU 63 - HB3 LYS 20 lone 1 53 - 2 - 4723/4.6=1 HB3 LEU 63 - HB2 LYS 96 lone 1 81 - 1 - HG2 LYS 39 - HB2 LYS 73 lone 1 59 - 2 - HG3 LYS 17 - HB3 LYS 44 lone 1 84 - 1 - HG LEU 4 - HB2 LYS 96 lone 1 90 - 1 - HG2 LYS 39 - HB3 LYS 73 lone 1 57 - 2 - HG LEU 80 - HB2 LYS 73 lone 1 93 - 1 - HG LEU 80 - HB3 LYS 73 lone 1 90 - 1 - HG3 LYS 17 - HB3 LYS 43 lone 1 84 - 1 - HG12 ILE 56 - HB2 LYS 20 lone 1 55 - 2 - HG12 ILE 56 - HB3 LYS 20 lone 1 55 - 2 - HG3 LYS 17 - HB2 LYS 43 lone 1 76 - 1 - HG2 LYS 39 - HB3 LYS 123 lone 1 24 - 4 - HB2 LEU 4 - HB3 LYS 44 lone 1 97 - 1 - HB3 LEU 4 - HB3 LYS 44 lone 1 97 - 1 - HG LEU 4 - HB2 LYS 73 lone 1 79 - 1 - HB2 LEU 4 - HB2 LYS 73 lone 1 92 - 1 - HB3 LEU 4 - HB2 LYS 73 lone 1 92 - 1 - HG3 LYS 17 - HB2 LYS 44 lone 1 68 - 1 - HG3 LYS 49 - HB3 LYS 123 lone 1 22 - 3 - HG2 LYS 49 - HB3 LYS 123 lone 1 22 - 3 - HG3 LYS 49 - HB2 LYS 96 lone 1 65 - 1 - HG2 LYS 49 - HB2 LYS 96 lone 1 65 - 1 - HG3 LYS 17 - HB3 LYS 123 lone 1 34 - 2 - HB2 LEU 4 - HB2 LYS 44 lone 1 82 - 1 - HB3 LEU 4 - HB2 LYS 44 lone 1 82 - 1 - HB3 LEU 6 - HB3 LYS 20 lone 1 41 - 2 - HB3 LEU 6 - HB2 LYS 20 lone 1 41 - 2 - HG3 LYS 17 - HB2 LYS 73 lone 1 79 - 1 - HB3 LEU 6 - HB2 LYS 96 lone 1 65 - 1 - HB3 LEU 6 - HB3 LYS 43 lone 1 60 - 1 - HG12 ILE 56 - HB3 LYS 44 lone 1 78 - 1 - HG3 LYS 17 - HB3 LYS 73 lone 1 76 - 1 - HG2 LYS 39 - HB3 LYS 20 lone 1 44 - 1 - HG2 LYS 39 - HB2 LYS 20 lone 1 44 - 1 - HG3 ARG 30 - HB2 LYS 96 lone 1 87 - 1 - HB2 LEU 4 - HB3 LYS 73 lone 1 89 - 1 - HB3 LEU 4 - HB3 LYS 73 lone 1 89 - 1 - HG LEU 4 - HB3 LYS 73 lone 1 76 - 1 - HG LEU 80 - HB3 LYS 44 lone 1 97 - 1 - HG3 ARG 30 - HB3 LYS 44 lone 1 82 - 1 - HB3 LEU 6 - HB2 LYS 43 lone 1 53 - 1 - HG2 LYS 49 - HB3 LYS 44 lone 1 61 - 1 - HG3 LYS 49 - HB3 LYS 44 lone 1 61 - 1 - HG LEU 80 - HB3 LYS 20 lone 0 74 - 1 - HG LEU 80 - HB2 LYS 20 lone 0 74 - 1 - HG12 ILE 56 - HB2 LYS 44 lone 0 63 - 1 - HG LEU 4 - HB3 LYS 44 lone 0 84 - 1 - HG3 LYS 49 - HB3 LYS 20 lone 0 41 - 1 - HG3 LYS 49 - HB2 LYS 20 lone 0 41 - 1 - HG2 LYS 49 - HB3 LYS 20 lone 0 41 - 1 - HG2 LYS 49 - HB2 LYS 20 lone 0 41 - 1 - HB3 LEU 63 - HB3 LYS 43 lone 0 74 - 1 - HG LEU 80 - HB2 LYS 44 lone 0 83 - 1 - HG12 ILE 56 - HB3 LYS 43 lone 0 78 - 1 - HG3 LYS 49 - HB2 LYS 73 lone 0 56 - 1 - HG2 LYS 49 - HB2 LYS 73 lone 0 56 - 1 - HB3 LEU 4 - HB3 LYS 43 lone 0 96 - 0 - HB2 LEU 4 - HB3 LYS 43 lone 0 96 - 0 - HB3 LYS 61 - HB3 LYS 44 lone 0 91 - 0 - HG LEU 80 - HB2 LYS 43 lone 0 90 - 0 - HG LEU 80 - HB3 LYS 43 lone 0 97 - 0 - HG3 ARG 30 - HB2 LYS 44 lone 0 66 - 1 - HB3 LEU 6 - HB2 LYS 73 lone 0 56 - 1 - HG2 LYS 49 - HB3 LYS 43 lone 0 60 - 1 - HG3 LYS 49 - HB3 LYS 43 lone 0 60 - 1 - HB3 LYS 61 - HB2 LYS 96 lone 0 96 - 0 - HG2 LYS 49 - HB3 LYS 73 lone 0 53 - 1 - HG3 LYS 49 - HB3 LYS 73 lone 0 53 - 1 - HG12 ILE 56 - HB2 LYS 43 lone 0 70 - 1 - HG12 ILE 7 - HB2 LYS 96 lone 0 61 - 1 - HB3 LEU 63 - HB2 LYS 43 lone 0 67 - 1 - HB3 LEU 6 - HB3 LYS 73 lone 0 53 - 1 - HB3 LEU 4 - HB2 LYS 43 lone 0 89 - 0 - HB2 LEU 4 - HB2 LYS 43 lone 0 89 - 0 - HG LEU 4 - HB2 LYS 44 lone 0 68 - 1 - HG2 LYS 49 - HB2 LYS 44 lone 0 47 - 1 - HG3 LYS 49 - HB2 LYS 44 lone 0 47 - 1 - HG LEU 80 - HB3 LYS 123 lone 0 43 - 1 - HG2 LYS 49 - HB2 LYS 43 lone 0 53 - 1 - HG3 LYS 49 - HB2 LYS 43 lone 0 53 - 1 - HB3 LYS 61 - HB2 LYS 44 lone 0 75 - 0 - HB3 LEU 63 - HB2 LYS 73 lone 0 70 - 0 - HG LEU 4 - HB3 LYS 43 lone 0 84 - 0 - HB3 LYS 61 - HB3 LYS 43 lone 0 90 - 0 - HG3 ARG 30 - HB3 LYS 43 lone 0 81 - 0 - HB3 LEU 63 - HB3 LYS 73 lone 0 67 - 0 - HG12 ILE 56 - HB2 LYS 73 lone 0 73 - 0 - HG LEU 4 - HB2 LYS 43 lone 0 76 - 0 - HB3 LYS 61 - HB2 LYS 43 lone 0 83 - 0 - HG3 ARG 30 - HB2 LYS 43 lone 0 73 - 0 - HG12 ILE 56 - HB3 LYS 73 lone 0 70 - 0 - HB3 LEU 6 - HB3 LYS 44 lone 0 61 - 0 - HG12 ILE 7 - HB3 LYS 43 lone 0 56 - 0 - HB3 LYS 61 - HB3 LYS 20 lone 0 67 - 0 - HB3 LYS 61 - HB2 LYS 20 lone 0 67 - 0 - HG3 ARG 30 - HB2 LYS 73 lone 0 76 - 0 - HG3 ARG 30 - HB3 LYS 73 lone 0 73 - 0 - HB3 LYS 61 - HB2 LYS 73 lone 0 86 - 0 - HG12 ILE 7 - HB2 LYS 73 lone 0 52 - 0 - HB3 LYS 61 - HB3 LYS 73 lone 0 83 - 0 - HG12 ILE 7 - HB3 LYS 44 lone 0 57 - 0 - HG12 ILE 7 - HB3 LYS 73 lone 0 50 - 0 - HG12 ILE 7 - HB2 LYS 43 lone 0 50 - 0 - HB3 LEU 6 - HB2 LYS 44 lone 0 47 - 0 - HG3 ARG 30 - HB2 LYS 20 lone 0 58 - 0 - HG3 ARG 30 - HB3 LYS 20 lone 0 58 - 0 - HG12 ILE 7 - HB3 LYS 20 lone 0 38 - 0 - HG12 ILE 7 - HB2 LYS 20 lone 0 38 - 0 - HB3 LEU 63 - HB3 LYS 123 lone 0 29 - 1 - HG12 ILE 7 - HB2 LYS 44 lone 0 44 - 0 - HB2 LEU 4 - HB3 LYS 123 lone 0 42 - 0 - HB3 LEU 4 - HB3 LYS 123 lone 0 42 - 0 - HG LEU 4 - HB3 LYS 123 lone 0 34 - 0 - HG12 ILE 56 - HB3 LYS 123 lone 0 31 - 0 - HB3 LYS 61 - HB3 LYS 123 lone 0 38 - 0 - HB3 LEU 6 - HB3 LYS 123 lone 0 22 - 0 - HG3 ARG 30 - HB3 LYS 123 lone 0 32 - 0 - HG12 ILE 7 - HB3 LYS 123 lone 0 21 - 0 - Peak 6086 from cnoeabs.peaks (1.57, 1.90, 32.07 ppm; 2.82 A): 3 out of 120 assignments used, quality = 1.00: * HG3 LYS 96 + HB2 LYS 96 OK 97 100 - 97 - 2.9=93, 6076/3.0=9...(29) HG2 LYS 44 + HB3 LYS 44 OK 77 82 - 95 - 2.9=89, 1286/4.0=6...(32) HG2 LYS 44 + HB2 LYS 44 OK 62 66 - 95 - 2.9=89, 1286/4.0=6...(32) HG2 LYS 123 - HB3 LYS 123 OK 40 41 - 96 - 2.9=89, 7104/3.8=13...(37) HG3 LYS 96 - HB3 LYS 44 OK 33 97 - 34 - 6112/3.0=3, 1286/4.0=3...(13) HG2 LYS 44 - HB2 LYS 96 OK 30 87 - 35 - 6076/3.0=4, 1640/4.1=3...(10) HG3 LYS 96 - HB2 LYS 44 OK 28 83 - 34 - 6112/3.0=3, 1286/4.0=3...(13) HB3 LEU 70 - HB2 LYS 73 OK 22 93 - 23 - 3.0/8160=5, ~11081=5...(9) HB3 LEU 70 - HB3 LYS 73 OK 21 90 - 23 - 3.0/8160=5, ~11081=5...(9) HG2 LYS 123 - HB3 LYS 44 OK 15 95 - 16 - 2.9/7120=2, 2.9/7130=2...(5) HG2 LYS 123 - HB2 LYS 44 OK 13 80 - 16 - 2.9/7120=2, 2.9/7130=2...(4) HG2 LYS 44 - HB3 LYS 43 OK 10 81 - 13 - 1286/4.7=5, 4.2/3903=1 HG3 LYS 96 - HB3 LYS 43 lone 10 97 - 10 - 1286/4.7=2 HG2 LYS 44 - HB2 LYS 43 poor 9 73 - 13 - 1286/4.7=5, 4.2/3903=1 HG3 LYS 96 - HB2 LYS 43 poor 9 90 - 10 - 1286/4.7=2 HG3 LYS 96 - HB3 LYS 20 lone 7 74 - 10 - HG3 LYS 96 - HB2 LYS 20 lone 7 74 - 10 - HG3 LYS 96 - HB2 LYS 73 lone 7 93 - 7 - HG3 LYS 96 - HB3 LYS 73 lone 7 90 - 7 - HG2 LYS 123 - HB2 LYS 96 lone 6 99 - 6 - HB VAL 78 - HB2 LYS 96 lone 3 84 - 4 - 2.1/11291=1 HG2 LYS 123 - HB3 LYS 43 lone 3 94 - 3 - HG2 LYS 44 - HB3 LYS 123 lone 3 32 - 9 - 1812/3.7=1 HG2 LYS 44 - HB2 LYS 73 lone 3 76 - 3 - HG2 LYS 123 - HB2 LYS 43 lone 3 87 - 3 - HG2 LYS 44 - HB3 LYS 73 lone 3 73 - 3 - HB3 LEU 70 - HB2 LYS 96 lone 2 100 - 2 - HD3 LYS 106 - HB2 LYS 96 lone 2 96 - 2 - HD2 LYS 106 - HB2 LYS 96 lone 2 94 - 2 - HB3 LEU 70 - HB3 LYS 44 lone 2 97 - 2 - HG3 LYS 96 - HB3 LYS 123 lone 2 43 - 4 - HG12 ILE 3 - HB3 LYS 123 lone 2 37 - 5 - 2.1/10654=2, ~10654=1, ~9015=1 HG2 LYS 115 - HB2 LYS 96 lone 2 94 - 2 - HB3 LEU 70 - HB2 LYS 20 lone 2 74 - 2 - HB3 LEU 70 - HB3 LYS 20 lone 2 74 - 2 - HG LEU 68 - HB2 LYS 73 lone 2 56 - 3 - HB3 LEU 70 - HB3 LYS 123 lone 2 43 - 4 - HB3 LEU 70 - HB2 LYS 44 lone 1 83 - 2 - HG LEU 68 - HB3 LYS 73 lone 1 53 - 3 - HG2 LYS 44 - HB3 LYS 20 lone 1 58 - 2 - HG2 LYS 44 - HB2 LYS 20 lone 1 58 - 2 - HG2 LYS 115 - HB3 LYS 123 lone 1 37 - 3 - HG2 LYS 123 - HB2 LYS 73 lone 1 90 - 1 - HG LEU 68 - HB3 LYS 43 lone 1 60 - 2 - HB3 LEU 70 - HB3 LYS 43 lone 1 97 - 1 - HB3 LEU 70 - HB2 LYS 43 lone 1 90 - 1 - HB VAL 78 - HB3 LYS 44 lone 1 78 - 1 - HG LEU 68 - HB3 LYS 44 lone 1 61 - 2 - HG LEU 68 - HB2 LYS 43 lone 1 53 - 2 - HG2 LYS 123 - HB3 LYS 73 lone 1 88 - 1 - HD3 LYS 106 - HB3 LYS 20 lone 1 67 - 1 - HD3 LYS 106 - HB2 LYS 20 lone 1 67 - 1 - HD2 LYS 106 - HB2 LYS 20 lone 1 65 - 1 - HD2 LYS 106 - HB3 LYS 20 lone 1 65 - 1 - HB VAL 78 - HB2 LYS 44 lone 1 63 - 1 - HG LEU 68 - HB3 LYS 20 lone 1 41 - 2 - HG LEU 68 - HB2 LYS 20 lone 1 41 - 2 - HG LEU 68 - HB2 LYS 44 lone 1 47 - 2 - HG LEU 55 - HB2 LYS 96 lone 1 99 - 1 - HG12 ILE 3 - HB3 LYS 43 lone 1 88 - 1 - HG12 ILE 3 - HB2 LYS 96 lone 1 94 - 1 - HG LEU 68 - HB2 LYS 96 lone 1 65 - 1 - HG12 ILE 116 - HB2 LYS 96 lone 1 81 - 1 - HD3 LYS 106 - HB3 LYS 44 lone 1 91 - 1 - HD3 LYS 106 - HB3 LYS 43 lone 1 90 - 1 - HD2 LYS 106 - HB3 LYS 44 lone 1 89 - 1 - HD2 LYS 106 - HB3 LYS 43 lone 1 88 - 1 - HG12 ILE 116 - HB3 LYS 44 lone 1 75 - 1 - HG12 ILE 3 - HB2 LYS 43 lone 1 81 - 1 - HD3 LYS 106 - HB2 LYS 43 lone 1 83 - 1 - HD2 LYS 106 - HB2 LYS 43 lone 1 81 - 1 - HD3 LYS 106 - HB2 LYS 44 lone 1 75 - 1 - HG2 LYS 123 - HB3 LYS 20 lone 0 71 - 1 - HG2 LYS 123 - HB2 LYS 20 lone 0 71 - 1 - HD2 LYS 106 - HB2 LYS 44 lone 0 73 - 1 - HG12 ILE 116 - HB2 LYS 44 lone 0 60 - 1 - HB VAL 78 - HB2 LYS 73 lone 0 73 - 1 - HB VAL 78 - HB3 LYS 43 lone 0 78 - 1 - HG LEU 68 - HB3 LYS 123 lone 0 22 - 2 - HB VAL 78 - HB3 LYS 73 lone 0 70 - 1 - HG2 LYS 115 - HB3 LYS 44 lone 0 89 - 0 - HG12 ILE 3 - HB3 LYS 44 lone 0 89 - 0 - HB VAL 78 - HB2 LYS 43 lone 0 70 - 1 - HG2 LYS 115 - HB2 LYS 73 lone 0 84 - 0 - HG LEU 55 - HB3 LYS 44 lone 0 96 - 0 - HG2 LYS 115 - HB3 LYS 73 lone 0 81 - 0 - HG12 ILE 116 - HB3 LYS 43 lone 0 74 - 0 - HG LEU 55 - HB2 LYS 20 lone 0 72 - 0 - HG LEU 55 - HB3 LYS 20 lone 0 72 - 0 - HG2 LYS 115 - HB3 LYS 43 lone 0 88 - 0 - HG12 ILE 3 - HB2 LYS 44 lone 0 73 - 0 - HG LEU 55 - HB2 LYS 44 lone 0 81 - 0 - HG12 ILE 116 - HB2 LYS 43 lone 0 67 - 0 - HG LEU 55 - HB2 LYS 73 lone 0 91 - 0 - HG2 LYS 115 - HB2 LYS 44 lone 0 73 - 0 - HD3 LYS 106 - HB2 LYS 73 lone 0 86 - 0 - HG2 LYS 115 - HB2 LYS 43 lone 0 81 - 0 - HG LEU 55 - HB3 LYS 73 lone 0 89 - 0 - HG12 ILE 116 - HB2 LYS 73 lone 0 70 - 0 - HG LEU 55 - HB3 LYS 43 lone 0 95 - 0 - HD2 LYS 106 - HB2 LYS 73 lone 0 84 - 0 - HG2 LYS 115 - HB2 LYS 20 lone 0 65 - 0 - HG2 LYS 115 - HB3 LYS 20 lone 0 65 - 0 - HD3 LYS 106 - HB3 LYS 73 lone 0 83 - 0 - HB VAL 78 - HB3 LYS 20 lone 0 55 - 1 - HB VAL 78 - HB2 LYS 20 lone 0 55 - 1 - HD2 LYS 106 - HB3 LYS 73 lone 0 81 - 0 - HG12 ILE 116 - HB3 LYS 73 lone 0 67 - 0 - HG LEU 55 - HB2 LYS 43 lone 0 88 - 0 - HG12 ILE 3 - HB3 LYS 20 lone 0 65 - 0 - HG12 ILE 3 - HB2 LYS 20 lone 0 65 - 0 - HG12 ILE 3 - HB2 LYS 73 lone 0 84 - 0 - HG12 ILE 3 - HB3 LYS 73 lone 0 81 - 0 - HG LEU 55 - HB3 LYS 123 lone 0 42 - 0 - HD3 LYS 106 - HB3 LYS 123 lone 0 38 - 0 - HD2 LYS 106 - HB3 LYS 123 lone 0 37 - 0 - HG12 ILE 116 - HB3 LYS 20 lone 0 53 - 0 - HG12 ILE 116 - HB2 LYS 20 lone 0 53 - 0 - HG12 ILE 116 - HB3 LYS 123 lone 0 29 - 0 - HB VAL 78 - HB3 LYS 123 lone 0 31 - 0 - Peak 6087 from cnoeabs.peaks (1.68, 1.90, 32.07 ppm; 2.60 A): 14 out of 190 assignments used, quality = 1.00: * HD2 LYS 96 + HB2 LYS 96 OK 79 100 - 79 - 3.4=43, 6097/1.8=8...(36) HD3 LYS 96 + HB2 LYS 96 OK 79 100 - 79 - 3.4=43, 6097/1.8=8...(36) HD2 LYS 43 + HB3 LYS 43 OK 65 96 - 67 - 3.8=31, 3846/3.0=6...(25) HD3 LYS 73 + HB2 LYS 73 OK 64 92 - 70 - 3.8=31, 5170/2.9=6...(35) HD3 LYS 43 + HB3 LYS 43 OK 64 96 - 67 - 3.8=31, 3846/3.0=6...(25) HD2 LYS 73 + HB2 LYS 73 OK 64 91 - 70 - 3.8=31, 5170/2.9=6...(35) HD3 LYS 73 + HB3 LYS 73 OK 63 89 - 70 - 3.8=31, 5170/2.9=6...(35) HD2 LYS 73 + HB3 LYS 73 OK 62 89 - 70 - 3.8=31, 5170/2.9=6...(35) HD2 LYS 43 + HB2 LYS 43 OK 61 90 - 67 - 3.8=31, 3846/3.0=6...(25) HD3 LYS 43 + HB2 LYS 43 OK 60 89 - 67 - 3.8=31, 3846/3.0=6...(25) HD3 LYS 20 + HB2 LYS 20 OK 54 70 - 77 - 3.4=43, 3079/2.9=5...(35) HD3 LYS 20 + HB3 LYS 20 OK 54 70 - 77 - 3.4=43, 3079/2.9=5...(35) HD2 LYS 20 + HB3 LYS 20 OK 53 68 - 77 - 3.4=43, 3079/2.9=5...(35) HD2 LYS 20 + HB2 LYS 20 OK 53 68 - 77 - 3.4=43, 3079/2.9=5...(35) HD2 LYS 96 - HB3 LYS 44 OK 34 97 - 36 - 6107/2.9=2, 6126/2.9=1...(6) HD3 LYS 96 - HB3 LYS 44 OK 34 97 - 35 - 6107/2.9=2, 6126/2.9=1...(6) HD2 LYS 96 - HB2 LYS 44 OK 29 83 - 36 - 6107/2.9=2, 6126/2.9=1...(5) HD3 LYS 96 - HB2 LYS 44 OK 29 82 - 35 - 6107/2.9=2, 6126/2.9=1...(5) HG3 ARG 95 - HB2 LYS 96 OK 22 99 - 23 - 6049=4, 7792/4.1=3...(7) HD3 LYS 20 - HB3 LYS 43 OK 21 93 - 23 - 3816/3.0=2, 3846/3.0=1...(5) HD2 LYS 20 - HB3 LYS 43 OK 21 92 - 23 - 3816/3.0=2, 3847/3.0=1...(5) HD2 LYS 43 - HB2 LYS 20 OK 20 74 - 28 - 3069/2.9=2, 3079/2.9=2...(4) HD2 LYS 43 - HB3 LYS 20 OK 20 74 - 28 - 3069/2.9=2, 3079/2.9=2...(4) HD3 LYS 20 - HB2 LYS 43 OK 20 86 - 24 - 3816/3.0=2, 3846/3.0=1...(5) HD3 LYS 73 - HB3 LYS 20 OK 20 73 - 28 - 3079/2.9=2, 3069/2.9=1 HD3 LYS 73 - HB2 LYS 20 OK 20 73 - 28 - 3079/2.9=2, 3069/2.9=1 HD2 LYS 20 - HB2 LYS 43 OK 20 84 - 24 - 3816/3.0=2, 3847/3.0=1...(5) HD3 LYS 43 - HB3 LYS 20 OK 20 73 - 27 - 3069/2.9=2, 3079/2.9=2...(4) HD3 LYS 43 - HB2 LYS 20 OK 20 73 - 27 - 3069/2.9=2, 3079/2.9=2...(4) HD2 LYS 73 - HB2 LYS 20 OK 20 72 - 28 - 3079/2.9=2, 3069/2.9=1 HD2 LYS 73 - HB3 LYS 20 OK 20 72 - 28 - 3079/2.9=2, 3069/2.9=1 HG3 LYS 123 - HB3 LYS 123 OK 19 22 - 86 - 2.9=69, 2.9/7130=7...(27) HD2 LYS 43 - HB2 LYS 73 OK 18 93 - 20 - 5170/2.9=1, 5187/2.9=1 HD3 LYS 20 - HB2 LYS 73 OK 18 89 - 20 - 5170/2.9=2, 5187/2.9=1 HD3 LYS 43 - HB2 LYS 73 OK 18 92 - 20 - 5170/2.9=1, 5187/2.9=1 HD2 LYS 43 - HB3 LYS 73 OK 18 90 - 20 - 5170/2.9=1, 5187/2.9=1 HD2 LYS 20 - HB2 LYS 73 OK 18 87 - 20 - 5170/2.9=2, 5177/2.9=1 HD3 LYS 43 - HB3 LYS 73 OK 18 89 - 20 - 5170/2.9=1, 5187/2.9=1 HD3 LYS 20 - HB3 LYS 73 OK 18 86 - 21 - 5170/2.9=2, 5187/2.9=1 HD2 LYS 20 - HB3 LYS 73 OK 17 85 - 21 - 5170/2.9=2, 5177/2.9=1 HD3 LYS 73 - HB3 LYS 43 OK 16 96 - 16 - 3846/3.0=1 HD2 LYS 73 - HB3 LYS 43 OK 16 95 - 16 - 3846/3.0=1 HD3 LYS 73 - HB2 LYS 43 OK 15 89 - 17 - 3846/3.0=1 HD2 LYS 73 - HB2 LYS 43 OK 15 88 - 17 - 3846/3.0=1 HD3 LYS 73 - HB2 LYS 96 OK 14 100 - 14 - 6097/1.8=2 HD2 LYS 73 - HB2 LYS 96 OK 14 99 - 14 - 6097/1.8=2 HD3 LYS 20 - HB2 LYS 96 OK 14 98 - 14 - 6097/1.8=1 HD2 LYS 20 - HB2 LYS 96 OK 13 97 - 14 - 6097/1.8=1 HD2 LYS 43 - HB2 LYS 96 OK 12 100 - 12 - 6097/1.8=1 HD3 LYS 43 - HB2 LYS 96 OK 12 100 - 12 - 6097/1.8=1 HD2 LYS 40 - HB3 LYS 43 poor 10 97 - 10 - HD3 LYS 40 - HB3 LYS 43 poor 10 97 - 10 - HD3 LYS 40 - HB2 LYS 96 lone 10 100 - 10 - 6077/3.0=1 HD2 LYS 40 - HB2 LYS 96 lone 10 100 - 10 - 6077/3.0=1 HD3 LYS 40 - HB2 LYS 43 poor 9 90 - 10 - HD2 LYS 40 - HB2 LYS 43 poor 9 90 - 11 - HG3 ARG 95 - HB3 LYS 44 lone 9 95 - 10 - 6047/4.7=2, 6049=1, 1.8/6041=1 HD3 LYS 96 - HB3 LYS 43 lone 9 96 - 10 - HD2 LYS 96 - HB3 LYS 43 lone 9 97 - 9 - HD3 LYS 40 - HB3 LYS 20 poor 9 74 - 12 - HD3 LYS 40 - HB2 LYS 20 poor 9 74 - 12 - HD2 LYS 40 - HB3 LYS 20 poor 9 74 - 12 - HD2 LYS 40 - HB2 LYS 20 poor 9 74 - 12 - HD3 LYS 96 - HB2 LYS 43 lone 9 90 - 9 - HD2 LYS 96 - HB2 LYS 73 lone 8 93 - 9 - HD2 LYS 96 - HB2 LYS 43 lone 8 90 - 9 - HD3 LYS 96 - HB2 LYS 73 lone 8 93 - 9 - HD2 LYS 96 - HB3 LYS 73 lone 8 90 - 9 - HD3 LYS 96 - HB3 LYS 73 lone 8 90 - 9 - HD2 LYS 43 - HB3 LYS 44 lone 8 97 - 8 - HG3 ARG 95 - HB2 LYS 44 lone 7 80 - 9 - 6047/4.7=2, 6049=1...(4) HD3 LYS 43 - HB3 LYS 44 lone 7 97 - 7 - HD2 LYS 96 - HB3 LYS 20 lone 7 74 - 10 - HD2 LYS 96 - HB2 LYS 20 lone 7 74 - 10 - HD3 LYS 96 - HB2 LYS 20 lone 7 74 - 9 - HD3 LYS 96 - HB3 LYS 20 lone 7 74 - 9 - HG3 LYS 123 - HB3 LYS 44 poor 7 61 - 11 - 2.9/7120=2, 2.9/7130=1, ~7120=1 HD2 LYS 43 - HB2 LYS 44 lone 7 82 - 8 - HD3 LYS 43 - HB2 LYS 44 lone 6 82 - 8 - HD3 LYS 73 - HB3 LYS 44 lone 6 97 - 6 - HD2 LYS 73 - HB3 LYS 44 lone 6 96 - 6 - HG3 LYS 39 - HB2 LYS 96 lone 6 65 - 9 - 7476/4.1=1, 4.9/7796=1 HD3 LYS 73 - HB2 LYS 44 lone 6 82 - 7 - HD2 LYS 73 - HB2 LYS 44 lone 5 81 - 7 - HG3 LYS 123 - HB2 LYS 44 poor 5 47 - 11 - 2.9/7120=2, 2.9/7130=1 HD3 LYS 40 - HB2 LYS 73 lone 5 93 - 5 - HD2 LYS 40 - HB2 LYS 73 lone 5 93 - 5 - HD3 LYS 40 - HB3 LYS 73 lone 5 90 - 5 - HD2 LYS 40 - HB3 LYS 73 lone 5 90 - 5 - HG3 ARG 95 - HB2 LYS 73 lone 4 90 - 4 - HD2 LYS 16 - HB2 LYS 73 lone 4 90 - 4 - HG3 ARG 95 - HB3 LYS 73 lone 4 88 - 4 - HG3 ARG 95 - HB3 LYS 43 lone 4 94 - 4 - HD2 LYS 16 - HB3 LYS 73 lone 3 88 - 4 - HG3 ARG 95 - HB3 LYS 20 lone 3 71 - 5 - HG3 ARG 95 - HB2 LYS 20 lone 3 71 - 5 - HD3 LYS 16 - HB2 LYS 73 lone 3 86 - 4 - HG3 LYS 39 - HB3 LYS 44 lone 3 61 - 5 - HD2 LYS 16 - HB3 LYS 20 lone 3 71 - 5 - HD2 LYS 16 - HB2 LYS 20 lone 3 71 - 5 - HD2 LYS 16 - HB2 LYS 96 lone 3 99 - 3 - HG12 ILE 71 - HB2 LYS 73 lone 3 73 - 4 - 4.6/1467=1 HG3 ARG 95 - HB2 LYS 43 lone 3 87 - 4 - HD3 LYS 16 - HB3 LYS 73 lone 3 83 - 4 - HG12 ILE 71 - HB3 LYS 73 lone 3 70 - 4 - 4.6/1467=1 HD3 LYS 16 - HB2 LYS 20 lone 3 67 - 4 - HD3 LYS 16 - HB3 LYS 20 lone 3 67 - 4 - HD2 LYS 17 - HB3 LYS 20 lone 3 74 - 4 - 4.8/7998=1 HD2 LYS 17 - HB2 LYS 20 lone 3 74 - 4 - 4.8/7998=1 HD3 LYS 16 - HB2 LYS 96 lone 3 96 - 3 - HD3 LYS 20 - HB3 LYS 44 lone 3 94 - 3 - HD2 LYS 20 - HB3 LYS 44 lone 3 93 - 3 - HG3 LYS 123 - HB2 LYS 96 lone 3 65 - 4 - HG3 LYS 39 - HB2 LYS 44 lone 3 47 - 5 - HD3 LYS 20 - HB2 LYS 44 lone 2 78 - 3 - HD2 LYS 20 - HB2 LYS 44 lone 2 77 - 3 - HG12 ILE 71 - HB2 LYS 96 lone 2 84 - 2 - HD3 LYS 40 - HB3 LYS 44 lone 2 97 - 2 - HD2 LYS 40 - HB3 LYS 44 lone 2 97 - 2 - HD2 LYS 17 - HB3 LYS 43 lone 1 97 - 1 - HD2 LYS 16 - HB3 LYS 44 lone 1 95 - 1 - HG12 ILE 71 - HB3 LYS 123 lone 1 31 - 5 - ~10612=2 HD2 LYS 16 - HB3 LYS 123 lone 1 41 - 3 - HG3 LYS 123 - HB3 LYS 43 lone 1 60 - 2 - HD3 LYS 40 - HB2 LYS 44 lone 1 83 - 2 - HD2 LYS 16 - HB3 LYS 43 lone 1 94 - 1 - HD2 LYS 40 - HB2 LYS 44 lone 1 83 - 2 - HD3 LYS 16 - HB3 LYS 123 lone 1 38 - 3 - HD3 LYS 96 - HB3 LYS 123 lone 1 43 - 3 - HD2 LYS 96 - HB3 LYS 123 lone 1 43 - 3 - HD2 LYS 17 - HB3 LYS 44 lone 1 97 - 1 - HD2 LYS 16 - HB2 LYS 43 lone 1 87 - 1 - HG3 LYS 123 - HB2 LYS 43 lone 1 53 - 2 - HG3 LYS 39 - HB3 LYS 43 lone 1 60 - 2 - HD3 LYS 16 - HB3 LYS 44 lone 1 91 - 1 - HD3 LYS 16 - HB3 LYS 43 lone 1 90 - 1 - HD2 LYS 17 - HB2 LYS 43 lone 1 90 - 1 - HB ILE 56 - HB3 LYS 20 lone 1 67 - 2 - HB ILE 56 - HB2 LYS 20 lone 1 67 - 2 - HD2 LYS 16 - HB2 LYS 44 lone 1 80 - 1 - HD2 LYS 17 - HB3 LYS 123 lone 1 43 - 3 - HD3 LYS 16 - HB2 LYS 43 lone 1 83 - 1 - HG3 LYS 39 - HB2 LYS 43 lone 1 53 - 2 - HD2 LYS 17 - HB2 LYS 96 lone 1 100 - 1 - HD2 LYS 17 - HB2 LYS 44 lone 1 83 - 1 - HB ILE 56 - HB2 LYS 96 lone 1 96 - 1 - HD3 LYS 16 - HB2 LYS 44 lone 1 75 - 1 - HG3 ARG 95 - HB3 LYS 123 lone 1 41 - 2 - HG12 ILE 71 - HB3 LYS 44 lone 1 78 - 1 - HG3 LYS 39 - HB3 LYS 123 lone 1 22 - 4 - HD2 LYS 17 - HB2 LYS 73 lone 1 93 - 1 - HD2 LYS 17 - HB3 LYS 73 lone 1 90 - 1 - HG3 LYS 39 - HB2 LYS 73 lone 1 56 - 1 - HG3 LYS 39 - HB3 LYS 73 lone 1 53 - 1 - HG12 ILE 71 - HB2 LYS 44 lone 1 63 - 1 - HG3 LYS 123 - HB2 LYS 73 lone 1 56 - 1 - HD2 LYS 40 - HB3 LYS 123 lone 1 43 - 1 - HD3 LYS 40 - HB3 LYS 123 lone 1 43 - 1 - HB ILE 56 - HB3 LYS 43 lone 0 90 - 1 - HG3 LYS 39 - HB2 LYS 20 lone 1 41 - 1 - HG3 LYS 39 - HB3 LYS 20 lone 1 41 - 1 - HB ILE 54 - HB2 LYS 96 lone 0 100 - 0 - HB ILE 56 - HB2 LYS 43 lone 0 83 - 1 - HG3 LYS 123 - HB3 LYS 73 lone 0 53 - 1 - HB ILE 54 - HB2 LYS 20 lone 0 74 - 1 - HB ILE 54 - HB3 LYS 20 lone 0 74 - 1 - HB ILE 56 - HB3 LYS 44 lone 0 91 - 0 - HB ILE 56 - HB2 LYS 73 lone 0 86 - 0 - HG12 ILE 71 - HB3 LYS 20 lone 0 55 - 1 - HG12 ILE 71 - HB2 LYS 20 lone 0 55 - 1 - HD3 LYS 43 - HB3 LYS 123 lone 0 42 - 1 - HG12 ILE 71 - HB3 LYS 43 lone 0 78 - 0 - HB ILE 54 - HB2 LYS 73 lone 0 93 - 0 - HB ILE 54 - HB3 LYS 73 lone 0 90 - 0 - HB ILE 54 - HB3 LYS 44 lone 0 97 - 0 - HB ILE 56 - HB3 LYS 73 lone 0 83 - 0 - HG12 ILE 71 - HB2 LYS 43 lone 0 70 - 0 - HB ILE 56 - HB2 LYS 44 lone 0 75 - 0 - HD2 LYS 43 - HB3 LYS 123 lone 0 43 - 1 - HB ILE 54 - HB3 LYS 43 lone 0 97 - 0 - HD3 LYS 73 - HB3 LYS 123 lone 0 42 - 1 - HB ILE 54 - HB2 LYS 44 lone 0 83 - 0 - HD2 LYS 73 - HB3 LYS 123 lone 0 42 - 1 - HB ILE 54 - HB2 LYS 43 lone 0 90 - 0 - HD3 LYS 20 - HB3 LYS 123 lone 0 40 - 1 - HD2 LYS 20 - HB3 LYS 123 lone 0 39 - 1 - HG3 LYS 123 - HB3 LYS 20 lone 0 41 - 0 - HG3 LYS 123 - HB2 LYS 20 lone 0 41 - 0 - HB ILE 54 - HB3 LYS 123 lone 0 43 - 0 - HB ILE 56 - HB3 LYS 123 lone 0 38 - 0 - Peak 6088 from cnoeabs.peaks (1.68, 1.90, 32.07 ppm; 2.60 A): 14 out of 200 assignments used, quality = 1.00: HD2 LYS 96 + HB2 LYS 96 OK 79 100 - 79 - 3.4=43, 6097/1.8=8...(36) * HD3 LYS 96 + HB2 LYS 96 OK 79 100 - 79 - 3.4=43, 6097/1.8=8...(36) HD3 LYS 73 + HB2 LYS 73 OK 65 93 - 70 - 3.8=31, 5170/2.9=6...(35) HD2 LYS 73 + HB2 LYS 73 OK 65 93 - 70 - 3.8=31, 5170/2.9=6...(35) HD3 LYS 43 + HB3 LYS 43 OK 64 97 - 67 - 3.8=31, 3846/3.0=6...(25) HD2 LYS 43 + HB3 LYS 43 OK 64 95 - 67 - 3.8=31, 3846/3.0=6...(25) HD3 LYS 73 + HB3 LYS 73 OK 63 90 - 70 - 3.8=31, 5170/2.9=6...(35) HD2 LYS 73 + HB3 LYS 73 OK 63 90 - 70 - 3.8=31, 5170/2.9=6...(35) HD3 LYS 43 + HB2 LYS 43 OK 60 90 - 67 - 3.8=31, 3846/3.0=6...(25) HD2 LYS 43 + HB2 LYS 43 OK 60 88 - 67 - 3.8=31, 3846/3.0=6...(25) HD3 LYS 20 + HB2 LYS 20 OK 56 72 - 77 - 3.4=43, 3079/2.9=5...(35) HD3 LYS 20 + HB3 LYS 20 OK 56 72 - 77 - 3.4=43, 3079/2.9=5...(35) HD2 LYS 20 + HB3 LYS 20 OK 55 71 - 77 - 3.4=43, 3079/2.9=5...(35) HD2 LYS 20 + HB2 LYS 20 OK 55 71 - 77 - 3.4=43, 3079/2.9=5...(35) HD2 LYS 44 - HB3 LYS 44 OK 44 61 - 73 - 3.7=36, 1.8/3953=4...(36) HD2 LYS 44 - HB2 LYS 44 OK 35 47 - 74 - 3.7=36, 1.8/3953=4...(37) HD2 LYS 96 - HB3 LYS 44 OK 34 97 - 35 - 6107/2.9=2, 6126/2.9=1...(6) HD3 LYS 96 - HB3 LYS 44 OK 34 97 - 35 - 6107/2.9=2, 6126/2.9=1...(6) HD2 LYS 96 - HB2 LYS 44 OK 29 82 - 36 - 6107/2.9=2, 6126/2.9=1...(5) HD3 LYS 96 - HB2 LYS 44 OK 29 83 - 35 - 6107/2.9=2, 6126/2.9=1...(5) HD2 LYS 44 - HB2 LYS 96 OK 25 65 - 39 - 6098/1.8=2, 1.8/3963=2...(15) HG3 LYS 123 - HB3 LYS 123 OK 22 26 - 86 - 2.9=69, 7114/3.8=7...(27) HD3 LYS 20 - HB3 LYS 43 OK 22 95 - 23 - 3816/3.0=2, 3847/3.0=1...(5) HG3 ARG 95 - HB2 LYS 96 OK 22 97 - 22 - 6049=4, 1.8/6041=3...(7) HD2 LYS 20 - HB3 LYS 43 OK 22 94 - 23 - 3816/3.0=2, 3847/3.0=1...(5) HD3 LYS 20 - HB2 LYS 43 OK 21 88 - 24 - 3816/3.0=2, 3847/3.0=1...(5) HD2 LYS 20 - HB2 LYS 43 OK 21 87 - 24 - 3816/3.0=2, 3847/3.0=1...(5) HD3 LYS 73 - HB3 LYS 20 OK 20 74 - 28 - 3079/2.9=2, 3069/2.9=2 HD3 LYS 73 - HB2 LYS 20 OK 20 74 - 28 - 3079/2.9=2, 3069/2.9=2 HD2 LYS 73 - HB3 LYS 20 OK 20 74 - 28 - 3079/2.9=2, 3069/2.9=2 HD2 LYS 73 - HB2 LYS 20 OK 20 74 - 28 - 3079/2.9=2, 3069/2.9=2 HD3 LYS 43 - HB3 LYS 20 OK 20 74 - 28 - 3069/2.9=2, 3079/2.9=2...(4) HD3 LYS 43 - HB2 LYS 20 OK 20 74 - 28 - 3069/2.9=2, 3079/2.9=2...(4) HD2 LYS 43 - HB3 LYS 20 OK 20 72 - 28 - 3069/2.9=2, 3079/2.9=2...(4) HD2 LYS 43 - HB2 LYS 20 OK 20 72 - 28 - 3069/2.9=2, 3079/2.9=2...(4) HD3 LYS 20 - HB2 LYS 73 OK 19 91 - 21 - 5170/2.9=2, 5177/2.9=1 HD2 LYS 20 - HB2 LYS 73 OK 18 90 - 21 - 5170/2.9=2, 5177/2.9=1 HD3 LYS 43 - HB2 LYS 73 OK 18 93 - 20 - 5170/2.9=1, 5187/2.9=1 HD2 LYS 43 - HB2 LYS 73 OK 18 91 - 20 - 5170/2.9=1, 5187/2.9=1 HD3 LYS 20 - HB3 LYS 73 OK 18 89 - 21 - 5170/2.9=2, 5177/2.9=1 HD2 LYS 20 - HB3 LYS 73 OK 18 88 - 21 - 5170/2.9=2, 5177/2.9=1 HD3 LYS 43 - HB3 LYS 73 OK 18 90 - 20 - 5170/2.9=1, 5187/2.9=1 HD2 LYS 43 - HB3 LYS 73 OK 18 89 - 20 - 5170/2.9=1, 5187/2.9=1 HD3 LYS 73 - HB3 LYS 43 OK 16 97 - 16 - 3846/3.0=1 HD2 LYS 73 - HB3 LYS 43 OK 16 96 - 16 - 3846/3.0=1 HD3 LYS 73 - HB2 LYS 43 OK 15 90 - 17 - 3846/3.0=1 HD2 LYS 73 - HB2 LYS 43 OK 15 90 - 17 - 3846/3.0=1 HD3 LYS 73 - HB2 LYS 96 OK 14 100 - 14 - 6097/1.8=2 HD2 LYS 73 - HB2 LYS 96 OK 14 100 - 14 - 6097/1.8=2 HD3 LYS 20 - HB2 LYS 96 OK 14 99 - 14 - 6097/1.8=1 HD2 LYS 20 - HB2 LYS 96 OK 14 99 - 14 - 6097/1.8=1 HD2 LYS 43 - HB2 LYS 96 OK 12 99 - 12 - 6097/1.8=1 HD3 LYS 43 - HB2 LYS 96 OK 12 100 - 12 - 6097/1.8=1 HD2 LYS 40 - HB3 LYS 43 OK 10 97 - 10 - HD3 LYS 40 - HB3 LYS 43 poor 10 96 - 10 - HD3 LYS 40 - HB2 LYS 96 lone 10 100 - 10 - 6077/3.0=1 HD2 LYS 40 - HB2 LYS 96 lone 10 100 - 10 - 6077/3.0=1 HD2 LYS 40 - HB2 LYS 43 poor 9 90 - 11 - HD3 LYS 40 - HB2 LYS 43 poor 9 90 - 10 - HD3 LYS 96 - HB3 LYS 43 lone 9 97 - 10 - HG3 ARG 95 - HB3 LYS 44 lone 9 93 - 10 - 6047/4.7=2, 6049=1, 1.8/6041=1 HD2 LYS 96 - HB3 LYS 43 lone 9 96 - 9 - HD3 LYS 96 - HB2 LYS 43 lone 9 90 - 10 - HD2 LYS 40 - HB2 LYS 20 poor 9 74 - 12 - HD2 LYS 40 - HB3 LYS 20 poor 9 74 - 12 - HD3 LYS 40 - HB2 LYS 20 poor 9 74 - 12 - HD3 LYS 40 - HB3 LYS 20 poor 9 74 - 12 - HD2 LYS 96 - HB2 LYS 73 lone 8 93 - 9 - HD3 LYS 96 - HB2 LYS 73 lone 8 93 - 9 - HD2 LYS 96 - HB2 LYS 43 lone 8 90 - 9 - HD2 LYS 96 - HB3 LYS 73 lone 8 90 - 9 - HD3 LYS 96 - HB3 LYS 73 lone 8 90 - 9 - HG3 LYS 123 - HB3 LYS 44 poor 8 68 - 12 - 2.9/7120=2, 2.9/7130=1, ~7120=1 HD2 LYS 43 - HB3 LYS 44 lone 8 96 - 8 - HD3 LYS 43 - HB3 LYS 44 lone 7 97 - 8 - HG3 ARG 95 - HB2 LYS 44 lone 7 77 - 9 - 6047/4.7=2, 6049=1...(4) HD3 LYS 96 - HB2 LYS 20 lone 7 74 - 10 - HD3 LYS 96 - HB3 LYS 20 lone 7 74 - 10 - HD2 LYS 96 - HB2 LYS 20 lone 7 74 - 10 - HD2 LYS 96 - HB3 LYS 20 lone 7 74 - 10 - HG3 LYS 39 - HB2 LYS 96 lone 7 73 - 9 - 7476/4.1=1, 3598/4.6=1 HD2 LYS 43 - HB2 LYS 44 lone 7 81 - 8 - HD3 LYS 43 - HB2 LYS 44 lone 7 83 - 8 - HD3 LYS 73 - HB3 LYS 44 lone 6 97 - 6 - HD2 LYS 73 - HB3 LYS 44 lone 6 97 - 6 - HG3 LYS 123 - HB2 LYS 44 poor 6 54 - 11 - 2.9/7120=2, 2.9/7130=1 HD3 LYS 73 - HB2 LYS 44 lone 6 83 - 7 - HD2 LYS 73 - HB2 LYS 44 lone 6 82 - 7 - HD2 LYS 44 - HB3 LYS 43 lone 6 60 - 9 - 3950/4.7=2 HD2 LYS 40 - HB2 LYS 73 lone 5 93 - 5 - HD3 LYS 40 - HB2 LYS 73 lone 5 93 - 5 - HD2 LYS 44 - HB2 LYS 43 lone 5 53 - 9 - 3950/4.7=2 HD2 LYS 40 - HB3 LYS 73 lone 5 90 - 5 - HD3 LYS 40 - HB3 LYS 73 lone 5 90 - 5 - HG3 LYS 39 - HB3 LYS 44 lone 4 68 - 6 - HD2 LYS 16 - HB2 LYS 73 lone 4 92 - 4 - HG3 ARG 95 - HB2 LYS 73 lone 4 87 - 4 - HD2 LYS 16 - HB3 LYS 73 lone 4 89 - 4 - HD3 LYS 16 - HB2 LYS 73 lone 3 89 - 4 - HG12 ILE 71 - HB2 LYS 73 lone 3 79 - 4 - 4.6/1467=1 HG3 ARG 95 - HB3 LYS 73 lone 3 85 - 4 - HG3 ARG 95 - HB3 LYS 43 lone 3 92 - 4 - HD2 LYS 16 - HB2 LYS 20 lone 3 73 - 5 - HD2 LYS 16 - HB3 LYS 20 lone 3 73 - 5 - HG12 ILE 71 - HB3 LYS 73 lone 3 76 - 4 - 4.6/1467=1 HD3 LYS 16 - HB3 LYS 73 lone 3 86 - 4 - HD2 LYS 16 - HB2 LYS 96 lone 3 100 - 3 - HG3 ARG 95 - HB2 LYS 20 lone 3 68 - 5 - HG3 ARG 95 - HB3 LYS 20 lone 3 68 - 5 - HD3 LYS 16 - HB3 LYS 20 lone 3 70 - 4 - HD3 LYS 16 - HB2 LYS 20 lone 3 70 - 4 - HG3 LYS 123 - HB2 LYS 96 lone 3 73 - 4 - HG3 ARG 95 - HB2 LYS 43 lone 3 84 - 4 - HD3 LYS 16 - HB2 LYS 96 lone 3 98 - 3 - HD2 LYS 17 - HB3 LYS 20 lone 3 74 - 4 - 4.8/7998=1 HD2 LYS 17 - HB2 LYS 20 lone 3 74 - 4 - 4.8/7998=1 HD3 LYS 20 - HB3 LYS 44 lone 3 96 - 3 - HG3 LYS 39 - HB2 LYS 44 lone 3 54 - 5 - HD2 LYS 20 - HB3 LYS 44 lone 3 95 - 3 - HD3 LYS 20 - HB2 LYS 44 lone 3 81 - 3 - HD2 LYS 20 - HB2 LYS 44 lone 2 80 - 3 - HG12 ILE 71 - HB2 LYS 96 lone 2 90 - 2 - HD2 LYS 44 - HB2 LYS 73 lone 2 56 - 4 - HD2 LYS 44 - HB3 LYS 73 lone 2 53 - 4 - HD2 LYS 44 - HB3 LYS 123 lone 2 22 - 7 - HD2 LYS 40 - HB3 LYS 44 lone 2 97 - 2 - HG12 ILE 71 - HB3 LYS 123 lone 2 34 - 5 - ~10612=2 HD3 LYS 40 - HB3 LYS 44 lone 2 97 - 2 - HG3 LYS 123 - HB3 LYS 43 lone 1 67 - 2 - HD2 LYS 16 - HB3 LYS 123 lone 1 42 - 3 - HD2 LYS 16 - HB3 LYS 44 lone 1 97 - 1 - HD2 LYS 17 - HB3 LYS 43 lone 1 96 - 1 - HD3 LYS 16 - HB3 LYS 123 lone 1 40 - 3 - HG3 LYS 123 - HB2 LYS 43 lone 1 60 - 2 - HG3 LYS 39 - HB3 LYS 43 lone 1 67 - 2 - HD3 LYS 96 - HB3 LYS 123 lone 1 43 - 3 - HD2 LYS 16 - HB3 LYS 43 lone 1 96 - 1 - HD2 LYS 40 - HB2 LYS 44 lone 1 83 - 2 - HD3 LYS 40 - HB2 LYS 44 lone 1 82 - 2 - HD2 LYS 96 - HB3 LYS 123 lone 1 43 - 3 - HD3 LYS 16 - HB3 LYS 44 lone 1 94 - 1 - HD2 LYS 17 - HB3 LYS 44 lone 1 97 - 1 - HD2 LYS 16 - HB2 LYS 43 lone 1 89 - 1 - HD3 LYS 16 - HB3 LYS 43 lone 1 93 - 1 - HG3 LYS 39 - HB2 LYS 43 lone 1 60 - 2 - HB ILE 56 - HB3 LYS 20 lone 1 70 - 2 - HB ILE 56 - HB2 LYS 20 lone 1 70 - 2 - HD2 LYS 16 - HB2 LYS 44 lone 1 82 - 1 - HD2 LYS 17 - HB2 LYS 43 lone 1 90 - 1 - HD3 LYS 16 - HB2 LYS 43 lone 1 86 - 1 - HD2 LYS 17 - HB3 LYS 123 lone 1 43 - 3 - HG3 LYS 39 - HB3 LYS 123 lone 1 26 - 4 - HD2 LYS 17 - HB2 LYS 96 lone 1 100 - 1 - HD3 LYS 16 - HB2 LYS 44 lone 1 78 - 1 - HD2 LYS 17 - HB2 LYS 44 lone 1 82 - 1 - HB ILE 56 - HB2 LYS 96 lone 1 98 - 1 - HG12 ILE 71 - HB3 LYS 44 lone 1 84 - 1 - HG3 ARG 95 - HB3 LYS 123 lone 1 39 - 2 - HG3 LYS 39 - HB2 LYS 73 lone 1 63 - 1 - HD2 LYS 44 - HB3 LYS 20 lone 1 41 - 2 - HD2 LYS 44 - HB2 LYS 20 lone 1 41 - 2 - HD2 LYS 17 - HB2 LYS 73 lone 1 93 - 1 - HG3 LYS 39 - HB3 LYS 73 lone 1 60 - 1 - HD2 LYS 17 - HB3 LYS 73 lone 1 90 - 1 - HG3 LYS 123 - HB2 LYS 73 lone 1 63 - 1 - HG12 ILE 71 - HB2 LYS 44 lone 1 68 - 1 - HG3 LYS 39 - HB2 LYS 20 lone 1 47 - 1 - HG3 LYS 39 - HB3 LYS 20 lone 1 47 - 1 - HD2 LYS 40 - HB3 LYS 123 lone 1 43 - 1 - HD3 LYS 40 - HB3 LYS 123 lone 1 43 - 1 - HB ILE 56 - HB3 LYS 43 lone 1 93 - 1 - HG3 LYS 123 - HB3 LYS 73 lone 1 60 - 1 - HB ILE 54 - HB2 LYS 96 lone 0 100 - 0 - HB ILE 56 - HB2 LYS 43 lone 0 86 - 1 - HB ILE 54 - HB3 LYS 20 lone 0 74 - 1 - HB ILE 54 - HB2 LYS 20 lone 0 74 - 1 - HG12 ILE 71 - HB3 LYS 20 lone 0 60 - 1 - HG12 ILE 71 - HB2 LYS 20 lone 0 60 - 1 - HB ILE 56 - HB3 LYS 44 lone 0 94 - 0 - HB ILE 56 - HB2 LYS 73 lone 0 89 - 0 - HD3 LYS 43 - HB3 LYS 123 lone 0 43 - 1 - HG12 ILE 71 - HB3 LYS 43 lone 0 84 - 0 - HB ILE 54 - HB2 LYS 73 lone 0 93 - 0 - HB ILE 56 - HB3 LYS 73 lone 0 86 - 0 - HB ILE 54 - HB3 LYS 73 lone 0 90 - 0 - HG12 ILE 71 - HB2 LYS 43 lone 0 76 - 0 - HB ILE 54 - HB3 LYS 44 lone 0 97 - 0 - HB ILE 56 - HB2 LYS 44 lone 0 78 - 0 - HB ILE 54 - HB3 LYS 43 lone 0 97 - 0 - HD2 LYS 43 - HB3 LYS 123 lone 0 42 - 1 - HD2 LYS 73 - HB3 LYS 123 lone 0 43 - 1 - HD3 LYS 73 - HB3 LYS 123 lone 0 43 - 1 - HD3 LYS 20 - HB3 LYS 123 lone 0 42 - 1 - HD2 LYS 20 - HB3 LYS 123 lone 0 41 - 1 - HB ILE 54 - HB2 LYS 44 lone 0 83 - 0 - HB ILE 54 - HB2 LYS 43 lone 0 90 - 0 - HG3 LYS 123 - HB2 LYS 20 lone 0 47 - 1 - HG3 LYS 123 - HB3 LYS 20 lone 0 47 - 1 - HB ILE 54 - HB3 LYS 123 lone 0 43 - 0 - HB ILE 56 - HB3 LYS 123 lone 0 40 - 0 - Peak 6089 from cnoeabs.peaks (2.93, 1.90, 32.07 ppm; 3.67 A): 12 out of 90 assignments used, quality = 1.00: * HE2 LYS 96 + HB2 LYS 96 OK 90 100 - 90 - 4.9=42, 6100/1.8=7...(59) HE3 LYS 96 + HB2 LYS 96 OK 90 100 - 90 - 4.9=42, 6100/1.8=7...(59) HE2 LYS 44 + HB3 LYS 44 OK 85 97 - 88 - 5.0=40, 3974/2.9=5...(58) HE3 LYS 44 + HB3 LYS 44 OK 85 97 - 88 - 5.0=40, 3974/2.9=5...(58) HE2 LYS 44 + HB2 LYS 44 OK 73 83 - 88 - 5.0=40, 3984/2.9=5...(58) HE3 LYS 44 + HB2 LYS 44 OK 73 83 - 88 - 5.0=40, 3984/2.9=5...(58) HE2 LYS 44 + HB2 LYS 96 OK 67 100 - 68 - 6099/1.8=6, 6079/3.0=4...(48) HE3 LYS 44 + HB2 LYS 96 OK 67 100 - 68 - 6099/1.8=6, 6079/3.0=4...(48) HE2 LYS 96 + HB3 LYS 44 OK 53 97 - 55 - 3909/3.0=3, 3938/2.9=3...(37) HE3 LYS 96 + HB3 LYS 44 OK 53 97 - 55 - 3909/3.0=3, 3938/2.9=3...(37) HE3 LYS 96 + HB2 LYS 44 OK 46 83 - 56 - 3909/3.0=3, 3939/2.9=3...(37) HE2 LYS 96 + HB2 LYS 44 OK 46 83 - 56 - 3909/3.0=3, 3939/2.9=3...(37) HE3 LYS 96 - HB3 LYS 43 OK 13 97 - 13 - 1290/4.7=2 HE2 LYS 96 - HB3 LYS 43 OK 13 97 - 13 - 1290/4.7=2 HE2 LYS 96 - HB2 LYS 43 OK 12 90 - 14 - 1290/4.7=2 HE3 LYS 96 - HB2 LYS 43 OK 12 90 - 14 - 1290/4.7=2 HE2 LYS 44 - HB3 LYS 43 OK 12 97 - 13 - 1291/4.7=3 HE3 LYS 44 - HB3 LYS 43 OK 12 97 - 13 - 1291/4.7=3 HE2 LYS 96 - HB2 LYS 73 OK 12 93 - 12 - HE3 LYS 96 - HB2 LYS 73 OK 12 93 - 12 - HE3 LYS 44 - HB2 LYS 43 OK 12 90 - 13 - 1290/4.7=3 HE2 LYS 44 - HB2 LYS 43 OK 12 90 - 13 - 1290/4.7=3 HE2 LYS 65 - HB2 LYS 96 OK 12 81 - 14 - 6099/1.8=1 HE3 LYS 65 - HB2 LYS 96 OK 12 81 - 14 - 6099/1.8=1 HE2 LYS 96 - HB3 LYS 73 OK 11 90 - 12 - HE3 LYS 96 - HB3 LYS 73 OK 11 90 - 12 - HE2 LYS 96 - HB3 LYS 20 poor 8 74 - 11 - HE2 LYS 96 - HB2 LYS 20 poor 8 74 - 11 - HE3 LYS 96 - HB3 LYS 20 poor 8 74 - 11 - HE3 LYS 96 - HB2 LYS 20 poor 8 74 - 11 - HE3 LYS 44 - HB2 LYS 73 lone 5 93 - 5 - HE2 LYS 44 - HB2 LYS 73 lone 5 93 - 5 - HE2 LYS 44 - HB3 LYS 73 lone 5 90 - 5 - HE3 LYS 44 - HB3 LYS 73 lone 5 90 - 5 - HE3 LYS 94 - HB3 LYS 43 lone 5 78 - 6 - ~11106=2, ~8085=2 HE3 LYS 44 - HB3 LYS 123 poor 4 43 - 10 - HE2 LYS 44 - HB3 LYS 123 poor 4 43 - 10 - HE3 LYS 94 - HB2 LYS 43 lone 4 70 - 6 - ~11106=2, ~8085=2 HE3 LYS 94 - HB2 LYS 96 lone 3 84 - 3 - HE3 LYS 65 - HB3 LYS 44 lone 2 75 - 3 - HE2 LYS 65 - HB3 LYS 44 lone 2 75 - 3 - HE3 LYS 94 - HB3 LYS 44 lone 2 78 - 3 - HE3 LYS 44 - HB3 LYS 20 lone 2 74 - 3 - HE2 LYS 44 - HB2 LYS 20 lone 2 74 - 3 - HE2 LYS 44 - HB3 LYS 20 lone 2 74 - 3 - HE3 LYS 44 - HB2 LYS 20 lone 2 74 - 3 - HE3 LYS 65 - HB2 LYS 44 lone 2 60 - 3 - HE2 LYS 65 - HB2 LYS 44 lone 2 60 - 3 - HE3 LYS 94 - HB2 LYS 44 lone 2 63 - 3 - HE2 LYS 96 - HB3 LYS 123 lone 1 43 - 3 - HE3 LYS 96 - HB3 LYS 123 lone 1 43 - 3 - HD3 ARG 30 - HB3 LYS 44 lone 1 97 - 1 - HD3 ARG 30 - HB2 LYS 96 lone 1 100 - 1 - HE2 LYS 65 - HB3 LYS 123 lone 1 29 - 3 - HE3 LYS 65 - HB3 LYS 123 lone 1 29 - 3 - HD3 ARG 30 - HB2 LYS 44 lone 1 82 - 1 - HE3 LYS 94 - HB3 LYS 123 lone 1 31 - 2 - HD3 ARG 30 - HB3 LYS 43 lone 1 96 - 1 - HE3 LYS 94 - HB2 LYS 20 lone 1 55 - 1 - HE3 LYS 94 - HB3 LYS 20 lone 1 55 - 1 - HB2 ASP 86 - HB3 LYS 44 lone 1 97 - 1 - HB2 ASP 86 - HB2 LYS 96 lone 1 100 - 1 - HD3 ARG 30 - HB2 LYS 43 lone 1 89 - 1 - HE2 LYS 65 - HB3 LYS 43 lone 1 74 - 1 - HE3 LYS 65 - HB3 LYS 43 lone 1 74 - 1 - HB2 ASP 86 - HB2 LYS 44 lone 1 82 - 1 - HD3 ARG 30 - HB2 LYS 73 lone 0 92 - 1 - HE3 LYS 65 - HB2 LYS 43 lone 1 67 - 1 - HE2 LYS 65 - HB2 LYS 43 lone 1 67 - 1 - HD3 ARG 30 - HB3 LYS 73 lone 0 89 - 1 - HB2 ASP 86 - HB3 LYS 43 lone 0 96 - 0 - HE3 LYS 65 - HB2 LYS 73 lone 0 70 - 1 - HE2 LYS 65 - HB2 LYS 73 lone 0 70 - 1 - HB2 ASP 86 - HB2 LYS 43 lone 0 89 - 0 - HE3 LYS 65 - HB3 LYS 73 lone 0 67 - 1 - HE2 LYS 65 - HB3 LYS 73 lone 0 67 - 1 - HE3 LYS 94 - HB3 LYS 73 lone 0 70 - 1 - HE3 LYS 94 - HB2 LYS 73 lone 0 73 - 1 - HB2 ASP 86 - HB2 LYS 73 lone 0 92 - 0 - HD3 ARG 30 - HB2 LYS 20 lone 0 73 - 1 - HD3 ARG 30 - HB3 LYS 20 lone 0 73 - 1 - HB2 ASP 86 - HB3 LYS 73 lone 0 89 - 0 - HE3 LYS 65 - HB3 LYS 20 lone 0 53 - 1 - HE2 LYS 65 - HB3 LYS 20 lone 0 53 - 1 - HE2 LYS 65 - HB2 LYS 20 lone 0 53 - 1 - HE3 LYS 65 - HB2 LYS 20 lone 0 53 - 1 - HB2 ASP 86 - HB2 LYS 20 lone 0 73 - 0 - HB2 ASP 86 - HB3 LYS 20 lone 0 73 - 0 - HD3 ARG 30 - HB3 LYS 123 lone 0 42 - 0 - HB2 ASP 86 - HB3 LYS 123 lone 0 42 - 0 - Peak 6090 from cnoeabs.peaks (2.93, 1.90, 32.07 ppm; 3.67 A): 12 out of 90 assignments used, quality = 1.00: HE2 LYS 96 + HB2 LYS 96 OK 90 100 - 90 - 4.9=42, 6100/1.8=7...(59) * HE3 LYS 96 + HB2 LYS 96 OK 90 100 - 90 - 4.9=42, 6100/1.8=7...(59) HE2 LYS 44 + HB3 LYS 44 OK 85 97 - 88 - 5.0=40, 3974/2.9=5...(58) HE3 LYS 44 + HB3 LYS 44 OK 85 97 - 88 - 5.0=40, 3974/2.9=5...(58) HE2 LYS 44 + HB2 LYS 44 OK 73 83 - 88 - 5.0=40, 3984/2.9=5...(58) HE3 LYS 44 + HB2 LYS 44 OK 73 83 - 88 - 5.0=40, 3984/2.9=5...(58) HE2 LYS 44 + HB2 LYS 96 OK 67 100 - 68 - 6099/1.8=6, 6079/3.0=4...(48) HE3 LYS 44 + HB2 LYS 96 OK 67 100 - 68 - 6099/1.8=6, 6079/3.0=4...(48) HE2 LYS 96 + HB3 LYS 44 OK 53 97 - 55 - 3909/3.0=3, 3938/2.9=3...(37) HE3 LYS 96 + HB3 LYS 44 OK 53 97 - 55 - 3909/3.0=3, 3938/2.9=3...(37) HE3 LYS 96 + HB2 LYS 44 OK 46 83 - 56 - 3909/3.0=3, 3939/2.9=3...(37) HE2 LYS 96 + HB2 LYS 44 OK 46 83 - 56 - 3909/3.0=3, 3939/2.9=3...(37) HE3 LYS 96 - HB3 LYS 43 OK 13 97 - 13 - 1290/4.7=2 HE2 LYS 96 - HB3 LYS 43 OK 13 97 - 13 - 1290/4.7=2 HE2 LYS 96 - HB2 LYS 43 OK 12 90 - 14 - 1290/4.7=2 HE3 LYS 96 - HB2 LYS 43 OK 12 90 - 14 - 1290/4.7=2 HE2 LYS 44 - HB3 LYS 43 OK 12 97 - 13 - 1291/4.7=3 HE3 LYS 44 - HB3 LYS 43 OK 12 97 - 13 - 1291/4.7=3 HE2 LYS 96 - HB2 LYS 73 OK 12 93 - 12 - HE3 LYS 96 - HB2 LYS 73 OK 12 93 - 12 - HE3 LYS 44 - HB2 LYS 43 OK 12 90 - 13 - 1290/4.7=3 HE2 LYS 44 - HB2 LYS 43 OK 12 90 - 13 - 1290/4.7=3 HE2 LYS 65 - HB2 LYS 96 OK 12 81 - 14 - 6099/1.8=1 HE3 LYS 65 - HB2 LYS 96 OK 12 81 - 14 - 6099/1.8=1 HE2 LYS 96 - HB3 LYS 73 OK 11 90 - 12 - HE3 LYS 96 - HB3 LYS 73 OK 11 90 - 12 - HE2 LYS 96 - HB3 LYS 20 poor 8 74 - 11 - HE2 LYS 96 - HB2 LYS 20 poor 8 74 - 11 - HE3 LYS 96 - HB3 LYS 20 poor 8 74 - 11 - HE3 LYS 96 - HB2 LYS 20 poor 8 74 - 11 - HE3 LYS 44 - HB2 LYS 73 lone 5 93 - 5 - HE2 LYS 44 - HB2 LYS 73 lone 5 93 - 5 - HE2 LYS 44 - HB3 LYS 73 lone 5 90 - 5 - HE3 LYS 44 - HB3 LYS 73 lone 5 90 - 5 - HE3 LYS 94 - HB3 LYS 43 lone 5 78 - 6 - ~11106=2, ~8085=2 HE3 LYS 44 - HB3 LYS 123 poor 4 43 - 10 - HE2 LYS 44 - HB3 LYS 123 poor 4 43 - 10 - HE3 LYS 94 - HB2 LYS 43 lone 4 70 - 6 - ~11106=2, ~8085=2 HE3 LYS 94 - HB2 LYS 96 lone 3 84 - 3 - HE3 LYS 65 - HB3 LYS 44 lone 2 75 - 3 - HE2 LYS 65 - HB3 LYS 44 lone 2 75 - 3 - HE3 LYS 94 - HB3 LYS 44 lone 2 78 - 3 - HE3 LYS 44 - HB3 LYS 20 lone 2 74 - 3 - HE2 LYS 44 - HB2 LYS 20 lone 2 74 - 3 - HE2 LYS 44 - HB3 LYS 20 lone 2 74 - 3 - HE3 LYS 44 - HB2 LYS 20 lone 2 74 - 3 - HE3 LYS 65 - HB2 LYS 44 lone 2 60 - 3 - HE2 LYS 65 - HB2 LYS 44 lone 2 60 - 3 - HE3 LYS 94 - HB2 LYS 44 lone 2 63 - 3 - HE2 LYS 96 - HB3 LYS 123 lone 1 43 - 3 - HE3 LYS 96 - HB3 LYS 123 lone 1 43 - 3 - HD3 ARG 30 - HB3 LYS 44 lone 1 97 - 1 - HD3 ARG 30 - HB2 LYS 96 lone 1 100 - 1 - HE2 LYS 65 - HB3 LYS 123 lone 1 29 - 3 - HE3 LYS 65 - HB3 LYS 123 lone 1 29 - 3 - HD3 ARG 30 - HB2 LYS 44 lone 1 82 - 1 - HE3 LYS 94 - HB3 LYS 123 lone 1 31 - 2 - HD3 ARG 30 - HB3 LYS 43 lone 1 96 - 1 - HE3 LYS 94 - HB2 LYS 20 lone 1 55 - 1 - HE3 LYS 94 - HB3 LYS 20 lone 1 55 - 1 - HB2 ASP 86 - HB3 LYS 44 lone 1 97 - 1 - HB2 ASP 86 - HB2 LYS 96 lone 1 100 - 1 - HD3 ARG 30 - HB2 LYS 43 lone 1 89 - 1 - HE2 LYS 65 - HB3 LYS 43 lone 1 74 - 1 - HE3 LYS 65 - HB3 LYS 43 lone 1 74 - 1 - HB2 ASP 86 - HB2 LYS 44 lone 1 82 - 1 - HD3 ARG 30 - HB2 LYS 73 lone 0 92 - 1 - HE3 LYS 65 - HB2 LYS 43 lone 1 67 - 1 - HE2 LYS 65 - HB2 LYS 43 lone 1 67 - 1 - HD3 ARG 30 - HB3 LYS 73 lone 0 89 - 1 - HB2 ASP 86 - HB3 LYS 43 lone 0 96 - 0 - HE3 LYS 65 - HB2 LYS 73 lone 0 70 - 1 - HE2 LYS 65 - HB2 LYS 73 lone 0 70 - 1 - HB2 ASP 86 - HB2 LYS 43 lone 0 89 - 0 - HE3 LYS 65 - HB3 LYS 73 lone 0 67 - 1 - HE2 LYS 65 - HB3 LYS 73 lone 0 67 - 1 - HE3 LYS 94 - HB3 LYS 73 lone 0 70 - 1 - HE3 LYS 94 - HB2 LYS 73 lone 0 73 - 1 - HB2 ASP 86 - HB2 LYS 73 lone 0 92 - 0 - HD3 ARG 30 - HB2 LYS 20 lone 0 73 - 1 - HD3 ARG 30 - HB3 LYS 20 lone 0 73 - 1 - HB2 ASP 86 - HB3 LYS 73 lone 0 89 - 0 - HE3 LYS 65 - HB3 LYS 20 lone 0 53 - 1 - HE2 LYS 65 - HB3 LYS 20 lone 0 53 - 1 - HE2 LYS 65 - HB2 LYS 20 lone 0 53 - 1 - HE3 LYS 65 - HB2 LYS 20 lone 0 53 - 1 - HB2 ASP 86 - HB2 LYS 20 lone 0 73 - 0 - HB2 ASP 86 - HB3 LYS 20 lone 0 73 - 0 - HD3 ARG 30 - HB3 LYS 123 lone 0 42 - 0 - HB2 ASP 86 - HB3 LYS 123 lone 0 42 - 0 - Peak 6091 from cnoeabs.peaks (7.79, 1.97, 32.07 ppm; 3.16 A): 2 out of 3 assignments used, quality = 0.87: * H LYS 96 + HB3 LYS 96 OK 77 100 - 77 - 4.1=47, 1640/2.9=9...(22) H LYS 40 + HB3 LYS 96 OK 43 97 - 44 - 2040/3.0=11, 218/4.6=5...(15) H GLU 66 - HB3 LYS 96 lone 2 70 - 3 - Peak 6092 from cnoeabs.peaks (4.07, 1.97, 32.07 ppm; 2.96 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 96 + HB3 LYS 96 OK 100 100 - 100 - 3.0=100 Peak 6093 from cnoeabs.peaks (1.90, 1.97, 32.07 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 96 + HB3 LYS 96 OK 100 100 - 100 - 1.8=100 Peak 6094 from cnoeabs.peaks (1.97, 1.97, 32.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 96 + HB3 LYS 96 OK 100 100 - 100 Peak 6095 from cnoeabs.peaks (1.44, 1.97, 32.07 ppm; 3.21 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 96 + HB3 LYS 96 OK 100 100 - 100 - 2.9=100 Peak 6096 from cnoeabs.peaks (1.57, 1.97, 32.07 ppm; 2.97 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 96 + HB3 LYS 96 OK 100 100 - 100 - 2.9=100 Peak 6097 from cnoeabs.peaks (1.68, 1.97, 32.07 ppm; 2.71 A): 2 out of 19 assignments used, quality = 0.98: * HD2 LYS 96 + HB3 LYS 96 OK 85 100 - 85 - 3.4=48, 6117/2.9=5...(36) HD3 LYS 96 + HB3 LYS 96 OK 85 100 - 85 - 3.4=48, 6117/2.9=5...(35) HG3 ARG 95 - HB3 LYS 96 OK 21 99 - 22 - 7792/4.1=4, 6049/1.8=3...(9) HD3 LYS 73 - HB3 LYS 96 OK 18 100 - 18 - 6134=2, 1.8/6134=1 HD2 LYS 73 - HB3 LYS 96 OK 17 99 - 18 - 6134=2, 1.8/6134=1 HD3 LYS 20 - HB3 LYS 96 OK 16 98 - 17 - 6134=1, 1.8/6134=1 HD2 LYS 20 - HB3 LYS 96 OK 16 97 - 17 - 6134=1, 1.8/6134=1 HD2 LYS 43 - HB3 LYS 96 OK 15 100 - 15 - 6124=1, 1.8/6134=1 HD3 LYS 43 - HB3 LYS 96 OK 14 100 - 14 - 6134=1, 1.8/6124=1 HD3 LYS 40 - HB3 LYS 96 OK 11 100 - 11 - 6.2/6091=1, 6077/3.0=1 HD2 LYS 40 - HB3 LYS 96 OK 11 100 - 11 - 6.2/6091=1, 6077/3.0=1 HG3 LYS 39 - HB3 LYS 96 poor 7 65 - 11 - 4.9/7797=3, 7476/4.1=1 HD2 LYS 16 - HB3 LYS 96 lone 3 99 - 3 - HD3 LYS 16 - HB3 LYS 96 lone 3 96 - 3 - HG3 LYS 123 - HB3 LYS 96 lone 3 65 - 4 - HG12 ILE 71 - HB3 LYS 96 lone 2 84 - 2 - HB ILE 56 - HB3 LYS 96 lone 1 96 - 1 - HD2 LYS 17 - HB3 LYS 96 lone 1 100 - 1 - HB ILE 54 - HB3 LYS 96 lone 0 100 - 0 - Peak 6098 from cnoeabs.peaks (1.68, 1.97, 32.07 ppm; 2.71 A): 2 out of 20 assignments used, quality = 0.98: HD2 LYS 96 + HB3 LYS 96 OK 85 100 - 85 - 3.4=48, 6117/2.9=5...(36) * HD3 LYS 96 + HB3 LYS 96 OK 85 100 - 85 - 3.4=48, 6117/2.9=5...(35) HD2 LYS 44 - HB3 LYS 96 OK 30 65 - 46 - 3.0/6100=2, 3.0/6099=2...(18) HG3 ARG 95 - HB3 LYS 96 OK 21 97 - 21 - 7792/4.1=4, 6049/1.8=3...(9) HD3 LYS 73 - HB3 LYS 96 OK 18 100 - 18 - 6134=2, 1.8/6134=1 HD2 LYS 73 - HB3 LYS 96 OK 18 100 - 18 - 6134=2, 1.8/6134=1 HD3 LYS 20 - HB3 LYS 96 OK 17 99 - 17 - 6134=1, 1.8/6134=1 HD2 LYS 20 - HB3 LYS 96 OK 16 99 - 17 - 6134=1, 1.8/6134=1 HD2 LYS 43 - HB3 LYS 96 OK 15 99 - 15 - 6124=1, 1.8/6134=1 HD3 LYS 43 - HB3 LYS 96 OK 14 100 - 14 - 6134=1, 1.8/6124=1 HD3 LYS 40 - HB3 LYS 96 OK 11 100 - 11 - 6.2/6091=1, 6077/3.0=1 HD2 LYS 40 - HB3 LYS 96 OK 11 100 - 11 - 6.2/6091=1, 6077/3.0=1 HG3 LYS 39 - HB3 LYS 96 poor 9 73 - 12 - 4.9/7797=3, 7476/4.1=2 HD2 LYS 16 - HB3 LYS 96 lone 3 100 - 3 - HG3 LYS 123 - HB3 LYS 96 lone 3 73 - 4 - HD3 LYS 16 - HB3 LYS 96 lone 3 98 - 3 - HG12 ILE 71 - HB3 LYS 96 lone 2 90 - 2 - HB ILE 56 - HB3 LYS 96 lone 1 98 - 1 - HD2 LYS 17 - HB3 LYS 96 lone 1 100 - 1 - HB ILE 54 - HB3 LYS 96 lone 0 100 - 0 - Peak 6099 from cnoeabs.peaks (2.93, 1.97, 32.07 ppm; 4.18 A): 4 out of 9 assignments used, quality = 1.00: * HE2 LYS 96 + HB3 LYS 96 OK 97 100 - 97 - 4.9=62, 3.0/6097=11...(75) HE3 LYS 96 + HB3 LYS 96 OK 97 100 - 97 - 4.9=62, 3.0/6097=11...(75) HE3 LYS 44 + HB3 LYS 96 OK 79 100 - 79 - 6154=9, 1.8/6154=7...(66) HE2 LYS 44 + HB3 LYS 96 OK 79 100 - 79 - 6154=9, 1.8/6154=7...(66) HE3 LYS 65 - HB3 LYS 96 OK 15 81 - 18 - 6144=1, 1.8/6154=1 HE2 LYS 65 - HB3 LYS 96 OK 15 81 - 18 - 6144=1, 1.8/6154=1 HE3 LYS 94 - HB3 LYS 96 lone 4 84 - 5 - 6079/3.0=1 HD3 ARG 30 - HB3 LYS 96 lone 1 100 - 1 - HB2 ASP 86 - HB3 LYS 96 lone 1 100 - 1 - Peak 6100 from cnoeabs.peaks (2.93, 1.97, 32.07 ppm; 4.18 A): 4 out of 9 assignments used, quality = 1.00: HE2 LYS 96 + HB3 LYS 96 OK 97 100 - 97 - 4.9=62, 3.0/6097=11...(75) * HE3 LYS 96 + HB3 LYS 96 OK 97 100 - 97 - 4.9=62, 3.0/6097=11...(75) HE3 LYS 44 + HB3 LYS 96 OK 79 100 - 79 - 6154=9, 1.8/6154=7...(66) HE2 LYS 44 + HB3 LYS 96 OK 79 100 - 79 - 6154=9, 1.8/6154=7...(66) HE3 LYS 65 - HB3 LYS 96 OK 15 81 - 18 - 6144=1, 1.8/6154=1 HE2 LYS 65 - HB3 LYS 96 OK 15 81 - 18 - 6144=1, 1.8/6154=1 HE3 LYS 94 - HB3 LYS 96 lone 4 84 - 5 - 6079/3.0=1 HD3 ARG 30 - HB3 LYS 96 lone 1 100 - 1 - HB2 ASP 86 - HB3 LYS 96 lone 1 100 - 1 - Peak 6101 from cnoeabs.peaks (7.79, 1.44, 24.91 ppm; 4.24 A): 3 out of 6 assignments used, quality = 0.99: * H LYS 96 + HG2 LYS 96 OK 93 100 - 93 - 5.1=59, 6091/2.9=26...(24) H LYS 96 + HG3 LYS 44 OK 60 100 - 60 - 1640/1.8=11, 1639=11...(23) H LYS 40 + HG2 LYS 96 OK 59 97 - 61 - 6091/2.9=14, 2040/4.0=14...(17) H LYS 40 - HG3 LYS 44 OK 25 96 - 26 - 2040/4.2=5, 6111/1.8=3...(11) H GLU 66 - HG2 LYS 96 lone 3 70 - 4 - H GLU 66 - HG3 LYS 44 lone 1 69 - 2 - Peak 6102 from cnoeabs.peaks (4.07, 1.44, 24.91 ppm; 3.43 A): 4 out of 16 assignments used, quality = 1.00: * HA LYS 96 + HG2 LYS 96 OK 92 100 - 92 - 4.0=65, 6076/1.8=18...(31) HA LYS 44 + HG3 LYS 44 OK 89 99 - 90 - 4.2=56, 3904/1.8=13...(34) HA LYS 96 + HG3 LYS 44 OK 56 100 - 57 - 6075=13, 6076/1.8=9...(20) HA LYS 44 + HG2 LYS 96 OK 54 99 - 54 - 3905=11, 3.0/1287=7...(15) HA GLU 69 - HG3 LYS 44 lone 5 91 - 5 - 3905=1 HA3 GLY 125 - HG2 LYS 96 lone 4 100 - 4 - HA2 GLY 125 - HG2 LYS 96 lone 3 84 - 4 - HA GLU 91 - HG2 LYS 96 lone 3 96 - 3 - HA3 GLY 125 - HG3 LYS 44 lone 3 100 - 3 - HA GLU 69 - HG2 LYS 96 lone 2 92 - 3 - HA2 GLY 125 - HG3 LYS 44 lone 2 83 - 3 - HA GLU 37 - HG2 LYS 96 lone 2 98 - 2 - HA GLU 91 - HG3 LYS 44 lone 2 95 - 2 - HA SER 35 - HG2 LYS 96 lone 2 61 - 3 - 8033/5.0=1 HA GLU 37 - HG3 LYS 44 lone 1 98 - 1 - HA SER 35 - HG3 LYS 44 lone 1 61 - 1 - Peak 6103 from cnoeabs.peaks (1.90, 1.44, 24.91 ppm; 3.00 A): 3 out of 3 assignments used, quality = 1.00: * HB2 LYS 96 + HG2 LYS 96 OK 100 100 - 100 - 2.9=100 HB3 LYS 44 + HG3 LYS 44 OK 98 98 - 100 - 2.9=100 HB2 LYS 44 + HG3 LYS 44 OK 91 91 - 100 - 2.9=100 Peak 6104 from cnoeabs.peaks (1.97, 1.44, 24.91 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 96 + HG2 LYS 96 OK 100 100 - 100 - 2.9=100 Peak 6105 from cnoeabs.peaks (1.44, 1.44, 24.91 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 96 + HG2 LYS 96 OK 100 100 - 100 HG3 LYS 44 + HG3 LYS 44 OK 100 100 - 100 Peak 6106 from cnoeabs.peaks (1.57, 1.44, 24.91 ppm; 2.40 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 96 + HG2 LYS 96 OK 100 100 - 100 - 1.8=100 HG2 LYS 44 + HG3 LYS 44 OK 86 86 - 100 - 1.8=100 Peak 6107 from cnoeabs.peaks (1.68, 1.44, 24.91 ppm; 2.59 A): 2 out of 38 assignments used, quality = 0.98: * HD2 LYS 96 + HG2 LYS 96 OK 87 100 - 87 - 3.0=66, 6117/1.8=7...(27) HD3 LYS 96 + HG2 LYS 96 OK 86 100 - 86 - 3.0=66, 6117/1.8=7...(26) HD2 LYS 96 - HG3 LYS 44 OK 36 100 - 36 - 6125=4, 1.8/6125=2...(9) HD3 LYS 96 - HG3 LYS 44 OK 35 100 - 36 - 6125=4, 1.8/6125=3...(9) HD3 LYS 73 - HG2 LYS 96 OK 15 100 - 15 - 6125=2, 6117/1.8=1, 6097/2.9=1 HD2 LYS 73 - HG2 LYS 96 OK 14 99 - 15 - 6135=2, 6117/1.8=1, 6097/2.9=1 HD3 LYS 20 - HG2 LYS 96 OK 14 98 - 14 - 6135=1, 6117/1.8=1 HD2 LYS 20 - HG2 LYS 96 OK 13 97 - 14 - 6135=1, 6117/1.8=1 HD2 LYS 43 - HG2 LYS 96 OK 13 100 - 13 - 6125=1, 6117/1.8=1 HD3 LYS 43 - HG2 LYS 96 OK 12 100 - 12 - 6125=1 HG3 ARG 95 - HG2 LYS 96 OK 12 99 - 12 - 7792/5.1=3, 6049/2.9=2...(4) HD3 LYS 40 - HG2 LYS 96 lone 8 100 - 8 - HD2 LYS 40 - HG2 LYS 96 lone 8 100 - 8 - HD2 LYS 43 - HG3 LYS 44 lone 7 100 - 7 - HD3 LYS 43 - HG3 LYS 44 lone 7 99 - 7 - HD3 LYS 73 - HG3 LYS 44 lone 7 99 - 7 - HD2 LYS 73 - HG3 LYS 44 lone 7 99 - 7 - HG3 LYS 39 - HG2 LYS 96 lone 5 65 - 8 - 4.9/7798=1 HG3 ARG 95 - HG3 LYS 44 lone 4 98 - 4 - HG3 LYS 39 - HG3 LYS 44 lone 4 65 - 6 - HG3 LYS 123 - HG3 LYS 44 lone 4 65 - 6 - HD2 LYS 16 - HG2 LYS 96 lone 3 99 - 3 - HD3 LYS 20 - HG3 LYS 44 lone 3 98 - 3 - HD3 LYS 16 - HG2 LYS 96 lone 3 96 - 3 - HD2 LYS 20 - HG3 LYS 44 lone 3 96 - 3 - HG12 ILE 71 - HG2 LYS 96 lone 2 84 - 3 - HG3 LYS 123 - HG2 LYS 96 lone 2 65 - 2 - HD2 LYS 16 - HG3 LYS 44 lone 1 98 - 1 - HD3 LYS 40 - HG3 LYS 44 lone 1 100 - 1 - HD3 LYS 16 - HG3 LYS 44 lone 1 95 - 1 - HD2 LYS 40 - HG3 LYS 44 lone 1 100 - 1 - HD2 LYS 17 - HG2 LYS 96 lone 1 100 - 1 - HD2 LYS 17 - HG3 LYS 44 lone 1 100 - 1 - HB ILE 56 - HG2 LYS 96 lone 1 96 - 1 - HG12 ILE 71 - HG3 LYS 44 lone 1 83 - 1 - HB ILE 54 - HG2 LYS 96 lone 1 100 - 1 - HB ILE 54 - HG3 LYS 44 lone 0 100 - 0 - HB ILE 56 - HG3 LYS 44 lone 0 95 - 0 - Peak 6108 from cnoeabs.peaks (1.68, 1.44, 24.91 ppm; 2.59 A): 3 out of 40 assignments used, quality = 0.99: HD2 LYS 96 + HG2 LYS 96 OK 87 100 - 87 - 3.0=66, 6117/1.8=7...(27) * HD3 LYS 96 + HG2 LYS 96 OK 86 100 - 86 - 3.0=66, 6117/1.8=7...(26) HD2 LYS 44 + HG3 LYS 44 OK 55 65 - 85 - 2.9=68, 1.8/3955=7...(21) HD2 LYS 96 - HG3 LYS 44 OK 36 100 - 36 - 6125=4, 1.8/6125=2...(9) HD3 LYS 96 - HG3 LYS 44 OK 36 100 - 36 - 6125=4, 1.8/6125=3...(9) HD2 LYS 44 - HG2 LYS 96 OK 25 65 - 39 - 1.8/3955=3, 3955=3...(13) HD3 LYS 73 - HG2 LYS 96 OK 15 100 - 15 - 6125=2, 6117/1.8=1, 6097/2.9=1 HD2 LYS 73 - HG2 LYS 96 OK 15 100 - 15 - 6135=2, 6117/1.8=1, 6097/2.9=1 HD3 LYS 20 - HG2 LYS 96 OK 14 99 - 14 - 6135=1, 6117/1.8=1 HD2 LYS 20 - HG2 LYS 96 OK 14 99 - 14 - 6135=1, 6117/1.8=1 HD2 LYS 43 - HG2 LYS 96 OK 12 99 - 13 - 6125=1, 6117/1.8=1 HD3 LYS 43 - HG2 LYS 96 OK 12 100 - 12 - 6125=1 HG3 ARG 95 - HG2 LYS 96 OK 12 97 - 12 - 7792/5.1=3, 6049/2.9=2...(4) HD3 LYS 40 - HG2 LYS 96 lone 8 100 - 8 - HD2 LYS 40 - HG2 LYS 96 lone 7 100 - 8 - HD2 LYS 43 - HG3 LYS 44 lone 7 99 - 7 - HD3 LYS 43 - HG3 LYS 44 lone 7 100 - 7 - HD2 LYS 73 - HG3 LYS 44 lone 7 100 - 7 - HD3 LYS 73 - HG3 LYS 44 lone 7 100 - 7 - HG3 LYS 39 - HG2 LYS 96 lone 6 73 - 9 - 4.9/7798=1, 7476/5.1=1 HG3 LYS 39 - HG3 LYS 44 lone 4 73 - 6 - HG3 LYS 123 - HG3 LYS 44 lone 4 73 - 6 - HG3 ARG 95 - HG3 LYS 44 lone 4 96 - 4 - HD2 LYS 16 - HG2 LYS 96 lone 3 100 - 3 - HD3 LYS 16 - HG2 LYS 96 lone 3 98 - 3 - HD3 LYS 20 - HG3 LYS 44 lone 3 99 - 3 - HD2 LYS 20 - HG3 LYS 44 lone 3 98 - 3 - HG12 ILE 71 - HG2 LYS 96 lone 2 90 - 3 - HG3 LYS 123 - HG2 LYS 96 lone 2 73 - 2 - HD2 LYS 16 - HG3 LYS 44 lone 1 99 - 1 - HD3 LYS 16 - HG3 LYS 44 lone 1 98 - 1 - HD2 LYS 40 - HG3 LYS 44 lone 1 100 - 1 - HD3 LYS 40 - HG3 LYS 44 lone 1 100 - 1 - HD2 LYS 17 - HG2 LYS 96 lone 1 100 - 1 - HD2 LYS 17 - HG3 LYS 44 lone 1 100 - 1 - HB ILE 56 - HG2 LYS 96 lone 1 98 - 1 - HG12 ILE 71 - HG3 LYS 44 lone 1 89 - 1 - HB ILE 54 - HG2 LYS 96 lone 1 100 - 1 - HB ILE 54 - HG3 LYS 44 lone 0 100 - 0 - HB ILE 56 - HG3 LYS 44 lone 0 98 - 0 - Peak 6109 from cnoeabs.peaks (2.93, 1.44, 24.91 ppm; 3.51 A): 8 out of 18 assignments used, quality = 1.00: * HE2 LYS 96 + HG2 LYS 96 OK 96 100 - 96 - 3.8=79, 3.0/6107=7...(52) HE3 LYS 96 + HG2 LYS 96 OK 96 100 - 96 - 3.8=79, 3.0/6107=7...(52) HE3 LYS 44 + HG3 LYS 44 OK 96 100 - 96 - 3.7=82, 3.0/3955=8...(50) HE2 LYS 44 + HG3 LYS 44 OK 96 100 - 96 - 3.7=82, 3.0/3955=8...(50) HE3 LYS 44 + HG2 LYS 96 OK 64 100 - 65 - 3985=4, 6099/2.9=4...(37) HE2 LYS 44 + HG2 LYS 96 OK 64 100 - 65 - 3985=4, 6099/2.9=4...(37) HE2 LYS 96 + HG3 LYS 44 OK 53 100 - 53 - 3975=4, 3939/1.8=3...(29) HE3 LYS 96 + HG3 LYS 44 OK 53 100 - 53 - 3975=4, 3939/1.8=3...(29) HE3 LYS 65 - HG2 LYS 96 OK 11 81 - 13 - HE2 LYS 65 - HG2 LYS 96 OK 11 81 - 13 - HE3 LYS 94 - HG2 LYS 96 lone 3 84 - 3 - HE3 LYS 65 - HG3 LYS 44 lone 2 80 - 3 - HE2 LYS 65 - HG3 LYS 44 lone 2 80 - 3 - HE3 LYS 94 - HG3 LYS 44 lone 2 83 - 2 - HD3 ARG 30 - HG2 LYS 96 lone 1 100 - 1 - HD3 ARG 30 - HG3 LYS 44 lone 1 99 - 1 - HB2 ASP 86 - HG3 LYS 44 lone 1 99 - 1 - HB2 ASP 86 - HG2 LYS 96 lone 1 100 - 1 - Peak 6110 from cnoeabs.peaks (2.93, 1.44, 24.91 ppm; 3.51 A): 8 out of 18 assignments used, quality = 1.00: HE2 LYS 96 + HG2 LYS 96 OK 96 100 - 96 - 3.8=79, 3.0/6107=7...(52) * HE3 LYS 96 + HG2 LYS 96 OK 96 100 - 96 - 3.8=79, 3.0/6107=7...(52) HE3 LYS 44 + HG3 LYS 44 OK 96 100 - 96 - 3.7=82, 3.0/3955=8...(50) HE2 LYS 44 + HG3 LYS 44 OK 96 100 - 96 - 3.7=82, 3.0/3955=8...(50) HE3 LYS 44 + HG2 LYS 96 OK 64 100 - 65 - 3985=4, 6099/2.9=4...(37) HE2 LYS 44 + HG2 LYS 96 OK 64 100 - 65 - 3985=4, 6099/2.9=4...(37) HE2 LYS 96 + HG3 LYS 44 OK 53 100 - 53 - 3975=4, 3939/1.8=3...(29) HE3 LYS 96 + HG3 LYS 44 OK 53 100 - 53 - 3975=4, 3939/1.8=3...(29) HE3 LYS 65 - HG2 LYS 96 OK 11 81 - 13 - HE2 LYS 65 - HG2 LYS 96 OK 11 81 - 13 - HE3 LYS 94 - HG2 LYS 96 lone 3 84 - 3 - HE3 LYS 65 - HG3 LYS 44 lone 2 80 - 3 - HE2 LYS 65 - HG3 LYS 44 lone 2 80 - 3 - HE3 LYS 94 - HG3 LYS 44 lone 2 83 - 2 - HD3 ARG 30 - HG2 LYS 96 lone 1 100 - 1 - HD3 ARG 30 - HG3 LYS 44 lone 1 99 - 1 - HB2 ASP 86 - HG3 LYS 44 lone 1 99 - 1 - HB2 ASP 86 - HG2 LYS 96 lone 1 100 - 1 - Peak 6111 from cnoeabs.peaks (7.79, 1.57, 24.91 ppm; 4.03 A): 3 out of 9 assignments used, quality = 0.97: * H LYS 96 + HG3 LYS 96 OK 89 100 - 89 - 5.1=50, 6091/2.9=24...(23) H LYS 40 + HG3 LYS 96 OK 52 97 - 53 - 6091/2.9=14, 2040/4.0=13...(12) H LYS 96 + HG2 LYS 44 OK 40 73 - 55 - 1640=13, 6101/1.8=9...(19) H LYS 40 - HG2 LYS 44 OK 14 68 - 21 - 2040/4.2=5, 6101/1.8=4...(7) H GLU 66 - HG2 LYS 115 OK 10 54 - 19 - 3.6/6730=4, 402=3...(8) H LYS 96 - HG2 LYS 115 lone 4 87 - 4 - 1640=1 H GLU 66 - HG3 LYS 96 lone 3 70 - 4 - H LYS 40 - HG2 LYS 115 lone 3 81 - 3 - H GLU 66 - HG2 LYS 44 lone 1 44 - 2 - Peak 6112 from cnoeabs.peaks (4.07, 1.57, 24.91 ppm; 3.69 A): 3 out of 24 assignments used, quality = 1.00: * HA LYS 96 + HG3 LYS 96 OK 97 100 - 97 - 4.0=81, 6075/1.8=18...(30) HA LYS 44 + HG2 LYS 44 OK 67 71 - 94 - 4.2=70, 3905/1.8=17...(33) HA LYS 44 + HG3 LYS 96 OK 56 99 - 57 - 3905/1.8=10, 3904=7...(23) HA LYS 96 - HG2 LYS 44 OK 44 73 - 60 - 6076=12, 6075/1.8=11...(24) HA3 GLY 125 - HG3 LYS 96 lone 5 100 - 4 - HA LYS 96 - HG2 LYS 115 lone 4 87 - 5 - HA2 GLY 125 - HG3 LYS 96 lone 4 84 - 5 - HA GLU 69 - HG2 LYS 44 lone 4 62 - 6 - HA GLU 69 - HG3 LYS 96 lone 3 92 - 4 - HA GLU 91 - HG3 LYS 96 lone 3 96 - 3 - HA GLU 37 - HG3 LYS 96 lone 3 98 - 3 - HA GLU 69 - HG2 LYS 115 lone 3 75 - 4 - HA3 GLY 125 - HG2 LYS 44 lone 2 73 - 3 - HA SER 35 - HG3 LYS 96 lone 2 61 - 3 - 8033/5.0=1 HA2 GLY 125 - HG2 LYS 44 lone 2 55 - 3 - HA GLU 91 - HG2 LYS 44 lone 2 66 - 2 - HA GLU 37 - HG2 LYS 115 lone 1 83 - 1 - HA GLU 37 - HG2 LYS 44 lone 1 69 - 1 - HA LYS 44 - HG2 LYS 115 lone 1 85 - 1 - HA GLU 91 - HG2 LYS 115 lone 1 79 - 1 - HA3 GLY 125 - HG2 LYS 115 lone 0 86 - 1 - HA SER 35 - HG2 LYS 44 lone 0 38 - 1 - HA2 GLY 125 - HG2 LYS 115 lone 0 67 - 1 - HA SER 35 - HG2 LYS 115 lone 0 47 - 1 - Peak 6113 from cnoeabs.peaks (1.90, 1.57, 24.91 ppm; 2.91 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 96 + HG3 LYS 96 OK 100 100 - 100 - 2.9=100 Peak 6114 from cnoeabs.peaks (1.97, 1.57, 24.91 ppm; 3.19 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 96 + HG3 LYS 96 OK 100 100 - 100 - 2.9=100 Peak 6115 from cnoeabs.peaks (1.44, 1.57, 24.91 ppm; 2.44 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 96 + HG3 LYS 96 OK 100 100 - 100 - 1.8=100 HG3 LYS 44 + HG2 LYS 44 OK 73 73 - 100 - 1.8=100 Peak 6116 from cnoeabs.peaks (1.57, 1.57, 24.91 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG3 LYS 96 + HG3 LYS 96 OK 100 100 - 100 HG2 LYS 115 + HG2 LYS 115 OK 77 77 - 100 HG2 LYS 44 + HG2 LYS 44 OK 57 57 - 100 Peak 6117 from cnoeabs.peaks (1.68, 1.57, 24.91 ppm; 2.47 A): 2 out of 57 assignments used, quality = 0.96: * HD2 LYS 96 + HG3 LYS 96 OK 81 100 - 81 - 3.0=57, 1.8/6126=7...(18) HD3 LYS 96 + HG3 LYS 96 OK 81 100 - 81 - 3.0=57, 1.8/6126=7...(17) HD2 LYS 96 - HG2 LYS 44 OK 23 73 - 31 - 6126=3, 6107/1.8=2...(8) HD3 LYS 96 - HG2 LYS 44 OK 22 73 - 31 - 6126=3, 6107/1.8=2...(8) HD3 LYS 73 - HG3 LYS 96 OK 13 100 - 13 - 6126=2, 1.8/6136=1 HD2 LYS 73 - HG3 LYS 96 OK 13 99 - 13 - 6136=2, 1.8/6126=1 HD3 LYS 20 - HG3 LYS 96 OK 12 98 - 13 - 6136=2 HD2 LYS 20 - HG3 LYS 96 OK 12 97 - 13 - 6136=2 HD2 LYS 43 - HG3 LYS 96 OK 11 100 - 11 - 6126=1 HD3 LYS 43 - HG3 LYS 96 OK 11 100 - 11 - 6126=1 HG3 ARG 95 - HG3 LYS 96 OK 10 99 - 10 - 7792/5.1=2, 6049/2.9=2 HD3 LYS 40 - HG3 LYS 96 lone 7 100 - 7 - HD2 LYS 40 - HG3 LYS 96 lone 6 100 - 6 - HD2 LYS 43 - HG2 LYS 44 lone 4 73 - 6 - HG3 LYS 39 - HG3 LYS 96 lone 4 65 - 6 - 4.9/7799=1 HD3 LYS 73 - HG2 LYS 44 lone 4 72 - 5 - HD3 LYS 43 - HG2 LYS 44 lone 4 72 - 5 - HD2 LYS 73 - HG2 LYS 44 lone 4 71 - 5 - HG3 LYS 123 - HG2 LYS 44 lone 3 41 - 7 - HD2 LYS 16 - HG3 LYS 96 lone 2 99 - 2 - HG3 ARG 95 - HG2 LYS 44 lone 2 70 - 3 - HD3 LYS 16 - HG3 LYS 96 lone 2 96 - 2 - HG12 ILE 71 - HG3 LYS 96 lone 2 84 - 2 - HD2 LYS 16 - HG2 LYS 115 lone 2 84 - 2 - HG3 LYS 39 - HG2 LYS 44 lone 2 41 - 5 - HD3 LYS 16 - HG2 LYS 115 lone 2 79 - 2 - HD2 LYS 17 - HG2 LYS 115 lone 2 87 - 2 - HG3 LYS 123 - HG3 LYS 96 lone 2 65 - 2 - HG3 LYS 123 - HG2 LYS 115 lone 2 50 - 3 - HD3 LYS 20 - HG2 LYS 44 lone 2 69 - 2 - HD2 LYS 20 - HG2 LYS 44 lone 2 68 - 2 - HG12 ILE 71 - HG2 LYS 115 lone 1 67 - 1 - HB ILE 56 - HG3 LYS 96 lone 1 96 - 1 - HD2 LYS 96 - HG2 LYS 115 lone 1 87 - 1 - HD3 LYS 96 - HG2 LYS 115 lone 1 86 - 1 - HD2 LYS 17 - HG3 LYS 96 lone 1 100 - 1 - HD2 LYS 16 - HG2 LYS 44 lone 1 70 - 1 - HD3 LYS 16 - HG2 LYS 44 lone 1 66 - 1 - HD3 LYS 40 - HG2 LYS 44 lone 1 73 - 1 - HD2 LYS 40 - HG2 LYS 44 lone 1 73 - 1 - HD2 LYS 17 - HG2 LYS 44 lone 1 73 - 1 - HG12 ILE 71 - HG2 LYS 44 lone 0 55 - 1 - HD2 LYS 40 - HG2 LYS 115 lone 0 87 - 0 - HD3 LYS 40 - HG2 LYS 115 lone 0 87 - 0 - HD3 LYS 20 - HG2 LYS 115 lone 0 83 - 1 - HD2 LYS 20 - HG2 LYS 115 lone 0 81 - 1 - HB ILE 54 - HG3 LYS 96 lone 0 100 - 0 - HD3 LYS 73 - HG2 LYS 115 lone 0 86 - 0 - HD2 LYS 73 - HG2 LYS 115 lone 0 85 - 0 - HD3 LYS 43 - HG2 LYS 115 lone 0 86 - 0 - HD2 LYS 43 - HG2 LYS 115 lone 0 86 - 0 - HB ILE 56 - HG2 LYS 115 lone 0 79 - 0 - HB ILE 54 - HG2 LYS 115 lone 0 87 - 0 - HG3 ARG 95 - HG2 LYS 115 lone 0 84 - 0 - HB ILE 56 - HG2 LYS 44 lone 0 66 - 0 - HB ILE 54 - HG2 LYS 44 lone 0 73 - 0 - HG3 LYS 39 - HG2 LYS 115 lone 0 50 - 0 - Peak 6118 from cnoeabs.peaks (1.68, 1.57, 24.91 ppm; 2.47 A): 2 out of 60 assignments used, quality = 0.96: HD2 LYS 96 + HG3 LYS 96 OK 81 100 - 81 - 3.0=57, 1.8/6126=7...(18) * HD3 LYS 96 + HG3 LYS 96 OK 81 100 - 81 - 3.0=57, 1.8/6126=7...(17) HD2 LYS 44 - HG2 LYS 44 OK 32 41 - 79 - 2.9=59, 1.8/3954=7...(17) HD2 LYS 44 - HG3 LYS 96 OK 23 65 - 35 - 1.8/3954=3, 3954=2...(10) HD2 LYS 96 - HG2 LYS 44 OK 22 73 - 31 - 6126=3, 6107/1.8=2...(8) HD3 LYS 96 - HG2 LYS 44 OK 22 73 - 31 - 6126=3, 6107/1.8=2...(8) HD3 LYS 73 - HG3 LYS 96 OK 13 100 - 13 - 6126=2, 1.8/6136=1 HD2 LYS 73 - HG3 LYS 96 OK 13 100 - 13 - 6136=2, 1.8/6126=1 HD3 LYS 20 - HG3 LYS 96 OK 13 99 - 13 - 6136=2 HD2 LYS 20 - HG3 LYS 96 OK 12 99 - 13 - 6136=2 HD2 LYS 43 - HG3 LYS 96 OK 11 99 - 11 - 6126=1 HD3 LYS 43 - HG3 LYS 96 OK 11 100 - 11 - 6136=1 HG3 ARG 95 - HG3 LYS 96 poor 10 97 - 10 - 7792/5.1=2, 6049/2.9=2 HD3 LYS 40 - HG3 LYS 96 lone 7 100 - 7 - HD2 LYS 40 - HG3 LYS 96 lone 6 100 - 6 - HG3 LYS 39 - HG3 LYS 96 lone 5 73 - 7 - 4.9/7799=1, 7476/5.1=1 HD2 LYS 43 - HG2 LYS 44 lone 4 71 - 6 - HD3 LYS 43 - HG2 LYS 44 lone 4 73 - 5 - HD3 LYS 73 - HG2 LYS 44 lone 4 73 - 5 - HD2 LYS 73 - HG2 LYS 44 lone 4 73 - 5 - HG3 LYS 123 - HG2 LYS 44 lone 3 46 - 7 - HD2 LYS 16 - HG3 LYS 96 lone 3 100 - 2 - HD3 LYS 16 - HG3 LYS 96 lone 2 98 - 2 - HG3 LYS 39 - HG2 LYS 44 lone 2 46 - 5 - HG12 ILE 71 - HG3 LYS 96 lone 2 90 - 2 - HG3 ARG 95 - HG2 LYS 44 lone 2 68 - 3 - HD2 LYS 16 - HG2 LYS 115 lone 2 86 - 2 - HD3 LYS 16 - HG2 LYS 115 lone 2 83 - 2 - HG3 LYS 123 - HG2 LYS 115 lone 2 57 - 3 - HG3 LYS 123 - HG3 LYS 96 lone 2 73 - 2 - HD2 LYS 17 - HG2 LYS 115 lone 2 86 - 2 - HD3 LYS 20 - HG2 LYS 44 lone 2 71 - 2 - HD2 LYS 20 - HG2 LYS 44 lone 2 70 - 2 - HG12 ILE 71 - HG2 LYS 115 lone 1 72 - 1 - HB ILE 56 - HG3 LYS 96 lone 1 98 - 1 - HD2 LYS 16 - HG2 LYS 44 lone 1 72 - 1 - HD3 LYS 96 - HG2 LYS 115 lone 1 87 - 1 - HD2 LYS 96 - HG2 LYS 115 lone 1 86 - 1 - HD2 LYS 17 - HG3 LYS 96 lone 1 100 - 1 - HD3 LYS 16 - HG2 LYS 44 lone 1 69 - 1 - HD3 LYS 40 - HG2 LYS 44 lone 1 73 - 1 - HD2 LYS 40 - HG2 LYS 44 lone 1 73 - 1 - HD2 LYS 17 - HG2 LYS 44 lone 1 73 - 1 - HG12 ILE 71 - HG2 LYS 44 lone 1 60 - 1 - HD3 LYS 20 - HG2 LYS 115 lone 0 85 - 1 - HD2 LYS 20 - HG2 LYS 115 lone 0 84 - 1 - HD2 LYS 40 - HG2 LYS 115 lone 0 87 - 0 - HD3 LYS 40 - HG2 LYS 115 lone 0 86 - 0 - HB ILE 54 - HG3 LYS 96 lone 0 100 - 0 - HD2 LYS 73 - HG2 LYS 115 lone 0 86 - 0 - HD3 LYS 73 - HG2 LYS 115 lone 0 87 - 0 - HD3 LYS 43 - HG2 LYS 115 lone 0 87 - 0 - HD2 LYS 43 - HG2 LYS 115 lone 0 85 - 0 - HB ILE 56 - HG2 LYS 115 lone 0 83 - 0 - HG3 LYS 39 - HG2 LYS 115 lone 0 57 - 0 - HB ILE 56 - HG2 LYS 44 lone 0 69 - 0 - HB ILE 54 - HG2 LYS 115 lone 0 87 - 0 - HB ILE 54 - HG2 LYS 44 lone 0 73 - 0 - HG3 ARG 95 - HG2 LYS 115 lone 0 81 - 0 - HD2 LYS 44 - HG2 LYS 115 lone 0 50 - 0 - Peak 6119 from cnoeabs.peaks (2.93, 1.57, 24.91 ppm; 3.44 A): 6 out of 27 assignments used, quality = 1.00: * HE2 LYS 96 + HG3 LYS 96 OK 95 100 - 95 - 3.8=75, 3.0/6117=8...(52) HE3 LYS 96 + HG3 LYS 96 OK 95 100 - 95 - 3.8=75, 3.0/6117=8...(52) HE3 LYS 44 + HG2 LYS 44 OK 69 73 - 94 - 3.7=78, 3.0/3954=8...(50) HE2 LYS 44 + HG2 LYS 44 OK 69 73 - 94 - 3.7=78, 3.0/3954=8...(50) HE3 LYS 44 + HG3 LYS 96 OK 63 100 - 63 - 6156=4, 6099/2.9=4...(32) HE2 LYS 44 + HG3 LYS 96 OK 63 100 - 63 - 6156=4, 6099/2.9=4...(32) HE3 LYS 96 - HG2 LYS 44 OK 36 73 - 50 - 6146=3, 3985/1.8=3...(25) HE2 LYS 96 - HG2 LYS 44 OK 36 73 - 50 - 6156=3, 3985/1.8=3...(25) HE2 LYS 65 - HG2 LYS 115 OK 20 64 - 32 - ~6784=3, ~6774=3...(7) HE3 LYS 65 - HG2 LYS 115 OK 20 64 - 32 - ~6784=3, ~6774=3...(7) HE3 LYS 65 - HG3 LYS 96 poor 10 81 - 12 - HE2 LYS 65 - HG3 LYS 96 poor 10 81 - 12 - HE3 LYS 94 - HG3 LYS 96 lone 3 84 - 3 - HE3 LYS 94 - HG2 LYS 115 lone 2 67 - 3 - HE3 LYS 65 - HG2 LYS 44 lone 2 52 - 3 - HE2 LYS 65 - HG2 LYS 44 lone 2 52 - 3 - HE3 LYS 94 - HG2 LYS 44 lone 1 55 - 2 - HE2 LYS 96 - HG2 LYS 115 lone 1 87 - 1 - HE3 LYS 96 - HG2 LYS 115 lone 1 87 - 1 - HD3 ARG 30 - HG3 LYS 96 lone 1 100 - 1 - HE2 LYS 44 - HG2 LYS 115 lone 1 87 - 1 - HE3 LYS 44 - HG2 LYS 115 lone 1 87 - 1 - HB2 ASP 86 - HG3 LYS 96 lone 1 100 - 1 - HD3 ARG 30 - HG2 LYS 44 lone 0 72 - 1 - HB2 ASP 86 - HG2 LYS 115 lone 0 86 - 1 - HB2 ASP 86 - HG2 LYS 44 lone 0 72 - 1 - HD3 ARG 30 - HG2 LYS 115 lone 0 86 - 0 - Peak 6120 from cnoeabs.peaks (2.93, 1.57, 24.91 ppm; 3.44 A): 6 out of 27 assignments used, quality = 1.00: HE2 LYS 96 + HG3 LYS 96 OK 95 100 - 95 - 3.8=75, 3.0/6117=8...(52) * HE3 LYS 96 + HG3 LYS 96 OK 95 100 - 95 - 3.8=75, 3.0/6117=8...(52) HE3 LYS 44 + HG2 LYS 44 OK 69 73 - 94 - 3.7=78, 3.0/3954=8...(50) HE2 LYS 44 + HG2 LYS 44 OK 69 73 - 94 - 3.7=78, 3.0/3954=8...(50) HE3 LYS 44 + HG3 LYS 96 OK 63 100 - 63 - 6156=4, 6099/2.9=4...(32) HE2 LYS 44 + HG3 LYS 96 OK 63 100 - 63 - 6156=4, 6099/2.9=4...(32) HE3 LYS 96 - HG2 LYS 44 OK 36 73 - 50 - 6146=3, 3985/1.8=3...(25) HE2 LYS 96 - HG2 LYS 44 OK 36 73 - 50 - 6156=3, 3985/1.8=3...(25) HE2 LYS 65 - HG2 LYS 115 OK 20 64 - 32 - ~6784=3, ~6774=3...(7) HE3 LYS 65 - HG2 LYS 115 OK 20 64 - 32 - ~6784=3, ~6774=3...(7) HE3 LYS 65 - HG3 LYS 96 poor 10 81 - 12 - HE2 LYS 65 - HG3 LYS 96 poor 10 81 - 12 - HE3 LYS 94 - HG3 LYS 96 lone 3 84 - 3 - HE3 LYS 94 - HG2 LYS 115 lone 2 67 - 3 - HE3 LYS 65 - HG2 LYS 44 lone 2 52 - 3 - HE2 LYS 65 - HG2 LYS 44 lone 2 52 - 3 - HE3 LYS 94 - HG2 LYS 44 lone 1 55 - 2 - HE2 LYS 96 - HG2 LYS 115 lone 1 87 - 1 - HE3 LYS 96 - HG2 LYS 115 lone 1 87 - 1 - HD3 ARG 30 - HG3 LYS 96 lone 1 100 - 1 - HE2 LYS 44 - HG2 LYS 115 lone 1 87 - 1 - HE3 LYS 44 - HG2 LYS 115 lone 1 87 - 1 - HB2 ASP 86 - HG3 LYS 96 lone 1 100 - 1 - HD3 ARG 30 - HG2 LYS 44 lone 0 72 - 1 - HB2 ASP 86 - HG2 LYS 115 lone 0 86 - 1 - HB2 ASP 86 - HG2 LYS 44 lone 0 72 - 1 - HD3 ARG 30 - HG2 LYS 115 lone 0 86 - 0 - Peak 6121 from cnoeabs.peaks (7.79, 1.68, 28.89 ppm; 4.48 A): 4 out of 27 assignments used, quality = 1.00: * H LYS 96 + HD2 LYS 96 OK 93 100 - 93 - 5.7=48, 6091/3.4=25...(32) H LYS 96 + HD3 LYS 96 OK 92 100 - 93 - 5.7=48, 6091/3.4=25...(32) H LYS 40 + HD2 LYS 96 OK 57 97 - 59 - 6091/3.4=14, 2040/5.3=10...(20) H LYS 40 + HD3 LYS 96 OK 57 96 - 59 - 6091/3.4=14, 2040/5.3=10...(20) H LYS 40 - HD3 LYS 43 OK 32 90 - 36 - 1253/2.9=6, ~3652=4...(17) H LYS 40 - HD2 LYS 43 OK 32 91 - 36 - 1253/2.9=6, ~3652=4...(17) H LYS 96 - HD2 LYS 43 OK 20 96 - 21 - 608=2, 4.1/6097=2...(8) H LYS 96 - HD3 LYS 43 OK 19 95 - 20 - 608=2, 608/1.8=2...(8) H LYS 96 - HD3 LYS 20 OK 19 90 - 21 - 607/3.4=2, 607/3.4=2...(9) H LYS 96 - HD3 LYS 73 OK 19 95 - 20 - 4.1/6097=2, 2.9/6077=2...(11) H LYS 96 - HD2 LYS 73 OK 19 94 - 20 - 4.1/6097=2, 2.9/6077=2...(11) H LYS 96 - HD2 LYS 20 OK 19 87 - 21 - 607/3.4=2, 607/3.4=2...(9) H LYS 40 - HD3 LYS 20 OK 16 84 - 19 - 4.0/3665=1, 3.0/3655=1...(8) H LYS 40 - HD2 LYS 20 OK 15 81 - 19 - 4.0/3664=1, 1257/3.0=1...(8) H LYS 40 - HD3 LYS 73 OK 12 90 - 13 - 4.0/3665=1 H LYS 40 - HD2 LYS 73 OK 12 88 - 13 - 4.0/3665=1 H GLU 66 - HD2 LYS 96 lone 3 70 - 4 - H GLU 66 - HD3 LYS 96 lone 3 69 - 4 - H LYS 96 - HG12 ILE 71 lone 2 50 - 4 - 2163/4.6=2 H GLU 66 - HD3 LYS 43 lone 1 62 - 2 - H GLU 66 - HD2 LYS 43 lone 1 63 - 2 - H GLU 66 - HD3 LYS 20 lone 1 57 - 2 - H GLU 66 - HD2 LYS 20 lone 1 54 - 2 - H GLU 66 - HD3 LYS 73 lone 1 62 - 1 - H GLU 66 - HD2 LYS 73 lone 1 60 - 1 - H GLU 66 - HG12 ILE 71 lone 1 28 - 3 - H LYS 40 - HG12 ILE 71 lone 1 45 - 2 - Peak 6122 from cnoeabs.peaks (4.07, 1.68, 28.89 ppm; 3.38 A): 4 out of 72 assignments used, quality = 0.99: * HA LYS 96 + HD2 LYS 96 OK 87 100 - 87 - 5.3=25, 6076/3.0=13...(39) HA LYS 96 + HD3 LYS 96 OK 87 100 - 87 - 5.3=25, 6076/3.0=13...(39) HA LYS 44 + HD2 LYS 96 OK 47 99 - 48 - 3905/3.0=7, 3904/3.0=5...(15) HA LYS 44 + HD3 LYS 96 OK 46 99 - 47 - 3905/3.0=7, 3904/3.0=5...(14) HA LYS 96 - HD3 LYS 73 OK 20 95 - 21 - 6077=2, 3.0/6097=2, 6077/1.8=2 HA LYS 96 - HD2 LYS 73 OK 20 94 - 21 - 6077=2, 3.0/6097=2, 6077/1.8=2 HA LYS 44 - HD2 LYS 43 OK 19 94 - 20 - ~256=5, ~7505=4...(7) HA LYS 96 - HD3 LYS 20 OK 18 90 - 20 - 6077=2, 3.0/6097=2, 6077/1.8=2 HA LYS 96 - HD2 LYS 43 OK 18 96 - 19 - 6077=2, 3.0/6097=1, 6077/1.8=1 HA LYS 96 - HD2 LYS 20 OK 18 87 - 20 - 6077=2, 3.0/6097=2, 6077/1.8=2 HA LYS 96 - HD3 LYS 43 OK 17 95 - 18 - 6077=2, 6077/1.8=1, 3.0/6097=1 HA LYS 44 - HD3 LYS 43 OK 17 94 - 18 - ~256=5, ~7505=4...(5) HA LYS 44 - HD3 LYS 73 OK 11 94 - 12 - 2127/6.4=2, 3904/3.0=1 HA LYS 44 - HD2 LYS 73 OK 11 92 - 12 - 2127/6.4=2, 3904/3.0=1 HA GLU 69 - HD3 LYS 73 OK 11 84 - 13 - 2127/6.4=3, 3.6/5183=2...(4) HA GLU 69 - HD2 LYS 73 OK 10 82 - 13 - 2127/6.4=3, 3.6/5183=2...(4) HA LYS 44 - HD3 LYS 20 lone 4 88 - 5 - HA LYS 44 - HD2 LYS 20 lone 4 85 - 5 - HA GLU 91 - HD2 LYS 96 lone 4 96 - 4 - HA GLU 91 - HD3 LYS 96 lone 4 95 - 4 - HA3 GLY 125 - HD2 LYS 96 lone 4 100 - 3 - HA3 GLY 125 - HD3 LYS 96 lone 4 100 - 3 - HA2 GLY 125 - HD2 LYS 96 lone 3 84 - 4 - HA2 GLY 125 - HD3 LYS 96 lone 3 83 - 4 - HA GLU 69 - HD2 LYS 96 lone 2 92 - 2 - HA GLU 69 - HD3 LYS 96 lone 2 91 - 2 - HA GLU 37 - HD2 LYS 96 lone 2 98 - 2 - HA GLU 37 - HD3 LYS 96 lone 2 98 - 2 - HA GLU 69 - HG12 ILE 71 lone 2 41 - 4 - HA GLU 69 - HD2 LYS 43 lone 1 85 - 2 - HA GLU 69 - HD3 LYS 43 lone 1 84 - 2 - HA GLU 37 - HD3 LYS 73 lone 1 91 - 1 - HA GLU 37 - HD2 LYS 73 lone 1 90 - 1 - HA GLU 69 - HD3 LYS 20 lone 1 78 - 1 - HA LYS 96 - HG12 ILE 71 lone 1 50 - 2 - HA GLU 69 - HD2 LYS 20 lone 1 75 - 1 - HA SER 35 - HD2 LYS 96 lone 1 61 - 2 - HA SER 35 - HD3 LYS 96 lone 1 61 - 2 - HA3 GLY 125 - HD3 LYS 73 lone 1 95 - 1 - HA3 GLY 125 - HD2 LYS 73 lone 1 93 - 1 - HA GLU 91 - HD3 LYS 20 lone 1 82 - 1 - HA2 GLY 125 - HD3 LYS 73 lone 1 76 - 1 - HA GLU 91 - HD2 LYS 20 lone 1 80 - 1 - HA2 GLY 125 - HD2 LYS 73 lone 1 74 - 1 - HA GLU 91 - HD2 LYS 43 lone 1 89 - 1 - HA SER 35 - HD3 LYS 73 lone 1 54 - 1 - HA GLU 91 - HD3 LYS 43 lone 1 88 - 1 - HA SER 35 - HD2 LYS 73 lone 1 53 - 1 - HA GLU 91 - HD3 LYS 73 lone 1 88 - 1 - HA LYS 44 - HG12 ILE 71 lone 1 48 - 2 - HA GLU 91 - HD2 LYS 73 lone 1 87 - 1 - HA GLU 37 - HD2 LYS 43 lone 1 92 - 1 - HA GLU 37 - HD3 LYS 43 lone 1 91 - 1 - HA3 GLY 125 - HD2 LYS 43 lone 1 96 - 1 - HA3 GLY 125 - HD3 LYS 43 lone 1 95 - 1 - HA3 GLY 125 - HD3 LYS 20 lone 1 90 - 1 - HA3 GLY 125 - HD2 LYS 20 lone 1 87 - 1 - HA2 GLY 125 - HD2 LYS 43 lone 1 77 - 1 - HA SER 35 - HD2 LYS 43 lone 1 55 - 1 - HA2 GLY 125 - HD3 LYS 43 lone 1 76 - 1 - HA SER 35 - HD3 LYS 43 lone 1 54 - 1 - HA GLU 37 - HD3 LYS 20 lone 1 86 - 1 - HA SER 35 - HD3 LYS 20 lone 1 50 - 1 - HA GLU 37 - HD2 LYS 20 lone 1 83 - 1 - HA SER 35 - HD2 LYS 20 lone 1 47 - 1 - HA2 GLY 125 - HD3 LYS 20 lone 1 70 - 1 - HA2 GLY 125 - HD2 LYS 20 lone 0 67 - 1 - HA3 GLY 125 - HG12 ILE 71 lone 0 49 - 1 - HA2 GLY 125 - HG12 ILE 71 lone 0 36 - 1 - HA GLU 37 - HG12 ILE 71 lone 0 46 - 1 - HA GLU 91 - HG12 ILE 71 lone 0 44 - 1 - HA SER 35 - HG12 ILE 71 lone 0 24 - 1 - Peak 6123 from cnoeabs.peaks (1.90, 1.68, 28.89 ppm; 2.72 A): 14 out of 180 assignments used, quality = 1.00: * HB2 LYS 96 + HD2 LYS 96 OK 84 100 - 84 - 3.4=49, 1.8/6097=8...(39) HB2 LYS 96 + HD3 LYS 96 OK 83 100 - 84 - 3.4=49, 1.8/6097=8...(38) HB3 LYS 43 + HD2 LYS 43 OK 69 96 - 72 - 3.8=35, 3.0/3846=7...(31) HB2 LYS 73 + HD3 LYS 73 OK 68 91 - 75 - 3.8=35, 2.9/5170=7...(35) HB3 LYS 43 + HD3 LYS 43 OK 68 95 - 71 - 3.8=35, 3.0/3846=6...(28) HB2 LYS 43 + HD2 LYS 43 OK 67 92 - 73 - 3.8=35, 3.0/3846=7...(31) HB2 LYS 73 + HD2 LYS 73 OK 67 90 - 75 - 3.8=35, 2.9/5170=7...(35) HB3 LYS 73 + HD3 LYS 73 OK 67 90 - 74 - 3.8=35, 2.9/5170=7...(35) HB2 LYS 43 + HD3 LYS 43 OK 66 91 - 72 - 3.8=35, 3.0/3846=6...(28) HB3 LYS 73 + HD2 LYS 73 OK 66 88 - 74 - 3.8=35, 2.9/5170=7...(35) HB3 LYS 20 + HD3 LYS 20 OK 62 76 - 82 - 3.4=49, 2.9/3079=6...(38) HB2 LYS 20 + HD3 LYS 20 OK 62 76 - 82 - 3.4=49, 2.9/3079=6...(38) HB2 LYS 20 + HD2 LYS 20 OK 59 73 - 82 - 3.4=49, 2.9/3079=6...(39) HB3 LYS 20 + HD2 LYS 20 OK 59 73 - 82 - 3.4=49, 2.9/3079=6...(39) HB3 LYS 44 - HD2 LYS 96 OK 39 99 - 40 - 2.9/6107=2, 2.9/6126=2...(7) HB3 LYS 44 - HD3 LYS 96 OK 38 98 - 39 - 2.9/6107=2, 2.9/6126=2...(7) HB ILE 71 - HG12 ILE 71 OK 38 47 - 79 - 3.0=73, ~5089=9, ~5107=7...(6) HB2 LYS 44 - HD2 LYS 96 OK 37 92 - 40 - 2.9/6107=2, 2.9/6126=2...(7) HB2 LYS 44 - HD3 LYS 96 OK 35 91 - 39 - 2.9/6107=2, 2.9/6126=2...(7) HB2 LYS 20 - HD2 LYS 43 OK 25 82 - 31 - 2.9/3069=2, 2.9/3079=2...(5) HB3 LYS 20 - HD2 LYS 43 OK 25 82 - 31 - 2.9/3069=2, 2.9/3079=2...(5) HB3 LYS 20 - HD3 LYS 73 OK 25 81 - 30 - 2.9/3079=2, 2.9/3069=2 HB2 LYS 20 - HD3 LYS 73 OK 25 81 - 30 - 2.9/3079=2, 2.9/3069=2 HB3 LYS 20 - HD3 LYS 43 OK 25 81 - 30 - 2.9/3069=2, 2.9/3079=2...(5) HB2 LYS 20 - HD3 LYS 43 OK 25 81 - 30 - 2.9/3069=2, 2.9/3079=2...(5) HB3 LYS 20 - HD2 LYS 73 OK 24 80 - 30 - 2.9/3079=2, 2.9/3069=2 HB2 LYS 20 - HD2 LYS 73 OK 24 80 - 30 - 2.9/3079=2, 2.9/3069=2 HB3 LYS 43 - HD3 LYS 20 OK 23 90 - 26 - 3.0/3816=2, 3.0/3846=2...(6) HB2 LYS 43 - HD3 LYS 20 OK 23 86 - 28 - 3.0/3816=2, 3.0/3846=2...(6) HB3 LYS 43 - HD2 LYS 20 OK 23 87 - 26 - 3.0/3816=2, 3.0/3847=1...(6) HB2 LYS 43 - HD2 LYS 20 OK 23 83 - 27 - 3.0/3816=2, 3.0/3847=1...(6) HB2 LYS 73 - HD2 LYS 43 OK 21 92 - 22 - 2.9/5170=2, 2.9/5160=1 HB3 LYS 73 - HD2 LYS 43 OK 20 91 - 22 - 2.9/5170=2, 2.9/5160=1 HB2 LYS 73 - HD3 LYS 43 OK 20 91 - 22 - 2.9/5170=2, 2.9/5160=1 HB2 LYS 73 - HD3 LYS 20 OK 19 86 - 23 - 2.9/5170=2, 2.9/5160=1 HB3 LYS 73 - HD3 LYS 43 OK 19 90 - 22 - 2.9/5170=2, 2.9/5160=1 HB3 LYS 73 - HD3 LYS 20 OK 19 84 - 23 - 2.9/5170=2, 2.9/5160=1 HB2 LYS 73 - HD2 LYS 20 OK 19 83 - 23 - 2.9/5170=2, 2.9/5160=1 HB3 LYS 73 - HD2 LYS 20 OK 18 81 - 23 - 2.9/5170=2, 2.9/5160=1 HB2 LYS 43 - HD3 LYS 73 OK 18 91 - 19 - 3.0/3846=1 HB3 LYS 43 - HD3 LYS 73 OK 18 95 - 18 - 3.0/3846=1 HB2 LYS 43 - HD2 LYS 73 OK 17 90 - 19 - 3.0/3846=1 HB3 LYS 43 - HD2 LYS 73 OK 17 94 - 18 - 3.0/3846=1 HB2 LYS 96 - HD3 LYS 73 OK 15 95 - 16 - 1.8/6097=2 HB2 LYS 96 - HD2 LYS 73 OK 15 94 - 16 - 1.8/6097=2 HB2 ARG 95 - HD2 LYS 96 OK 15 99 - 15 - 7789/5.7=3, 3.0/6020=2...(5) HB2 ARG 95 - HD3 LYS 96 OK 14 99 - 15 - 7789/5.7=3, 3.0/6020=2...(6) HB2 LYS 96 - HD3 LYS 20 OK 14 90 - 15 - 1.8/6097=2 HB2 LYS 96 - HD2 LYS 20 OK 14 87 - 15 - 1.8/6097=2 HB2 LYS 96 - HD2 LYS 43 OK 13 96 - 14 - 1.8/6097=1 HB2 LYS 96 - HD3 LYS 43 OK 13 95 - 13 - 1.8/6097=1 HB3 LYS 43 - HD2 LYS 96 OK 10 100 - 10 - HB2 LYS 43 - HD2 LYS 96 OK 10 98 - 11 - HB3 LYS 43 - HD3 LYS 96 OK 10 100 - 10 - HB2 LYS 43 - HD3 LYS 96 OK 10 98 - 10 - HB2 LYS 73 - HD2 LYS 96 OK 10 98 - 10 - HB2 LYS 73 - HD3 LYS 96 lone 10 98 - 10 - HB3 LYS 73 - HD2 LYS 96 lone 10 97 - 10 - HB3 LYS 20 - HD2 LYS 96 poor 10 90 - 11 - HB2 LYS 20 - HD2 LYS 96 poor 10 90 - 11 - HB3 LYS 73 - HD3 LYS 96 lone 10 96 - 10 - HB2 LYS 20 - HD3 LYS 96 poor 10 89 - 11 - HB3 LYS 20 - HD3 LYS 96 poor 10 89 - 11 - HB3 LYS 44 - HD2 LYS 43 lone 9 94 - 10 - HB2 LYS 44 - HD2 LYS 43 lone 8 85 - 10 - HB3 LYS 44 - HD3 LYS 43 lone 8 93 - 9 - HB2 LYS 44 - HD3 LYS 43 lone 7 84 - 9 - HB3 LYS 44 - HD3 LYS 73 lone 7 93 - 8 - HB3 LYS 44 - HD2 LYS 73 lone 7 91 - 8 - HB2 LYS 44 - HD3 LYS 73 lone 7 84 - 8 - HB2 LYS 44 - HD2 LYS 73 lone 7 82 - 8 - HB ILE 71 - HD3 LYS 73 lone 5 93 - 6 - ~9773=1 HB ILE 71 - HD2 LYS 73 lone 5 91 - 6 - ~9773=1 HB2 LEU 45 - HD3 LYS 73 lone 5 94 - 5 - HB2 LEU 45 - HD2 LYS 73 lone 5 93 - 5 - HB2 ARG 95 - HD3 LYS 20 lone 4 88 - 5 - HB2 ARG 95 - HD2 LYS 20 lone 4 85 - 5 - HB2 LEU 45 - HD3 LYS 20 lone 4 89 - 4 - HB2 LEU 45 - HD2 LYS 20 lone 4 86 - 4 - HB2 LEU 45 - HD3 LYS 96 lone 3 99 - 3 - HB3 LYS 123 - HD3 LYS 96 lone 3 83 - 4 - HB3 LYS 123 - HD2 LYS 96 lone 3 84 - 4 - HB2 LEU 45 - HD2 LYS 96 lone 3 100 - 3 - HB2 ARG 95 - HD3 LYS 73 lone 3 94 - 3 - HB2 ARG 95 - HD2 LYS 73 lone 3 92 - 3 - HB3 LYS 44 - HD3 LYS 20 lone 3 87 - 3 - HB2 ARG 95 - HD2 LYS 43 lone 3 94 - 3 - HB3 LYS 44 - HD2 LYS 20 lone 3 84 - 3 - HB2 ARG 95 - HD3 LYS 43 lone 3 94 - 3 - HB2 LYS 44 - HD3 LYS 20 lone 3 78 - 3 - HB2 LYS 44 - HD2 LYS 20 lone 3 75 - 3 - HB ILE 71 - HD3 LYS 96 lone 2 98 - 2 - HB ILE 71 - HD2 LYS 96 lone 2 99 - 2 - HB2 LEU 45 - HD3 LYS 43 lone 2 94 - 2 - HB2 LEU 45 - HD2 LYS 43 lone 2 95 - 2 - HB2 LYS 73 - HG12 ILE 71 lone 2 46 - 5 - 1467/4.6=1 HB3 LYS 123 - HG12 ILE 71 lone 2 36 - 6 - ~10612=2 HB3 LYS 73 - HG12 ILE 71 lone 2 45 - 5 - 1467/4.6=1 HG LEU 45 - HD3 LYS 73 lone 2 54 - 3 - HG LEU 45 - HD2 LYS 73 lone 2 53 - 3 - HG LEU 45 - HD3 LYS 20 lone 2 50 - 3 - HG LEU 45 - HD2 LYS 96 lone 2 61 - 3 - HG LEU 45 - HD3 LYS 96 lone 2 61 - 3 - HG LEU 45 - HD2 LYS 20 lone 2 47 - 3 - HB2 LYS 96 - HG12 ILE 71 lone 1 50 - 3 - HB ILE 71 - HD3 LYS 20 lone 1 87 - 1 - HB2 GLU 128 - HD2 LYS 96 lone 1 100 - 1 - HB2 GLU 128 - HD3 LYS 96 lone 1 100 - 1 - HB ILE 71 - HD2 LYS 20 lone 1 84 - 1 - HG LEU 45 - HD2 LYS 43 lone 1 55 - 2 - HG LEU 45 - HD3 LYS 43 lone 1 54 - 2 - HB ILE 15 - HD3 LYS 73 lone 1 72 - 1 - HB ILE 15 - HD2 LYS 73 lone 1 71 - 1 - HB3 LYS 123 - HD3 LYS 43 lone 1 76 - 1 - HB3 LYS 123 - HD2 LYS 43 lone 1 77 - 1 - HB2 LEU 45 - HG12 ILE 71 lone 1 49 - 2 - HB3 LYS 123 - HD3 LYS 20 lone 1 70 - 1 - HB3 LYS 123 - HD3 LYS 73 lone 1 76 - 1 - HB3 LYS 123 - HD2 LYS 20 lone 1 67 - 1 - HB3 LYS 123 - HD2 LYS 73 lone 1 74 - 1 - HB ILE 7 - HD2 LYS 43 lone 1 87 - 1 - HB ILE 71 - HD3 LYS 43 lone 1 93 - 1 - HB ILE 7 - HD3 LYS 20 lone 1 80 - 1 - HB ILE 7 - HD3 LYS 43 lone 1 86 - 1 - HB ILE 7 - HD2 LYS 20 lone 1 78 - 1 - HB ILE 71 - HD2 LYS 43 lone 0 94 - 1 - HB3 LYS 44 - HG12 ILE 71 lone 1 47 - 1 - HB ILE 7 - HD2 LYS 96 lone 0 94 - 0 - HB ILE 7 - HD3 LYS 96 lone 0 93 - 0 - HB2 LYS 49 - HD3 LYS 96 lone 0 100 - 0 - HB2 LYS 49 - HD2 LYS 96 lone 0 100 - 0 - HB2 LYS 44 - HG12 ILE 71 lone 0 41 - 1 - HB ILE 7 - HD3 LYS 73 lone 0 86 - 0 - HB ILE 7 - HD2 LYS 73 lone 0 85 - 0 - HB2 LYS 49 - HG12 ILE 71 lone 0 49 - 1 - HB2 LYS 49 - HD3 LYS 20 lone 0 90 - 0 - HB2 LYS 49 - HD2 LYS 20 lone 0 87 - 0 - HB2 GLU 128 - HD3 LYS 73 lone 0 95 - 0 - HB2 GLU 128 - HD2 LYS 73 lone 0 94 - 0 - HB2 GLU 128 - HD3 LYS 43 lone 0 95 - 0 - HB2 GLU 128 - HD2 LYS 43 lone 0 96 - 0 - HB2 GLU 128 - HD3 LYS 20 lone 0 90 - 0 - HB2 LYS 49 - HD3 LYS 73 lone 0 95 - 0 - HB2 GLU 128 - HD2 LYS 20 lone 0 87 - 0 - HB2 LYS 49 - HD2 LYS 73 lone 0 93 - 0 - HB2 LYS 49 - HD3 LYS 43 lone 0 95 - 0 - HB2 LYS 49 - HD2 LYS 43 lone 0 96 - 0 - HB2 ARG 95 - HG12 ILE 71 lone 0 48 - 1 - HB ILE 15 - HD3 LYS 20 lone 0 67 - 0 - HG LEU 45 - HG12 ILE 71 lone 0 24 - 1 - HB ILE 15 - HD2 LYS 20 lone 0 64 - 0 - HB2 LYS 20 - HG12 ILE 71 lone 0 39 - 1 - HB3 LYS 20 - HG12 ILE 71 lone 0 39 - 1 - HB ILE 15 - HD2 LYS 96 lone 0 81 - 0 - HB ILE 15 - HD3 LYS 96 lone 0 80 - 0 - HB ILE 15 - HD3 LYS 43 lone 0 72 - 0 - HB ILE 15 - HD2 LYS 43 lone 0 73 - 0 - HB3 LYS 43 - HG12 ILE 71 lone 0 50 - 0 - HB2 LYS 43 - HG12 ILE 71 lone 0 46 - 0 - HG2 MET 121 - HD3 LYS 20 lone 0 60 - 0 - HB2 LEU 81 - HD2 LYS 96 lone 0 65 - 0 - HB2 LEU 81 - HD3 LYS 96 lone 0 65 - 0 - HG2 MET 121 - HD2 LYS 20 lone 0 58 - 0 - HB ILE 7 - HG12 ILE 71 lone 0 43 - 0 - HG2 MET 121 - HD2 LYS 96 lone 0 73 - 0 - HG2 MET 121 - HD3 LYS 96 lone 0 73 - 0 - HB2 GLU 128 - HG12 ILE 71 lone 0 50 - 0 - HG2 MET 121 - HD3 LYS 73 lone 0 65 - 0 - HG2 MET 121 - HD2 LYS 73 lone 0 64 - 0 - HB2 LEU 81 - HD2 LYS 73 lone 0 57 - 0 - HB2 LEU 81 - HD3 LYS 73 lone 0 58 - 0 - HB ILE 15 - HG12 ILE 71 lone 0 34 - 0 - HG2 MET 121 - HD3 LYS 43 lone 0 65 - 0 - HG2 MET 121 - HD2 LYS 43 lone 0 66 - 0 - HB2 LEU 81 - HD2 LYS 43 lone 0 59 - 0 - HB2 LEU 81 - HD3 LYS 43 lone 0 58 - 0 - HB2 LEU 81 - HD3 LYS 20 lone 0 53 - 0 - HB2 LEU 81 - HD2 LYS 20 lone 0 51 - 0 - HG2 MET 121 - HG12 ILE 71 lone 0 30 - 0 - HB2 LEU 81 - HG12 ILE 71 lone 0 26 - 0 - Peak 6124 from cnoeabs.peaks (1.97, 1.68, 28.89 ppm; 3.11 A): 2 out of 81 assignments used, quality = 1.00: * HB3 LYS 96 + HD2 LYS 96 OK 96 100 - 96 - 3.4=73, 6097/1.8=10...(54) HB3 LYS 96 + HD3 LYS 96 OK 95 100 - 96 - 3.4=73, 6097/1.8=10...(53) HB3 LYS 96 - HD3 LYS 73 OK 23 95 - 24 - 6097=3, 6097/1.8=2...(5) HB3 LYS 96 - HD2 LYS 73 OK 23 94 - 24 - 6097=3, 6097/1.8=2...(5) HB3 LYS 96 - HD3 LYS 20 OK 21 90 - 23 - 6097=2, 6097/1.8=2, 2.9/6117=1 HB3 LYS 96 - HD2 LYS 20 OK 20 87 - 23 - 6097=2, 6097/1.8=2, 2.9/6117=1 HB3 LYS 96 - HD2 LYS 43 OK 20 96 - 20 - 6097=2, 6097/1.8=2 HB3 ARG 95 - HD2 LYS 96 OK 19 100 - 19 - 7790/5.7=4, 3.0/6020=3...(4) HB3 ARG 95 - HD3 LYS 96 OK 19 100 - 19 - 7790/5.7=4, 3.0/6020=3...(4) HB3 LYS 96 - HD3 LYS 43 OK 18 95 - 19 - 6097=2, 6097/1.8=2 HB2 LYS 40 - HD2 LYS 43 OK 15 55 - 27 - 1.8/3675=2, 2.7/3695=1...(6) HB2 LYS 40 - HD3 LYS 43 OK 14 54 - 26 - 1.8/3675=2, 2.7/3695=1...(6) HB2 LYS 40 - HD2 LYS 96 OK 12 61 - 20 - 8044/5.3=2, 4.0/1256=1...(6) HB2 LYS 40 - HD3 LYS 96 OK 12 61 - 20 - 8044/5.3=2, 4.0/1256=1...(6) HB2 LYS 40 - HD3 LYS 20 poor 9 50 - 18 - 2.7/3694=1, 1.8/3675=1 HB2 LYS 40 - HD2 LYS 20 poor 9 47 - 18 - 2.7/3694=1, 1.8/3675=1 HB2 LYS 40 - HD3 LYS 73 poor 8 54 - 14 - HB2 LYS 40 - HD2 LYS 73 poor 8 53 - 14 - HB3 ARG 95 - HD3 LYS 20 lone 6 90 - 6 - HB3 ARG 95 - HD2 LYS 20 lone 5 87 - 6 - HB3 ARG 95 - HD3 LYS 73 lone 4 95 - 4 - HB3 ARG 95 - HD2 LYS 73 lone 4 94 - 4 - HB3 ARG 95 - HD2 LYS 43 lone 4 96 - 4 - HB3 ARG 95 - HD3 LYS 43 lone 4 95 - 4 - HB3 LYS 96 - HG12 ILE 71 lone 2 50 - 3 - HB3 GLU 128 - HD2 LYS 96 lone 1 70 - 2 - HB3 GLU 128 - HD3 LYS 96 lone 1 69 - 2 - HB3 GLU 21 - HD3 LYS 20 lone 0 90 - 1 - HB3 GLU 21 - HD2 LYS 20 lone 0 87 - 1 - HB3 GLU 21 - HD2 LYS 96 lone 0 100 - 0 - HB3 GLU 21 - HD3 LYS 96 lone 0 100 - 0 - HB3 GLU 21 - HD3 LYS 73 lone 0 95 - 0 - HB VAL 22 - HD3 LYS 20 lone 0 70 - 1 - HB3 GLU 21 - HD2 LYS 73 lone 0 93 - 0 - HB VAL 22 - HD2 LYS 20 lone 0 67 - 1 - HB3 GLU 21 - HD2 LYS 43 lone 0 96 - 0 - HB3 GLU 21 - HD3 LYS 43 lone 0 95 - 0 - HB VAL 22 - HD2 LYS 96 lone 0 84 - 0 - HB VAL 22 - HD3 LYS 96 lone 0 83 - 0 - HB3 GLU 103 - HD2 LYS 96 lone 0 73 - 0 - HB3 GLU 103 - HD3 LYS 96 lone 0 73 - 0 - HB3 ARG 95 - HG12 ILE 71 lone 0 50 - 1 - HB3 GLU 21 - HG12 ILE 71 lone 0 49 - 1 - HB VAL 29 - HD2 LYS 96 lone 0 65 - 0 - HB VAL 29 - HD3 LYS 96 lone 0 65 - 0 - HB3 GLU 52 - HG12 ILE 71 lone 0 24 - 1 - HB VAL 22 - HD3 LYS 73 lone 0 76 - 0 - HB VAL 22 - HD2 LYS 73 lone 0 74 - 0 - HB3 GLU 128 - HD2 LYS 43 lone 0 63 - 0 - HB VAL 22 - HD2 LYS 43 lone 0 77 - 0 - HB3 GLU 128 - HD3 LYS 43 lone 0 62 - 0 - HB3 GLU 128 - HD3 LYS 73 lone 0 62 - 0 - HB VAL 22 - HD3 LYS 43 lone 0 76 - 0 - HB3 GLU 128 - HD2 LYS 73 lone 0 60 - 0 - HB3 GLU 103 - HD2 LYS 43 lone 0 66 - 0 - HB3 GLU 103 - HD3 LYS 43 lone 0 65 - 0 - HB3 GLU 52 - HD2 LYS 96 lone 0 61 - 0 - HB3 GLU 128 - HD3 LYS 20 lone 0 57 - 0 - HB3 GLU 103 - HD3 LYS 73 lone 0 65 - 0 - HB3 GLU 52 - HD3 LYS 96 lone 0 61 - 0 - HB3 GLU 103 - HD2 LYS 73 lone 0 64 - 0 - HB3 GLU 128 - HD2 LYS 20 lone 0 54 - 0 - HB VAL 29 - HD2 LYS 43 lone 0 59 - 0 - HB VAL 29 - HD3 LYS 43 lone 0 58 - 0 - HB3 GLU 103 - HD3 LYS 20 lone 0 60 - 0 - HB3 GLU 103 - HD2 LYS 20 lone 0 58 - 0 - HB VAL 29 - HD3 LYS 73 lone 0 58 - 0 - HB VAL 29 - HD2 LYS 73 lone 0 57 - 0 - HB3 GLU 52 - HD2 LYS 43 lone 0 55 - 0 - HB VAL 29 - HD3 LYS 20 lone 0 53 - 0 - HB3 GLU 52 - HD3 LYS 43 lone 0 54 - 0 - HB3 GLU 52 - HD3 LYS 73 lone 0 54 - 0 - HB VAL 29 - HD2 LYS 20 lone 0 51 - 0 - HB3 GLU 52 - HD2 LYS 73 lone 0 53 - 0 - HB3 GLU 52 - HD3 LYS 20 lone 0 50 - 0 - HB3 GLU 52 - HD2 LYS 20 lone 0 47 - 0 - HB VAL 22 - HG12 ILE 71 lone 0 36 - 0 - HB2 LYS 40 - HG12 ILE 71 lone 0 24 - 0 - HB3 GLU 128 - HG12 ILE 71 lone 0 28 - 0 - HB3 GLU 103 - HG12 ILE 71 lone 0 30 - 0 - HB VAL 29 - HG12 ILE 71 lone 0 26 - 0 - Peak 6125 from cnoeabs.peaks (1.44, 1.68, 28.89 ppm; 2.55 A): 2 out of 144 assignments used, quality = 0.98: * HG2 LYS 96 + HD2 LYS 96 OK 85 100 - 85 - 3.0=64, 1.8/6117=7...(24) HG2 LYS 96 + HD3 LYS 96 OK 85 100 - 85 - 3.0=64, 1.8/6117=7...(23) HG3 LYS 44 - HD2 LYS 96 OK 35 100 - 35 - 6107=4, 6107/1.8=3...(9) HG3 LYS 44 - HD3 LYS 96 OK 34 100 - 35 - 6107=4, 6107/1.8=3...(9) HG2 LYS 96 - HD3 LYS 73 OK 14 95 - 14 - 6107=2, 1.8/6117=1...(4) HG2 LYS 96 - HD2 LYS 73 OK 13 94 - 14 - 6107=2, 1.8/6117=1...(4) HG2 LYS 96 - HD3 LYS 20 OK 12 90 - 13 - 6107=2, 1.8/6117=1 HG2 LYS 96 - HD2 LYS 43 OK 12 96 - 12 - 6107=1, 1.8/6117=1 HG2 LYS 96 - HD2 LYS 20 OK 12 87 - 13 - 6107=2, 1.8/6117=1 HG2 LYS 96 - HD3 LYS 43 OK 11 95 - 12 - 6107=1 HG3 LYS 44 - HD2 LYS 43 lone 7 96 - 7 - HG3 LYS 44 - HD3 LYS 43 lone 6 95 - 7 - HG3 LYS 44 - HD3 LYS 73 lone 6 95 - 7 - HG3 LYS 44 - HD2 LYS 73 lone 6 93 - 7 - HG2 LYS 39 - HD2 LYS 96 lone 4 70 - 5 - HG2 LYS 39 - HD3 LYS 96 lone 4 69 - 5 - HG LEU 4 - HD3 LYS 20 lone 3 76 - 4 - 2.1/10735=1 HG LEU 4 - HD2 LYS 20 lone 3 73 - 4 - 2.1/10735=1 HB3 LEU 4 - HD3 LYS 20 lone 3 89 - 3 - HB2 LEU 4 - HD3 LYS 20 lone 3 89 - 3 - HB3 LEU 4 - HD2 LYS 20 lone 3 86 - 3 - HB2 LEU 4 - HD2 LYS 20 lone 3 86 - 3 - HB2 LEU 4 - HG12 ILE 71 lone 3 49 - 5 - 9777/2.1=1, ~9777=1 HB3 LEU 4 - HG12 ILE 71 lone 3 49 - 5 - 9777/2.1=1, ~9777=1 HG3 LYS 44 - HD3 LYS 20 lone 2 90 - 3 - HG3 LYS 44 - HD2 LYS 20 lone 2 87 - 3 - HG3 LYS 17 - HD3 LYS 20 lone 2 76 - 3 - 3.9/2816=1 HG3 LYS 17 - HD2 LYS 20 lone 2 73 - 3 - 3.9/2816=1 HG LEU 4 - HG12 ILE 71 lone 2 39 - 5 - 9777/2.1=1, 2.1/10735=1 HG3 ARG 30 - HG12 ILE 71 lone 2 38 - 5 - 9777/2.1=2, ~10927=1 HG2 LYS 39 - HD3 LYS 43 lone 2 62 - 3 - HG2 LYS 39 - HD2 LYS 43 lone 1 63 - 2 - HB2 LEU 4 - HD2 LYS 96 lone 1 100 - 1 - HB3 LEU 4 - HD2 LYS 96 lone 1 100 - 1 - HB3 LEU 4 - HD3 LYS 96 lone 1 99 - 1 - HB2 LEU 4 - HD3 LYS 96 lone 1 99 - 1 - HG2 LYS 96 - HG12 ILE 71 lone 1 50 - 3 - HG LEU 4 - HD2 LYS 96 lone 1 90 - 1 - HG LEU 4 - HD3 LYS 96 lone 1 89 - 1 - HG3 LYS 17 - HG12 ILE 71 lone 1 39 - 3 - 10918/2.1=1 HG2 LYS 39 - HD3 LYS 73 lone 1 62 - 2 - HG2 LYS 39 - HD2 LYS 73 lone 1 60 - 2 - HG12 ILE 56 - HD2 LYS 96 lone 1 84 - 1 - HB3 LEU 4 - HD3 LYS 73 lone 1 94 - 1 - HB2 LEU 4 - HD3 LYS 73 lone 1 94 - 1 - HG12 ILE 56 - HD3 LYS 96 lone 1 83 - 1 - HB2 LEU 4 - HD2 LYS 73 lone 1 93 - 1 - HB3 LEU 4 - HD2 LYS 73 lone 1 93 - 1 - HG LEU 4 - HD3 LYS 73 lone 1 81 - 1 - HG12 ILE 56 - HG12 ILE 71 lone 1 36 - 3 - 9777/2.1=1 HG LEU 4 - HD2 LYS 73 lone 1 80 - 1 - HB3 LEU 6 - HD3 LYS 20 lone 1 53 - 1 - HG3 LYS 17 - HD2 LYS 96 lone 1 90 - 1 - HB3 LEU 6 - HD2 LYS 20 lone 1 51 - 1 - HG3 LYS 17 - HD3 LYS 96 lone 1 89 - 1 - HG2 LYS 39 - HD3 LYS 20 lone 1 57 - 1 - HB3 LEU 6 - HD2 LYS 43 lone 1 59 - 1 - HG2 LYS 39 - HD2 LYS 20 lone 1 54 - 1 - HB3 LEU 6 - HD3 LYS 43 lone 1 58 - 1 - HB3 LEU 4 - HD2 LYS 43 lone 1 95 - 1 - HB2 LEU 4 - HD2 LYS 43 lone 1 95 - 1 - HB2 LEU 4 - HD3 LYS 43 lone 1 94 - 1 - HB3 LEU 4 - HD3 LYS 43 lone 1 94 - 1 - HG LEU 4 - HD2 LYS 43 lone 1 82 - 1 - HG LEU 4 - HD3 LYS 43 lone 1 81 - 1 - HG3 LYS 17 - HD2 LYS 43 lone 1 82 - 1 - HG3 LYS 17 - HD3 LYS 43 lone 1 81 - 1 - HB3 LEU 6 - HD2 LYS 96 lone 1 65 - 1 - HG LEU 80 - HG12 ILE 71 lone 1 50 - 1 - HB3 LEU 6 - HD3 LYS 96 lone 1 65 - 1 - HG LEU 80 - HD2 LYS 96 lone 0 100 - 0 - HG LEU 80 - HD3 LYS 96 lone 0 100 - 0 - HB3 LEU 6 - HD3 LYS 73 lone 0 58 - 1 - HG3 LYS 17 - HD3 LYS 73 lone 0 81 - 1 - HB3 LEU 6 - HD2 LYS 73 lone 0 57 - 1 - HG3 LYS 17 - HD2 LYS 73 lone 0 80 - 1 - HG3 LYS 44 - HG12 ILE 71 lone 0 49 - 1 - HG12 ILE 56 - HD3 LYS 20 lone 0 70 - 1 - HB3 LEU 63 - HD2 LYS 96 lone 0 81 - 0 - HB3 LEU 63 - HD3 LYS 96 lone 0 80 - 0 - HG12 ILE 56 - HD2 LYS 20 lone 0 67 - 1 - HG3 ARG 30 - HD2 LYS 96 lone 0 87 - 0 - HG3 ARG 30 - HD3 LYS 96 lone 0 86 - 0 - HG LEU 80 - HD3 LYS 73 lone 0 95 - 0 - HG LEU 80 - HD2 LYS 73 lone 0 94 - 0 - HG2 LYS 49 - HG12 ILE 71 lone 0 26 - 1 - HG3 LYS 49 - HG12 ILE 71 lone 0 26 - 1 - HG2 LYS 49 - HD2 LYS 96 lone 0 65 - 0 - HG3 LYS 49 - HD2 LYS 96 lone 0 65 - 0 - HG3 LYS 49 - HD3 LYS 96 lone 0 65 - 0 - HG2 LYS 49 - HD3 LYS 96 lone 0 65 - 0 - HG LEU 80 - HD3 LYS 20 lone 0 90 - 0 - HG LEU 80 - HD2 LYS 20 lone 0 87 - 0 - HG12 ILE 56 - HD2 LYS 43 lone 0 77 - 0 - HB3 LYS 61 - HD2 LYS 96 lone 0 96 - 0 - HG12 ILE 56 - HD3 LYS 43 lone 0 76 - 0 - HB3 LYS 61 - HD3 LYS 96 lone 0 95 - 0 - HB3 LEU 63 - HG12 ILE 71 lone 0 34 - 1 - HG3 LYS 49 - HD3 LYS 20 lone 0 53 - 0 - HG2 LYS 49 - HD3 LYS 20 lone 0 53 - 0 - HG2 LYS 49 - HD2 LYS 20 lone 0 51 - 0 - HG3 LYS 49 - HD2 LYS 20 lone 0 51 - 0 - HG3 ARG 30 - HD2 LYS 43 lone 0 80 - 0 - HG12 ILE 7 - HD2 LYS 96 lone 0 61 - 0 - HB3 LYS 61 - HD2 LYS 43 lone 0 89 - 0 - HG3 ARG 30 - HD3 LYS 43 lone 0 79 - 0 - HG12 ILE 7 - HD3 LYS 96 lone 0 61 - 0 - HG12 ILE 7 - HD2 LYS 43 lone 0 55 - 0 - HG LEU 80 - HD2 LYS 43 lone 0 96 - 0 - HB3 LYS 61 - HD3 LYS 43 lone 0 88 - 0 - HG LEU 80 - HD3 LYS 43 lone 0 95 - 0 - HG3 ARG 30 - HD3 LYS 73 lone 0 79 - 0 - HG12 ILE 7 - HD3 LYS 43 lone 0 54 - 0 - HG12 ILE 7 - HD3 LYS 20 lone 0 50 - 0 - HG3 ARG 30 - HD2 LYS 73 lone 0 77 - 0 - HB3 LYS 61 - HD3 LYS 20 lone 0 82 - 0 - HB3 LYS 61 - HD3 LYS 73 lone 0 88 - 0 - HG3 ARG 30 - HD3 LYS 20 lone 0 73 - 0 - HG12 ILE 7 - HD2 LYS 20 lone 0 47 - 0 - HB3 LYS 61 - HD2 LYS 73 lone 0 87 - 0 - HB3 LYS 61 - HD2 LYS 20 lone 0 80 - 0 - HB3 LEU 63 - HD3 LYS 20 lone 0 67 - 0 - HG3 ARG 30 - HD2 LYS 20 lone 0 70 - 0 - HG2 LYS 39 - HG12 ILE 71 lone 0 28 - 1 - HG12 ILE 56 - HD3 LYS 73 lone 0 76 - 0 - HG12 ILE 56 - HD2 LYS 73 lone 0 74 - 0 - HB3 LEU 63 - HD2 LYS 20 lone 0 64 - 0 - HG12 ILE 7 - HD3 LYS 73 lone 0 54 - 0 - HB3 LEU 63 - HD2 LYS 43 lone 0 73 - 0 - HB3 LEU 63 - HD3 LYS 73 lone 0 72 - 0 - HB3 LEU 63 - HD3 LYS 43 lone 0 72 - 0 - HG12 ILE 7 - HD2 LYS 73 lone 0 53 - 0 - HB3 LEU 63 - HD2 LYS 73 lone 0 71 - 0 - HG2 LYS 49 - HD3 LYS 73 lone 0 58 - 0 - HG3 LYS 49 - HD3 LYS 73 lone 0 58 - 0 - HG3 LYS 49 - HD2 LYS 73 lone 0 57 - 0 - HG2 LYS 49 - HD2 LYS 73 lone 0 57 - 0 - HG3 LYS 49 - HD2 LYS 43 lone 0 59 - 0 - HG2 LYS 49 - HD2 LYS 43 lone 0 59 - 0 - HG2 LYS 49 - HD3 LYS 43 lone 0 58 - 0 - HG3 LYS 49 - HD3 LYS 43 lone 0 58 - 0 - HB3 LEU 6 - HG12 ILE 71 lone 0 26 - 1 - HB3 LYS 61 - HG12 ILE 71 lone 0 44 - 0 - HG12 ILE 7 - HG12 ILE 71 lone 0 24 - 0 - Peak 6126 from cnoeabs.peaks (1.57, 1.68, 28.89 ppm; 2.43 A): 2 out of 108 assignments used, quality = 0.96: * HG3 LYS 96 + HD2 LYS 96 OK 79 100 - 79 - 3.0=55, 6117/1.8=7...(18) HG3 LYS 96 + HD3 LYS 96 OK 79 100 - 79 - 3.0=55, 6117/1.8=7...(17) HG2 LYS 44 - HD2 LYS 96 OK 25 87 - 29 - 6117=3, 1.8/6107=2...(8) HG2 LYS 44 - HD3 LYS 96 OK 25 86 - 29 - 6117=3, 1.8/6107=2...(8) HG3 LYS 96 - HD3 LYS 73 OK 12 95 - 13 - 6117=2, 6117/1.8=1 HG3 LYS 96 - HD2 LYS 73 OK 12 94 - 13 - 6117=2, 6117/1.8=1 HG3 LYS 96 - HD3 LYS 20 OK 11 90 - 12 - 6117=2, 6117/1.8=1 HB3 LEU 70 - HD3 LYS 73 OK 11 95 - 12 - ~11081=3, 3.0/11077=2...(4) HB3 LEU 70 - HD2 LYS 73 OK 11 94 - 12 - ~11081=3, 3.0/11077=2...(4) HG3 LYS 96 - HD2 LYS 20 OK 11 87 - 12 - 6117=2, 6117/1.8=1 HG3 LYS 96 - HD2 LYS 43 OK 11 96 - 11 - 6117=2 HG3 LYS 96 - HD3 LYS 43 poor 10 95 - 10 - 6117=1 HG2 LYS 44 - HD2 LYS 43 lone 4 80 - 5 - HB3 LEU 70 - HG12 ILE 71 lone 4 50 - 8 - 437/4.6=3, 9778/2.1=2 HG2 LYS 44 - HD3 LYS 73 lone 4 79 - 5 - HG2 LYS 44 - HD3 LYS 43 lone 4 79 - 5 - HG2 LYS 44 - HD2 LYS 73 lone 4 77 - 5 - HG LEU 68 - HG12 ILE 71 poor 3 26 - 13 - ~9775=4, 9778/2.1=2...(5) HG2 LYS 123 - HD3 LYS 96 lone 3 98 - 3 - HG2 LYS 123 - HD2 LYS 96 lone 3 99 - 3 - HG2 LYS 123 - HG12 ILE 71 lone 3 47 - 6 - ~10612=2, 9778/2.1=1 HG2 LYS 44 - HD3 LYS 20 lone 2 73 - 2 - HG2 LYS 44 - HD2 LYS 20 lone 1 70 - 2 - HB3 LEU 70 - HD3 LYS 96 lone 1 100 - 1 - HB3 LEU 70 - HD2 LYS 96 lone 1 100 - 1 - HG3 LYS 96 - HG12 ILE 71 lone 1 50 - 2 - HB VAL 78 - HD2 LYS 96 lone 1 84 - 1 - HB VAL 78 - HD3 LYS 96 lone 1 83 - 1 - HB3 LEU 70 - HD3 LYS 20 lone 1 90 - 1 - HB3 LEU 70 - HD2 LYS 20 lone 1 87 - 1 - HG2 LYS 115 - HD2 LYS 96 lone 1 94 - 1 - HG2 LYS 115 - HD3 LYS 96 lone 1 93 - 1 - HB3 LEU 70 - HD3 LYS 43 lone 1 95 - 1 - HD3 LYS 106 - HD2 LYS 96 lone 1 96 - 1 - HD3 LYS 106 - HD3 LYS 96 lone 1 95 - 1 - HB3 LEU 70 - HD2 LYS 43 lone 1 96 - 1 - HD2 LYS 106 - HD2 LYS 96 lone 1 94 - 1 - HD2 LYS 106 - HD3 LYS 96 lone 1 93 - 1 - HG2 LYS 123 - HD3 LYS 43 lone 1 93 - 1 - HG2 LYS 123 - HD3 LYS 73 lone 1 93 - 1 - HG2 LYS 123 - HD2 LYS 73 lone 1 91 - 1 - HG2 LYS 123 - HD3 LYS 20 lone 1 87 - 1 - HG2 LYS 123 - HD2 LYS 20 lone 1 84 - 1 - HD3 LYS 106 - HD3 LYS 20 lone 1 82 - 1 - HG2 LYS 123 - HD2 LYS 43 lone 1 94 - 1 - HD2 LYS 106 - HD3 LYS 20 lone 1 80 - 1 - HD3 LYS 106 - HD2 LYS 20 lone 1 80 - 1 - HD2 LYS 106 - HD2 LYS 20 lone 0 78 - 1 - HG2 LYS 115 - HG12 ILE 71 lone 1 43 - 1 - HG LEU 68 - HD3 LYS 20 lone 0 53 - 1 - HG LEU 68 - HD3 LYS 73 lone 0 58 - 1 - HG LEU 68 - HD2 LYS 20 lone 0 51 - 1 - HG LEU 68 - HD2 LYS 73 lone 0 57 - 1 - HG LEU 55 - HD2 LYS 96 lone 0 99 - 0 - HG LEU 55 - HD3 LYS 96 lone 0 99 - 0 - HG2 LYS 115 - HD3 LYS 20 lone 0 80 - 0 - HD3 LYS 106 - HG12 ILE 71 lone 0 44 - 1 - HG2 LYS 115 - HD3 LYS 73 lone 0 86 - 0 - HD2 LYS 106 - HG12 ILE 71 lone 0 43 - 1 - HG2 LYS 115 - HD2 LYS 20 lone 0 78 - 0 - HG LEU 68 - HD2 LYS 43 lone 0 59 - 1 - HG2 LYS 115 - HD2 LYS 73 lone 0 85 - 0 - HG LEU 68 - HD3 LYS 43 lone 0 58 - 1 - HG LEU 68 - HD2 LYS 96 lone 0 65 - 1 - HG LEU 68 - HD3 LYS 96 lone 0 65 - 1 - HG12 ILE 116 - HD2 LYS 96 lone 0 81 - 0 - HG12 ILE 116 - HD3 LYS 96 lone 0 80 - 0 - HG LEU 55 - HD3 LYS 20 lone 0 88 - 0 - HB VAL 78 - HG12 ILE 71 lone 0 36 - 1 - HG2 LYS 44 - HG12 ILE 71 lone 0 38 - 1 - HG LEU 55 - HD2 LYS 20 lone 0 85 - 0 - HG2 LYS 115 - HD2 LYS 43 lone 0 87 - 0 - HG2 LYS 115 - HD3 LYS 43 lone 0 86 - 0 - HD3 LYS 106 - HD2 LYS 43 lone 0 89 - 0 - HD3 LYS 106 - HD3 LYS 43 lone 0 88 - 0 - HG12 ILE 3 - HD2 LYS 43 lone 0 87 - 0 - HD2 LYS 106 - HD2 LYS 43 lone 0 87 - 0 - HG12 ILE 3 - HD3 LYS 43 lone 0 86 - 0 - HD2 LYS 106 - HD3 LYS 43 lone 0 86 - 0 - HG12 ILE 3 - HD2 LYS 96 lone 0 94 - 0 - HG12 ILE 3 - HD3 LYS 96 lone 0 93 - 0 - HG LEU 55 - HD3 LYS 73 lone 0 94 - 0 - HG LEU 55 - HD2 LYS 73 lone 0 92 - 0 - HG LEU 55 - HG12 ILE 71 lone 0 48 - 0 - HG LEU 55 - HD2 LYS 43 lone 0 94 - 0 - HG LEU 55 - HD3 LYS 43 lone 0 94 - 0 - HG12 ILE 3 - HD3 LYS 20 lone 0 80 - 0 - HG12 ILE 3 - HD2 LYS 20 lone 0 78 - 0 - HD3 LYS 106 - HD3 LYS 73 lone 0 88 - 0 - HD3 LYS 106 - HD2 LYS 73 lone 0 87 - 0 - HD2 LYS 106 - HD3 LYS 73 lone 0 86 - 0 - HD2 LYS 106 - HD2 LYS 73 lone 0 85 - 0 - HB VAL 78 - HD3 LYS 20 lone 0 70 - 0 - HB VAL 78 - HD2 LYS 20 lone 0 67 - 0 - HG12 ILE 3 - HG12 ILE 71 lone 0 43 - 0 - HB VAL 78 - HD2 LYS 43 lone 0 77 - 0 - HB VAL 78 - HD3 LYS 73 lone 0 76 - 0 - HB VAL 78 - HD3 LYS 43 lone 0 76 - 0 - HB VAL 78 - HD2 LYS 73 lone 0 74 - 0 - HG12 ILE 3 - HD3 LYS 73 lone 0 86 - 0 - HG12 ILE 3 - HD2 LYS 73 lone 0 85 - 0 - HG12 ILE 116 - HD3 LYS 73 lone 0 72 - 0 - HG12 ILE 116 - HD2 LYS 43 lone 0 73 - 0 - HG12 ILE 116 - HD3 LYS 43 lone 0 72 - 0 - HG12 ILE 116 - HD2 LYS 73 lone 0 71 - 0 - HG12 ILE 116 - HD3 LYS 20 lone 0 67 - 0 - HG12 ILE 116 - HD2 LYS 20 lone 0 64 - 0 - HG12 ILE 116 - HG12 ILE 71 lone 0 34 - 0 - Peak 6127 from cnoeabs.peaks (1.68, 1.68, 28.89 ppm; diagonal): 8 out of 9 assignments used, quality = 1.00: * HD2 LYS 96 + HD2 LYS 96 OK 100 100 - 100 HD3 LYS 96 + HD3 LYS 96 OK 100 100 - 100 HD2 LYS 43 + HD2 LYS 43 OK 96 96 - 100 HD3 LYS 73 + HD3 LYS 73 OK 94 94 - 100 HD3 LYS 43 + HD3 LYS 43 OK 94 94 - 100 HD2 LYS 73 + HD2 LYS 73 OK 92 92 - 100 HD3 LYS 20 + HD3 LYS 20 OK 86 86 - 100 HD2 LYS 20 + HD2 LYS 20 OK 81 81 - 100 HG12 ILE 71 - HG12 ILE 71 OK 36 36 - 100 Peak 6128 from cnoeabs.peaks (1.68, 1.68, 28.89 ppm; diagonal): 8 out of 9 assignments used, quality = 1.00: HD2 LYS 96 + HD2 LYS 96 OK 100 100 - 100 HD3 LYS 96 + HD3 LYS 96 OK 100 100 - 100 HD3 LYS 73 + HD3 LYS 73 OK 95 95 - 100 HD3 LYS 43 + HD3 LYS 43 OK 95 95 - 100 HD2 LYS 43 + HD2 LYS 43 OK 94 94 - 100 HD2 LYS 73 + HD2 LYS 73 OK 93 93 - 100 HD3 LYS 20 + HD3 LYS 20 OK 88 88 - 100 HD2 LYS 20 + HD2 LYS 20 OK 84 84 - 100 HG12 ILE 71 - HG12 ILE 71 OK 39 39 - 100 Reference assignment not found: HD3 LYS 96 - HD2 LYS 96 Peak 6129 from cnoeabs.peaks (2.93, 1.68, 28.89 ppm; 2.69 A): 4 out of 81 assignments used, quality = 1.00: * HE2 LYS 96 + HD2 LYS 96 OK 88 100 - 88 - 3.0=73, 1.8/6157=4...(38) HE3 LYS 96 + HD2 LYS 96 OK 88 100 - 88 - 3.0=73, 1.8/6157=4...(38) HE3 LYS 96 + HD3 LYS 96 OK 87 100 - 87 - 3.0=73, 1.8/6157=4...(36) HE2 LYS 96 + HD3 LYS 96 OK 87 100 - 87 - 3.0=73, 1.8/6157=4...(36) HE2 LYS 44 - HD2 LYS 96 OK 39 100 - 39 - 6147=3, 6099/3.4=2...(13) HE3 LYS 44 - HD2 LYS 96 OK 39 100 - 39 - 6157=3, 6099/3.4=2...(13) HE2 LYS 44 - HD3 LYS 96 OK 39 100 - 39 - 6147=3, 6099/3.4=2...(13) HE3 LYS 44 - HD3 LYS 96 OK 39 100 - 39 - 6147=3, 6099/3.4=2...(13) HE3 LYS 96 - HD3 LYS 73 lone 6 95 - 6 - HE2 LYS 96 - HD3 LYS 73 lone 6 95 - 6 - HE2 LYS 96 - HD2 LYS 73 lone 6 94 - 6 - HE3 LYS 96 - HD2 LYS 73 lone 6 94 - 6 - HE3 LYS 65 - HD2 LYS 96 lone 6 81 - 7 - HE2 LYS 65 - HD2 LYS 96 lone 6 81 - 7 - HE3 LYS 65 - HD3 LYS 96 lone 6 80 - 7 - HE2 LYS 65 - HD3 LYS 96 lone 6 80 - 7 - HE3 LYS 96 - HD3 LYS 20 lone 5 90 - 6 - HE2 LYS 96 - HD3 LYS 20 lone 5 90 - 6 - HE2 LYS 96 - HD2 LYS 20 lone 5 87 - 6 - HE3 LYS 96 - HD2 LYS 20 lone 5 87 - 6 - HE3 LYS 96 - HD2 LYS 43 lone 5 96 - 5 - HE2 LYS 96 - HD2 LYS 43 lone 5 96 - 5 - HE3 LYS 96 - HD3 LYS 43 lone 5 95 - 5 - HE2 LYS 96 - HD3 LYS 43 lone 5 95 - 5 - HE3 LYS 44 - HD2 LYS 43 lone 3 96 - 3 - HE2 LYS 44 - HD2 LYS 43 lone 3 96 - 3 - HE3 LYS 44 - HD3 LYS 43 lone 3 95 - 3 - HE2 LYS 44 - HD3 LYS 43 lone 3 95 - 3 - HE3 LYS 44 - HD3 LYS 73 lone 3 95 - 3 - HE2 LYS 44 - HD3 LYS 73 lone 3 95 - 3 - HE3 LYS 44 - HD2 LYS 73 lone 3 94 - 3 - HE2 LYS 44 - HD2 LYS 73 lone 3 94 - 3 - HD3 ARG 30 - HG12 ILE 71 lone 2 49 - 4 - ~9262=1 HE3 LYS 94 - HD2 LYS 96 lone 1 84 - 1 - HE3 LYS 94 - HD3 LYS 96 lone 1 83 - 1 - HE2 LYS 44 - HD3 LYS 20 lone 1 90 - 1 - HE3 LYS 44 - HD3 LYS 20 lone 1 90 - 1 - HE3 LYS 44 - HD2 LYS 20 lone 1 87 - 1 - HE2 LYS 44 - HD2 LYS 20 lone 1 87 - 1 - HE3 LYS 94 - HD2 LYS 43 lone 1 77 - 1 - HE3 LYS 94 - HD3 LYS 43 lone 1 76 - 1 - HD3 ARG 30 - HD2 LYS 96 lone 0 100 - 0 - HD3 ARG 30 - HD3 LYS 96 lone 0 99 - 0 - HD3 ARG 30 - HD3 LYS 20 lone 0 89 - 0 - HE3 LYS 65 - HD2 LYS 43 lone 0 73 - 0 - HE2 LYS 65 - HD2 LYS 43 lone 0 73 - 0 - HD3 ARG 30 - HD2 LYS 43 lone 0 95 - 0 - HD3 ARG 30 - HD3 LYS 73 lone 0 94 - 0 - HD3 ARG 30 - HD2 LYS 20 lone 0 86 - 0 - HE3 LYS 96 - HG12 ILE 71 lone 0 50 - 1 - HE2 LYS 96 - HG12 ILE 71 lone 0 50 - 1 - HE3 LYS 65 - HD3 LYS 43 lone 0 72 - 0 - HE2 LYS 65 - HD3 LYS 43 lone 0 72 - 0 - HD3 ARG 30 - HD3 LYS 43 lone 0 94 - 0 - HD3 ARG 30 - HD2 LYS 73 lone 0 93 - 0 - HE3 LYS 65 - HD3 LYS 20 lone 0 67 - 0 - HE2 LYS 65 - HD3 LYS 20 lone 0 67 - 0 - HE3 LYS 94 - HD3 LYS 20 lone 0 70 - 0 - HB2 ASP 86 - HD2 LYS 96 lone 0 100 - 0 - HB2 ASP 86 - HD3 LYS 96 lone 0 99 - 0 - HE3 LYS 65 - HD2 LYS 20 lone 0 64 - 0 - HE2 LYS 65 - HD2 LYS 20 lone 0 64 - 0 - HE3 LYS 94 - HD2 LYS 20 lone 0 67 - 0 - HE2 LYS 65 - HD3 LYS 73 lone 0 72 - 0 - HE3 LYS 65 - HD3 LYS 73 lone 0 72 - 0 - HE3 LYS 65 - HD2 LYS 73 lone 0 71 - 0 - HE2 LYS 65 - HD2 LYS 73 lone 0 71 - 0 - HE3 LYS 94 - HD3 LYS 73 lone 0 76 - 0 - HE3 LYS 94 - HD2 LYS 73 lone 0 74 - 0 - HB2 ASP 86 - HD3 LYS 73 lone 0 94 - 0 - HB2 ASP 86 - HD2 LYS 43 lone 0 95 - 0 - HB2 ASP 86 - HD2 LYS 73 lone 0 93 - 0 - HB2 ASP 86 - HD3 LYS 43 lone 0 94 - 0 - HB2 ASP 86 - HG12 ILE 71 lone 0 49 - 0 - HB2 ASP 86 - HD3 LYS 20 lone 0 89 - 0 - HB2 ASP 86 - HD2 LYS 20 lone 0 86 - 0 - HE2 LYS 44 - HG12 ILE 71 lone 0 50 - 0 - HE3 LYS 44 - HG12 ILE 71 lone 0 50 - 0 - HE2 LYS 65 - HG12 ILE 71 lone 0 34 - 0 - HE3 LYS 65 - HG12 ILE 71 lone 0 34 - 0 - HE3 LYS 94 - HG12 ILE 71 lone 0 36 - 0 - Peak 6130 from cnoeabs.peaks (2.93, 1.68, 28.89 ppm; 2.69 A): 4 out of 81 assignments used, quality = 1.00: HE2 LYS 96 + HD2 LYS 96 OK 88 100 - 88 - 3.0=73, 1.8/6157=4...(38) * HE3 LYS 96 + HD2 LYS 96 OK 88 100 - 88 - 3.0=73, 1.8/6157=4...(38) HE3 LYS 96 + HD3 LYS 96 OK 87 100 - 87 - 3.0=73, 1.8/6157=4...(36) HE2 LYS 96 + HD3 LYS 96 OK 87 100 - 87 - 3.0=73, 1.8/6157=4...(36) HE2 LYS 44 - HD2 LYS 96 OK 39 100 - 39 - 6147=3, 6099/3.4=2...(13) HE3 LYS 44 - HD2 LYS 96 OK 39 100 - 39 - 6157=3, 6099/3.4=2...(13) HE2 LYS 44 - HD3 LYS 96 OK 39 100 - 39 - 6147=3, 6099/3.4=2...(13) HE3 LYS 44 - HD3 LYS 96 OK 39 100 - 39 - 6147=3, 6099/3.4=2...(13) HE3 LYS 96 - HD3 LYS 73 lone 6 95 - 6 - HE2 LYS 96 - HD3 LYS 73 lone 6 95 - 6 - HE2 LYS 96 - HD2 LYS 73 lone 6 94 - 6 - HE3 LYS 96 - HD2 LYS 73 lone 6 94 - 6 - HE3 LYS 65 - HD2 LYS 96 lone 6 81 - 7 - HE2 LYS 65 - HD2 LYS 96 lone 6 81 - 7 - HE3 LYS 65 - HD3 LYS 96 lone 6 80 - 7 - HE2 LYS 65 - HD3 LYS 96 lone 6 80 - 7 - HE3 LYS 96 - HD3 LYS 20 lone 5 90 - 6 - HE2 LYS 96 - HD3 LYS 20 lone 5 90 - 6 - HE2 LYS 96 - HD2 LYS 20 lone 5 87 - 6 - HE3 LYS 96 - HD2 LYS 20 lone 5 87 - 6 - HE3 LYS 96 - HD2 LYS 43 lone 5 96 - 5 - HE2 LYS 96 - HD2 LYS 43 lone 5 96 - 5 - HE3 LYS 96 - HD3 LYS 43 lone 5 95 - 5 - HE2 LYS 96 - HD3 LYS 43 lone 5 95 - 5 - HE3 LYS 44 - HD2 LYS 43 lone 3 96 - 3 - HE2 LYS 44 - HD2 LYS 43 lone 3 96 - 3 - HE3 LYS 44 - HD3 LYS 43 lone 3 95 - 3 - HE2 LYS 44 - HD3 LYS 43 lone 3 95 - 3 - HE3 LYS 44 - HD3 LYS 73 lone 3 95 - 3 - HE2 LYS 44 - HD3 LYS 73 lone 3 95 - 3 - HE3 LYS 44 - HD2 LYS 73 lone 3 94 - 3 - HE2 LYS 44 - HD2 LYS 73 lone 3 94 - 3 - HD3 ARG 30 - HG12 ILE 71 lone 2 49 - 4 - ~9262=1 HE3 LYS 94 - HD2 LYS 96 lone 1 84 - 1 - HE3 LYS 94 - HD3 LYS 96 lone 1 83 - 1 - HE2 LYS 44 - HD3 LYS 20 lone 1 90 - 1 - HE3 LYS 44 - HD3 LYS 20 lone 1 90 - 1 - HE3 LYS 44 - HD2 LYS 20 lone 1 87 - 1 - HE2 LYS 44 - HD2 LYS 20 lone 1 87 - 1 - HE3 LYS 94 - HD2 LYS 43 lone 1 77 - 1 - HE3 LYS 94 - HD3 LYS 43 lone 1 76 - 1 - HD3 ARG 30 - HD2 LYS 96 lone 0 100 - 0 - HD3 ARG 30 - HD3 LYS 96 lone 0 99 - 0 - HD3 ARG 30 - HD3 LYS 20 lone 0 89 - 0 - HE3 LYS 65 - HD2 LYS 43 lone 0 73 - 0 - HE2 LYS 65 - HD2 LYS 43 lone 0 73 - 0 - HD3 ARG 30 - HD2 LYS 43 lone 0 95 - 0 - HD3 ARG 30 - HD3 LYS 73 lone 0 94 - 0 - HD3 ARG 30 - HD2 LYS 20 lone 0 86 - 0 - HE3 LYS 96 - HG12 ILE 71 lone 0 50 - 1 - HE2 LYS 96 - HG12 ILE 71 lone 0 50 - 1 - HE3 LYS 65 - HD3 LYS 43 lone 0 72 - 0 - HE2 LYS 65 - HD3 LYS 43 lone 0 72 - 0 - HD3 ARG 30 - HD3 LYS 43 lone 0 94 - 0 - HD3 ARG 30 - HD2 LYS 73 lone 0 93 - 0 - HE3 LYS 65 - HD3 LYS 20 lone 0 67 - 0 - HE2 LYS 65 - HD3 LYS 20 lone 0 67 - 0 - HE3 LYS 94 - HD3 LYS 20 lone 0 70 - 0 - HB2 ASP 86 - HD2 LYS 96 lone 0 100 - 0 - HB2 ASP 86 - HD3 LYS 96 lone 0 99 - 0 - HE3 LYS 65 - HD2 LYS 20 lone 0 64 - 0 - HE2 LYS 65 - HD2 LYS 20 lone 0 64 - 0 - HE3 LYS 94 - HD2 LYS 20 lone 0 67 - 0 - HE2 LYS 65 - HD3 LYS 73 lone 0 72 - 0 - HE3 LYS 65 - HD3 LYS 73 lone 0 72 - 0 - HE3 LYS 65 - HD2 LYS 73 lone 0 71 - 0 - HE2 LYS 65 - HD2 LYS 73 lone 0 71 - 0 - HE3 LYS 94 - HD3 LYS 73 lone 0 76 - 0 - HE3 LYS 94 - HD2 LYS 73 lone 0 74 - 0 - HB2 ASP 86 - HD3 LYS 73 lone 0 94 - 0 - HB2 ASP 86 - HD2 LYS 43 lone 0 95 - 0 - HB2 ASP 86 - HD2 LYS 73 lone 0 93 - 0 - HB2 ASP 86 - HD3 LYS 43 lone 0 94 - 0 - HB2 ASP 86 - HG12 ILE 71 lone 0 49 - 0 - HB2 ASP 86 - HD3 LYS 20 lone 0 89 - 0 - HB2 ASP 86 - HD2 LYS 20 lone 0 86 - 0 - HE2 LYS 44 - HG12 ILE 71 lone 0 50 - 0 - HE3 LYS 44 - HG12 ILE 71 lone 0 50 - 0 - HE2 LYS 65 - HG12 ILE 71 lone 0 34 - 0 - HE3 LYS 65 - HG12 ILE 71 lone 0 34 - 0 - HE3 LYS 94 - HG12 ILE 71 lone 0 36 - 0 - Peak 6131 from cnoeabs.peaks (7.79, 1.68, 28.89 ppm; 4.48 A): 4 out of 27 assignments used, quality = 1.00: * H LYS 96 + HD3 LYS 96 OK 93 100 - 93 - 5.7=48, 6091/3.4=25...(32) H LYS 96 + HD2 LYS 96 OK 92 100 - 93 - 5.7=48, 6091/3.4=25...(32) H LYS 40 + HD3 LYS 96 OK 57 97 - 59 - 6091/3.4=14, 2040/5.3=10...(20) H LYS 40 + HD2 LYS 96 OK 57 96 - 59 - 6091/3.4=14, 2040/5.3=10...(20) H LYS 40 - HD3 LYS 43 OK 33 91 - 36 - 1253/2.9=6, ~3652=4...(17) H LYS 40 - HD2 LYS 43 OK 31 88 - 36 - 1253/2.9=6, ~3652=4...(17) H LYS 96 - HD3 LYS 20 OK 20 94 - 21 - 607/3.4=2, 607/3.4=2...(9) H LYS 96 - HD3 LYS 43 OK 20 97 - 20 - 608=2, 608/1.8=2...(8) H LYS 96 - HD2 LYS 20 OK 20 92 - 21 - 607/3.4=2, 607/3.4=2...(9) H LYS 96 - HD2 LYS 43 OK 19 94 - 20 - 608=2, 4.1/6097=2...(8) H LYS 96 - HD3 LYS 73 OK 19 97 - 20 - 4.1/6097=2, 2.9/6077=2...(11) H LYS 96 - HD2 LYS 73 OK 19 96 - 20 - 4.1/6097=2, 2.9/6077=2...(11) H LYS 40 - HD3 LYS 20 OK 17 88 - 19 - 4.0/3665=1, 3.0/3655=1...(8) H LYS 40 - HD2 LYS 20 OK 16 87 - 19 - 4.0/3664=1, 1257/3.0=1...(8) H LYS 40 - HD3 LYS 73 OK 12 91 - 13 - 4.0/3665=1 H LYS 40 - HD2 LYS 73 OK 12 91 - 13 - 4.0/3665=1 H GLU 66 - HD3 LYS 96 lone 3 70 - 5 - H GLU 66 - HD2 LYS 96 lone 3 69 - 4 - H LYS 96 - HG12 ILE 71 lone 3 58 - 4 - 2163/4.6=2 H GLU 66 - HD3 LYS 43 lone 1 63 - 2 - H GLU 66 - HD3 LYS 20 lone 1 60 - 2 - H GLU 66 - HD2 LYS 20 lone 1 59 - 2 - H GLU 66 - HD2 LYS 43 lone 1 60 - 2 - H GLU 66 - HG12 ILE 71 lone 1 33 - 3 - 3.6/11370=1 H GLU 66 - HD3 LYS 73 lone 1 63 - 1 - H GLU 66 - HD2 LYS 73 lone 1 63 - 1 - H LYS 40 - HG12 ILE 71 lone 1 53 - 2 - Peak 6132 from cnoeabs.peaks (4.07, 1.68, 28.89 ppm; 3.38 A): 4 out of 72 assignments used, quality = 0.99: HA LYS 96 + HD2 LYS 96 OK 87 100 - 87 - 5.3=25, 6076/3.0=13...(39) * HA LYS 96 + HD3 LYS 96 OK 87 100 - 87 - 5.3=25, 6076/3.0=13...(39) HA LYS 44 + HD2 LYS 96 OK 47 99 - 48 - 3905/3.0=7, 3904/3.0=5...(15) HA LYS 44 + HD3 LYS 96 OK 47 99 - 47 - 3905/3.0=7, 3904/3.0=5...(15) HA LYS 96 - HD3 LYS 73 OK 21 97 - 21 - 6077=2, 3.0/6097=2, 6077/1.8=2 HA LYS 96 - HD2 LYS 73 OK 20 96 - 21 - 6077=2, 3.0/6097=2, 6077/1.8=2 HA LYS 96 - HD3 LYS 20 OK 19 94 - 20 - 6077=2, 3.0/6097=2, 6077/1.8=2 HA LYS 96 - HD2 LYS 20 OK 19 92 - 20 - 6077=2, 3.0/6097=2, 6077/1.8=2 HA LYS 44 - HD2 LYS 43 OK 19 92 - 20 - ~256=5, ~7505=4...(7) HA LYS 44 - HD3 LYS 43 OK 18 95 - 19 - ~256=5, ~7505=4...(6) HA LYS 96 - HD3 LYS 43 OK 18 97 - 18 - 6077=2, 6077/1.8=1, 3.0/6097=1 HA LYS 96 - HD2 LYS 43 OK 18 94 - 19 - 6077=2, 3.0/6097=1, 6077/1.8=1 HA LYS 44 - HD3 LYS 73 OK 11 95 - 12 - 2127/6.4=2, 3904/3.0=1 HA LYS 44 - HD2 LYS 73 OK 11 94 - 12 - 2127/6.4=2, 3904/3.0=1 HA GLU 69 - HD3 LYS 73 OK 11 86 - 13 - 2127/6.4=3, 3.6/5183=2...(4) HA GLU 69 - HD2 LYS 73 OK 11 85 - 13 - 2127/6.4=3, 3.6/5183=2...(4) HA LYS 44 - HD3 LYS 20 lone 5 92 - 5 - HA LYS 44 - HD2 LYS 20 lone 5 90 - 5 - HA GLU 91 - HD3 LYS 96 lone 4 96 - 4 - HA GLU 91 - HD2 LYS 96 lone 4 95 - 4 - HA3 GLY 125 - HD3 LYS 96 lone 4 100 - 3 - HA3 GLY 125 - HD2 LYS 96 lone 4 100 - 3 - HA2 GLY 125 - HD3 LYS 96 lone 3 84 - 4 - HA2 GLY 125 - HD2 LYS 96 lone 3 83 - 4 - HA GLU 69 - HD3 LYS 96 lone 2 92 - 2 - HA GLU 69 - HD2 LYS 96 lone 2 91 - 3 - HA GLU 69 - HG12 ILE 71 lone 2 48 - 4 - HA GLU 37 - HD3 LYS 96 lone 2 98 - 2 - HA GLU 37 - HD2 LYS 96 lone 2 98 - 2 - HA GLU 69 - HD3 LYS 43 lone 1 86 - 2 - HA GLU 69 - HD2 LYS 43 lone 1 82 - 2 - HA LYS 96 - HG12 ILE 71 lone 1 58 - 2 - HA GLU 69 - HD3 LYS 20 lone 1 82 - 1 - HA GLU 37 - HD3 LYS 73 lone 1 93 - 1 - HA GLU 37 - HD2 LYS 73 lone 1 92 - 1 - HA GLU 69 - HD2 LYS 20 lone 1 80 - 1 - HA SER 35 - HD3 LYS 96 lone 1 61 - 2 - HA SER 35 - HD2 LYS 96 lone 1 61 - 2 - HA3 GLY 125 - HD3 LYS 73 lone 1 96 - 1 - HA3 GLY 125 - HD2 LYS 73 lone 1 96 - 1 - HA GLU 91 - HD3 LYS 20 lone 1 87 - 1 - HA LYS 44 - HG12 ILE 71 lone 1 57 - 2 - HA GLU 91 - HD2 LYS 20 lone 1 85 - 1 - HA2 GLY 125 - HD3 LYS 73 lone 1 77 - 1 - HA2 GLY 125 - HD2 LYS 73 lone 1 77 - 1 - HA SER 35 - HD3 LYS 73 lone 1 56 - 1 - HA SER 35 - HD2 LYS 73 lone 1 55 - 1 - HA GLU 91 - HD3 LYS 43 lone 1 90 - 1 - HA GLU 91 - HD2 LYS 43 lone 1 87 - 1 - HA GLU 91 - HD3 LYS 73 lone 1 90 - 1 - HA GLU 91 - HD2 LYS 73 lone 1 89 - 1 - HA GLU 37 - HD3 LYS 43 lone 1 93 - 1 - HA3 GLY 125 - HD3 LYS 43 lone 1 96 - 1 - HA GLU 37 - HD2 LYS 43 lone 1 90 - 1 - HA3 GLY 125 - HD3 LYS 20 lone 1 93 - 1 - HA3 GLY 125 - HD2 LYS 43 lone 1 93 - 1 - HA3 GLY 125 - HD2 LYS 20 lone 1 92 - 1 - HA SER 35 - HD3 LYS 43 lone 1 56 - 1 - HA SER 35 - HD3 LYS 20 lone 1 53 - 1 - HA2 GLY 125 - HD3 LYS 43 lone 1 77 - 1 - HA GLU 37 - HD3 LYS 20 lone 1 90 - 1 - HA SER 35 - HD2 LYS 20 lone 1 51 - 1 - HA GLU 37 - HD2 LYS 20 lone 1 88 - 1 - HA2 GLY 125 - HD2 LYS 43 lone 1 74 - 1 - HA SER 35 - HD2 LYS 43 lone 1 53 - 1 - HA2 GLY 125 - HD3 LYS 20 lone 1 74 - 1 - HA2 GLY 125 - HD2 LYS 20 lone 1 72 - 1 - HA3 GLY 125 - HG12 ILE 71 lone 1 58 - 1 - HA2 GLY 125 - HG12 ILE 71 lone 0 42 - 1 - HA GLU 37 - HG12 ILE 71 lone 0 54 - 1 - HA GLU 91 - HG12 ILE 71 lone 0 52 - 1 - HA SER 35 - HG12 ILE 71 lone 0 29 - 1 - Peak 6133 from cnoeabs.peaks (1.90, 1.68, 28.89 ppm; 2.72 A): 14 out of 180 assignments used, quality = 1.00: HB2 LYS 96 + HD2 LYS 96 OK 84 100 - 84 - 3.4=49, 1.8/6097=8...(39) * HB2 LYS 96 + HD3 LYS 96 OK 84 100 - 84 - 3.4=49, 1.8/6097=8...(38) HB2 LYS 73 + HD3 LYS 73 OK 70 93 - 75 - 3.8=35, 2.9/5170=7...(35) HB2 LYS 73 + HD2 LYS 73 OK 69 92 - 75 - 3.8=35, 2.9/5170=7...(35) HB3 LYS 43 + HD3 LYS 43 OK 69 97 - 71 - 3.8=35, 3.0/3846=6...(28) HB3 LYS 73 + HD3 LYS 73 OK 68 91 - 75 - 3.8=35, 2.9/5170=7...(35) HB3 LYS 73 + HD2 LYS 73 OK 68 91 - 74 - 3.8=35, 2.9/5170=7...(35) HB3 LYS 43 + HD2 LYS 43 OK 68 94 - 72 - 3.8=35, 3.0/3846=7...(31) HB2 LYS 43 + HD3 LYS 43 OK 67 93 - 72 - 3.8=35, 3.0/3846=6...(28) HB2 LYS 43 + HD2 LYS 43 OK 66 90 - 73 - 3.8=35, 3.0/3846=7...(31) HB3 LYS 20 + HD3 LYS 20 OK 65 80 - 82 - 3.4=49, 2.9/3079=6...(38) HB2 LYS 20 + HD3 LYS 20 OK 65 80 - 82 - 3.4=49, 2.9/3079=6...(38) HB2 LYS 20 + HD2 LYS 20 OK 64 78 - 82 - 3.4=49, 2.9/3079=6...(39) HB3 LYS 20 + HD2 LYS 20 OK 64 78 - 82 - 3.4=49, 2.9/3079=6...(39) HB ILE 71 - HG12 ILE 71 OK 44 56 - 79 - 3.0=73, ~5089=9, ~5107=7...(6) HB3 LYS 44 - HD2 LYS 96 OK 39 98 - 40 - 2.9/6107=2, 2.9/6126=2...(7) HB3 LYS 44 - HD3 LYS 96 OK 38 99 - 39 - 2.9/6107=2, 2.9/6126=2...(7) HB2 LYS 44 - HD2 LYS 96 OK 36 91 - 40 - 2.9/6107=2, 2.9/6126=2...(7) HB2 LYS 44 - HD3 LYS 96 OK 36 92 - 39 - 2.9/6107=2, 2.9/6126=2...(7) HB3 LYS 20 - HD3 LYS 73 OK 25 83 - 31 - 2.9/3079=2, 2.9/3069=2 HB2 LYS 20 - HD3 LYS 73 OK 25 83 - 31 - 2.9/3079=2, 2.9/3069=2 HB3 LYS 20 - HD3 LYS 43 OK 25 83 - 30 - 2.9/3069=2, 2.9/3079=2...(5) HB2 LYS 20 - HD3 LYS 43 OK 25 83 - 30 - 2.9/3069=2, 2.9/3079=2...(5) HB3 LYS 20 - HD2 LYS 73 OK 25 82 - 31 - 2.9/3079=2, 2.9/3069=2 HB2 LYS 20 - HD2 LYS 73 OK 25 82 - 31 - 2.9/3079=2, 2.9/3069=2 HB2 LYS 43 - HD3 LYS 20 OK 25 90 - 27 - 3.0/3816=2, 3.0/3847=2...(6) HB3 LYS 43 - HD3 LYS 20 OK 24 94 - 26 - 3.0/3816=2, 3.0/3847=2...(6) HB3 LYS 20 - HD2 LYS 43 OK 24 80 - 31 - 2.9/3069=2, 2.9/3079=2...(5) HB2 LYS 20 - HD2 LYS 43 OK 24 80 - 31 - 2.9/3069=2, 2.9/3079=2...(5) HB2 LYS 43 - HD2 LYS 20 OK 24 88 - 27 - 3.0/3816=2, 3.0/3847=1...(6) HB3 LYS 43 - HD2 LYS 20 OK 24 92 - 26 - 3.0/3816=2, 3.0/3847=1...(6) HB2 LYS 73 - HD3 LYS 20 OK 20 90 - 23 - 2.9/5170=2, 2.9/5187=1 HB2 LYS 73 - HD3 LYS 43 OK 20 93 - 22 - 2.9/5170=2, 2.9/5187=1 HB2 LYS 73 - HD2 LYS 43 OK 20 90 - 23 - 2.9/5170=2, 2.9/5160=1 HB2 LYS 73 - HD2 LYS 20 OK 20 88 - 23 - 2.9/5170=2, 2.9/5187=1 HB3 LYS 73 - HD3 LYS 20 OK 20 88 - 23 - 2.9/5170=2, 2.9/5187=1 HB3 LYS 73 - HD3 LYS 43 OK 20 91 - 22 - 2.9/5170=2, 2.9/5187=1 HB3 LYS 73 - HD2 LYS 43 OK 20 88 - 22 - 2.9/5170=2, 2.9/5160=1 HB3 LYS 73 - HD2 LYS 20 OK 19 87 - 23 - 2.9/5170=2, 2.9/5187=1 HB2 LYS 43 - HD3 LYS 73 OK 18 93 - 19 - 3.0/3846=1 HB3 LYS 43 - HD3 LYS 73 OK 18 97 - 18 - 3.0/3846=1 HB2 LYS 43 - HD2 LYS 73 OK 18 92 - 19 - 3.0/3846=1 HB3 LYS 43 - HD2 LYS 73 OK 18 96 - 18 - 3.0/3846=1 HB2 LYS 96 - HD3 LYS 73 OK 15 97 - 16 - 1.8/6097=2 HB2 LYS 96 - HD2 LYS 73 OK 15 96 - 16 - 1.8/6097=2 HB2 LYS 96 - HD3 LYS 20 OK 15 94 - 15 - 1.8/6097=2 HB2 ARG 95 - HD3 LYS 96 OK 14 99 - 15 - 7789/5.7=3, 3.0/6020=2...(6) HB2 ARG 95 - HD2 LYS 96 OK 14 99 - 15 - 7789/5.7=3, 3.0/6020=2...(5) HB2 LYS 96 - HD2 LYS 20 OK 14 92 - 15 - 1.8/6097=2 HB2 LYS 96 - HD3 LYS 43 OK 13 97 - 13 - 1.8/6097=1 HB2 LYS 96 - HD2 LYS 43 OK 13 94 - 14 - 1.8/6097=1 HB3 LYS 43 - HD3 LYS 96 OK 11 100 - 11 - HB2 LYS 43 - HD3 LYS 96 OK 11 98 - 11 - HB3 LYS 43 - HD2 LYS 96 OK 10 100 - 10 - HB2 LYS 43 - HD2 LYS 96 OK 10 98 - 11 - HB2 LYS 73 - HD2 LYS 96 poor 10 98 - 10 - HB2 LYS 73 - HD3 LYS 96 poor 10 98 - 10 - HB3 LYS 73 - HD2 LYS 96 lone 10 96 - 10 - HB3 LYS 73 - HD3 LYS 96 lone 10 97 - 10 - HB3 LYS 20 - HD3 LYS 96 poor 10 90 - 11 - HB2 LYS 20 - HD3 LYS 96 poor 10 90 - 11 - HB2 LYS 20 - HD2 LYS 96 poor 10 89 - 11 - HB3 LYS 20 - HD2 LYS 96 poor 10 89 - 11 - HB3 LYS 44 - HD2 LYS 43 lone 9 91 - 9 - HB3 LYS 44 - HD3 LYS 43 lone 8 94 - 9 - HB2 LYS 44 - HD2 LYS 43 lone 8 82 - 10 - HB2 LYS 44 - HD3 LYS 43 lone 8 86 - 9 - HB3 LYS 44 - HD3 LYS 73 lone 7 94 - 8 - HB3 LYS 44 - HD2 LYS 73 lone 7 94 - 8 - HB2 LYS 44 - HD3 LYS 73 lone 7 86 - 8 - HB2 LYS 44 - HD2 LYS 73 lone 7 85 - 8 - HB ILE 71 - HD2 LYS 73 lone 6 94 - 6 - ~9773=1 HB ILE 71 - HD3 LYS 73 lone 6 94 - 6 - ~9773=1 HB2 LEU 45 - HD2 LYS 73 lone 5 95 - 5 - HB2 LEU 45 - HD3 LYS 73 lone 5 96 - 5 - HB2 ARG 95 - HD3 LYS 20 lone 4 92 - 5 - HB2 ARG 95 - HD2 LYS 20 lone 4 90 - 5 - HB2 LEU 45 - HD3 LYS 20 lone 4 93 - 4 - HB2 LEU 45 - HD2 LYS 20 lone 4 91 - 4 - HB3 LYS 123 - HD3 LYS 96 lone 4 84 - 4 - HB2 LEU 45 - HD3 LYS 96 lone 4 100 - 4 - HB3 LYS 123 - HD2 LYS 96 lone 3 83 - 4 - HB2 LEU 45 - HD2 LYS 96 lone 3 99 - 3 - HB3 LYS 44 - HD3 LYS 20 lone 3 91 - 3 - HB2 ARG 95 - HD3 LYS 73 lone 3 95 - 3 - HB2 ARG 95 - HD2 LYS 73 lone 3 94 - 3 - HB3 LYS 44 - HD2 LYS 20 lone 3 89 - 3 - HB2 LYS 44 - HD3 LYS 20 lone 3 82 - 4 - HB2 ARG 95 - HD3 LYS 43 lone 3 95 - 3 - HB2 LYS 44 - HD2 LYS 20 lone 3 80 - 4 - HB2 ARG 95 - HD2 LYS 43 lone 3 92 - 3 - HB3 LYS 123 - HG12 ILE 71 lone 3 42 - 6 - ~10612=2 HB2 LYS 73 - HG12 ILE 71 lone 3 54 - 5 - 1467/4.6=1 HB3 LYS 73 - HG12 ILE 71 lone 3 53 - 5 - 1467/4.6=1 HB ILE 71 - HD3 LYS 96 lone 2 99 - 2 - HB2 LEU 45 - HD3 LYS 43 lone 2 96 - 2 - HB ILE 71 - HD2 LYS 96 lone 2 98 - 2 - HB2 LEU 45 - HD2 LYS 43 lone 2 93 - 2 - HG LEU 45 - HD3 LYS 73 lone 2 56 - 4 - HG LEU 45 - HD2 LYS 73 lone 2 55 - 3 - HG LEU 45 - HD3 LYS 20 lone 2 53 - 3 - HG LEU 45 - HD2 LYS 20 lone 2 51 - 3 - HG LEU 45 - HD3 LYS 96 lone 2 61 - 3 - HG LEU 45 - HD2 LYS 96 lone 2 61 - 3 - HB2 LYS 96 - HG12 ILE 71 lone 2 58 - 3 - HB ILE 71 - HD3 LYS 20 lone 1 91 - 1 - HB ILE 71 - HD2 LYS 20 lone 1 89 - 1 - HB2 GLU 128 - HD3 LYS 96 lone 1 100 - 1 - HB2 GLU 128 - HD2 LYS 96 lone 1 100 - 1 - HG LEU 45 - HD3 LYS 43 lone 1 56 - 2 - HG LEU 45 - HD2 LYS 43 lone 1 53 - 2 - HB3 LYS 123 - HD3 LYS 43 lone 1 77 - 1 - HB ILE 15 - HD3 LYS 73 lone 1 74 - 1 - HB ILE 15 - HD2 LYS 73 lone 1 73 - 1 - HB2 LEU 45 - HG12 ILE 71 lone 1 57 - 2 - HB3 LYS 123 - HD3 LYS 20 lone 1 74 - 1 - HB3 LYS 123 - HD2 LYS 20 lone 1 72 - 1 - HB3 LYS 123 - HD3 LYS 73 lone 1 77 - 1 - HB3 LYS 123 - HD2 LYS 73 lone 1 77 - 1 - HB3 LYS 123 - HD2 LYS 43 lone 1 74 - 1 - HB3 LYS 44 - HG12 ILE 71 lone 1 56 - 1 - HB ILE 71 - HD3 LYS 43 lone 1 94 - 1 - HB ILE 7 - HD3 LYS 20 lone 1 85 - 1 - HB ILE 7 - HD2 LYS 20 lone 1 83 - 1 - HB ILE 7 - HD3 LYS 43 lone 1 88 - 1 - HB ILE 7 - HD2 LYS 43 lone 1 85 - 1 - HB ILE 71 - HD2 LYS 43 lone 0 91 - 1 - HB2 LYS 44 - HG12 ILE 71 lone 1 48 - 1 - HB2 LYS 49 - HG12 ILE 71 lone 0 58 - 1 - HB ILE 7 - HD3 LYS 96 lone 0 94 - 0 - HB ILE 7 - HD2 LYS 96 lone 0 93 - 0 - HB2 LYS 49 - HD3 LYS 96 lone 0 100 - 0 - HB2 LYS 49 - HD2 LYS 96 lone 0 100 - 0 - HB ILE 7 - HD3 LYS 73 lone 0 88 - 0 - HB ILE 7 - HD2 LYS 73 lone 0 87 - 0 - HB2 LYS 49 - HD3 LYS 20 lone 0 93 - 0 - HB2 LYS 49 - HD2 LYS 20 lone 0 92 - 0 - HG LEU 45 - HG12 ILE 71 lone 0 29 - 1 - HB2 ARG 95 - HG12 ILE 71 lone 0 57 - 1 - HB2 GLU 128 - HD3 LYS 73 lone 0 97 - 0 - HB2 GLU 128 - HD2 LYS 73 lone 0 96 - 0 - HB2 LYS 20 - HG12 ILE 71 lone 0 46 - 1 - HB3 LYS 20 - HG12 ILE 71 lone 0 46 - 1 - HB2 GLU 128 - HD3 LYS 20 lone 0 94 - 0 - HB2 GLU 128 - HD2 LYS 20 lone 0 92 - 0 - HB2 GLU 128 - HD3 LYS 43 lone 0 97 - 0 - HB2 LYS 49 - HD3 LYS 73 lone 0 96 - 0 - HB ILE 15 - HD3 LYS 20 lone 0 71 - 0 - HB2 LYS 49 - HD2 LYS 73 lone 0 96 - 0 - HB2 GLU 128 - HD2 LYS 43 lone 0 94 - 0 - HB2 LYS 49 - HD3 LYS 43 lone 0 96 - 0 - HB ILE 15 - HD2 LYS 20 lone 0 69 - 0 - HB3 LYS 43 - HG12 ILE 71 lone 0 58 - 0 - HB2 LYS 49 - HD2 LYS 43 lone 0 93 - 0 - HB ILE 15 - HD3 LYS 96 lone 0 81 - 0 - HB ILE 15 - HD2 LYS 96 lone 0 80 - 0 - HB2 LYS 43 - HG12 ILE 71 lone 0 54 - 0 - HB ILE 15 - HD3 LYS 43 lone 0 74 - 0 - HB ILE 15 - HD2 LYS 43 lone 0 71 - 0 - HB ILE 7 - HG12 ILE 71 lone 0 50 - 0 - HG2 MET 121 - HD3 LYS 20 lone 0 64 - 0 - HB2 GLU 128 - HG12 ILE 71 lone 0 58 - 0 - HG2 MET 121 - HD2 LYS 20 lone 0 62 - 0 - HB2 LEU 81 - HD3 LYS 96 lone 0 65 - 0 - HB ILE 15 - HG12 ILE 71 lone 0 40 - 0 - HB2 LEU 81 - HD2 LYS 96 lone 0 65 - 0 - HG2 MET 121 - HD3 LYS 96 lone 0 73 - 0 - HG2 MET 121 - HD2 LYS 96 lone 0 73 - 0 - HB2 LEU 81 - HD3 LYS 73 lone 0 59 - 0 - HG2 MET 121 - HD3 LYS 73 lone 0 67 - 0 - HB2 LEU 81 - HD2 LYS 73 lone 0 59 - 0 - HG2 MET 121 - HD2 LYS 73 lone 0 66 - 0 - HG2 MET 121 - HD3 LYS 43 lone 0 67 - 0 - HB2 LEU 81 - HD3 LYS 20 lone 0 57 - 0 - HB2 LEU 81 - HD3 LYS 43 lone 0 59 - 0 - HG2 MET 121 - HD2 LYS 43 lone 0 64 - 0 - HB2 LEU 81 - HD2 LYS 20 lone 0 55 - 0 - HB2 LEU 81 - HD2 LYS 43 lone 0 57 - 0 - HG2 MET 121 - HG12 ILE 71 lone 0 36 - 0 - HB2 LEU 81 - HG12 ILE 71 lone 0 31 - 0 - Peak 6134 from cnoeabs.peaks (1.97, 1.68, 28.89 ppm; 3.11 A): 2 out of 81 assignments used, quality = 1.00: * HB3 LYS 96 + HD3 LYS 96 OK 96 100 - 96 - 3.4=73, 6097/1.8=10...(53) HB3 LYS 96 + HD2 LYS 96 OK 96 100 - 96 - 3.4=73, 6097/1.8=10...(54) HB3 LYS 96 - HD3 LYS 73 OK 23 97 - 24 - 6097=3, 6097/1.8=2...(5) HB3 LYS 96 - HD2 LYS 73 OK 23 96 - 24 - 6097=3, 6097/1.8=2...(5) HB3 LYS 96 - HD3 LYS 20 OK 21 94 - 23 - 6097=2, 6097/1.8=2, 2.9/6117=1 HB3 LYS 96 - HD2 LYS 20 OK 21 92 - 23 - 6097=2, 6097/1.8=2, 2.9/6117=1 HB3 LYS 96 - HD2 LYS 43 OK 19 94 - 20 - 6097=2, 6097/1.8=2 HB3 ARG 95 - HD3 LYS 96 OK 19 100 - 19 - 7790/5.7=4, 3.0/6020=2...(4) HB3 ARG 95 - HD2 LYS 96 OK 19 100 - 19 - 7790/5.7=4, 3.0/6020=3...(4) HB3 LYS 96 - HD3 LYS 43 OK 19 97 - 19 - 6097=2, 6097/1.8=2 HB2 LYS 40 - HD3 LYS 43 OK 15 56 - 26 - 1.8/3675=2, 2.7/3695=1...(6) HB2 LYS 40 - HD2 LYS 43 OK 14 53 - 27 - 1.8/3675=2, 2.7/3695=1...(6) HB2 LYS 40 - HD3 LYS 96 OK 12 61 - 20 - 8044/5.3=2, 4.0/1256=1...(6) HB2 LYS 40 - HD2 LYS 96 OK 12 61 - 20 - 8044/5.3=2, 4.0/1256=1...(6) HB2 LYS 40 - HD3 LYS 20 poor 10 53 - 18 - 2.7/3694=1, 1.8/3675=1 HB2 LYS 40 - HD2 LYS 20 poor 9 51 - 18 - 2.7/3694=1, 1.8/3675=1 HB2 LYS 40 - HD3 LYS 73 poor 8 56 - 14 - HB2 LYS 40 - HD2 LYS 73 poor 8 55 - 14 - HB3 ARG 95 - HD3 LYS 20 lone 6 94 - 6 - HB3 ARG 95 - HD2 LYS 20 lone 6 92 - 6 - HB3 ARG 95 - HD3 LYS 73 lone 4 96 - 4 - HB3 ARG 95 - HD2 LYS 73 lone 4 96 - 4 - HB3 ARG 95 - HD3 LYS 43 lone 4 96 - 4 - HB3 ARG 95 - HD2 LYS 43 lone 4 94 - 4 - HB3 LYS 96 - HG12 ILE 71 lone 2 58 - 3 - HB3 GLU 128 - HD3 LYS 96 lone 1 70 - 2 - HB3 GLU 128 - HD2 LYS 96 lone 1 69 - 2 - HB3 GLU 21 - HD3 LYS 20 lone 1 93 - 1 - HB3 GLU 21 - HD2 LYS 20 lone 1 92 - 1 - HB3 GLU 21 - HD3 LYS 96 lone 0 100 - 0 - HB3 GLU 21 - HD2 LYS 96 lone 0 100 - 0 - HB VAL 22 - HD3 LYS 20 lone 0 74 - 1 - HB3 GLU 21 - HD3 LYS 73 lone 0 96 - 0 - HB3 GLU 21 - HD2 LYS 73 lone 0 96 - 0 - HB VAL 22 - HD2 LYS 20 lone 0 72 - 1 - HB3 GLU 21 - HD3 LYS 43 lone 0 96 - 0 - HB3 ARG 95 - HG12 ILE 71 lone 0 58 - 1 - HB3 GLU 21 - HG12 ILE 71 lone 0 58 - 1 - HB3 GLU 21 - HD2 LYS 43 lone 0 93 - 0 - HB VAL 22 - HD3 LYS 96 lone 0 84 - 0 - HB VAL 22 - HD2 LYS 96 lone 0 83 - 0 - HB3 GLU 52 - HG12 ILE 71 lone 0 29 - 1 - HB3 GLU 103 - HD3 LYS 96 lone 0 73 - 0 - HB3 GLU 103 - HD2 LYS 96 lone 0 73 - 0 - HB VAL 29 - HD3 LYS 96 lone 0 65 - 0 - HB VAL 29 - HD2 LYS 96 lone 0 65 - 0 - HB VAL 22 - HD3 LYS 73 lone 0 77 - 0 - HB VAL 22 - HD2 LYS 73 lone 0 77 - 0 - HB3 GLU 128 - HD3 LYS 43 lone 0 63 - 0 - HB3 GLU 128 - HD3 LYS 73 lone 0 63 - 0 - HB3 GLU 128 - HD2 LYS 73 lone 0 63 - 0 - HB VAL 22 - HD3 LYS 43 lone 0 77 - 0 - HB3 GLU 128 - HD2 LYS 43 lone 0 60 - 0 - HB3 GLU 128 - HD3 LYS 20 lone 0 60 - 0 - HB3 GLU 103 - HD3 LYS 43 lone 0 67 - 0 - HB VAL 22 - HD2 LYS 43 lone 0 74 - 0 - HB3 GLU 128 - HD2 LYS 20 lone 0 59 - 0 - HB3 GLU 103 - HD3 LYS 73 lone 0 67 - 0 - HB3 GLU 103 - HD2 LYS 43 lone 0 64 - 0 - HB3 GLU 103 - HD2 LYS 73 lone 0 66 - 0 - HB3 GLU 52 - HD3 LYS 96 lone 0 61 - 0 - HB3 GLU 52 - HD2 LYS 96 lone 0 61 - 0 - HB VAL 29 - HD3 LYS 43 lone 0 59 - 0 - HB3 GLU 103 - HD3 LYS 20 lone 0 64 - 0 - HB3 GLU 103 - HD2 LYS 20 lone 0 62 - 0 - HB VAL 29 - HD2 LYS 43 lone 0 57 - 0 - HB VAL 29 - HD3 LYS 20 lone 0 57 - 0 - HB VAL 29 - HD3 LYS 73 lone 0 59 - 0 - HB VAL 29 - HD2 LYS 73 lone 0 59 - 0 - HB VAL 29 - HD2 LYS 20 lone 0 55 - 0 - HB3 GLU 52 - HD3 LYS 43 lone 0 56 - 0 - HB3 GLU 52 - HD3 LYS 20 lone 0 53 - 0 - HB3 GLU 52 - HD3 LYS 73 lone 0 56 - 0 - HB3 GLU 52 - HD2 LYS 73 lone 0 55 - 0 - HB3 GLU 52 - HD2 LYS 20 lone 0 51 - 0 - HB VAL 22 - HG12 ILE 71 lone 0 42 - 0 - HB3 GLU 52 - HD2 LYS 43 lone 0 53 - 0 - HB2 LYS 40 - HG12 ILE 71 lone 0 29 - 0 - HB3 GLU 128 - HG12 ILE 71 lone 0 33 - 0 - HB3 GLU 103 - HG12 ILE 71 lone 0 36 - 0 - HB VAL 29 - HG12 ILE 71 lone 0 31 - 0 - Peak 6135 from cnoeabs.peaks (1.44, 1.68, 28.89 ppm; 2.55 A): 2 out of 144 assignments used, quality = 0.98: HG2 LYS 96 + HD2 LYS 96 OK 85 100 - 85 - 3.0=64, 1.8/6117=7...(24) * HG2 LYS 96 + HD3 LYS 96 OK 85 100 - 85 - 3.0=64, 1.8/6117=7...(23) HG3 LYS 44 - HD2 LYS 96 OK 35 100 - 35 - 6107=4, 6107/1.8=3...(9) HG3 LYS 44 - HD3 LYS 96 OK 35 100 - 35 - 6107=4, 6107/1.8=3...(9) HG2 LYS 96 - HD3 LYS 73 OK 14 97 - 14 - 6107=2, 1.8/6117=1...(4) HG2 LYS 96 - HD2 LYS 73 OK 14 96 - 14 - 6107=2, 1.8/6117=1...(4) HG2 LYS 96 - HD3 LYS 20 OK 13 94 - 13 - 6107=2, 1.8/6117=1 HG2 LYS 96 - HD2 LYS 20 OK 12 92 - 13 - 6107=2, 1.8/6117=1 HG2 LYS 96 - HD3 LYS 43 OK 12 97 - 12 - 6107=1 HG2 LYS 96 - HD2 LYS 43 OK 11 94 - 12 - 6107=1, 1.8/6117=1 HG3 LYS 44 - HD2 LYS 43 lone 7 93 - 7 - HG3 LYS 44 - HD3 LYS 43 lone 7 96 - 7 - HG3 LYS 44 - HD3 LYS 73 lone 6 96 - 7 - HG3 LYS 44 - HD2 LYS 73 lone 6 96 - 7 - HG2 LYS 39 - HD3 LYS 96 lone 4 70 - 6 - HG2 LYS 39 - HD2 LYS 96 lone 4 69 - 6 - HG LEU 4 - HD3 LYS 20 lone 3 80 - 4 - 2.1/10735=1 HG LEU 4 - HD2 LYS 20 lone 3 78 - 4 - 2.1/10735=1 HB3 LEU 4 - HG12 ILE 71 lone 3 57 - 5 - 9777/2.1=1, ~9777=1 HB2 LEU 4 - HG12 ILE 71 lone 3 57 - 5 - 9777/2.1=1, ~9777=1 HB3 LEU 4 - HD3 LYS 20 lone 3 93 - 3 - HB2 LEU 4 - HD3 LYS 20 lone 3 93 - 3 - HB2 LEU 4 - HD2 LYS 20 lone 3 91 - 3 - HB3 LEU 4 - HD2 LYS 20 lone 3 91 - 3 - HG3 LYS 44 - HD3 LYS 20 lone 3 93 - 3 - HG3 LYS 44 - HD2 LYS 20 lone 3 92 - 3 - HG LEU 4 - HG12 ILE 71 lone 2 46 - 5 - 9777/2.1=1, 2.1/10735=1 HG3 ARG 30 - HG12 ILE 71 lone 2 44 - 5 - 9777/2.1=2, ~10927=1 HG3 LYS 17 - HD3 LYS 20 lone 2 80 - 3 - 3.9/2816=1 HG3 LYS 17 - HD2 LYS 20 lone 2 78 - 3 - 3.9/2816=1 HG2 LYS 39 - HD3 LYS 43 lone 2 63 - 3 - HG2 LYS 96 - HG12 ILE 71 lone 2 58 - 3 - HG2 LYS 39 - HD2 LYS 43 lone 1 60 - 2 - HG3 LYS 17 - HG12 ILE 71 lone 1 46 - 3 - 10918/2.1=1 HB3 LEU 4 - HD3 LYS 96 lone 1 100 - 1 - HB2 LEU 4 - HD3 LYS 96 lone 1 100 - 1 - HB2 LEU 4 - HD2 LYS 96 lone 1 99 - 1 - HB3 LEU 4 - HD2 LYS 96 lone 1 99 - 1 - HG LEU 4 - HD3 LYS 96 lone 1 90 - 1 - HG LEU 4 - HD2 LYS 96 lone 1 89 - 1 - HG2 LYS 39 - HD3 LYS 73 lone 1 63 - 2 - HG2 LYS 39 - HD2 LYS 73 lone 1 63 - 2 - HG12 ILE 56 - HG12 ILE 71 lone 1 42 - 3 - 9777/2.1=1 HB3 LEU 4 - HD3 LYS 73 lone 1 96 - 1 - HB2 LEU 4 - HD3 LYS 73 lone 1 96 - 1 - HG12 ILE 56 - HD3 LYS 96 lone 1 84 - 1 - HB3 LEU 4 - HD2 LYS 73 lone 1 95 - 1 - HB2 LEU 4 - HD2 LYS 73 lone 1 95 - 1 - HG12 ILE 56 - HD2 LYS 96 lone 1 83 - 1 - HG LEU 4 - HD3 LYS 73 lone 1 83 - 1 - HG LEU 4 - HD2 LYS 73 lone 1 82 - 1 - HB3 LEU 6 - HD3 LYS 20 lone 1 57 - 1 - HB3 LEU 6 - HD2 LYS 20 lone 1 55 - 1 - HG2 LYS 39 - HD3 LYS 20 lone 1 60 - 1 - HG2 LYS 39 - HD2 LYS 20 lone 1 59 - 1 - HG3 LYS 17 - HD3 LYS 96 lone 1 90 - 1 - HG3 LYS 17 - HD2 LYS 96 lone 1 89 - 1 - HB3 LEU 6 - HD3 LYS 43 lone 1 59 - 1 - HB3 LEU 4 - HD3 LYS 43 lone 1 96 - 1 - HB2 LEU 4 - HD3 LYS 43 lone 1 96 - 1 - HG LEU 80 - HG12 ILE 71 lone 1 58 - 1 - HB3 LEU 6 - HD2 LYS 43 lone 1 57 - 1 - HB3 LEU 4 - HD2 LYS 43 lone 1 93 - 1 - HB2 LEU 4 - HD2 LYS 43 lone 1 93 - 1 - HG LEU 4 - HD3 LYS 43 lone 1 83 - 1 - HG LEU 4 - HD2 LYS 43 lone 1 80 - 1 - HG3 LYS 17 - HD3 LYS 43 lone 1 83 - 1 - HG3 LYS 17 - HD2 LYS 43 lone 1 80 - 1 - HB3 LEU 6 - HD3 LYS 96 lone 1 65 - 1 - HB3 LEU 6 - HD2 LYS 96 lone 1 65 - 1 - HG3 LYS 44 - HG12 ILE 71 lone 1 58 - 1 - HG LEU 80 - HD3 LYS 96 lone 0 100 - 0 - HG LEU 80 - HD2 LYS 96 lone 0 100 - 0 - HB3 LEU 6 - HD3 LYS 73 lone 0 59 - 1 - HG3 LYS 17 - HD3 LYS 73 lone 0 83 - 1 - HB3 LEU 6 - HD2 LYS 73 lone 0 59 - 1 - HG3 LYS 17 - HD2 LYS 73 lone 0 82 - 1 - HG12 ILE 56 - HD3 LYS 20 lone 0 74 - 1 - HG12 ILE 56 - HD2 LYS 20 lone 0 72 - 1 - HB3 LEU 63 - HD3 LYS 96 lone 0 81 - 0 - HG2 LYS 49 - HG12 ILE 71 lone 0 31 - 1 - HG3 LYS 49 - HG12 ILE 71 lone 0 31 - 1 - HB3 LEU 63 - HD2 LYS 96 lone 0 80 - 0 - HG3 ARG 30 - HD3 LYS 96 lone 0 87 - 0 - HG3 ARG 30 - HD2 LYS 96 lone 0 86 - 0 - HG LEU 80 - HD3 LYS 73 lone 0 96 - 0 - HG LEU 80 - HD2 LYS 73 lone 0 96 - 0 - HG LEU 80 - HD3 LYS 20 lone 0 94 - 0 - HG2 LYS 49 - HD3 LYS 96 lone 0 65 - 0 - HG3 LYS 49 - HD3 LYS 96 lone 0 65 - 0 - HG LEU 80 - HD2 LYS 20 lone 0 92 - 0 - HG3 LYS 49 - HD2 LYS 96 lone 0 65 - 0 - HG2 LYS 49 - HD2 LYS 96 lone 0 65 - 0 - HB3 LEU 63 - HG12 ILE 71 lone 0 40 - 1 - HG12 ILE 56 - HD3 LYS 43 lone 0 77 - 0 - HB3 LYS 61 - HD3 LYS 96 lone 0 96 - 0 - HB3 LYS 61 - HD2 LYS 96 lone 0 95 - 0 - HG12 ILE 56 - HD2 LYS 43 lone 0 74 - 0 - HG2 LYS 49 - HD3 LYS 20 lone 0 57 - 0 - HG3 LYS 49 - HD3 LYS 20 lone 0 57 - 0 - HG3 LYS 49 - HD2 LYS 20 lone 0 55 - 0 - HG2 LYS 49 - HD2 LYS 20 lone 0 55 - 0 - HG2 LYS 39 - HG12 ILE 71 lone 0 33 - 1 - HG3 ARG 30 - HD3 LYS 43 lone 0 80 - 0 - HG12 ILE 7 - HD3 LYS 20 lone 0 53 - 0 - HG12 ILE 7 - HD3 LYS 96 lone 0 61 - 0 - HB3 LYS 61 - HD3 LYS 43 lone 0 90 - 0 - HG LEU 80 - HD3 LYS 43 lone 0 96 - 0 - HG12 ILE 7 - HD2 LYS 96 lone 0 61 - 0 - HG3 ARG 30 - HD2 LYS 43 lone 0 77 - 0 - HG3 ARG 30 - HD3 LYS 73 lone 0 80 - 0 - HG3 ARG 30 - HD2 LYS 73 lone 0 80 - 0 - HG12 ILE 7 - HD3 LYS 43 lone 0 56 - 0 - HB3 LYS 61 - HD3 LYS 20 lone 0 87 - 0 - HB3 LYS 61 - HD2 LYS 43 lone 0 87 - 0 - HG3 ARG 30 - HD3 LYS 20 lone 0 77 - 0 - HG LEU 80 - HD2 LYS 43 lone 0 94 - 0 - HG12 ILE 7 - HD2 LYS 20 lone 0 51 - 0 - HB3 LYS 61 - HD2 LYS 20 lone 0 85 - 0 - HG12 ILE 7 - HD2 LYS 43 lone 0 53 - 0 - HG3 ARG 30 - HD2 LYS 20 lone 0 75 - 0 - HB3 LEU 63 - HD3 LYS 20 lone 0 71 - 0 - HB3 LYS 61 - HD3 LYS 73 lone 0 90 - 0 - HB3 LYS 61 - HD2 LYS 73 lone 0 89 - 0 - HB3 LEU 63 - HD2 LYS 20 lone 0 69 - 0 - HG12 ILE 56 - HD3 LYS 73 lone 0 77 - 0 - HG12 ILE 56 - HD2 LYS 73 lone 0 77 - 0 - HG12 ILE 7 - HD3 LYS 73 lone 0 56 - 0 - HB3 LEU 63 - HD3 LYS 43 lone 0 74 - 0 - HB3 LEU 63 - HD3 LYS 73 lone 0 74 - 0 - HG12 ILE 7 - HD2 LYS 73 lone 0 55 - 0 - HB3 LEU 63 - HD2 LYS 73 lone 0 73 - 0 - HG3 LYS 49 - HD3 LYS 73 lone 0 59 - 0 - HG2 LYS 49 - HD3 LYS 73 lone 0 59 - 0 - HG3 LYS 49 - HD2 LYS 73 lone 0 59 - 0 - HG2 LYS 49 - HD2 LYS 73 lone 0 59 - 0 - HG2 LYS 49 - HD3 LYS 43 lone 0 59 - 0 - HG3 LYS 49 - HD3 LYS 43 lone 0 59 - 0 - HB3 LEU 63 - HD2 LYS 43 lone 0 71 - 0 - HB3 LEU 6 - HG12 ILE 71 lone 0 31 - 1 - HG2 LYS 49 - HD2 LYS 43 lone 0 57 - 0 - HG3 LYS 49 - HD2 LYS 43 lone 0 57 - 0 - HB3 LYS 61 - HG12 ILE 71 lone 0 52 - 0 - HG12 ILE 7 - HG12 ILE 71 lone 0 29 - 0 - Peak 6136 from cnoeabs.peaks (1.57, 1.68, 28.89 ppm; 2.43 A): 2 out of 108 assignments used, quality = 0.96: HG3 LYS 96 + HD2 LYS 96 OK 79 100 - 79 - 3.0=55, 6117/1.8=7...(18) * HG3 LYS 96 + HD3 LYS 96 OK 79 100 - 79 - 3.0=55, 6117/1.8=7...(17) HG2 LYS 44 - HD3 LYS 96 OK 25 87 - 29 - 6117=3, 1.8/6107=2...(8) HG2 LYS 44 - HD2 LYS 96 OK 25 86 - 29 - 6117=3, 1.8/6107=2...(8) HG3 LYS 96 - HD3 LYS 73 OK 12 97 - 13 - 6117=2, 6117/1.8=1 HG3 LYS 96 - HD2 LYS 73 OK 12 96 - 13 - 6117=2, 6117/1.8=1 HG3 LYS 96 - HD3 LYS 20 OK 12 94 - 12 - 6117=2, 6117/1.8=1 HG3 LYS 96 - HD2 LYS 20 OK 11 92 - 12 - 6117=2, 6117/1.8=1 HB3 LEU 70 - HD3 LYS 73 OK 11 97 - 12 - ~11081=3, 3.0/11077=2...(4) HB3 LEU 70 - HD2 LYS 73 OK 11 96 - 12 - ~11081=3, 3.0/11077=2...(4) HG3 LYS 96 - HD2 LYS 43 OK 10 94 - 11 - 6117=2 HG3 LYS 96 - HD3 LYS 43 OK 10 97 - 10 - 6117=1 HB3 LEU 70 - HG12 ILE 71 lone 5 58 - 8 - 437/4.6=3, 9778/2.1=2 HG2 LYS 44 - HD2 LYS 43 lone 4 77 - 5 - HG LEU 68 - HG12 ILE 71 poor 4 31 - 13 - ~9775=4, 2.1/11075=2...(5) HG2 LYS 44 - HD3 LYS 73 lone 4 80 - 5 - HG2 LYS 44 - HD3 LYS 43 lone 4 80 - 5 - HG2 LYS 44 - HD2 LYS 73 lone 4 80 - 5 - HG2 LYS 123 - HG12 ILE 71 lone 3 56 - 6 - ~10612=2, 9778/2.1=1 HG2 LYS 123 - HD3 LYS 96 lone 3 99 - 3 - HG2 LYS 123 - HD2 LYS 96 lone 3 98 - 3 - HG2 LYS 44 - HD3 LYS 20 lone 2 77 - 2 - HG2 LYS 44 - HD2 LYS 20 lone 2 75 - 2 - HG3 LYS 96 - HG12 ILE 71 lone 1 58 - 2 - HB3 LEU 70 - HD3 LYS 96 lone 1 100 - 1 - HB3 LEU 70 - HD2 LYS 96 lone 1 100 - 1 - HB3 LEU 70 - HD3 LYS 20 lone 1 94 - 1 - HB3 LEU 70 - HD2 LYS 20 lone 1 92 - 1 - HB VAL 78 - HD3 LYS 96 lone 1 84 - 1 - HB VAL 78 - HD2 LYS 96 lone 1 83 - 1 - HG2 LYS 115 - HD3 LYS 96 lone 1 94 - 1 - HG2 LYS 115 - HD2 LYS 96 lone 1 93 - 1 - HG2 LYS 123 - HD3 LYS 43 lone 1 94 - 1 - HB3 LEU 70 - HD3 LYS 43 lone 1 97 - 1 - HG2 LYS 123 - HD3 LYS 20 lone 1 91 - 1 - HG2 LYS 123 - HD2 LYS 73 lone 1 94 - 1 - HG2 LYS 123 - HD3 LYS 73 lone 1 94 - 1 - HD3 LYS 106 - HD3 LYS 96 lone 1 96 - 1 - HD3 LYS 106 - HD2 LYS 96 lone 1 95 - 1 - HG2 LYS 123 - HD2 LYS 20 lone 1 89 - 1 - HD2 LYS 106 - HD3 LYS 96 lone 1 94 - 1 - HB3 LEU 70 - HD2 LYS 43 lone 1 94 - 1 - HD2 LYS 106 - HD2 LYS 96 lone 1 93 - 1 - HG2 LYS 115 - HG12 ILE 71 lone 1 50 - 1 - HD3 LYS 106 - HD3 LYS 20 lone 1 87 - 1 - HD3 LYS 106 - HD2 LYS 20 lone 1 85 - 1 - HD2 LYS 106 - HD3 LYS 20 lone 1 85 - 1 - HD2 LYS 106 - HD2 LYS 20 lone 1 83 - 1 - HG2 LYS 123 - HD2 LYS 43 lone 0 91 - 1 - HG LEU 68 - HD3 LYS 20 lone 1 57 - 1 - HG LEU 68 - HD2 LYS 20 lone 0 55 - 1 - HG LEU 68 - HD3 LYS 73 lone 0 59 - 1 - HG LEU 68 - HD2 LYS 73 lone 0 59 - 1 - HD3 LYS 106 - HG12 ILE 71 lone 0 52 - 1 - HD2 LYS 106 - HG12 ILE 71 lone 0 50 - 1 - HG LEU 55 - HD3 LYS 96 lone 0 99 - 0 - HG2 LYS 115 - HD3 LYS 20 lone 0 85 - 0 - HG LEU 55 - HD2 LYS 96 lone 0 99 - 0 - HG2 LYS 115 - HD2 LYS 20 lone 0 83 - 0 - HG2 LYS 44 - HG12 ILE 71 lone 0 44 - 1 - HG2 LYS 115 - HD3 LYS 73 lone 0 88 - 0 - HB VAL 78 - HG12 ILE 71 lone 0 42 - 1 - HG LEU 68 - HD3 LYS 43 lone 0 59 - 1 - HG2 LYS 115 - HD2 LYS 73 lone 0 87 - 0 - HG LEU 68 - HD3 LYS 96 lone 0 65 - 1 - HG LEU 68 - HD2 LYS 43 lone 0 57 - 1 - HG LEU 68 - HD2 LYS 96 lone 0 65 - 1 - HG12 ILE 116 - HD3 LYS 96 lone 0 81 - 0 - HG LEU 55 - HD3 LYS 20 lone 0 92 - 0 - HG12 ILE 116 - HD2 LYS 96 lone 0 80 - 0 - HG LEU 55 - HD2 LYS 20 lone 0 90 - 0 - HG2 LYS 115 - HD3 LYS 43 lone 0 88 - 0 - HG2 LYS 115 - HD2 LYS 43 lone 0 85 - 0 - HG LEU 55 - HG12 ILE 71 lone 0 57 - 1 - HD3 LYS 106 - HD3 LYS 43 lone 0 90 - 0 - HG12 ILE 3 - HD3 LYS 43 lone 0 88 - 0 - HD2 LYS 106 - HD3 LYS 43 lone 0 88 - 0 - HD3 LYS 106 - HD2 LYS 43 lone 0 87 - 0 - HG12 ILE 3 - HD2 LYS 43 lone 0 85 - 0 - HD2 LYS 106 - HD2 LYS 43 lone 0 85 - 0 - HG12 ILE 3 - HD3 LYS 96 lone 0 94 - 0 - HG12 ILE 3 - HD2 LYS 96 lone 0 93 - 0 - HG LEU 55 - HD3 LYS 73 lone 0 95 - 0 - HG LEU 55 - HD2 LYS 73 lone 0 94 - 0 - HG LEU 55 - HD3 LYS 43 lone 0 95 - 0 - HG12 ILE 3 - HD3 LYS 20 lone 0 85 - 0 - HG12 ILE 3 - HD2 LYS 20 lone 0 83 - 0 - HG LEU 55 - HD2 LYS 43 lone 0 92 - 0 - HD3 LYS 106 - HD3 LYS 73 lone 0 90 - 0 - HG12 ILE 3 - HG12 ILE 71 lone 0 50 - 0 - HD3 LYS 106 - HD2 LYS 73 lone 0 89 - 0 - HD2 LYS 106 - HD3 LYS 73 lone 0 88 - 0 - HD2 LYS 106 - HD2 LYS 73 lone 0 87 - 0 - HB VAL 78 - HD3 LYS 20 lone 0 74 - 0 - HB VAL 78 - HD2 LYS 20 lone 0 72 - 0 - HB VAL 78 - HD3 LYS 73 lone 0 77 - 0 - HB VAL 78 - HD2 LYS 73 lone 0 77 - 0 - HB VAL 78 - HD3 LYS 43 lone 0 77 - 0 - HG12 ILE 3 - HD3 LYS 73 lone 0 88 - 0 - HG12 ILE 3 - HD2 LYS 73 lone 0 87 - 0 - HB VAL 78 - HD2 LYS 43 lone 0 74 - 0 - HG12 ILE 116 - HD3 LYS 73 lone 0 74 - 0 - HG12 ILE 116 - HD2 LYS 73 lone 0 73 - 0 - HG12 ILE 116 - HD3 LYS 43 lone 0 74 - 0 - HG12 ILE 116 - HD2 LYS 43 lone 0 71 - 0 - HG12 ILE 116 - HD3 LYS 20 lone 0 71 - 0 - HG12 ILE 116 - HD2 LYS 20 lone 0 69 - 0 - HG12 ILE 116 - HG12 ILE 71 lone 0 40 - 0 - Peak 6137 from cnoeabs.peaks (1.68, 1.68, 28.89 ppm; diagonal): 8 out of 9 assignments used, quality = 1.00: HD3 LYS 96 + HD3 LYS 96 OK 100 100 - 100 HD2 LYS 96 + HD2 LYS 96 OK 100 100 - 100 HD3 LYS 73 + HD3 LYS 73 OK 96 96 - 100 HD3 LYS 43 + HD3 LYS 43 OK 96 96 - 100 HD2 LYS 73 + HD2 LYS 73 OK 94 94 - 100 HD2 LYS 43 + HD2 LYS 43 OK 93 93 - 100 HD3 LYS 20 + HD3 LYS 20 OK 90 90 - 100 HD2 LYS 20 + HD2 LYS 20 OK 87 87 - 100 HG12 ILE 71 - HG12 ILE 71 OK 42 42 - 100 Reference assignment not found: HD2 LYS 96 - HD3 LYS 96 Peak 6138 from cnoeabs.peaks (1.68, 1.68, 28.89 ppm; diagonal): 9 out of 9 assignments used, quality = 1.00: * HD3 LYS 96 + HD3 LYS 96 OK 100 100 - 100 HD2 LYS 96 + HD2 LYS 96 OK 100 100 - 100 HD3 LYS 73 + HD3 LYS 73 OK 96 96 - 100 HD3 LYS 43 + HD3 LYS 43 OK 96 96 - 100 HD2 LYS 73 + HD2 LYS 73 OK 96 96 - 100 HD3 LYS 20 + HD3 LYS 20 OK 92 92 - 100 HD2 LYS 43 + HD2 LYS 43 OK 92 92 - 100 HD2 LYS 20 + HD2 LYS 20 OK 89 89 - 100 HG12 ILE 71 + HG12 ILE 71 OK 46 46 - 100 Peak 6139 from cnoeabs.peaks (2.93, 1.68, 28.89 ppm; 2.69 A): 4 out of 81 assignments used, quality = 1.00: HE2 LYS 96 + HD2 LYS 96 OK 87 100 - 88 - 3.0=73, 1.8/6157=4...(38) HE3 LYS 96 + HD2 LYS 96 OK 87 100 - 88 - 3.0=73, 1.8/6157=4...(38) * HE2 LYS 96 + HD3 LYS 96 OK 87 100 - 87 - 3.0=73, 1.8/6157=4...(36) HE3 LYS 96 + HD3 LYS 96 OK 87 100 - 87 - 3.0=73, 1.8/6157=4...(36) HE3 LYS 44 - HD2 LYS 96 OK 39 100 - 39 - 6147=3, 6100/3.4=2...(13) HE2 LYS 44 - HD2 LYS 96 OK 39 100 - 39 - 6147=3, 6100/3.4=2...(13) HE3 LYS 44 - HD3 LYS 96 OK 39 100 - 39 - 6157=3, 6099/3.4=2...(13) HE2 LYS 44 - HD3 LYS 96 OK 39 100 - 39 - 6157=3, 6099/3.4=2...(13) HE2 LYS 96 - HD3 LYS 73 lone 6 97 - 6 - HE3 LYS 96 - HD3 LYS 73 lone 6 97 - 6 - HE3 LYS 96 - HD2 LYS 73 lone 6 96 - 6 - HE2 LYS 96 - HD2 LYS 73 lone 6 96 - 6 - HE2 LYS 65 - HD2 LYS 96 lone 6 80 - 7 - HE3 LYS 65 - HD2 LYS 96 lone 6 80 - 7 - HE2 LYS 96 - HD3 LYS 20 lone 6 94 - 6 - HE3 LYS 96 - HD3 LYS 20 lone 6 94 - 6 - HE2 LYS 65 - HD3 LYS 96 lone 6 81 - 7 - HE3 LYS 65 - HD3 LYS 96 lone 6 81 - 7 - HE3 LYS 96 - HD2 LYS 20 lone 5 92 - 6 - HE2 LYS 96 - HD2 LYS 20 lone 5 92 - 6 - HE3 LYS 96 - HD2 LYS 43 lone 5 94 - 5 - HE2 LYS 96 - HD2 LYS 43 lone 5 94 - 5 - HE2 LYS 96 - HD3 LYS 43 lone 5 97 - 5 - HE3 LYS 96 - HD3 LYS 43 lone 5 97 - 5 - HE2 LYS 44 - HD2 LYS 43 lone 3 94 - 3 - HE3 LYS 44 - HD2 LYS 43 lone 3 94 - 3 - HE3 LYS 44 - HD3 LYS 43 lone 3 97 - 3 - HE2 LYS 44 - HD3 LYS 43 lone 3 97 - 3 - HE2 LYS 44 - HD3 LYS 73 lone 3 97 - 3 - HE3 LYS 44 - HD3 LYS 73 lone 3 97 - 3 - HE3 LYS 44 - HD2 LYS 73 lone 3 96 - 3 - HE2 LYS 44 - HD2 LYS 73 lone 3 96 - 3 - HD3 ARG 30 - HG12 ILE 71 lone 3 57 - 4 - ~9262=1 HE3 LYS 94 - HD3 LYS 96 lone 1 84 - 1 - HE3 LYS 94 - HD2 LYS 96 lone 1 83 - 1 - HE2 LYS 44 - HD3 LYS 20 lone 1 94 - 1 - HE3 LYS 44 - HD3 LYS 20 lone 1 94 - 1 - HE2 LYS 44 - HD2 LYS 20 lone 1 92 - 1 - HE3 LYS 44 - HD2 LYS 20 lone 1 92 - 1 - HE3 LYS 94 - HD3 LYS 43 lone 1 77 - 1 - HE3 LYS 94 - HD2 LYS 43 lone 1 74 - 1 - HD3 ARG 30 - HD3 LYS 96 lone 0 100 - 0 - HD3 ARG 30 - HD2 LYS 96 lone 0 99 - 0 - HE2 LYS 96 - HG12 ILE 71 lone 0 58 - 1 - HE3 LYS 96 - HG12 ILE 71 lone 0 58 - 1 - HD3 ARG 30 - HD3 LYS 20 lone 0 93 - 0 - HD3 ARG 30 - HD2 LYS 20 lone 0 91 - 0 - HE3 LYS 94 - HD3 LYS 20 lone 0 74 - 0 - HE2 LYS 65 - HD3 LYS 20 lone 0 71 - 0 - HE3 LYS 65 - HD3 LYS 20 lone 0 71 - 0 - HE3 LYS 65 - HD3 LYS 43 lone 0 74 - 0 - HE2 LYS 65 - HD3 LYS 43 lone 0 74 - 0 - HD3 ARG 30 - HD3 LYS 73 lone 0 96 - 0 - HD3 ARG 30 - HD2 LYS 73 lone 0 95 - 0 - HE3 LYS 94 - HD2 LYS 20 lone 0 72 - 0 - HE3 LYS 65 - HD2 LYS 20 lone 0 69 - 0 - HE2 LYS 65 - HD2 LYS 20 lone 0 69 - 0 - HD3 ARG 30 - HD3 LYS 43 lone 0 96 - 0 - HE2 LYS 65 - HD2 LYS 43 lone 0 71 - 0 - HE3 LYS 65 - HD2 LYS 43 lone 0 71 - 0 - HD3 ARG 30 - HD2 LYS 43 lone 0 93 - 0 - HB2 ASP 86 - HD3 LYS 96 lone 0 100 - 0 - HB2 ASP 86 - HD2 LYS 96 lone 0 99 - 0 - HE3 LYS 65 - HD3 LYS 73 lone 0 74 - 0 - HE2 LYS 65 - HD3 LYS 73 lone 0 74 - 0 - HE3 LYS 65 - HD2 LYS 73 lone 0 73 - 0 - HE2 LYS 65 - HD2 LYS 73 lone 0 73 - 0 - HB2 ASP 86 - HG12 ILE 71 lone 0 57 - 0 - HE3 LYS 94 - HD3 LYS 73 lone 0 77 - 0 - HE3 LYS 94 - HD2 LYS 73 lone 0 77 - 0 - HE3 LYS 44 - HG12 ILE 71 lone 0 58 - 0 - HE2 LYS 44 - HG12 ILE 71 lone 0 58 - 0 - HB2 ASP 86 - HD3 LYS 73 lone 0 96 - 0 - HB2 ASP 86 - HD2 LYS 73 lone 0 95 - 0 - HB2 ASP 86 - HD3 LYS 43 lone 0 96 - 0 - HB2 ASP 86 - HD2 LYS 43 lone 0 93 - 0 - HB2 ASP 86 - HD3 LYS 20 lone 0 93 - 0 - HB2 ASP 86 - HD2 LYS 20 lone 0 91 - 0 - HE2 LYS 65 - HG12 ILE 71 lone 0 40 - 0 - HE3 LYS 65 - HG12 ILE 71 lone 0 40 - 0 - HE3 LYS 94 - HG12 ILE 71 lone 0 42 - 0 - Peak 6140 from cnoeabs.peaks (2.93, 1.68, 28.89 ppm; 2.69 A): 4 out of 81 assignments used, quality = 1.00: HE2 LYS 96 + HD2 LYS 96 OK 87 100 - 88 - 3.0=73, 1.8/6157=4...(38) HE3 LYS 96 + HD2 LYS 96 OK 87 100 - 88 - 3.0=73, 1.8/6157=4...(38) HE2 LYS 96 + HD3 LYS 96 OK 87 100 - 87 - 3.0=73, 1.8/6157=4...(36) * HE3 LYS 96 + HD3 LYS 96 OK 87 100 - 87 - 3.0=73, 1.8/6157=4...(36) HE3 LYS 44 - HD2 LYS 96 OK 39 100 - 39 - 6147=3, 6100/3.4=2...(13) HE2 LYS 44 - HD2 LYS 96 OK 39 100 - 39 - 6147=3, 6100/3.4=2...(13) HE3 LYS 44 - HD3 LYS 96 OK 39 100 - 39 - 6157=3, 6099/3.4=2...(13) HE2 LYS 44 - HD3 LYS 96 OK 39 100 - 39 - 6157=3, 6099/3.4=2...(13) HE2 LYS 96 - HD3 LYS 73 lone 6 97 - 6 - HE3 LYS 96 - HD3 LYS 73 lone 6 97 - 6 - HE3 LYS 96 - HD2 LYS 73 lone 6 96 - 6 - HE2 LYS 96 - HD2 LYS 73 lone 6 96 - 6 - HE2 LYS 65 - HD2 LYS 96 lone 6 80 - 7 - HE3 LYS 65 - HD2 LYS 96 lone 6 80 - 7 - HE2 LYS 96 - HD3 LYS 20 lone 6 94 - 6 - HE3 LYS 96 - HD3 LYS 20 lone 6 94 - 6 - HE2 LYS 65 - HD3 LYS 96 lone 6 81 - 7 - HE3 LYS 65 - HD3 LYS 96 lone 6 81 - 7 - HE3 LYS 96 - HD2 LYS 20 lone 5 92 - 6 - HE2 LYS 96 - HD2 LYS 20 lone 5 92 - 6 - HE3 LYS 96 - HD2 LYS 43 lone 5 94 - 5 - HE2 LYS 96 - HD2 LYS 43 lone 5 94 - 5 - HE2 LYS 96 - HD3 LYS 43 lone 5 97 - 5 - HE3 LYS 96 - HD3 LYS 43 lone 5 97 - 5 - HE2 LYS 44 - HD2 LYS 43 lone 3 94 - 3 - HE3 LYS 44 - HD2 LYS 43 lone 3 94 - 3 - HE3 LYS 44 - HD3 LYS 43 lone 3 97 - 3 - HE2 LYS 44 - HD3 LYS 43 lone 3 97 - 3 - HE2 LYS 44 - HD3 LYS 73 lone 3 97 - 3 - HE3 LYS 44 - HD3 LYS 73 lone 3 97 - 3 - HE3 LYS 44 - HD2 LYS 73 lone 3 96 - 3 - HE2 LYS 44 - HD2 LYS 73 lone 3 96 - 3 - HD3 ARG 30 - HG12 ILE 71 lone 3 57 - 4 - ~9262=1 HE3 LYS 94 - HD3 LYS 96 lone 1 84 - 1 - HE3 LYS 94 - HD2 LYS 96 lone 1 83 - 1 - HE2 LYS 44 - HD3 LYS 20 lone 1 94 - 1 - HE3 LYS 44 - HD3 LYS 20 lone 1 94 - 1 - HE2 LYS 44 - HD2 LYS 20 lone 1 92 - 1 - HE3 LYS 44 - HD2 LYS 20 lone 1 92 - 1 - HE3 LYS 94 - HD3 LYS 43 lone 1 77 - 1 - HE3 LYS 94 - HD2 LYS 43 lone 1 74 - 1 - HD3 ARG 30 - HD3 LYS 96 lone 0 100 - 0 - HD3 ARG 30 - HD2 LYS 96 lone 0 99 - 0 - HE2 LYS 96 - HG12 ILE 71 lone 0 58 - 1 - HE3 LYS 96 - HG12 ILE 71 lone 0 58 - 1 - HD3 ARG 30 - HD3 LYS 20 lone 0 93 - 0 - HD3 ARG 30 - HD2 LYS 20 lone 0 91 - 0 - HE3 LYS 94 - HD3 LYS 20 lone 0 74 - 0 - HE2 LYS 65 - HD3 LYS 20 lone 0 71 - 0 - HE3 LYS 65 - HD3 LYS 20 lone 0 71 - 0 - HE3 LYS 65 - HD3 LYS 43 lone 0 74 - 0 - HE2 LYS 65 - HD3 LYS 43 lone 0 74 - 0 - HD3 ARG 30 - HD3 LYS 73 lone 0 96 - 0 - HD3 ARG 30 - HD2 LYS 73 lone 0 95 - 0 - HE3 LYS 94 - HD2 LYS 20 lone 0 72 - 0 - HE3 LYS 65 - HD2 LYS 20 lone 0 69 - 0 - HE2 LYS 65 - HD2 LYS 20 lone 0 69 - 0 - HD3 ARG 30 - HD3 LYS 43 lone 0 96 - 0 - HE2 LYS 65 - HD2 LYS 43 lone 0 71 - 0 - HE3 LYS 65 - HD2 LYS 43 lone 0 71 - 0 - HD3 ARG 30 - HD2 LYS 43 lone 0 93 - 0 - HB2 ASP 86 - HD3 LYS 96 lone 0 100 - 0 - HB2 ASP 86 - HD2 LYS 96 lone 0 99 - 0 - HE3 LYS 65 - HD3 LYS 73 lone 0 74 - 0 - HE2 LYS 65 - HD3 LYS 73 lone 0 74 - 0 - HE3 LYS 65 - HD2 LYS 73 lone 0 73 - 0 - HE2 LYS 65 - HD2 LYS 73 lone 0 73 - 0 - HB2 ASP 86 - HG12 ILE 71 lone 0 57 - 0 - HE3 LYS 94 - HD3 LYS 73 lone 0 77 - 0 - HE3 LYS 94 - HD2 LYS 73 lone 0 77 - 0 - HE3 LYS 44 - HG12 ILE 71 lone 0 58 - 0 - HE2 LYS 44 - HG12 ILE 71 lone 0 58 - 0 - HB2 ASP 86 - HD3 LYS 73 lone 0 96 - 0 - HB2 ASP 86 - HD2 LYS 73 lone 0 95 - 0 - HB2 ASP 86 - HD3 LYS 43 lone 0 96 - 0 - HB2 ASP 86 - HD2 LYS 43 lone 0 93 - 0 - HB2 ASP 86 - HD3 LYS 20 lone 0 93 - 0 - HB2 ASP 86 - HD2 LYS 20 lone 0 91 - 0 - HE2 LYS 65 - HG12 ILE 71 lone 0 40 - 0 - HE3 LYS 65 - HG12 ILE 71 lone 0 40 - 0 - HE3 LYS 94 - HG12 ILE 71 lone 0 42 - 0 - Peak 6143 from cnoeabs.peaks (1.90, 2.93, 41.78 ppm; 3.41 A): 12 out of 140 assignments used, quality = 1.00: HB2 LYS 96 + HE3 LYS 96 OK 85 100 - 85 - 4.9=34, 1.8/6100=6...(57) * HB2 LYS 96 + HE2 LYS 96 OK 85 100 - 85 - 4.9=34, 1.8/6100=6...(57) HB3 LYS 44 + HE2 LYS 44 OK 81 99 - 82 - 5.0=32, 2.9/3984=5...(57) HB3 LYS 44 + HE3 LYS 44 OK 81 99 - 82 - 5.0=32, 2.9/3984=5...(57) HB2 LYS 44 + HE3 LYS 44 OK 75 92 - 82 - 5.0=32, 2.9/3974=5...(58) HB2 LYS 44 + HE2 LYS 44 OK 75 92 - 82 - 5.0=32, 2.9/3974=5...(58) HB2 LYS 96 + HE2 LYS 44 OK 61 100 - 61 - 1.8/6100=5, 3.0/6079=4...(42) HB2 LYS 96 + HE3 LYS 44 OK 61 100 - 61 - 1.8/6100=5, 3.0/6079=4...(42) HB3 LYS 44 + HE3 LYS 96 OK 49 99 - 49 - 3.0/3909=3, 2.9/3938=2...(29) HB3 LYS 44 + HE2 LYS 96 OK 49 99 - 49 - 3.0/3909=3, 2.9/3938=2...(29) HB2 LYS 44 + HE3 LYS 96 OK 46 92 - 50 - 3.0/3909=3, 2.9/3939=2...(29) HB2 LYS 44 + HE2 LYS 96 OK 46 92 - 50 - 3.0/3909=3, 2.9/3939=2...(29) HB2 LYS 43 - HE3 LYS 96 OK 12 98 - 12 - 4.7/1290=1 HB2 LYS 43 - HE2 LYS 96 OK 12 98 - 12 - 4.7/1290=1 HB3 LYS 43 - HE2 LYS 96 OK 11 100 - 11 - 4.7/1291=1 HB3 LYS 43 - HE3 LYS 96 OK 11 100 - 11 - 4.7/1291=1 HB3 LYS 43 - HE2 LYS 44 OK 11 100 - 11 - 4.7/1290=2 HB3 LYS 43 - HE3 LYS 44 OK 11 100 - 11 - 4.7/1290=2 HB2 LYS 43 - HE2 LYS 44 OK 11 98 - 11 - 4.7/1291=2 HB2 LYS 43 - HE3 LYS 44 OK 11 98 - 11 - 4.7/1291=2 HB2 ARG 95 - HE3 LYS 96 OK 10 99 - 11 - 7789/7.5=3, 8327/6.3=2, ~6020=1 HB2 ARG 95 - HE2 LYS 96 OK 10 99 - 11 - 7789/7.5=3, 8327/6.3=2, ~6020=1 HB2 LYS 73 - HE3 LYS 96 OK 10 98 - 10 - HB2 LYS 73 - HE2 LYS 96 OK 10 98 - 10 - HB3 LYS 73 - HE2 LYS 96 poor 10 97 - 10 - HB3 LYS 73 - HE3 LYS 96 poor 10 97 - 10 - HB2 LYS 20 - HE2 LYS 96 lone 8 90 - 9 - HB3 LYS 20 - HE3 LYS 96 lone 8 90 - 9 - HB2 LYS 20 - HE3 LYS 96 lone 8 90 - 9 - HB3 LYS 20 - HE2 LYS 96 lone 8 90 - 9 - HB2 LYS 96 - HE2 LYS 65 poor 8 63 - 12 - HB2 LYS 96 - HE3 LYS 65 poor 8 63 - 12 - HB3 LYS 123 - HE3 LYS 44 lone 8 84 - 9 - HB3 LYS 123 - HE2 LYS 44 lone 8 84 - 9 - HB2 LYS 73 - HE2 LYS 44 lone 4 98 - 4 - HB2 LYS 73 - HE3 LYS 44 lone 4 98 - 4 - HB3 LYS 73 - HE3 LYS 44 lone 4 97 - 4 - HB3 LYS 73 - HE2 LYS 44 lone 4 97 - 4 - HB3 LYS 43 - HE3 LYS 94 lone 4 68 - 5 - ~11106=2, ~8085=1 HB2 LYS 43 - HE3 LYS 94 lone 3 64 - 5 - ~11106=2, ~8085=1 HB3 LYS 123 - HE2 LYS 96 lone 3 84 - 3 - HB3 LYS 123 - HE3 LYS 96 lone 3 84 - 3 - HB2 LYS 49 - HE3 LYS 65 lone 2 62 - 3 - HB2 LYS 49 - HE2 LYS 65 lone 2 62 - 3 - HB2 LEU 45 - HE3 LYS 96 lone 2 100 - 2 - HB2 LEU 45 - HE2 LYS 96 lone 2 100 - 2 - HB2 LEU 45 - HE3 LYS 44 lone 2 100 - 2 - HB2 LEU 45 - HE2 LYS 44 lone 2 100 - 2 - HB2 ARG 95 - HE2 LYS 44 lone 2 99 - 2 - HB2 ARG 95 - HE3 LYS 44 lone 2 99 - 2 - HB2 LYS 20 - HE3 LYS 44 lone 2 90 - 2 - HB3 LYS 20 - HE3 LYS 44 lone 2 90 - 2 - HB3 LYS 20 - HE2 LYS 44 lone 2 90 - 2 - HB2 LYS 20 - HE2 LYS 44 lone 2 90 - 2 - HB2 LYS 96 - HE3 LYS 94 lone 2 68 - 3 - HB3 LYS 44 - HE3 LYS 65 lone 2 60 - 3 - HB3 LYS 44 - HE2 LYS 65 lone 2 60 - 3 - HG LEU 45 - HE2 LYS 44 lone 2 61 - 3 - HG LEU 45 - HE3 LYS 44 lone 2 61 - 3 - HB3 LYS 44 - HE3 LYS 94 lone 2 65 - 2 - HB2 LEU 81 - HE3 LYS 65 lone 1 34 - 4 - HB2 LEU 81 - HE2 LYS 65 lone 1 34 - 4 - HB2 LYS 44 - HE2 LYS 65 lone 1 52 - 3 - HB2 LYS 44 - HE3 LYS 65 lone 1 52 - 3 - HB3 LYS 123 - HE3 LYS 65 lone 1 46 - 3 - HB3 LYS 123 - HE2 LYS 65 lone 1 46 - 3 - HB2 LYS 44 - HE3 LYS 94 lone 1 57 - 2 - HB2 GLU 128 - HE3 LYS 96 lone 1 100 - 1 - HB2 GLU 128 - HE2 LYS 96 lone 1 100 - 1 - HG LEU 45 - HE3 LYS 96 lone 1 61 - 2 - HG LEU 45 - HE2 LYS 96 lone 1 61 - 2 - HB3 LYS 123 - HE3 LYS 94 lone 1 50 - 2 - HB ILE 71 - HE3 LYS 65 lone 1 60 - 1 - HB ILE 71 - HE2 LYS 65 lone 1 60 - 1 - HB ILE 71 - HE2 LYS 96 lone 1 99 - 1 - HB ILE 71 - HE3 LYS 96 lone 1 99 - 1 - HB ILE 71 - HE3 LYS 44 lone 1 99 - 1 - HB ILE 71 - HE2 LYS 44 lone 1 99 - 1 - HB2 GLU 128 - HE2 LYS 44 lone 1 100 - 1 - HB2 GLU 128 - HE3 LYS 44 lone 1 100 - 1 - HB ILE 71 - HE3 LYS 94 lone 1 65 - 1 - HB2 LYS 20 - HE3 LYS 94 lone 1 55 - 1 - HB3 LYS 20 - HE3 LYS 94 lone 1 55 - 1 - HB2 LYS 49 - HE3 LYS 94 lone 0 68 - 1 - HB2 LYS 49 - HE2 LYS 96 lone 0 100 - 0 - HB2 LYS 49 - HE3 LYS 96 lone 0 100 - 0 - HB2 LYS 49 - HE2 LYS 44 lone 0 100 - 0 - HB2 LYS 49 - HE3 LYS 44 lone 0 100 - 0 - HB3 LYS 43 - HE3 LYS 65 lone 0 63 - 1 - HB3 LYS 43 - HE2 LYS 65 lone 0 63 - 1 - HB ILE 7 - HE3 LYS 96 lone 0 94 - 0 - HB ILE 7 - HE2 LYS 96 lone 0 94 - 0 - HB ILE 7 - HE3 LYS 44 lone 0 94 - 0 - HB ILE 7 - HE2 LYS 44 lone 0 94 - 0 - HB2 LYS 43 - HE3 LYS 65 lone 0 59 - 1 - HB2 LYS 43 - HE2 LYS 65 lone 0 59 - 1 - HB ILE 15 - HE3 LYS 44 lone 0 81 - 0 - HB ILE 15 - HE2 LYS 44 lone 0 81 - 0 - HB2 LYS 73 - HE3 LYS 65 lone 0 59 - 1 - HB2 LYS 73 - HE2 LYS 65 lone 0 59 - 1 - HB3 LYS 73 - HE3 LYS 94 lone 0 63 - 0 - HB2 ARG 95 - HE3 LYS 94 lone 0 66 - 0 - HB2 LEU 81 - HE3 LYS 94 lone 0 37 - 1 - HB2 LEU 81 - HE3 LYS 44 lone 0 65 - 0 - HB2 LEU 81 - HE2 LYS 44 lone 0 65 - 0 - HB2 LYS 73 - HE3 LYS 94 lone 0 64 - 0 - HB2 ARG 95 - HE2 LYS 65 lone 0 61 - 0 - HB2 ARG 95 - HE3 LYS 65 lone 0 61 - 0 - HG2 MET 121 - HE3 LYS 44 lone 0 73 - 0 - HG2 MET 121 - HE2 LYS 44 lone 0 73 - 0 - HB2 LEU 81 - HE2 LYS 96 lone 0 65 - 0 - HB2 LEU 81 - HE3 LYS 96 lone 0 65 - 0 - HB ILE 15 - HE2 LYS 96 lone 0 81 - 0 - HB ILE 15 - HE3 LYS 96 lone 0 81 - 0 - HB3 LYS 20 - HE2 LYS 65 lone 0 50 - 1 - HB3 LYS 20 - HE3 LYS 65 lone 0 50 - 1 - HB2 LYS 20 - HE2 LYS 65 lone 0 50 - 1 - HB2 LYS 20 - HE3 LYS 65 lone 0 50 - 1 - HB3 LYS 73 - HE2 LYS 65 lone 0 58 - 0 - HB3 LYS 73 - HE3 LYS 65 lone 0 58 - 0 - HG2 MET 121 - HE2 LYS 96 lone 0 73 - 0 - HG2 MET 121 - HE3 LYS 96 lone 0 73 - 0 - HB2 LEU 45 - HE3 LYS 94 lone 0 67 - 0 - HB2 GLU 128 - HE3 LYS 94 lone 0 68 - 0 - HB ILE 7 - HE3 LYS 94 lone 0 59 - 0 - HB2 GLU 128 - HE3 LYS 65 lone 0 63 - 0 - HB2 GLU 128 - HE2 LYS 65 lone 0 63 - 0 - HB2 LEU 45 - HE3 LYS 65 lone 0 62 - 0 - HB2 LEU 45 - HE2 LYS 65 lone 0 62 - 0 - HB ILE 15 - HE3 LYS 94 lone 0 48 - 0 - HB ILE 7 - HE2 LYS 65 lone 0 54 - 0 - HB ILE 7 - HE3 LYS 65 lone 0 54 - 0 - HG2 MET 121 - HE3 LYS 94 lone 0 43 - 0 - HG2 MET 121 - HE2 LYS 65 lone 0 39 - 0 - HG2 MET 121 - HE3 LYS 65 lone 0 39 - 0 - HB ILE 15 - HE3 LYS 65 lone 0 44 - 0 - HB ILE 15 - HE2 LYS 65 lone 0 44 - 0 - HG LEU 45 - HE3 LYS 94 lone 0 35 - 0 - HG LEU 45 - HE3 LYS 65 lone 0 31 - 0 - HG LEU 45 - HE2 LYS 65 lone 0 31 - 0 - Peak 6144 from cnoeabs.peaks (1.97, 2.93, 41.78 ppm; 4.18 A): 4 out of 63 assignments used, quality = 1.00: * HB3 LYS 96 + HE2 LYS 96 OK 97 100 - 97 - 4.9=62, 6097/3.0=11...(75) HB3 LYS 96 + HE3 LYS 96 OK 97 100 - 97 - 4.9=62, 6097/3.0=11...(75) HB3 LYS 96 + HE2 LYS 44 OK 80 100 - 80 - 6100=10, 6099/1.8=8...(66) HB3 LYS 96 + HE3 LYS 44 OK 80 100 - 80 - 6099=10, 6099/1.8=8...(66) HB3 ARG 95 - HE2 LYS 96 OK 16 100 - 16 - 7790/7.5=5, ~6020=2...(5) HB3 ARG 95 - HE3 LYS 96 OK 16 100 - 16 - 7790/7.5=5, ~6020=2...(5) HB3 LYS 96 - HE3 LYS 65 OK 12 63 - 19 - 6099=2, 6100/1.8=1 HB3 LYS 96 - HE2 LYS 65 OK 12 63 - 19 - 6099=2, 6100/1.8=1 HB2 LYS 40 - HE3 LYS 96 poor 9 61 - 14 - 8044/6.3=4, 3658/7.5=1 HB2 LYS 40 - HE2 LYS 96 poor 9 61 - 14 - 8044/6.3=4, 3658/7.5=1 HB3 LYS 96 - HE3 LYS 94 lone 3 68 - 5 - 3.0/6079=1 HB2 LYS 40 - HE3 LYS 44 lone 3 61 - 4 - 8044/6.5=1 HB2 LYS 40 - HE2 LYS 44 lone 3 61 - 4 - 8044/6.5=1 HB3 ARG 95 - HE3 LYS 44 lone 2 100 - 2 - HB3 ARG 95 - HE2 LYS 44 lone 2 100 - 2 - HB3 GLU 128 - HE2 LYS 96 lone 1 70 - 2 - HB3 GLU 128 - HE3 LYS 96 lone 1 70 - 2 - HB VAL 29 - HE3 LYS 94 lone 1 37 - 3 - HB3 GLU 128 - HE2 LYS 44 lone 1 70 - 1 - HB3 GLU 128 - HE3 LYS 44 lone 1 70 - 1 - HB3 GLU 21 - HE2 LYS 96 lone 1 100 - 1 - HB3 GLU 21 - HE3 LYS 96 lone 1 100 - 1 - HB3 GLU 21 - HE3 LYS 65 lone 1 62 - 1 - HB3 GLU 21 - HE2 LYS 65 lone 1 62 - 1 - HB3 GLU 21 - HE2 LYS 44 lone 1 100 - 1 - HB3 GLU 21 - HE3 LYS 44 lone 1 100 - 1 - HB3 GLU 103 - HE3 LYS 96 lone 1 73 - 1 - HB3 GLU 103 - HE2 LYS 96 lone 1 73 - 1 - HB3 GLU 103 - HE2 LYS 44 lone 1 73 - 1 - HB3 GLU 103 - HE3 LYS 44 lone 1 73 - 1 - HB3 GLU 21 - HE3 LYS 94 lone 1 68 - 1 - HB2 LYS 40 - HE2 LYS 65 lone 1 31 - 2 - HB2 LYS 40 - HE3 LYS 65 lone 1 31 - 2 - HB VAL 22 - HE3 LYS 96 lone 1 84 - 1 - HB VAL 22 - HE2 LYS 96 lone 1 84 - 1 - HB3 ARG 95 - HE3 LYS 94 lone 1 68 - 1 - HB VAL 29 - HE2 LYS 96 lone 1 65 - 1 - HB VAL 29 - HE3 LYS 96 lone 1 65 - 1 - HB3 ARG 95 - HE3 LYS 65 lone 1 63 - 1 - HB3 ARG 95 - HE2 LYS 65 lone 1 63 - 1 - HB VAL 22 - HE2 LYS 44 lone 0 84 - 1 - HB VAL 22 - HE3 LYS 44 lone 0 84 - 1 - HB3 GLU 103 - HE3 LYS 65 lone 1 39 - 1 - HB3 GLU 103 - HE2 LYS 65 lone 1 39 - 1 - HB VAL 29 - HE3 LYS 44 lone 0 65 - 1 - HB VAL 29 - HE2 LYS 44 lone 0 65 - 1 - HB2 LYS 40 - HE3 LYS 94 lone 0 35 - 1 - HB3 GLU 52 - HE2 LYS 44 lone 0 61 - 1 - HB3 GLU 52 - HE3 LYS 44 lone 0 61 - 1 - HB3 GLU 52 - HE2 LYS 96 lone 0 61 - 1 - HB3 GLU 52 - HE3 LYS 96 lone 0 61 - 1 - HB VAL 22 - HE3 LYS 94 lone 0 50 - 1 - HB3 GLU 103 - HE3 LYS 94 lone 0 43 - 1 - HB3 GLU 128 - HE3 LYS 94 lone 0 40 - 1 - HB3 GLU 52 - HE3 LYS 94 lone 0 35 - 1 - HB VAL 22 - HE2 LYS 65 lone 0 46 - 1 - HB VAL 22 - HE3 LYS 65 lone 0 46 - 1 - HB VAL 29 - HE3 LYS 65 lone 0 34 - 1 - HB VAL 29 - HE2 LYS 65 lone 0 34 - 1 - HB3 GLU 128 - HE3 LYS 65 lone 0 36 - 1 - HB3 GLU 128 - HE2 LYS 65 lone 0 36 - 1 - HB3 GLU 52 - HE2 LYS 65 lone 0 31 - 1 - HB3 GLU 52 - HE3 LYS 65 lone 0 31 - 1 - Peak 6145 from cnoeabs.peaks (1.44, 2.93, 41.78 ppm; 3.18 A): 8 out of 112 assignments used, quality = 1.00: * HG2 LYS 96 + HE2 LYS 96 OK 89 100 - 89 - 3.8=59, 6107/3.0=6...(43) HG2 LYS 96 + HE3 LYS 96 OK 89 100 - 89 - 3.8=59, 6107/3.0=6...(43) HG3 LYS 44 + HE3 LYS 44 OK 88 100 - 88 - 3.7=61, 3955/3.0=6...(34) HG3 LYS 44 + HE2 LYS 44 OK 88 100 - 88 - 3.7=61, 3955/3.0=6...(34) HG2 LYS 96 + HE2 LYS 44 OK 56 100 - 56 - 6110=4, 2.9/6100=4...(27) HG2 LYS 96 + HE3 LYS 44 OK 56 100 - 56 - 6110=4, 2.9/6100=4...(27) HG3 LYS 44 + HE2 LYS 96 OK 45 100 - 46 - 3949=3, 1.8/3938=3...(21) HG3 LYS 44 + HE3 LYS 96 OK 45 100 - 46 - 3948=3, 1.8/3938=3...(21) HG2 LYS 96 - HE3 LYS 65 poor 7 63 - 11 - HG2 LYS 96 - HE2 LYS 65 poor 7 63 - 11 - HG12 ILE 56 - HE3 LYS 94 poor 6 50 - 12 - ~9551=5, 2.1/9543=2...(4) HG2 LYS 39 - HE3 LYS 44 lone 4 70 - 6 - HG2 LYS 39 - HE2 LYS 44 lone 4 70 - 6 - HG2 LYS 39 - HE3 LYS 96 lone 3 70 - 4 - HG2 LYS 39 - HE2 LYS 96 lone 3 70 - 4 - HG2 LYS 96 - HE3 LYS 94 lone 2 68 - 2 - HG3 LYS 44 - HE3 LYS 65 lone 2 62 - 2 - HG3 LYS 44 - HE2 LYS 65 lone 2 62 - 2 - HG3 LYS 44 - HE3 LYS 94 lone 1 68 - 2 - HG12 ILE 56 - HE2 LYS 96 lone 1 84 - 1 - HG12 ILE 56 - HE3 LYS 96 lone 1 84 - 1 - HB2 LEU 4 - HE3 LYS 96 lone 1 100 - 1 - HB3 LEU 4 - HE2 LYS 96 lone 1 100 - 1 - HB3 LEU 4 - HE3 LYS 96 lone 1 100 - 1 - HB2 LEU 4 - HE2 LYS 96 lone 1 100 - 1 - HG LEU 80 - HE3 LYS 94 lone 1 68 - 1 - HG LEU 4 - HE3 LYS 96 lone 1 90 - 1 - HG LEU 4 - HE2 LYS 96 lone 1 90 - 1 - HG12 ILE 56 - HE2 LYS 44 lone 1 84 - 1 - HG12 ILE 56 - HE3 LYS 44 lone 1 84 - 1 - HG2 LYS 49 - HE3 LYS 65 lone 1 34 - 2 - HG2 LYS 49 - HE2 LYS 65 lone 1 34 - 2 - HG3 LYS 49 - HE2 LYS 65 lone 1 34 - 2 - HG3 LYS 49 - HE3 LYS 65 lone 1 34 - 2 - HG3 LYS 17 - HE2 LYS 96 lone 1 90 - 1 - HG3 LYS 17 - HE3 LYS 96 lone 1 90 - 1 - HG3 LYS 17 - HE3 LYS 44 lone 1 90 - 1 - HG3 LYS 17 - HE2 LYS 44 lone 1 90 - 1 - HG LEU 80 - HE2 LYS 96 lone 1 100 - 1 - HG LEU 80 - HE3 LYS 96 lone 1 100 - 1 - HB3 LEU 4 - HE3 LYS 44 lone 1 100 - 1 - HB3 LEU 4 - HE2 LYS 44 lone 1 100 - 1 - HB2 LEU 4 - HE2 LYS 44 lone 1 100 - 1 - HB2 LEU 4 - HE3 LYS 44 lone 1 100 - 1 - HB3 LEU 63 - HE2 LYS 44 lone 1 81 - 1 - HB3 LEU 63 - HE3 LYS 44 lone 1 81 - 1 - HG3 ARG 30 - HE3 LYS 96 lone 0 87 - 1 - HG3 ARG 30 - HE2 LYS 96 lone 0 87 - 1 - HG3 ARG 30 - HE2 LYS 44 lone 0 87 - 1 - HG3 ARG 30 - HE3 LYS 44 lone 0 87 - 1 - HB3 LEU 63 - HE2 LYS 96 lone 0 81 - 1 - HB3 LEU 63 - HE3 LYS 96 lone 0 81 - 1 - HG LEU 80 - HE2 LYS 44 lone 0 100 - 0 - HG LEU 80 - HE3 LYS 44 lone 0 100 - 0 - HG LEU 4 - HE2 LYS 44 lone 0 90 - 0 - HG LEU 4 - HE3 LYS 44 lone 0 90 - 0 - HB3 LEU 6 - HE3 LYS 96 lone 0 65 - 1 - HB3 LEU 6 - HE2 LYS 96 lone 0 65 - 1 - HB3 LYS 61 - HE3 LYS 44 lone 0 96 - 0 - HB3 LYS 61 - HE2 LYS 44 lone 0 96 - 0 - HB3 LYS 61 - HE3 LYS 96 lone 0 96 - 0 - HB3 LYS 61 - HE2 LYS 96 lone 0 96 - 0 - HG LEU 80 - HE2 LYS 65 lone 0 63 - 1 - HG LEU 80 - HE3 LYS 65 lone 0 63 - 1 - HG2 LYS 49 - HE3 LYS 96 lone 0 65 - 0 - HG2 LYS 49 - HE2 LYS 96 lone 0 65 - 0 - HG3 LYS 49 - HE3 LYS 96 lone 0 65 - 0 - HG3 LYS 49 - HE2 LYS 96 lone 0 65 - 0 - HG12 ILE 56 - HE3 LYS 65 lone 0 46 - 1 - HG12 ILE 56 - HE2 LYS 65 lone 0 46 - 1 - HG3 LYS 49 - HE3 LYS 94 lone 0 37 - 1 - HG2 LYS 49 - HE3 LYS 94 lone 0 37 - 1 - HG2 LYS 39 - HE3 LYS 94 lone 0 40 - 1 - HG3 LYS 17 - HE3 LYS 94 lone 0 55 - 1 - HG2 LYS 49 - HE3 LYS 44 lone 0 65 - 0 - HG2 LYS 49 - HE2 LYS 44 lone 0 65 - 0 - HG3 LYS 49 - HE3 LYS 44 lone 0 65 - 0 - HG3 LYS 49 - HE2 LYS 44 lone 0 65 - 0 - HG2 LYS 39 - HE2 LYS 65 lone 0 36 - 1 - HG2 LYS 39 - HE3 LYS 65 lone 0 36 - 1 - HB3 LEU 63 - HE2 LYS 65 lone 0 44 - 1 - HB3 LEU 63 - HE3 LYS 65 lone 0 44 - 1 - HB2 LEU 4 - HE3 LYS 94 lone 0 67 - 0 - HB3 LEU 4 - HE3 LYS 94 lone 0 67 - 0 - HG12 ILE 7 - HE3 LYS 96 lone 0 61 - 0 - HG12 ILE 7 - HE2 LYS 96 lone 0 61 - 0 - HG3 ARG 30 - HE2 LYS 65 lone 0 48 - 0 - HG3 ARG 30 - HE3 LYS 65 lone 0 48 - 0 - HG3 ARG 30 - HE3 LYS 94 lone 0 53 - 0 - HG12 ILE 7 - HE2 LYS 44 lone 0 61 - 0 - HG12 ILE 7 - HE3 LYS 44 lone 0 61 - 0 - HG3 LYS 17 - HE3 LYS 65 lone 0 50 - 0 - HG3 LYS 17 - HE2 LYS 65 lone 0 50 - 0 - HB2 LEU 4 - HE3 LYS 65 lone 0 62 - 0 - HB3 LEU 4 - HE2 LYS 65 lone 0 62 - 0 - HB2 LEU 4 - HE2 LYS 65 lone 0 62 - 0 - HB3 LEU 4 - HE3 LYS 65 lone 0 62 - 0 - HB3 LEU 6 - HE3 LYS 44 lone 0 65 - 0 - HB3 LEU 6 - HE2 LYS 44 lone 0 65 - 0 - HG LEU 4 - HE3 LYS 94 lone 0 55 - 0 - HB3 LYS 61 - HE3 LYS 94 lone 0 61 - 0 - HG LEU 4 - HE3 LYS 65 lone 0 50 - 0 - HG LEU 4 - HE2 LYS 65 lone 0 50 - 0 - HB3 LYS 61 - HE2 LYS 65 lone 0 56 - 0 - HB3 LYS 61 - HE3 LYS 65 lone 0 56 - 0 - HB3 LEU 63 - HE3 LYS 94 lone 0 48 - 0 - HB3 LEU 6 - HE2 LYS 65 lone 0 34 - 0 - HB3 LEU 6 - HE3 LYS 65 lone 0 34 - 0 - HG12 ILE 7 - HE3 LYS 94 lone 0 35 - 0 - HB3 LEU 6 - HE3 LYS 94 lone 0 37 - 0 - HG12 ILE 7 - HE3 LYS 65 lone 0 31 - 0 - HG12 ILE 7 - HE2 LYS 65 lone 0 31 - 0 - Peak 6146 from cnoeabs.peaks (1.57, 2.93, 41.78 ppm; 2.98 A): 6 out of 84 assignments used, quality = 1.00: HG3 LYS 96 + HE3 LYS 96 OK 83 100 - 83 - 3.8=49, 6117/3.0=6...(38) * HG3 LYS 96 + HE2 LYS 96 OK 83 100 - 83 - 3.8=49, 6117/3.0=6...(38) HG2 LYS 44 + HE3 LYS 44 OK 70 87 - 81 - 3.7=50, 3954/3.0=5...(32) HG2 LYS 44 + HE2 LYS 44 OK 70 87 - 81 - 3.7=50, 3954/3.0=5...(32) HG3 LYS 96 + HE2 LYS 44 OK 50 100 - 51 - 6119=3, 2.9/6100=3...(26) HG3 LYS 96 + HE3 LYS 44 OK 50 100 - 51 - 6119=3, 2.9/6100=3...(26) HG2 LYS 44 - HE2 LYS 96 OK 34 87 - 39 - 1.8/3985=2, 3939=2...(18) HG2 LYS 44 - HE3 LYS 96 OK 34 87 - 39 - 1.8/3985=2, 3938=2...(18) HG2 LYS 115 - HE3 LYS 65 OK 13 54 - 24 - ~6784=2, ~6774=2...(6) HG2 LYS 115 - HE2 LYS 65 OK 13 54 - 24 - ~6784=2, ~6774=2...(6) HG2 LYS 123 - HE2 LYS 44 lone 7 99 - 8 - HG2 LYS 123 - HE3 LYS 44 lone 7 99 - 8 - HG3 LYS 96 - HE3 LYS 65 lone 6 63 - 9 - HG3 LYS 96 - HE2 LYS 65 lone 6 63 - 9 - HG2 LYS 123 - HE3 LYS 96 lone 3 99 - 3 - HG2 LYS 123 - HE2 LYS 96 lone 3 99 - 3 - HB3 LEU 70 - HE3 LYS 94 lone 2 68 - 3 - HG3 LYS 96 - HE3 LYS 94 lone 2 68 - 2 - HG2 LYS 123 - HE3 LYS 65 lone 2 60 - 2 - HG2 LYS 123 - HE2 LYS 65 lone 2 60 - 2 - HG2 LYS 123 - HE3 LYS 94 lone 1 65 - 2 - HG2 LYS 44 - HE3 LYS 65 lone 1 48 - 2 - HG2 LYS 44 - HE2 LYS 65 lone 1 48 - 2 - HG2 LYS 115 - HE3 LYS 94 lone 1 59 - 2 - HB3 LEU 70 - HE3 LYS 96 lone 1 100 - 1 - HB3 LEU 70 - HE2 LYS 96 lone 1 100 - 1 - HD3 LYS 106 - HE3 LYS 96 lone 1 96 - 1 - HD3 LYS 106 - HE2 LYS 96 lone 1 96 - 1 - HG2 LYS 115 - HE3 LYS 96 lone 1 94 - 1 - HG2 LYS 115 - HE2 LYS 96 lone 1 94 - 1 - HD2 LYS 106 - HE3 LYS 96 lone 1 94 - 1 - HD2 LYS 106 - HE2 LYS 96 lone 1 94 - 1 - HG2 LYS 44 - HE3 LYS 94 lone 1 53 - 2 - HB3 LEU 70 - HE2 LYS 44 lone 1 100 - 1 - HB3 LEU 70 - HE3 LYS 44 lone 1 100 - 1 - HG LEU 55 - HE3 LYS 94 lone 1 66 - 1 - HB3 LEU 70 - HE2 LYS 65 lone 1 63 - 1 - HB3 LEU 70 - HE3 LYS 65 lone 1 63 - 1 - HD3 LYS 106 - HE2 LYS 44 lone 1 96 - 1 - HD3 LYS 106 - HE3 LYS 44 lone 1 96 - 1 - HD2 LYS 106 - HE2 LYS 44 lone 1 94 - 1 - HD2 LYS 106 - HE3 LYS 44 lone 1 94 - 1 - HG2 LYS 115 - HE3 LYS 44 lone 1 94 - 1 - HG2 LYS 115 - HE2 LYS 44 lone 1 94 - 1 - HG LEU 55 - HE2 LYS 96 lone 0 99 - 0 - HG LEU 55 - HE3 LYS 96 lone 0 99 - 0 - HB VAL 78 - HE2 LYS 96 lone 0 84 - 1 - HB VAL 78 - HE3 LYS 96 lone 0 84 - 1 - HG12 ILE 116 - HE2 LYS 65 lone 0 44 - 1 - HG12 ILE 116 - HE3 LYS 65 lone 0 44 - 1 - HG LEU 68 - HE3 LYS 44 lone 0 65 - 1 - HG LEU 68 - HE2 LYS 44 lone 0 65 - 1 - HG LEU 55 - HE3 LYS 44 lone 0 99 - 0 - HG LEU 55 - HE2 LYS 44 lone 0 99 - 0 - HG LEU 55 - HE3 LYS 65 lone 0 61 - 1 - HG LEU 55 - HE2 LYS 65 lone 0 61 - 1 - HG LEU 68 - HE2 LYS 96 lone 0 65 - 0 - HG LEU 68 - HE3 LYS 96 lone 0 65 - 0 - HG12 ILE 3 - HE2 LYS 96 lone 0 94 - 0 - HG12 ILE 3 - HE3 LYS 96 lone 0 94 - 0 - HD3 LYS 106 - HE3 LYS 94 lone 0 61 - 0 - HG LEU 68 - HE3 LYS 65 lone 0 34 - 1 - HG LEU 68 - HE2 LYS 65 lone 0 34 - 1 - HG12 ILE 116 - HE2 LYS 44 lone 0 81 - 0 - HG12 ILE 116 - HE3 LYS 44 lone 0 81 - 0 - HD2 LYS 106 - HE3 LYS 94 lone 0 59 - 0 - HG12 ILE 116 - HE2 LYS 96 lone 0 81 - 0 - HG12 ILE 116 - HE3 LYS 96 lone 0 81 - 0 - HG12 ILE 3 - HE3 LYS 44 lone 0 94 - 0 - HG12 ILE 3 - HE2 LYS 44 lone 0 94 - 0 - HB VAL 78 - HE3 LYS 44 lone 0 84 - 0 - HB VAL 78 - HE2 LYS 44 lone 0 84 - 0 - HD3 LYS 106 - HE2 LYS 65 lone 0 56 - 0 - HD3 LYS 106 - HE3 LYS 65 lone 0 56 - 0 - HD2 LYS 106 - HE3 LYS 65 lone 0 54 - 0 - HD2 LYS 106 - HE2 LYS 65 lone 0 54 - 0 - HG12 ILE 3 - HE3 LYS 65 lone 0 54 - 0 - HG12 ILE 3 - HE2 LYS 65 lone 0 54 - 0 - HG12 ILE 116 - HE3 LYS 94 lone 0 48 - 0 - HG12 ILE 3 - HE3 LYS 94 lone 0 59 - 0 - HG LEU 68 - HE3 LYS 94 lone 0 37 - 0 - HB VAL 78 - HE3 LYS 94 lone 0 50 - 0 - HB VAL 78 - HE3 LYS 65 lone 0 46 - 0 - HB VAL 78 - HE2 LYS 65 lone 0 46 - 0 - Peak 6147 from cnoeabs.peaks (1.68, 2.93, 41.78 ppm; 2.50 A): 4 out of 133 assignments used, quality = 1.00: HD2 LYS 96 + HE3 LYS 96 OK 78 100 - 78 - 3.0=59, 6130/1.8=4...(25) * HD2 LYS 96 + HE2 LYS 96 OK 78 100 - 78 - 3.0=59, 6130/1.8=4...(25) HD3 LYS 96 + HE3 LYS 96 OK 78 100 - 78 - 3.0=59, 1.8/6129=4...(25) HD3 LYS 96 + HE2 LYS 96 OK 78 100 - 78 - 3.0=59, 1.8/6129=4...(25) HD2 LYS 96 - HE3 LYS 44 OK 34 100 - 34 - 6130=2, 3.4/6099=2...(9) HD2 LYS 96 - HE2 LYS 44 OK 34 100 - 34 - 6130=2, 3.4/6099=2...(9) HD3 LYS 96 - HE3 LYS 44 OK 34 100 - 34 - 6129=2, 3.4/6099=2...(9) HD3 LYS 96 - HE2 LYS 44 OK 34 100 - 34 - 6129=2, 3.4/6099=2...(9) HD3 LYS 73 - HE3 LYS 96 lone 5 100 - 5 - HD3 LYS 73 - HE2 LYS 96 lone 5 100 - 5 - HD2 LYS 73 - HE3 LYS 96 lone 5 99 - 5 - HD2 LYS 73 - HE2 LYS 96 lone 5 99 - 5 - HD3 LYS 20 - HE2 LYS 96 lone 5 98 - 5 - HD3 LYS 20 - HE3 LYS 96 lone 5 98 - 5 - HD2 LYS 20 - HE3 LYS 96 lone 5 97 - 5 - HD2 LYS 20 - HE2 LYS 96 lone 5 97 - 5 - HB ILE 56 - HE3 LYS 94 lone 5 61 - 8 - ~9551=2, 10948/3.0=2 HD2 LYS 43 - HE2 LYS 96 lone 4 100 - 4 - HD2 LYS 43 - HE3 LYS 96 lone 4 100 - 4 - HD3 LYS 43 - HE3 LYS 96 lone 4 100 - 4 - HD3 LYS 43 - HE2 LYS 96 lone 4 100 - 4 - HG3 ARG 95 - HE3 LYS 96 lone 4 99 - 4 - HG3 ARG 95 - HE2 LYS 96 lone 4 99 - 4 - HD2 LYS 96 - HE3 LYS 65 lone 4 63 - 6 - HD2 LYS 96 - HE2 LYS 65 lone 4 63 - 6 - HD3 LYS 96 - HE3 LYS 65 lone 4 62 - 6 - HD3 LYS 96 - HE2 LYS 65 lone 4 62 - 6 - HG3 LYS 123 - HE2 LYS 44 lone 3 65 - 4 - HG3 LYS 123 - HE3 LYS 44 lone 3 65 - 4 - HD2 LYS 43 - HE2 LYS 44 lone 2 100 - 2 - HD2 LYS 43 - HE3 LYS 44 lone 2 100 - 2 - HD3 LYS 43 - HE2 LYS 44 lone 2 100 - 2 - HD3 LYS 43 - HE3 LYS 44 lone 2 100 - 2 - HD3 LYS 73 - HE2 LYS 44 lone 2 100 - 2 - HD3 LYS 73 - HE3 LYS 44 lone 2 100 - 2 - HD2 LYS 73 - HE2 LYS 44 lone 2 99 - 2 - HD2 LYS 73 - HE3 LYS 44 lone 2 99 - 2 - HD3 LYS 40 - HE3 LYS 96 lone 2 100 - 2 - HD3 LYS 40 - HE2 LYS 96 lone 2 100 - 2 - HD2 LYS 40 - HE3 LYS 96 lone 2 100 - 2 - HD2 LYS 40 - HE2 LYS 96 lone 2 100 - 2 - HG3 LYS 39 - HE3 LYS 44 lone 2 65 - 3 - HG3 LYS 39 - HE2 LYS 44 lone 2 65 - 3 - HG3 ARG 95 - HE3 LYS 44 lone 1 99 - 1 - HG3 ARG 95 - HE2 LYS 44 lone 1 99 - 1 - HG3 LYS 39 - HE2 LYS 96 lone 1 65 - 2 - HG3 LYS 39 - HE3 LYS 96 lone 1 65 - 2 - HD3 LYS 20 - HE2 LYS 44 lone 1 98 - 1 - HD3 LYS 20 - HE3 LYS 44 lone 1 98 - 1 - HD2 LYS 20 - HE3 LYS 44 lone 1 97 - 1 - HD2 LYS 20 - HE2 LYS 44 lone 1 97 - 1 - HG3 LYS 123 - HE3 LYS 96 lone 1 65 - 1 - HG3 LYS 123 - HE2 LYS 96 lone 1 65 - 1 - HD2 LYS 96 - HE3 LYS 94 lone 1 68 - 1 - HD3 LYS 96 - HE3 LYS 94 lone 1 68 - 1 - HD2 LYS 16 - HE2 LYS 65 lone 1 60 - 1 - HD2 LYS 16 - HE3 LYS 65 lone 1 60 - 1 - HD2 LYS 16 - HE3 LYS 96 lone 1 99 - 1 - HD2 LYS 16 - HE2 LYS 96 lone 1 99 - 1 - HB ILE 56 - HE2 LYS 96 lone 1 96 - 1 - HB ILE 56 - HE3 LYS 96 lone 1 96 - 1 - HD3 LYS 16 - HE2 LYS 65 lone 1 56 - 1 - HD3 LYS 16 - HE3 LYS 65 lone 1 56 - 1 - HD3 LYS 16 - HE2 LYS 96 lone 1 96 - 1 - HD3 LYS 16 - HE3 LYS 96 lone 1 96 - 1 - HB ILE 54 - HE2 LYS 96 lone 1 100 - 1 - HB ILE 54 - HE3 LYS 96 lone 1 100 - 1 - HD3 LYS 40 - HE2 LYS 44 lone 1 100 - 1 - HD3 LYS 40 - HE3 LYS 44 lone 1 100 - 1 - HD2 LYS 40 - HE3 LYS 44 lone 1 100 - 1 - HD2 LYS 40 - HE2 LYS 44 lone 1 100 - 1 - HD2 LYS 16 - HE3 LYS 44 lone 0 99 - 0 - HD2 LYS 16 - HE2 LYS 44 lone 0 99 - 0 - HD3 LYS 16 - HE2 LYS 44 lone 0 96 - 0 - HD3 LYS 16 - HE3 LYS 44 lone 0 96 - 0 - HB ILE 54 - HE3 LYS 44 lone 0 100 - 0 - HB ILE 54 - HE2 LYS 44 lone 0 100 - 0 - HD2 LYS 17 - HE2 LYS 44 lone 0 100 - 0 - HD2 LYS 17 - HE3 LYS 44 lone 0 100 - 0 - HG12 ILE 71 - HE2 LYS 96 lone 0 84 - 0 - HG12 ILE 71 - HE3 LYS 96 lone 0 84 - 0 - HD2 LYS 17 - HE2 LYS 96 lone 0 100 - 0 - HD2 LYS 17 - HE3 LYS 96 lone 0 100 - 0 - HB ILE 56 - HE2 LYS 44 lone 0 96 - 0 - HB ILE 56 - HE3 LYS 44 lone 0 96 - 0 - HG3 LYS 123 - HE2 LYS 65 lone 0 34 - 1 - HG3 LYS 123 - HE3 LYS 65 lone 0 34 - 1 - HD2 LYS 43 - HE3 LYS 94 lone 0 68 - 1 - HB ILE 54 - HE3 LYS 65 lone 0 63 - 1 - HB ILE 54 - HE2 LYS 65 lone 0 63 - 1 - HG3 LYS 123 - HE3 LYS 94 lone 0 37 - 1 - HD3 LYS 43 - HE3 LYS 94 lone 0 67 - 1 - HB ILE 54 - HE3 LYS 94 lone 0 68 - 0 - HD3 LYS 40 - HE2 LYS 65 lone 0 63 - 0 - HD3 LYS 40 - HE3 LYS 65 lone 0 63 - 0 - HD2 LYS 40 - HE3 LYS 65 lone 0 63 - 0 - HD2 LYS 40 - HE2 LYS 65 lone 0 63 - 0 - HG12 ILE 71 - HE2 LYS 44 lone 0 84 - 0 - HG12 ILE 71 - HE3 LYS 44 lone 0 84 - 0 - HD2 LYS 17 - HE3 LYS 65 lone 0 63 - 0 - HD2 LYS 17 - HE2 LYS 65 lone 0 63 - 0 - HD3 LYS 20 - HE3 LYS 94 lone 0 64 - 0 - HD3 LYS 40 - HE3 LYS 94 lone 0 68 - 0 - HD2 LYS 20 - HE3 LYS 94 lone 0 63 - 0 - HD2 LYS 40 - HE3 LYS 94 lone 0 68 - 0 - HG3 ARG 95 - HE3 LYS 94 lone 0 65 - 0 - HD2 LYS 17 - HE3 LYS 94 lone 0 68 - 0 - HD2 LYS 43 - HE3 LYS 65 lone 0 62 - 0 - HD2 LYS 43 - HE2 LYS 65 lone 0 62 - 0 - HD3 LYS 43 - HE2 LYS 65 lone 0 62 - 0 - HD3 LYS 43 - HE3 LYS 65 lone 0 62 - 0 - HD3 LYS 20 - HE3 LYS 65 lone 0 59 - 0 - HD3 LYS 20 - HE2 LYS 65 lone 0 59 - 0 - HD2 LYS 20 - HE2 LYS 65 lone 0 58 - 0 - HD2 LYS 20 - HE3 LYS 65 lone 0 58 - 0 - HG3 ARG 95 - HE2 LYS 65 lone 0 60 - 0 - HG3 ARG 95 - HE3 LYS 65 lone 0 60 - 0 - HD3 LYS 73 - HE2 LYS 65 lone 0 62 - 0 - HD3 LYS 73 - HE3 LYS 65 lone 0 62 - 0 - HD2 LYS 16 - HE3 LYS 94 lone 0 65 - 0 - HD2 LYS 73 - HE3 LYS 65 lone 0 61 - 0 - HD2 LYS 73 - HE2 LYS 65 lone 0 61 - 0 - HG3 LYS 39 - HE3 LYS 94 lone 0 37 - 0 - HD3 LYS 73 - HE3 LYS 94 lone 0 67 - 0 - HD2 LYS 73 - HE3 LYS 94 lone 0 66 - 0 - HB ILE 56 - HE2 LYS 65 lone 0 56 - 0 - HB ILE 56 - HE3 LYS 65 lone 0 56 - 0 - HD3 LYS 16 - HE3 LYS 94 lone 0 61 - 0 - HG12 ILE 71 - HE3 LYS 65 lone 0 46 - 0 - HG12 ILE 71 - HE2 LYS 65 lone 0 46 - 0 - HG3 LYS 39 - HE2 LYS 65 lone 0 34 - 0 - HG3 LYS 39 - HE3 LYS 65 lone 0 34 - 0 - HG12 ILE 71 - HE3 LYS 94 lone 0 50 - 0 - Peak 6148 from cnoeabs.peaks (1.68, 2.93, 41.78 ppm; 2.50 A): 6 out of 140 assignments used, quality = 1.00: * HD3 LYS 96 + HE2 LYS 96 OK 78 100 - 78 - 3.0=59, 1.8/6129=4...(25) HD3 LYS 96 + HE3 LYS 96 OK 78 100 - 78 - 3.0=59, 1.8/6129=4...(25) HD2 LYS 96 + HE3 LYS 96 OK 78 100 - 78 - 3.0=59, 6130/1.8=4...(25) HD2 LYS 96 + HE2 LYS 96 OK 78 100 - 78 - 3.0=59, 6130/1.8=4...(25) HD2 LYS 44 + HE2 LYS 44 OK 49 65 - 75 - 3.0=60, 1.8/3958=5...(22) HD2 LYS 44 + HE3 LYS 44 OK 49 65 - 75 - 3.0=60, 1.8/3958=5...(22) HD3 LYS 96 - HE3 LYS 44 OK 34 100 - 34 - 6130=2, 3.4/6099=2...(9) HD3 LYS 96 - HE2 LYS 44 OK 34 100 - 34 - 6130=2, 3.4/6099=2...(9) HD2 LYS 96 - HE3 LYS 44 OK 34 100 - 34 - 6129=2, 3.4/6099=2...(9) HD2 LYS 96 - HE2 LYS 44 OK 34 100 - 34 - 6130=2, 3.4/6099=2...(9) HD2 LYS 44 - HE3 LYS 96 OK 15 65 - 23 - 1.8/3959=2, 3958=1...(4) HD2 LYS 44 - HE2 LYS 96 OK 15 65 - 23 - 1.8/3959=2, 3958=1...(4) HD3 LYS 73 - HE2 LYS 96 lone 5 100 - 5 - HD3 LYS 73 - HE3 LYS 96 lone 5 100 - 5 - HD2 LYS 73 - HE3 LYS 96 lone 5 100 - 5 - HD2 LYS 73 - HE2 LYS 96 lone 5 100 - 5 - HB ILE 56 - HE3 LYS 94 lone 5 64 - 8 - ~9551=2, 10948/3.0=2 HD3 LYS 20 - HE2 LYS 96 lone 5 99 - 5 - HD3 LYS 20 - HE3 LYS 96 lone 5 99 - 5 - HD2 LYS 20 - HE2 LYS 96 lone 5 99 - 5 - HD2 LYS 20 - HE3 LYS 96 lone 5 99 - 5 - HD2 LYS 43 - HE3 LYS 96 lone 4 99 - 4 - HD2 LYS 43 - HE2 LYS 96 lone 4 99 - 4 - HD3 LYS 43 - HE3 LYS 96 lone 4 100 - 4 - HD3 LYS 43 - HE2 LYS 96 lone 4 100 - 4 - HG3 ARG 95 - HE3 LYS 96 lone 4 97 - 4 - HG3 ARG 95 - HE2 LYS 96 lone 4 97 - 4 - HD3 LYS 96 - HE3 LYS 65 lone 4 63 - 6 - HD3 LYS 96 - HE2 LYS 65 lone 4 63 - 6 - HD2 LYS 96 - HE3 LYS 65 lone 4 62 - 6 - HD2 LYS 96 - HE2 LYS 65 lone 4 62 - 6 - HG3 LYS 123 - HE3 LYS 44 lone 3 73 - 4 - HG3 LYS 123 - HE2 LYS 44 lone 3 73 - 4 - HD2 LYS 43 - HE2 LYS 44 lone 2 99 - 2 - HD2 LYS 43 - HE3 LYS 44 lone 2 99 - 2 - HD3 LYS 43 - HE2 LYS 44 lone 2 100 - 2 - HD3 LYS 43 - HE3 LYS 44 lone 2 100 - 2 - HD3 LYS 73 - HE2 LYS 44 lone 2 100 - 2 - HD3 LYS 73 - HE3 LYS 44 lone 2 100 - 2 - HD2 LYS 73 - HE2 LYS 44 lone 2 100 - 2 - HD2 LYS 73 - HE3 LYS 44 lone 2 100 - 2 - HG3 LYS 39 - HE2 LYS 44 lone 2 73 - 3 - HG3 LYS 39 - HE3 LYS 44 lone 2 73 - 3 - HD3 LYS 40 - HE2 LYS 96 lone 2 100 - 2 - HD3 LYS 40 - HE3 LYS 96 lone 2 100 - 2 - HD2 LYS 40 - HE2 LYS 96 lone 2 100 - 2 - HD2 LYS 40 - HE3 LYS 96 lone 2 100 - 2 - HG3 ARG 95 - HE3 LYS 44 lone 1 97 - 1 - HG3 ARG 95 - HE2 LYS 44 lone 1 97 - 1 - HG3 LYS 39 - HE3 LYS 96 lone 1 73 - 2 - HG3 LYS 39 - HE2 LYS 96 lone 1 73 - 2 - HG3 LYS 123 - HE3 LYS 96 lone 1 73 - 1 - HG3 LYS 123 - HE2 LYS 96 lone 1 73 - 1 - HD3 LYS 20 - HE2 LYS 44 lone 1 99 - 1 - HD3 LYS 20 - HE3 LYS 44 lone 1 99 - 1 - HD2 LYS 20 - HE2 LYS 44 lone 1 99 - 1 - HD2 LYS 20 - HE3 LYS 44 lone 1 99 - 1 - HD3 LYS 96 - HE3 LYS 94 lone 1 68 - 1 - HD2 LYS 96 - HE3 LYS 94 lone 1 68 - 1 - HD2 LYS 16 - HE2 LYS 65 lone 1 62 - 1 - HD2 LYS 16 - HE3 LYS 65 lone 1 62 - 1 - HD2 LYS 16 - HE3 LYS 96 lone 1 100 - 1 - HD2 LYS 16 - HE2 LYS 96 lone 1 100 - 1 - HB ILE 56 - HE3 LYS 96 lone 1 98 - 1 - HB ILE 56 - HE2 LYS 96 lone 1 98 - 1 - HD3 LYS 16 - HE2 LYS 65 lone 1 59 - 1 - HD3 LYS 16 - HE3 LYS 65 lone 1 59 - 1 - HD3 LYS 16 - HE3 LYS 96 lone 1 98 - 1 - HD3 LYS 16 - HE2 LYS 96 lone 1 98 - 1 - HB ILE 54 - HE2 LYS 96 lone 1 100 - 1 - HB ILE 54 - HE3 LYS 96 lone 1 100 - 1 - HD3 LYS 40 - HE3 LYS 44 lone 1 100 - 1 - HD3 LYS 40 - HE2 LYS 44 lone 1 100 - 1 - HD2 LYS 16 - HE3 LYS 44 lone 1 100 - 0 - HD2 LYS 16 - HE2 LYS 44 lone 1 100 - 0 - HD2 LYS 40 - HE2 LYS 44 lone 1 100 - 1 - HD2 LYS 40 - HE3 LYS 44 lone 1 100 - 1 - HD3 LYS 16 - HE3 LYS 44 lone 0 98 - 0 - HD3 LYS 16 - HE2 LYS 44 lone 0 98 - 0 - HB ILE 54 - HE2 LYS 44 lone 0 100 - 0 - HB ILE 54 - HE3 LYS 44 lone 0 100 - 0 - HG3 LYS 123 - HE3 LYS 65 lone 0 39 - 1 - HG3 LYS 123 - HE2 LYS 65 lone 0 39 - 1 - HG12 ILE 71 - HE2 LYS 96 lone 0 90 - 0 - HG12 ILE 71 - HE3 LYS 96 lone 0 90 - 0 - HG3 LYS 123 - HE3 LYS 94 lone 0 43 - 1 - HD2 LYS 17 - HE3 LYS 44 lone 0 100 - 0 - HD2 LYS 17 - HE2 LYS 44 lone 0 100 - 0 - HD2 LYS 17 - HE3 LYS 96 lone 0 100 - 0 - HD2 LYS 17 - HE2 LYS 96 lone 0 100 - 0 - HB ILE 56 - HE2 LYS 44 lone 0 98 - 0 - HB ILE 56 - HE3 LYS 44 lone 0 98 - 0 - HD2 LYS 44 - HE3 LYS 65 lone 0 34 - 1 - HD2 LYS 44 - HE2 LYS 65 lone 0 34 - 1 - HD2 LYS 43 - HE3 LYS 94 lone 0 66 - 1 - HD3 LYS 43 - HE3 LYS 94 lone 0 68 - 1 - HB ILE 54 - HE2 LYS 65 lone 0 63 - 1 - HB ILE 54 - HE3 LYS 65 lone 0 63 - 1 - HB ILE 54 - HE3 LYS 94 lone 0 68 - 0 - HD2 LYS 40 - HE2 LYS 65 lone 0 63 - 0 - HD2 LYS 40 - HE3 LYS 65 lone 0 63 - 0 - HD3 LYS 40 - HE2 LYS 65 lone 0 62 - 0 - HD3 LYS 40 - HE3 LYS 65 lone 0 62 - 0 - HG12 ILE 71 - HE2 LYS 44 lone 0 90 - 0 - HG12 ILE 71 - HE3 LYS 44 lone 0 90 - 0 - HD2 LYS 44 - HE3 LYS 94 lone 0 37 - 1 - HD2 LYS 17 - HE2 LYS 65 lone 0 62 - 0 - HD2 LYS 17 - HE3 LYS 65 lone 0 62 - 0 - HD3 LYS 20 - HE3 LYS 94 lone 0 66 - 0 - HD2 LYS 20 - HE3 LYS 94 lone 0 65 - 0 - HD2 LYS 40 - HE3 LYS 94 lone 0 68 - 0 - HD3 LYS 40 - HE3 LYS 94 lone 0 68 - 0 - HG3 LYS 39 - HE3 LYS 94 lone 0 43 - 0 - HD3 LYS 20 - HE2 LYS 65 lone 0 61 - 0 - HD3 LYS 20 - HE3 LYS 65 lone 0 61 - 0 - HD2 LYS 20 - HE3 LYS 65 lone 0 60 - 0 - HD2 LYS 20 - HE2 LYS 65 lone 0 60 - 0 - HD2 LYS 17 - HE3 LYS 94 lone 0 68 - 0 - HD3 LYS 43 - HE2 LYS 65 lone 0 63 - 0 - HD3 LYS 43 - HE3 LYS 65 lone 0 63 - 0 - HD2 LYS 43 - HE2 LYS 65 lone 0 61 - 0 - HD2 LYS 43 - HE3 LYS 65 lone 0 61 - 0 - HG3 ARG 95 - HE3 LYS 94 lone 0 63 - 0 - HD2 LYS 16 - HE3 LYS 94 lone 0 67 - 0 - HD3 LYS 73 - HE2 LYS 65 lone 0 63 - 0 - HD3 LYS 73 - HE3 LYS 65 lone 0 63 - 0 - HD2 LYS 73 - HE3 LYS 65 lone 0 62 - 0 - HD2 LYS 73 - HE2 LYS 65 lone 0 62 - 0 - HG3 ARG 95 - HE3 LYS 65 lone 0 58 - 0 - HG3 ARG 95 - HE2 LYS 65 lone 0 58 - 0 - HD3 LYS 16 - HE3 LYS 94 lone 0 64 - 0 - HB ILE 56 - HE2 LYS 65 lone 0 59 - 0 - HB ILE 56 - HE3 LYS 65 lone 0 59 - 0 - HD3 LYS 73 - HE3 LYS 94 lone 0 68 - 0 - HD2 LYS 73 - HE3 LYS 94 lone 0 68 - 0 - HG12 ILE 71 - HE2 LYS 65 lone 0 50 - 0 - HG12 ILE 71 - HE3 LYS 65 lone 0 50 - 0 - HG3 LYS 39 - HE2 LYS 65 lone 0 39 - 0 - HG3 LYS 39 - HE3 LYS 65 lone 0 39 - 0 - HG12 ILE 71 - HE3 LYS 94 lone 0 55 - 0 - Peak 6149 from cnoeabs.peaks (2.93, 2.93, 41.78 ppm; diagonal): 5 out of 7 assignments used, quality = 1.00: HE3 LYS 96 + HE3 LYS 96 OK 100 100 - 100 * HE2 LYS 96 + HE2 LYS 96 OK 100 100 - 100 HE2 LYS 44 + HE2 LYS 44 OK 100 100 - 100 HE3 LYS 44 + HE3 LYS 44 OK 100 100 - 100 HE3 LYS 94 + HE3 LYS 94 OK 50 50 - 100 HE2 LYS 65 - HE2 LYS 65 OK 44 44 - 100 HE3 LYS 65 - HE3 LYS 65 OK 44 44 - 100 Peak 6150 from cnoeabs.peaks (2.93, 2.93, 41.78 ppm; diagonal): 5 out of 7 assignments used, quality = 1.00: HE3 LYS 96 + HE3 LYS 96 OK 100 100 - 100 HE2 LYS 96 + HE2 LYS 96 OK 100 100 - 100 HE2 LYS 44 + HE2 LYS 44 OK 100 100 - 100 HE3 LYS 44 + HE3 LYS 44 OK 100 100 - 100 HE3 LYS 94 + HE3 LYS 94 OK 50 50 - 100 HE2 LYS 65 - HE2 LYS 65 OK 44 44 - 100 HE3 LYS 65 - HE3 LYS 65 OK 44 44 - 100 Reference assignment not found: HE3 LYS 96 - HE2 LYS 96 Peak 6153 from cnoeabs.peaks (1.90, 2.93, 41.78 ppm; 3.41 A): 12 out of 140 assignments used, quality = 1.00: * HB2 LYS 96 + HE3 LYS 96 OK 85 100 - 85 - 4.9=34, 1.8/6100=6...(57) HB2 LYS 96 + HE2 LYS 96 OK 85 100 - 85 - 4.9=34, 1.8/6100=6...(57) HB3 LYS 44 + HE2 LYS 44 OK 81 99 - 82 - 5.0=32, 2.9/3984=5...(57) HB3 LYS 44 + HE3 LYS 44 OK 81 99 - 82 - 5.0=32, 2.9/3984=5...(57) HB2 LYS 44 + HE3 LYS 44 OK 75 92 - 82 - 5.0=32, 2.9/3974=5...(58) HB2 LYS 44 + HE2 LYS 44 OK 75 92 - 82 - 5.0=32, 2.9/3974=5...(58) HB2 LYS 96 + HE2 LYS 44 OK 61 100 - 61 - 1.8/6100=5, 3.0/6079=4...(42) HB2 LYS 96 + HE3 LYS 44 OK 61 100 - 61 - 1.8/6100=5, 3.0/6079=4...(42) HB3 LYS 44 + HE3 LYS 96 OK 49 99 - 49 - 3.0/3909=3, 2.9/3938=2...(29) HB3 LYS 44 + HE2 LYS 96 OK 49 99 - 49 - 3.0/3909=3, 2.9/3938=2...(29) HB2 LYS 44 + HE3 LYS 96 OK 46 92 - 50 - 3.0/3909=3, 2.9/3939=2...(29) HB2 LYS 44 + HE2 LYS 96 OK 46 92 - 50 - 3.0/3909=3, 2.9/3939=2...(29) HB2 LYS 43 - HE3 LYS 96 OK 12 98 - 12 - 4.7/1290=1 HB2 LYS 43 - HE2 LYS 96 OK 12 98 - 12 - 4.7/1290=1 HB3 LYS 43 - HE2 LYS 96 OK 11 100 - 11 - 4.7/1291=1 HB3 LYS 43 - HE3 LYS 96 OK 11 100 - 11 - 4.7/1291=1 HB3 LYS 43 - HE2 LYS 44 OK 11 100 - 11 - 4.7/1290=2 HB3 LYS 43 - HE3 LYS 44 OK 11 100 - 11 - 4.7/1290=2 HB2 LYS 43 - HE2 LYS 44 OK 11 98 - 11 - 4.7/1291=2 HB2 LYS 43 - HE3 LYS 44 OK 11 98 - 11 - 4.7/1291=2 HB2 ARG 95 - HE3 LYS 96 OK 10 99 - 11 - 7789/7.5=3, 8327/6.3=2, ~6020=1 HB2 ARG 95 - HE2 LYS 96 OK 10 99 - 11 - 7789/7.5=3, 8327/6.3=2, ~6020=1 HB2 LYS 73 - HE3 LYS 96 OK 10 98 - 10 - HB2 LYS 73 - HE2 LYS 96 OK 10 98 - 10 - HB3 LYS 73 - HE2 LYS 96 poor 10 97 - 10 - HB3 LYS 73 - HE3 LYS 96 poor 10 97 - 10 - HB2 LYS 20 - HE2 LYS 96 lone 8 90 - 9 - HB3 LYS 20 - HE3 LYS 96 lone 8 90 - 9 - HB2 LYS 20 - HE3 LYS 96 lone 8 90 - 9 - HB3 LYS 20 - HE2 LYS 96 lone 8 90 - 9 - HB2 LYS 96 - HE2 LYS 65 poor 8 63 - 12 - HB2 LYS 96 - HE3 LYS 65 poor 8 63 - 12 - HB3 LYS 123 - HE3 LYS 44 lone 8 84 - 9 - HB3 LYS 123 - HE2 LYS 44 lone 8 84 - 9 - HB2 LYS 73 - HE2 LYS 44 lone 4 98 - 4 - HB2 LYS 73 - HE3 LYS 44 lone 4 98 - 4 - HB3 LYS 73 - HE3 LYS 44 lone 4 97 - 4 - HB3 LYS 73 - HE2 LYS 44 lone 4 97 - 4 - HB3 LYS 43 - HE3 LYS 94 lone 4 68 - 5 - ~11106=2, ~8085=1 HB2 LYS 43 - HE3 LYS 94 lone 3 64 - 5 - ~11106=2, ~8085=1 HB3 LYS 123 - HE2 LYS 96 lone 3 84 - 3 - HB3 LYS 123 - HE3 LYS 96 lone 3 84 - 3 - HB2 LYS 49 - HE3 LYS 65 lone 2 62 - 3 - HB2 LYS 49 - HE2 LYS 65 lone 2 62 - 3 - HB2 LEU 45 - HE3 LYS 96 lone 2 100 - 2 - HB2 LEU 45 - HE2 LYS 96 lone 2 100 - 2 - HB2 LEU 45 - HE3 LYS 44 lone 2 100 - 2 - HB2 LEU 45 - HE2 LYS 44 lone 2 100 - 2 - HB2 ARG 95 - HE2 LYS 44 lone 2 99 - 2 - HB2 ARG 95 - HE3 LYS 44 lone 2 99 - 2 - HB2 LYS 20 - HE3 LYS 44 lone 2 90 - 2 - HB3 LYS 20 - HE3 LYS 44 lone 2 90 - 2 - HB3 LYS 20 - HE2 LYS 44 lone 2 90 - 2 - HB2 LYS 20 - HE2 LYS 44 lone 2 90 - 2 - HB2 LYS 96 - HE3 LYS 94 lone 2 68 - 3 - HB3 LYS 44 - HE3 LYS 65 lone 2 60 - 3 - HB3 LYS 44 - HE2 LYS 65 lone 2 60 - 3 - HG LEU 45 - HE2 LYS 44 lone 2 61 - 3 - HG LEU 45 - HE3 LYS 44 lone 2 61 - 3 - HB3 LYS 44 - HE3 LYS 94 lone 2 65 - 2 - HB2 LEU 81 - HE3 LYS 65 lone 1 34 - 4 - HB2 LEU 81 - HE2 LYS 65 lone 1 34 - 4 - HB2 LYS 44 - HE2 LYS 65 lone 1 52 - 3 - HB2 LYS 44 - HE3 LYS 65 lone 1 52 - 3 - HB3 LYS 123 - HE3 LYS 65 lone 1 46 - 3 - HB3 LYS 123 - HE2 LYS 65 lone 1 46 - 3 - HB2 LYS 44 - HE3 LYS 94 lone 1 57 - 2 - HB2 GLU 128 - HE3 LYS 96 lone 1 100 - 1 - HB2 GLU 128 - HE2 LYS 96 lone 1 100 - 1 - HG LEU 45 - HE3 LYS 96 lone 1 61 - 2 - HG LEU 45 - HE2 LYS 96 lone 1 61 - 2 - HB3 LYS 123 - HE3 LYS 94 lone 1 50 - 2 - HB ILE 71 - HE3 LYS 65 lone 1 60 - 1 - HB ILE 71 - HE2 LYS 65 lone 1 60 - 1 - HB ILE 71 - HE2 LYS 96 lone 1 99 - 1 - HB ILE 71 - HE3 LYS 96 lone 1 99 - 1 - HB ILE 71 - HE3 LYS 44 lone 1 99 - 1 - HB ILE 71 - HE2 LYS 44 lone 1 99 - 1 - HB2 GLU 128 - HE2 LYS 44 lone 1 100 - 1 - HB2 GLU 128 - HE3 LYS 44 lone 1 100 - 1 - HB ILE 71 - HE3 LYS 94 lone 1 65 - 1 - HB2 LYS 20 - HE3 LYS 94 lone 1 55 - 1 - HB3 LYS 20 - HE3 LYS 94 lone 1 55 - 1 - HB2 LYS 49 - HE3 LYS 94 lone 0 68 - 1 - HB2 LYS 49 - HE2 LYS 96 lone 0 100 - 0 - HB2 LYS 49 - HE3 LYS 96 lone 0 100 - 0 - HB2 LYS 49 - HE2 LYS 44 lone 0 100 - 0 - HB2 LYS 49 - HE3 LYS 44 lone 0 100 - 0 - HB3 LYS 43 - HE3 LYS 65 lone 0 63 - 1 - HB3 LYS 43 - HE2 LYS 65 lone 0 63 - 1 - HB ILE 7 - HE3 LYS 96 lone 0 94 - 0 - HB ILE 7 - HE2 LYS 96 lone 0 94 - 0 - HB ILE 7 - HE3 LYS 44 lone 0 94 - 0 - HB ILE 7 - HE2 LYS 44 lone 0 94 - 0 - HB2 LYS 43 - HE3 LYS 65 lone 0 59 - 1 - HB2 LYS 43 - HE2 LYS 65 lone 0 59 - 1 - HB ILE 15 - HE3 LYS 44 lone 0 81 - 0 - HB ILE 15 - HE2 LYS 44 lone 0 81 - 0 - HB2 LYS 73 - HE3 LYS 65 lone 0 59 - 1 - HB2 LYS 73 - HE2 LYS 65 lone 0 59 - 1 - HB3 LYS 73 - HE3 LYS 94 lone 0 63 - 0 - HB2 ARG 95 - HE3 LYS 94 lone 0 66 - 0 - HB2 LEU 81 - HE3 LYS 94 lone 0 37 - 1 - HB2 LEU 81 - HE3 LYS 44 lone 0 65 - 0 - HB2 LEU 81 - HE2 LYS 44 lone 0 65 - 0 - HB2 LYS 73 - HE3 LYS 94 lone 0 64 - 0 - HB2 ARG 95 - HE2 LYS 65 lone 0 61 - 0 - HB2 ARG 95 - HE3 LYS 65 lone 0 61 - 0 - HG2 MET 121 - HE3 LYS 44 lone 0 73 - 0 - HG2 MET 121 - HE2 LYS 44 lone 0 73 - 0 - HB2 LEU 81 - HE2 LYS 96 lone 0 65 - 0 - HB2 LEU 81 - HE3 LYS 96 lone 0 65 - 0 - HB ILE 15 - HE2 LYS 96 lone 0 81 - 0 - HB ILE 15 - HE3 LYS 96 lone 0 81 - 0 - HB3 LYS 20 - HE2 LYS 65 lone 0 50 - 1 - HB3 LYS 20 - HE3 LYS 65 lone 0 50 - 1 - HB2 LYS 20 - HE2 LYS 65 lone 0 50 - 1 - HB2 LYS 20 - HE3 LYS 65 lone 0 50 - 1 - HB3 LYS 73 - HE2 LYS 65 lone 0 58 - 0 - HB3 LYS 73 - HE3 LYS 65 lone 0 58 - 0 - HG2 MET 121 - HE2 LYS 96 lone 0 73 - 0 - HG2 MET 121 - HE3 LYS 96 lone 0 73 - 0 - HB2 LEU 45 - HE3 LYS 94 lone 0 67 - 0 - HB2 GLU 128 - HE3 LYS 94 lone 0 68 - 0 - HB ILE 7 - HE3 LYS 94 lone 0 59 - 0 - HB2 GLU 128 - HE3 LYS 65 lone 0 63 - 0 - HB2 GLU 128 - HE2 LYS 65 lone 0 63 - 0 - HB2 LEU 45 - HE3 LYS 65 lone 0 62 - 0 - HB2 LEU 45 - HE2 LYS 65 lone 0 62 - 0 - HB ILE 15 - HE3 LYS 94 lone 0 48 - 0 - HB ILE 7 - HE2 LYS 65 lone 0 54 - 0 - HB ILE 7 - HE3 LYS 65 lone 0 54 - 0 - HG2 MET 121 - HE3 LYS 94 lone 0 43 - 0 - HG2 MET 121 - HE2 LYS 65 lone 0 39 - 0 - HG2 MET 121 - HE3 LYS 65 lone 0 39 - 0 - HB ILE 15 - HE3 LYS 65 lone 0 44 - 0 - HB ILE 15 - HE2 LYS 65 lone 0 44 - 0 - HG LEU 45 - HE3 LYS 94 lone 0 35 - 0 - HG LEU 45 - HE3 LYS 65 lone 0 31 - 0 - HG LEU 45 - HE2 LYS 65 lone 0 31 - 0 - Peak 6154 from cnoeabs.peaks (1.97, 2.93, 41.78 ppm; 4.18 A): 4 out of 63 assignments used, quality = 1.00: HB3 LYS 96 + HE2 LYS 96 OK 97 100 - 97 - 4.9=62, 6097/3.0=11...(75) * HB3 LYS 96 + HE3 LYS 96 OK 97 100 - 97 - 4.9=62, 6097/3.0=11...(75) HB3 LYS 96 + HE2 LYS 44 OK 80 100 - 80 - 6100=10, 6099/1.8=8...(66) HB3 LYS 96 + HE3 LYS 44 OK 80 100 - 80 - 6099=10, 6099/1.8=8...(66) HB3 ARG 95 - HE2 LYS 96 OK 16 100 - 16 - 7790/7.5=5, ~6020=2...(5) HB3 ARG 95 - HE3 LYS 96 OK 16 100 - 16 - 7790/7.5=5, ~6020=2...(5) HB3 LYS 96 - HE3 LYS 65 OK 12 63 - 19 - 6099=2, 6100/1.8=1 HB3 LYS 96 - HE2 LYS 65 OK 12 63 - 19 - 6099=2, 6100/1.8=1 HB2 LYS 40 - HE3 LYS 96 poor 9 61 - 14 - 8044/6.3=4, 3658/7.5=1 HB2 LYS 40 - HE2 LYS 96 poor 9 61 - 14 - 8044/6.3=4, 3658/7.5=1 HB3 LYS 96 - HE3 LYS 94 lone 3 68 - 5 - 3.0/6079=1 HB2 LYS 40 - HE3 LYS 44 lone 3 61 - 4 - 8044/6.5=1 HB2 LYS 40 - HE2 LYS 44 lone 3 61 - 4 - 8044/6.5=1 HB3 ARG 95 - HE3 LYS 44 lone 2 100 - 2 - HB3 ARG 95 - HE2 LYS 44 lone 2 100 - 2 - HB3 GLU 128 - HE2 LYS 96 lone 1 70 - 2 - HB3 GLU 128 - HE3 LYS 96 lone 1 70 - 2 - HB VAL 29 - HE3 LYS 94 lone 1 37 - 3 - HB3 GLU 128 - HE2 LYS 44 lone 1 70 - 1 - HB3 GLU 128 - HE3 LYS 44 lone 1 70 - 1 - HB3 GLU 21 - HE2 LYS 96 lone 1 100 - 1 - HB3 GLU 21 - HE3 LYS 96 lone 1 100 - 1 - HB3 GLU 21 - HE3 LYS 65 lone 1 62 - 1 - HB3 GLU 21 - HE2 LYS 65 lone 1 62 - 1 - HB3 GLU 21 - HE2 LYS 44 lone 1 100 - 1 - HB3 GLU 21 - HE3 LYS 44 lone 1 100 - 1 - HB3 GLU 103 - HE3 LYS 96 lone 1 73 - 1 - HB3 GLU 103 - HE2 LYS 96 lone 1 73 - 1 - HB3 GLU 103 - HE2 LYS 44 lone 1 73 - 1 - HB3 GLU 103 - HE3 LYS 44 lone 1 73 - 1 - HB3 GLU 21 - HE3 LYS 94 lone 1 68 - 1 - HB2 LYS 40 - HE2 LYS 65 lone 1 31 - 2 - HB2 LYS 40 - HE3 LYS 65 lone 1 31 - 2 - HB VAL 22 - HE3 LYS 96 lone 1 84 - 1 - HB VAL 22 - HE2 LYS 96 lone 1 84 - 1 - HB3 ARG 95 - HE3 LYS 94 lone 1 68 - 1 - HB VAL 29 - HE2 LYS 96 lone 1 65 - 1 - HB VAL 29 - HE3 LYS 96 lone 1 65 - 1 - HB3 ARG 95 - HE3 LYS 65 lone 1 63 - 1 - HB3 ARG 95 - HE2 LYS 65 lone 1 63 - 1 - HB VAL 22 - HE2 LYS 44 lone 0 84 - 1 - HB VAL 22 - HE3 LYS 44 lone 0 84 - 1 - HB3 GLU 103 - HE3 LYS 65 lone 1 39 - 1 - HB3 GLU 103 - HE2 LYS 65 lone 1 39 - 1 - HB VAL 29 - HE3 LYS 44 lone 0 65 - 1 - HB VAL 29 - HE2 LYS 44 lone 0 65 - 1 - HB2 LYS 40 - HE3 LYS 94 lone 0 35 - 1 - HB3 GLU 52 - HE2 LYS 44 lone 0 61 - 1 - HB3 GLU 52 - HE3 LYS 44 lone 0 61 - 1 - HB3 GLU 52 - HE2 LYS 96 lone 0 61 - 1 - HB3 GLU 52 - HE3 LYS 96 lone 0 61 - 1 - HB VAL 22 - HE3 LYS 94 lone 0 50 - 1 - HB3 GLU 103 - HE3 LYS 94 lone 0 43 - 1 - HB3 GLU 128 - HE3 LYS 94 lone 0 40 - 1 - HB3 GLU 52 - HE3 LYS 94 lone 0 35 - 1 - HB VAL 22 - HE2 LYS 65 lone 0 46 - 1 - HB VAL 22 - HE3 LYS 65 lone 0 46 - 1 - HB VAL 29 - HE3 LYS 65 lone 0 34 - 1 - HB VAL 29 - HE2 LYS 65 lone 0 34 - 1 - HB3 GLU 128 - HE3 LYS 65 lone 0 36 - 1 - HB3 GLU 128 - HE2 LYS 65 lone 0 36 - 1 - HB3 GLU 52 - HE2 LYS 65 lone 0 31 - 1 - HB3 GLU 52 - HE3 LYS 65 lone 0 31 - 1 - Peak 6155 from cnoeabs.peaks (1.44, 2.93, 41.78 ppm; 3.18 A): 8 out of 112 assignments used, quality = 1.00: HG2 LYS 96 + HE2 LYS 96 OK 89 100 - 89 - 3.8=59, 6107/3.0=6...(43) * HG2 LYS 96 + HE3 LYS 96 OK 89 100 - 89 - 3.8=59, 6107/3.0=6...(43) HG3 LYS 44 + HE3 LYS 44 OK 88 100 - 88 - 3.7=61, 3955/3.0=6...(34) HG3 LYS 44 + HE2 LYS 44 OK 88 100 - 88 - 3.7=61, 3955/3.0=6...(34) HG2 LYS 96 + HE2 LYS 44 OK 56 100 - 56 - 6110=4, 2.9/6100=4...(27) HG2 LYS 96 + HE3 LYS 44 OK 56 100 - 56 - 6110=4, 2.9/6100=4...(27) HG3 LYS 44 + HE2 LYS 96 OK 45 100 - 46 - 3949=3, 1.8/3938=3...(21) HG3 LYS 44 + HE3 LYS 96 OK 45 100 - 46 - 3948=3, 1.8/3938=3...(21) HG2 LYS 96 - HE3 LYS 65 poor 7 63 - 11 - HG2 LYS 96 - HE2 LYS 65 poor 7 63 - 11 - HG12 ILE 56 - HE3 LYS 94 poor 6 50 - 12 - ~9551=5, 2.1/9543=2...(4) HG2 LYS 39 - HE3 LYS 44 lone 4 70 - 6 - HG2 LYS 39 - HE2 LYS 44 lone 4 70 - 6 - HG2 LYS 39 - HE3 LYS 96 lone 3 70 - 4 - HG2 LYS 39 - HE2 LYS 96 lone 3 70 - 4 - HG2 LYS 96 - HE3 LYS 94 lone 2 68 - 2 - HG3 LYS 44 - HE3 LYS 65 lone 2 62 - 2 - HG3 LYS 44 - HE2 LYS 65 lone 2 62 - 2 - HG3 LYS 44 - HE3 LYS 94 lone 1 68 - 2 - HG12 ILE 56 - HE2 LYS 96 lone 1 84 - 1 - HG12 ILE 56 - HE3 LYS 96 lone 1 84 - 1 - HB2 LEU 4 - HE3 LYS 96 lone 1 100 - 1 - HB3 LEU 4 - HE2 LYS 96 lone 1 100 - 1 - HB3 LEU 4 - HE3 LYS 96 lone 1 100 - 1 - HB2 LEU 4 - HE2 LYS 96 lone 1 100 - 1 - HG LEU 80 - HE3 LYS 94 lone 1 68 - 1 - HG LEU 4 - HE3 LYS 96 lone 1 90 - 1 - HG LEU 4 - HE2 LYS 96 lone 1 90 - 1 - HG12 ILE 56 - HE2 LYS 44 lone 1 84 - 1 - HG12 ILE 56 - HE3 LYS 44 lone 1 84 - 1 - HG2 LYS 49 - HE3 LYS 65 lone 1 34 - 2 - HG2 LYS 49 - HE2 LYS 65 lone 1 34 - 2 - HG3 LYS 49 - HE2 LYS 65 lone 1 34 - 2 - HG3 LYS 49 - HE3 LYS 65 lone 1 34 - 2 - HG3 LYS 17 - HE2 LYS 96 lone 1 90 - 1 - HG3 LYS 17 - HE3 LYS 96 lone 1 90 - 1 - HG3 LYS 17 - HE3 LYS 44 lone 1 90 - 1 - HG3 LYS 17 - HE2 LYS 44 lone 1 90 - 1 - HG LEU 80 - HE2 LYS 96 lone 1 100 - 1 - HG LEU 80 - HE3 LYS 96 lone 1 100 - 1 - HB3 LEU 4 - HE3 LYS 44 lone 1 100 - 1 - HB3 LEU 4 - HE2 LYS 44 lone 1 100 - 1 - HB2 LEU 4 - HE2 LYS 44 lone 1 100 - 1 - HB2 LEU 4 - HE3 LYS 44 lone 1 100 - 1 - HB3 LEU 63 - HE2 LYS 44 lone 1 81 - 1 - HB3 LEU 63 - HE3 LYS 44 lone 1 81 - 1 - HG3 ARG 30 - HE3 LYS 96 lone 0 87 - 1 - HG3 ARG 30 - HE2 LYS 96 lone 0 87 - 1 - HG3 ARG 30 - HE2 LYS 44 lone 0 87 - 1 - HG3 ARG 30 - HE3 LYS 44 lone 0 87 - 1 - HB3 LEU 63 - HE2 LYS 96 lone 0 81 - 1 - HB3 LEU 63 - HE3 LYS 96 lone 0 81 - 1 - HG LEU 80 - HE2 LYS 44 lone 0 100 - 0 - HG LEU 80 - HE3 LYS 44 lone 0 100 - 0 - HG LEU 4 - HE2 LYS 44 lone 0 90 - 0 - HG LEU 4 - HE3 LYS 44 lone 0 90 - 0 - HB3 LEU 6 - HE3 LYS 96 lone 0 65 - 1 - HB3 LEU 6 - HE2 LYS 96 lone 0 65 - 1 - HB3 LYS 61 - HE3 LYS 44 lone 0 96 - 0 - HB3 LYS 61 - HE2 LYS 44 lone 0 96 - 0 - HB3 LYS 61 - HE3 LYS 96 lone 0 96 - 0 - HB3 LYS 61 - HE2 LYS 96 lone 0 96 - 0 - HG LEU 80 - HE2 LYS 65 lone 0 63 - 1 - HG LEU 80 - HE3 LYS 65 lone 0 63 - 1 - HG2 LYS 49 - HE3 LYS 96 lone 0 65 - 0 - HG2 LYS 49 - HE2 LYS 96 lone 0 65 - 0 - HG3 LYS 49 - HE3 LYS 96 lone 0 65 - 0 - HG3 LYS 49 - HE2 LYS 96 lone 0 65 - 0 - HG12 ILE 56 - HE3 LYS 65 lone 0 46 - 1 - HG12 ILE 56 - HE2 LYS 65 lone 0 46 - 1 - HG3 LYS 49 - HE3 LYS 94 lone 0 37 - 1 - HG2 LYS 49 - HE3 LYS 94 lone 0 37 - 1 - HG2 LYS 39 - HE3 LYS 94 lone 0 40 - 1 - HG3 LYS 17 - HE3 LYS 94 lone 0 55 - 1 - HG2 LYS 49 - HE3 LYS 44 lone 0 65 - 0 - HG2 LYS 49 - HE2 LYS 44 lone 0 65 - 0 - HG3 LYS 49 - HE3 LYS 44 lone 0 65 - 0 - HG3 LYS 49 - HE2 LYS 44 lone 0 65 - 0 - HG2 LYS 39 - HE2 LYS 65 lone 0 36 - 1 - HG2 LYS 39 - HE3 LYS 65 lone 0 36 - 1 - HB3 LEU 63 - HE2 LYS 65 lone 0 44 - 1 - HB3 LEU 63 - HE3 LYS 65 lone 0 44 - 1 - HB2 LEU 4 - HE3 LYS 94 lone 0 67 - 0 - HB3 LEU 4 - HE3 LYS 94 lone 0 67 - 0 - HG12 ILE 7 - HE3 LYS 96 lone 0 61 - 0 - HG12 ILE 7 - HE2 LYS 96 lone 0 61 - 0 - HG3 ARG 30 - HE2 LYS 65 lone 0 48 - 0 - HG3 ARG 30 - HE3 LYS 65 lone 0 48 - 0 - HG3 ARG 30 - HE3 LYS 94 lone 0 53 - 0 - HG12 ILE 7 - HE2 LYS 44 lone 0 61 - 0 - HG12 ILE 7 - HE3 LYS 44 lone 0 61 - 0 - HG3 LYS 17 - HE3 LYS 65 lone 0 50 - 0 - HG3 LYS 17 - HE2 LYS 65 lone 0 50 - 0 - HB2 LEU 4 - HE3 LYS 65 lone 0 62 - 0 - HB3 LEU 4 - HE2 LYS 65 lone 0 62 - 0 - HB2 LEU 4 - HE2 LYS 65 lone 0 62 - 0 - HB3 LEU 4 - HE3 LYS 65 lone 0 62 - 0 - HB3 LEU 6 - HE3 LYS 44 lone 0 65 - 0 - HB3 LEU 6 - HE2 LYS 44 lone 0 65 - 0 - HG LEU 4 - HE3 LYS 94 lone 0 55 - 0 - HB3 LYS 61 - HE3 LYS 94 lone 0 61 - 0 - HG LEU 4 - HE3 LYS 65 lone 0 50 - 0 - HG LEU 4 - HE2 LYS 65 lone 0 50 - 0 - HB3 LYS 61 - HE2 LYS 65 lone 0 56 - 0 - HB3 LYS 61 - HE3 LYS 65 lone 0 56 - 0 - HB3 LEU 63 - HE3 LYS 94 lone 0 48 - 0 - HB3 LEU 6 - HE2 LYS 65 lone 0 34 - 0 - HB3 LEU 6 - HE3 LYS 65 lone 0 34 - 0 - HG12 ILE 7 - HE3 LYS 94 lone 0 35 - 0 - HB3 LEU 6 - HE3 LYS 94 lone 0 37 - 0 - HG12 ILE 7 - HE3 LYS 65 lone 0 31 - 0 - HG12 ILE 7 - HE2 LYS 65 lone 0 31 - 0 - Peak 6156 from cnoeabs.peaks (1.57, 2.93, 41.78 ppm; 2.98 A): 6 out of 84 assignments used, quality = 1.00: * HG3 LYS 96 + HE3 LYS 96 OK 83 100 - 83 - 3.8=49, 6117/3.0=6...(38) HG3 LYS 96 + HE2 LYS 96 OK 83 100 - 83 - 3.8=49, 6117/3.0=6...(38) HG2 LYS 44 + HE3 LYS 44 OK 70 87 - 81 - 3.7=50, 3954/3.0=5...(32) HG2 LYS 44 + HE2 LYS 44 OK 70 87 - 81 - 3.7=50, 3954/3.0=5...(32) HG3 LYS 96 + HE2 LYS 44 OK 50 100 - 51 - 6119=3, 2.9/6100=3...(26) HG3 LYS 96 + HE3 LYS 44 OK 50 100 - 51 - 6119=3, 2.9/6100=3...(26) HG2 LYS 44 - HE2 LYS 96 OK 34 87 - 39 - 1.8/3985=2, 3939=2...(18) HG2 LYS 44 - HE3 LYS 96 OK 34 87 - 39 - 1.8/3985=2, 3938=2...(18) HG2 LYS 115 - HE3 LYS 65 OK 13 54 - 24 - ~6784=2, ~6774=2...(6) HG2 LYS 115 - HE2 LYS 65 OK 13 54 - 24 - ~6784=2, ~6774=2...(6) HG2 LYS 123 - HE2 LYS 44 lone 7 99 - 8 - HG2 LYS 123 - HE3 LYS 44 lone 7 99 - 8 - HG3 LYS 96 - HE3 LYS 65 lone 6 63 - 9 - HG3 LYS 96 - HE2 LYS 65 lone 6 63 - 9 - HG2 LYS 123 - HE3 LYS 96 lone 3 99 - 3 - HG2 LYS 123 - HE2 LYS 96 lone 3 99 - 3 - HB3 LEU 70 - HE3 LYS 94 lone 2 68 - 3 - HG3 LYS 96 - HE3 LYS 94 lone 2 68 - 2 - HG2 LYS 123 - HE3 LYS 65 lone 2 60 - 2 - HG2 LYS 123 - HE2 LYS 65 lone 2 60 - 2 - HG2 LYS 123 - HE3 LYS 94 lone 1 65 - 2 - HG2 LYS 44 - HE3 LYS 65 lone 1 48 - 2 - HG2 LYS 44 - HE2 LYS 65 lone 1 48 - 2 - HG2 LYS 115 - HE3 LYS 94 lone 1 59 - 2 - HB3 LEU 70 - HE3 LYS 96 lone 1 100 - 1 - HB3 LEU 70 - HE2 LYS 96 lone 1 100 - 1 - HD3 LYS 106 - HE3 LYS 96 lone 1 96 - 1 - HD3 LYS 106 - HE2 LYS 96 lone 1 96 - 1 - HG2 LYS 115 - HE3 LYS 96 lone 1 94 - 1 - HG2 LYS 115 - HE2 LYS 96 lone 1 94 - 1 - HD2 LYS 106 - HE3 LYS 96 lone 1 94 - 1 - HD2 LYS 106 - HE2 LYS 96 lone 1 94 - 1 - HG2 LYS 44 - HE3 LYS 94 lone 1 53 - 2 - HB3 LEU 70 - HE2 LYS 44 lone 1 100 - 1 - HB3 LEU 70 - HE3 LYS 44 lone 1 100 - 1 - HG LEU 55 - HE3 LYS 94 lone 1 66 - 1 - HB3 LEU 70 - HE2 LYS 65 lone 1 63 - 1 - HB3 LEU 70 - HE3 LYS 65 lone 1 63 - 1 - HD3 LYS 106 - HE2 LYS 44 lone 1 96 - 1 - HD3 LYS 106 - HE3 LYS 44 lone 1 96 - 1 - HD2 LYS 106 - HE2 LYS 44 lone 1 94 - 1 - HD2 LYS 106 - HE3 LYS 44 lone 1 94 - 1 - HG2 LYS 115 - HE3 LYS 44 lone 1 94 - 1 - HG2 LYS 115 - HE2 LYS 44 lone 1 94 - 1 - HG LEU 55 - HE2 LYS 96 lone 0 99 - 0 - HG LEU 55 - HE3 LYS 96 lone 0 99 - 0 - HB VAL 78 - HE2 LYS 96 lone 0 84 - 1 - HB VAL 78 - HE3 LYS 96 lone 0 84 - 1 - HG12 ILE 116 - HE2 LYS 65 lone 0 44 - 1 - HG12 ILE 116 - HE3 LYS 65 lone 0 44 - 1 - HG LEU 68 - HE3 LYS 44 lone 0 65 - 1 - HG LEU 68 - HE2 LYS 44 lone 0 65 - 1 - HG LEU 55 - HE3 LYS 44 lone 0 99 - 0 - HG LEU 55 - HE2 LYS 44 lone 0 99 - 0 - HG LEU 55 - HE3 LYS 65 lone 0 61 - 1 - HG LEU 55 - HE2 LYS 65 lone 0 61 - 1 - HG LEU 68 - HE2 LYS 96 lone 0 65 - 0 - HG LEU 68 - HE3 LYS 96 lone 0 65 - 0 - HG12 ILE 3 - HE2 LYS 96 lone 0 94 - 0 - HG12 ILE 3 - HE3 LYS 96 lone 0 94 - 0 - HD3 LYS 106 - HE3 LYS 94 lone 0 61 - 0 - HG LEU 68 - HE3 LYS 65 lone 0 34 - 1 - HG LEU 68 - HE2 LYS 65 lone 0 34 - 1 - HG12 ILE 116 - HE2 LYS 44 lone 0 81 - 0 - HG12 ILE 116 - HE3 LYS 44 lone 0 81 - 0 - HD2 LYS 106 - HE3 LYS 94 lone 0 59 - 0 - HG12 ILE 116 - HE2 LYS 96 lone 0 81 - 0 - HG12 ILE 116 - HE3 LYS 96 lone 0 81 - 0 - HG12 ILE 3 - HE3 LYS 44 lone 0 94 - 0 - HG12 ILE 3 - HE2 LYS 44 lone 0 94 - 0 - HB VAL 78 - HE3 LYS 44 lone 0 84 - 0 - HB VAL 78 - HE2 LYS 44 lone 0 84 - 0 - HD3 LYS 106 - HE2 LYS 65 lone 0 56 - 0 - HD3 LYS 106 - HE3 LYS 65 lone 0 56 - 0 - HD2 LYS 106 - HE3 LYS 65 lone 0 54 - 0 - HD2 LYS 106 - HE2 LYS 65 lone 0 54 - 0 - HG12 ILE 3 - HE3 LYS 65 lone 0 54 - 0 - HG12 ILE 3 - HE2 LYS 65 lone 0 54 - 0 - HG12 ILE 116 - HE3 LYS 94 lone 0 48 - 0 - HG12 ILE 3 - HE3 LYS 94 lone 0 59 - 0 - HG LEU 68 - HE3 LYS 94 lone 0 37 - 0 - HB VAL 78 - HE3 LYS 94 lone 0 50 - 0 - HB VAL 78 - HE3 LYS 65 lone 0 46 - 0 - HB VAL 78 - HE2 LYS 65 lone 0 46 - 0 - Peak 6157 from cnoeabs.peaks (1.68, 2.93, 41.78 ppm; 2.50 A): 4 out of 133 assignments used, quality = 1.00: * HD2 LYS 96 + HE3 LYS 96 OK 78 100 - 78 - 3.0=59, 6130/1.8=4...(25) HD2 LYS 96 + HE2 LYS 96 OK 78 100 - 78 - 3.0=59, 6130/1.8=4...(25) HD3 LYS 96 + HE3 LYS 96 OK 78 100 - 78 - 3.0=59, 1.8/6129=4...(25) HD3 LYS 96 + HE2 LYS 96 OK 78 100 - 78 - 3.0=59, 1.8/6129=4...(25) HD2 LYS 96 - HE3 LYS 44 OK 34 100 - 34 - 6130=2, 3.4/6099=2...(9) HD2 LYS 96 - HE2 LYS 44 OK 34 100 - 34 - 6130=2, 3.4/6099=2...(9) HD3 LYS 96 - HE3 LYS 44 OK 34 100 - 34 - 6129=2, 3.4/6099=2...(9) HD3 LYS 96 - HE2 LYS 44 OK 34 100 - 34 - 6129=2, 3.4/6099=2...(9) HD3 LYS 73 - HE3 LYS 96 lone 5 100 - 5 - HD3 LYS 73 - HE2 LYS 96 lone 5 100 - 5 - HD2 LYS 73 - HE3 LYS 96 lone 5 99 - 5 - HD2 LYS 73 - HE2 LYS 96 lone 5 99 - 5 - HD3 LYS 20 - HE2 LYS 96 lone 5 98 - 5 - HD3 LYS 20 - HE3 LYS 96 lone 5 98 - 5 - HD2 LYS 20 - HE3 LYS 96 lone 5 97 - 5 - HD2 LYS 20 - HE2 LYS 96 lone 5 97 - 5 - HB ILE 56 - HE3 LYS 94 lone 5 61 - 8 - ~9551=2, 10948/3.0=2 HD2 LYS 43 - HE2 LYS 96 lone 4 100 - 4 - HD2 LYS 43 - HE3 LYS 96 lone 4 100 - 4 - HD3 LYS 43 - HE3 LYS 96 lone 4 100 - 4 - HD3 LYS 43 - HE2 LYS 96 lone 4 100 - 4 - HG3 ARG 95 - HE3 LYS 96 lone 4 99 - 4 - HG3 ARG 95 - HE2 LYS 96 lone 4 99 - 4 - HD2 LYS 96 - HE3 LYS 65 lone 4 63 - 6 - HD2 LYS 96 - HE2 LYS 65 lone 4 63 - 6 - HD3 LYS 96 - HE3 LYS 65 lone 4 62 - 6 - HD3 LYS 96 - HE2 LYS 65 lone 4 62 - 6 - HG3 LYS 123 - HE2 LYS 44 lone 3 65 - 4 - HG3 LYS 123 - HE3 LYS 44 lone 3 65 - 4 - HD2 LYS 43 - HE2 LYS 44 lone 2 100 - 2 - HD2 LYS 43 - HE3 LYS 44 lone 2 100 - 2 - HD3 LYS 43 - HE2 LYS 44 lone 2 100 - 2 - HD3 LYS 43 - HE3 LYS 44 lone 2 100 - 2 - HD3 LYS 73 - HE2 LYS 44 lone 2 100 - 2 - HD3 LYS 73 - HE3 LYS 44 lone 2 100 - 2 - HD2 LYS 73 - HE2 LYS 44 lone 2 99 - 2 - HD2 LYS 73 - HE3 LYS 44 lone 2 99 - 2 - HD3 LYS 40 - HE3 LYS 96 lone 2 100 - 2 - HD3 LYS 40 - HE2 LYS 96 lone 2 100 - 2 - HD2 LYS 40 - HE3 LYS 96 lone 2 100 - 2 - HD2 LYS 40 - HE2 LYS 96 lone 2 100 - 2 - HG3 LYS 39 - HE3 LYS 44 lone 2 65 - 3 - HG3 LYS 39 - HE2 LYS 44 lone 2 65 - 3 - HG3 ARG 95 - HE3 LYS 44 lone 1 99 - 1 - HG3 ARG 95 - HE2 LYS 44 lone 1 99 - 1 - HG3 LYS 39 - HE2 LYS 96 lone 1 65 - 2 - HG3 LYS 39 - HE3 LYS 96 lone 1 65 - 2 - HD3 LYS 20 - HE2 LYS 44 lone 1 98 - 1 - HD3 LYS 20 - HE3 LYS 44 lone 1 98 - 1 - HD2 LYS 20 - HE3 LYS 44 lone 1 97 - 1 - HD2 LYS 20 - HE2 LYS 44 lone 1 97 - 1 - HG3 LYS 123 - HE3 LYS 96 lone 1 65 - 1 - HG3 LYS 123 - HE2 LYS 96 lone 1 65 - 1 - HD2 LYS 96 - HE3 LYS 94 lone 1 68 - 1 - HD3 LYS 96 - HE3 LYS 94 lone 1 68 - 1 - HD2 LYS 16 - HE2 LYS 65 lone 1 60 - 1 - HD2 LYS 16 - HE3 LYS 65 lone 1 60 - 1 - HD2 LYS 16 - HE3 LYS 96 lone 1 99 - 1 - HD2 LYS 16 - HE2 LYS 96 lone 1 99 - 1 - HB ILE 56 - HE2 LYS 96 lone 1 96 - 1 - HB ILE 56 - HE3 LYS 96 lone 1 96 - 1 - HD3 LYS 16 - HE2 LYS 65 lone 1 56 - 1 - HD3 LYS 16 - HE3 LYS 65 lone 1 56 - 1 - HD3 LYS 16 - HE2 LYS 96 lone 1 96 - 1 - HD3 LYS 16 - HE3 LYS 96 lone 1 96 - 1 - HB ILE 54 - HE2 LYS 96 lone 1 100 - 1 - HB ILE 54 - HE3 LYS 96 lone 1 100 - 1 - HD3 LYS 40 - HE2 LYS 44 lone 1 100 - 1 - HD3 LYS 40 - HE3 LYS 44 lone 1 100 - 1 - HD2 LYS 40 - HE3 LYS 44 lone 1 100 - 1 - HD2 LYS 40 - HE2 LYS 44 lone 1 100 - 1 - HD2 LYS 16 - HE3 LYS 44 lone 0 99 - 0 - HD2 LYS 16 - HE2 LYS 44 lone 0 99 - 0 - HD3 LYS 16 - HE2 LYS 44 lone 0 96 - 0 - HD3 LYS 16 - HE3 LYS 44 lone 0 96 - 0 - HB ILE 54 - HE3 LYS 44 lone 0 100 - 0 - HB ILE 54 - HE2 LYS 44 lone 0 100 - 0 - HD2 LYS 17 - HE2 LYS 44 lone 0 100 - 0 - HD2 LYS 17 - HE3 LYS 44 lone 0 100 - 0 - HG12 ILE 71 - HE2 LYS 96 lone 0 84 - 0 - HG12 ILE 71 - HE3 LYS 96 lone 0 84 - 0 - HD2 LYS 17 - HE2 LYS 96 lone 0 100 - 0 - HD2 LYS 17 - HE3 LYS 96 lone 0 100 - 0 - HB ILE 56 - HE2 LYS 44 lone 0 96 - 0 - HB ILE 56 - HE3 LYS 44 lone 0 96 - 0 - HG3 LYS 123 - HE2 LYS 65 lone 0 34 - 1 - HG3 LYS 123 - HE3 LYS 65 lone 0 34 - 1 - HD2 LYS 43 - HE3 LYS 94 lone 0 68 - 1 - HB ILE 54 - HE3 LYS 65 lone 0 63 - 1 - HB ILE 54 - HE2 LYS 65 lone 0 63 - 1 - HG3 LYS 123 - HE3 LYS 94 lone 0 37 - 1 - HD3 LYS 43 - HE3 LYS 94 lone 0 67 - 1 - HB ILE 54 - HE3 LYS 94 lone 0 68 - 0 - HD3 LYS 40 - HE2 LYS 65 lone 0 63 - 0 - HD3 LYS 40 - HE3 LYS 65 lone 0 63 - 0 - HD2 LYS 40 - HE3 LYS 65 lone 0 63 - 0 - HD2 LYS 40 - HE2 LYS 65 lone 0 63 - 0 - HG12 ILE 71 - HE2 LYS 44 lone 0 84 - 0 - HG12 ILE 71 - HE3 LYS 44 lone 0 84 - 0 - HD2 LYS 17 - HE3 LYS 65 lone 0 63 - 0 - HD2 LYS 17 - HE2 LYS 65 lone 0 63 - 0 - HD3 LYS 20 - HE3 LYS 94 lone 0 64 - 0 - HD3 LYS 40 - HE3 LYS 94 lone 0 68 - 0 - HD2 LYS 20 - HE3 LYS 94 lone 0 63 - 0 - HD2 LYS 40 - HE3 LYS 94 lone 0 68 - 0 - HG3 ARG 95 - HE3 LYS 94 lone 0 65 - 0 - HD2 LYS 17 - HE3 LYS 94 lone 0 68 - 0 - HD2 LYS 43 - HE3 LYS 65 lone 0 62 - 0 - HD2 LYS 43 - HE2 LYS 65 lone 0 62 - 0 - HD3 LYS 43 - HE2 LYS 65 lone 0 62 - 0 - HD3 LYS 43 - HE3 LYS 65 lone 0 62 - 0 - HD3 LYS 20 - HE3 LYS 65 lone 0 59 - 0 - HD3 LYS 20 - HE2 LYS 65 lone 0 59 - 0 - HD2 LYS 20 - HE2 LYS 65 lone 0 58 - 0 - HD2 LYS 20 - HE3 LYS 65 lone 0 58 - 0 - HG3 ARG 95 - HE2 LYS 65 lone 0 60 - 0 - HG3 ARG 95 - HE3 LYS 65 lone 0 60 - 0 - HD3 LYS 73 - HE2 LYS 65 lone 0 62 - 0 - HD3 LYS 73 - HE3 LYS 65 lone 0 62 - 0 - HD2 LYS 16 - HE3 LYS 94 lone 0 65 - 0 - HD2 LYS 73 - HE3 LYS 65 lone 0 61 - 0 - HD2 LYS 73 - HE2 LYS 65 lone 0 61 - 0 - HG3 LYS 39 - HE3 LYS 94 lone 0 37 - 0 - HD3 LYS 73 - HE3 LYS 94 lone 0 67 - 0 - HD2 LYS 73 - HE3 LYS 94 lone 0 66 - 0 - HB ILE 56 - HE2 LYS 65 lone 0 56 - 0 - HB ILE 56 - HE3 LYS 65 lone 0 56 - 0 - HD3 LYS 16 - HE3 LYS 94 lone 0 61 - 0 - HG12 ILE 71 - HE3 LYS 65 lone 0 46 - 0 - HG12 ILE 71 - HE2 LYS 65 lone 0 46 - 0 - HG3 LYS 39 - HE2 LYS 65 lone 0 34 - 0 - HG3 LYS 39 - HE3 LYS 65 lone 0 34 - 0 - HG12 ILE 71 - HE3 LYS 94 lone 0 50 - 0 - Peak 6158 from cnoeabs.peaks (1.68, 2.93, 41.78 ppm; 2.50 A): 6 out of 140 assignments used, quality = 1.00: HD3 LYS 96 + HE2 LYS 96 OK 78 100 - 78 - 3.0=59, 1.8/6129=4...(25) * HD3 LYS 96 + HE3 LYS 96 OK 78 100 - 78 - 3.0=59, 1.8/6129=4...(25) HD2 LYS 96 + HE3 LYS 96 OK 78 100 - 78 - 3.0=59, 6130/1.8=4...(25) HD2 LYS 96 + HE2 LYS 96 OK 78 100 - 78 - 3.0=59, 6130/1.8=4...(25) HD2 LYS 44 + HE2 LYS 44 OK 49 65 - 75 - 3.0=60, 1.8/3958=5...(22) HD2 LYS 44 + HE3 LYS 44 OK 49 65 - 75 - 3.0=60, 1.8/3958=5...(22) HD3 LYS 96 - HE3 LYS 44 OK 34 100 - 34 - 6130=2, 3.4/6099=2...(9) HD3 LYS 96 - HE2 LYS 44 OK 34 100 - 34 - 6130=2, 3.4/6099=2...(9) HD2 LYS 96 - HE3 LYS 44 OK 34 100 - 34 - 6129=2, 3.4/6099=2...(9) HD2 LYS 96 - HE2 LYS 44 OK 34 100 - 34 - 6130=2, 3.4/6099=2...(9) HD2 LYS 44 - HE3 LYS 96 OK 15 65 - 23 - 1.8/3959=2, 3958=1...(4) HD2 LYS 44 - HE2 LYS 96 OK 15 65 - 23 - 1.8/3959=2, 3958=1...(4) HD3 LYS 73 - HE2 LYS 96 lone 5 100 - 5 - HD3 LYS 73 - HE3 LYS 96 lone 5 100 - 5 - HD2 LYS 73 - HE3 LYS 96 lone 5 100 - 5 - HD2 LYS 73 - HE2 LYS 96 lone 5 100 - 5 - HB ILE 56 - HE3 LYS 94 lone 5 64 - 8 - ~9551=2, 10948/3.0=2 HD3 LYS 20 - HE2 LYS 96 lone 5 99 - 5 - HD3 LYS 20 - HE3 LYS 96 lone 5 99 - 5 - HD2 LYS 20 - HE2 LYS 96 lone 5 99 - 5 - HD2 LYS 20 - HE3 LYS 96 lone 5 99 - 5 - HD2 LYS 43 - HE3 LYS 96 lone 4 99 - 4 - HD2 LYS 43 - HE2 LYS 96 lone 4 99 - 4 - HD3 LYS 43 - HE3 LYS 96 lone 4 100 - 4 - HD3 LYS 43 - HE2 LYS 96 lone 4 100 - 4 - HG3 ARG 95 - HE3 LYS 96 lone 4 97 - 4 - HG3 ARG 95 - HE2 LYS 96 lone 4 97 - 4 - HD3 LYS 96 - HE3 LYS 65 lone 4 63 - 6 - HD3 LYS 96 - HE2 LYS 65 lone 4 63 - 6 - HD2 LYS 96 - HE3 LYS 65 lone 4 62 - 6 - HD2 LYS 96 - HE2 LYS 65 lone 4 62 - 6 - HG3 LYS 123 - HE3 LYS 44 lone 3 73 - 4 - HG3 LYS 123 - HE2 LYS 44 lone 3 73 - 4 - HD2 LYS 43 - HE2 LYS 44 lone 2 99 - 2 - HD2 LYS 43 - HE3 LYS 44 lone 2 99 - 2 - HD3 LYS 43 - HE2 LYS 44 lone 2 100 - 2 - HD3 LYS 43 - HE3 LYS 44 lone 2 100 - 2 - HD3 LYS 73 - HE2 LYS 44 lone 2 100 - 2 - HD3 LYS 73 - HE3 LYS 44 lone 2 100 - 2 - HD2 LYS 73 - HE2 LYS 44 lone 2 100 - 2 - HD2 LYS 73 - HE3 LYS 44 lone 2 100 - 2 - HG3 LYS 39 - HE2 LYS 44 lone 2 73 - 3 - HG3 LYS 39 - HE3 LYS 44 lone 2 73 - 3 - HD3 LYS 40 - HE2 LYS 96 lone 2 100 - 2 - HD3 LYS 40 - HE3 LYS 96 lone 2 100 - 2 - HD2 LYS 40 - HE2 LYS 96 lone 2 100 - 2 - HD2 LYS 40 - HE3 LYS 96 lone 2 100 - 2 - HG3 ARG 95 - HE3 LYS 44 lone 1 97 - 1 - HG3 ARG 95 - HE2 LYS 44 lone 1 97 - 1 - HG3 LYS 39 - HE3 LYS 96 lone 1 73 - 2 - HG3 LYS 39 - HE2 LYS 96 lone 1 73 - 2 - HG3 LYS 123 - HE3 LYS 96 lone 1 73 - 1 - HG3 LYS 123 - HE2 LYS 96 lone 1 73 - 1 - HD3 LYS 20 - HE2 LYS 44 lone 1 99 - 1 - HD3 LYS 20 - HE3 LYS 44 lone 1 99 - 1 - HD2 LYS 20 - HE2 LYS 44 lone 1 99 - 1 - HD2 LYS 20 - HE3 LYS 44 lone 1 99 - 1 - HD3 LYS 96 - HE3 LYS 94 lone 1 68 - 1 - HD2 LYS 96 - HE3 LYS 94 lone 1 68 - 1 - HD2 LYS 16 - HE2 LYS 65 lone 1 62 - 1 - HD2 LYS 16 - HE3 LYS 65 lone 1 62 - 1 - HD2 LYS 16 - HE3 LYS 96 lone 1 100 - 1 - HD2 LYS 16 - HE2 LYS 96 lone 1 100 - 1 - HB ILE 56 - HE3 LYS 96 lone 1 98 - 1 - HB ILE 56 - HE2 LYS 96 lone 1 98 - 1 - HD3 LYS 16 - HE2 LYS 65 lone 1 59 - 1 - HD3 LYS 16 - HE3 LYS 65 lone 1 59 - 1 - HD3 LYS 16 - HE3 LYS 96 lone 1 98 - 1 - HD3 LYS 16 - HE2 LYS 96 lone 1 98 - 1 - HB ILE 54 - HE2 LYS 96 lone 1 100 - 1 - HB ILE 54 - HE3 LYS 96 lone 1 100 - 1 - HD3 LYS 40 - HE3 LYS 44 lone 1 100 - 1 - HD3 LYS 40 - HE2 LYS 44 lone 1 100 - 1 - HD2 LYS 16 - HE3 LYS 44 lone 1 100 - 0 - HD2 LYS 16 - HE2 LYS 44 lone 1 100 - 0 - HD2 LYS 40 - HE2 LYS 44 lone 1 100 - 1 - HD2 LYS 40 - HE3 LYS 44 lone 1 100 - 1 - HD3 LYS 16 - HE3 LYS 44 lone 0 98 - 0 - HD3 LYS 16 - HE2 LYS 44 lone 0 98 - 0 - HB ILE 54 - HE2 LYS 44 lone 0 100 - 0 - HB ILE 54 - HE3 LYS 44 lone 0 100 - 0 - HG3 LYS 123 - HE3 LYS 65 lone 0 39 - 1 - HG3 LYS 123 - HE2 LYS 65 lone 0 39 - 1 - HG12 ILE 71 - HE2 LYS 96 lone 0 90 - 0 - HG12 ILE 71 - HE3 LYS 96 lone 0 90 - 0 - HG3 LYS 123 - HE3 LYS 94 lone 0 43 - 1 - HD2 LYS 17 - HE3 LYS 44 lone 0 100 - 0 - HD2 LYS 17 - HE2 LYS 44 lone 0 100 - 0 - HD2 LYS 17 - HE3 LYS 96 lone 0 100 - 0 - HD2 LYS 17 - HE2 LYS 96 lone 0 100 - 0 - HB ILE 56 - HE2 LYS 44 lone 0 98 - 0 - HB ILE 56 - HE3 LYS 44 lone 0 98 - 0 - HD2 LYS 44 - HE3 LYS 65 lone 0 34 - 1 - HD2 LYS 44 - HE2 LYS 65 lone 0 34 - 1 - HD2 LYS 43 - HE3 LYS 94 lone 0 66 - 1 - HD3 LYS 43 - HE3 LYS 94 lone 0 68 - 1 - HB ILE 54 - HE2 LYS 65 lone 0 63 - 1 - HB ILE 54 - HE3 LYS 65 lone 0 63 - 1 - HB ILE 54 - HE3 LYS 94 lone 0 68 - 0 - HD2 LYS 40 - HE2 LYS 65 lone 0 63 - 0 - HD2 LYS 40 - HE3 LYS 65 lone 0 63 - 0 - HD3 LYS 40 - HE2 LYS 65 lone 0 62 - 0 - HD3 LYS 40 - HE3 LYS 65 lone 0 62 - 0 - HG12 ILE 71 - HE2 LYS 44 lone 0 90 - 0 - HG12 ILE 71 - HE3 LYS 44 lone 0 90 - 0 - HD2 LYS 44 - HE3 LYS 94 lone 0 37 - 1 - HD2 LYS 17 - HE2 LYS 65 lone 0 62 - 0 - HD2 LYS 17 - HE3 LYS 65 lone 0 62 - 0 - HD3 LYS 20 - HE3 LYS 94 lone 0 66 - 0 - HD2 LYS 20 - HE3 LYS 94 lone 0 65 - 0 - HD2 LYS 40 - HE3 LYS 94 lone 0 68 - 0 - HD3 LYS 40 - HE3 LYS 94 lone 0 68 - 0 - HG3 LYS 39 - HE3 LYS 94 lone 0 43 - 0 - HD3 LYS 20 - HE2 LYS 65 lone 0 61 - 0 - HD3 LYS 20 - HE3 LYS 65 lone 0 61 - 0 - HD2 LYS 20 - HE3 LYS 65 lone 0 60 - 0 - HD2 LYS 20 - HE2 LYS 65 lone 0 60 - 0 - HD2 LYS 17 - HE3 LYS 94 lone 0 68 - 0 - HD3 LYS 43 - HE2 LYS 65 lone 0 63 - 0 - HD3 LYS 43 - HE3 LYS 65 lone 0 63 - 0 - HD2 LYS 43 - HE2 LYS 65 lone 0 61 - 0 - HD2 LYS 43 - HE3 LYS 65 lone 0 61 - 0 - HG3 ARG 95 - HE3 LYS 94 lone 0 63 - 0 - HD2 LYS 16 - HE3 LYS 94 lone 0 67 - 0 - HD3 LYS 73 - HE2 LYS 65 lone 0 63 - 0 - HD3 LYS 73 - HE3 LYS 65 lone 0 63 - 0 - HD2 LYS 73 - HE3 LYS 65 lone 0 62 - 0 - HD2 LYS 73 - HE2 LYS 65 lone 0 62 - 0 - HG3 ARG 95 - HE3 LYS 65 lone 0 58 - 0 - HG3 ARG 95 - HE2 LYS 65 lone 0 58 - 0 - HD3 LYS 16 - HE3 LYS 94 lone 0 64 - 0 - HB ILE 56 - HE2 LYS 65 lone 0 59 - 0 - HB ILE 56 - HE3 LYS 65 lone 0 59 - 0 - HD3 LYS 73 - HE3 LYS 94 lone 0 68 - 0 - HD2 LYS 73 - HE3 LYS 94 lone 0 68 - 0 - HG12 ILE 71 - HE2 LYS 65 lone 0 50 - 0 - HG12 ILE 71 - HE3 LYS 65 lone 0 50 - 0 - HG3 LYS 39 - HE2 LYS 65 lone 0 39 - 0 - HG3 LYS 39 - HE3 LYS 65 lone 0 39 - 0 - HG12 ILE 71 - HE3 LYS 94 lone 0 55 - 0 - Peak 6159 from cnoeabs.peaks (2.93, 2.93, 41.78 ppm; diagonal): 5 out of 7 assignments used, quality = 1.00: HE3 LYS 96 + HE3 LYS 96 OK 100 100 - 100 HE2 LYS 96 + HE2 LYS 96 OK 100 100 - 100 HE2 LYS 44 + HE2 LYS 44 OK 100 100 - 100 HE3 LYS 44 + HE3 LYS 44 OK 100 100 - 100 HE3 LYS 94 + HE3 LYS 94 OK 50 50 - 100 HE2 LYS 65 - HE2 LYS 65 OK 44 44 - 100 HE3 LYS 65 - HE3 LYS 65 OK 44 44 - 100 Reference assignment not found: HE2 LYS 96 - HE3 LYS 96 Peak 6160 from cnoeabs.peaks (2.93, 2.93, 41.78 ppm; diagonal): 5 out of 7 assignments used, quality = 1.00: * HE3 LYS 96 + HE3 LYS 96 OK 100 100 - 100 HE2 LYS 96 + HE2 LYS 96 OK 100 100 - 100 HE2 LYS 44 + HE2 LYS 44 OK 100 100 - 100 HE3 LYS 44 + HE3 LYS 44 OK 100 100 - 100 HE3 LYS 94 + HE3 LYS 94 OK 50 50 - 100 HE2 LYS 65 - HE2 LYS 65 OK 44 44 - 100 HE3 LYS 65 - HE3 LYS 65 OK 44 44 - 100 Peak 6161 from cnoeabs.peaks (7.83, 3.94, 62.57 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 97 + HA ILE 97 OK 100 100 - 100 - 3.0=100 Peak 6162 from cnoeabs.peaks (3.94, 3.94, 62.57 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ILE 97 + HA ILE 97 OK 100 100 - 100 HB3 SER 35 + HB3 SER 35 OK 47 47 - 100 Peak 6163 from cnoeabs.peaks (1.81, 3.94, 62.57 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 97 + HA ILE 97 OK 100 100 - 100 - 3.0=100 Peak 6164 from cnoeabs.peaks (0.68, 3.94, 62.57 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 97 + HA ILE 97 OK 100 100 - 100 - 3.2=100 Peak 6165 from cnoeabs.peaks (1.00, 3.94, 62.57 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 97 + HA ILE 97 OK 100 100 - 100 - 4.0=100 Peak 6166 from cnoeabs.peaks (0.93, 3.94, 62.57 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 97 + HA ILE 97 OK 100 100 - 100 - 4.0=100 Peak 6167 from cnoeabs.peaks (0.36, 3.94, 62.57 ppm; 3.82 A): 1 out of 2 assignments used, quality = 0.92: * QD1 ILE 97 + HA ILE 97 OK 92 100 - 92 - 4.2=78, 1651/3.0=19...(11) QD1 ILE 97 - HB3 SER 35 lone 2 59 - 3 - Peak 6168 from cnoeabs.peaks (7.83, 1.81, 37.21 ppm; 3.89 A): 1 out of 5 assignments used, quality = 0.99: * H ILE 97 + HB ILE 97 OK 99 100 - 99 - 3.9=96, 1649/2.9=21...(10) H LYS 39 - HB ILE 97 OK 30 100 - 31 - 1647=9, 1651/3.2=6...(6) H VAL 78 - HB ILE 97 OK 18 100 - 18 - 6196/3.2=7, 6182/2.9=4...(5) H TYR 27 - HB ILE 97 lone 3 81 - 3 - HE21 GLN 62 - HB ILE 97 lone 2 73 - 2 - Peak 6169 from cnoeabs.peaks (3.94, 1.81, 37.21 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 97 + HB ILE 97 OK 100 100 - 100 - 3.0=100 Peak 6170 from cnoeabs.peaks (1.81, 1.81, 37.21 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 97 + HB ILE 97 OK 100 100 - 100 Peak 6171 from cnoeabs.peaks (0.68, 1.81, 37.21 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 97 + HB ILE 97 OK 100 100 - 100 - 2.1=100 Peak 6172 from cnoeabs.peaks (1.00, 1.81, 37.21 ppm; 4.20 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 97 + HB ILE 97 OK 100 100 - 100 - 2.9=100 Peak 6173 from cnoeabs.peaks (0.93, 1.81, 37.21 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 97 + HB ILE 97 OK 100 100 - 100 - 2.9=100 Peak 6174 from cnoeabs.peaks (0.36, 1.81, 37.21 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 97 + HB ILE 97 OK 100 100 - 100 - 3.2=100 Peak 6175 from cnoeabs.peaks (7.83, 0.68, 18.75 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 97 + QG2 ILE 97 OK 100 100 - 100 - 4.0=100 Peak 6176 from cnoeabs.peaks (3.94, 0.68, 18.75 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 97 + QG2 ILE 97 OK 100 100 - 100 - 3.2=100 Peak 6177 from cnoeabs.peaks (1.81, 0.68, 18.75 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 97 + QG2 ILE 97 OK 100 100 - 100 - 2.1=100 Peak 6178 from cnoeabs.peaks (0.68, 0.68, 18.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 97 + QG2 ILE 97 OK 100 100 - 100 Peak 6179 from cnoeabs.peaks (1.00, 0.68, 18.75 ppm; 4.20 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 97 + QG2 ILE 97 OK 100 100 - 100 - 3.2=100 Peak 6180 from cnoeabs.peaks (0.93, 0.68, 18.75 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 97 + QG2 ILE 97 OK 100 100 - 100 - 3.2=100 Peak 6181 from cnoeabs.peaks (0.36, 0.68, 18.75 ppm; 3.10 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 97 + QG2 ILE 97 OK 100 100 - 100 - 3.0=100 Peak 6182 from cnoeabs.peaks (7.83, 1.00, 27.27 ppm; 4.24 A): 2 out of 5 assignments used, quality = 0.96: * H ILE 97 + HG12 ILE 97 OK 94 100 - 94 - 4.8=71, 1651/2.1=26...(9) H LYS 39 + HG12 ILE 97 OK 34 100 - 34 - 1649=11, 1651/2.1=9...(6) H VAL 78 - HG12 ILE 97 OK 23 100 - 23 - 6196/2.1=10, 6189/1.8=5...(4) H TYR 27 - HG12 ILE 97 lone 2 81 - 3 - HE21 GLN 62 - HG12 ILE 97 lone 2 73 - 3 - Peak 6183 from cnoeabs.peaks (3.94, 1.00, 27.27 ppm; 5.16 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 97 + HG12 ILE 97 OK 100 100 - 100 - 4.0=100 Peak 6184 from cnoeabs.peaks (1.81, 1.00, 27.27 ppm; 4.21 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 97 + HG12 ILE 97 OK 100 100 - 100 - 2.9=100 Peak 6185 from cnoeabs.peaks (0.68, 1.00, 27.27 ppm; 3.83 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 97 + HG12 ILE 97 OK 100 100 - 100 - 3.2=100 Peak 6186 from cnoeabs.peaks (1.00, 1.00, 27.27 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 97 + HG12 ILE 97 OK 100 100 - 100 Peak 6187 from cnoeabs.peaks (0.93, 1.00, 27.27 ppm; 3.02 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 97 + HG12 ILE 97 OK 100 100 - 100 - 1.8=100 Peak 6188 from cnoeabs.peaks (0.36, 1.00, 27.27 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 97 + HG12 ILE 97 OK 100 100 - 100 - 2.1=100 Peak 6189 from cnoeabs.peaks (7.83, 0.93, 27.27 ppm; 4.01 A): 3 out of 10 assignments used, quality = 0.94: * H ILE 97 + HG13 ILE 97 OK 90 100 - 90 - 4.8=60, 1649/1.8=28...(8) H LYS 39 + HG13 ILE 97 OK 29 100 - 29 - 1649/1.8=8, 1651/2.1=8...(6) H VAL 78 + HG13 ILE 97 OK 19 100 - 20 - 6196/2.1=9, 6182/1.8=5 H TYR 27 - HG13 ILE 97 lone 3 81 - 3 - HE21 GLN 62 - HG13 ILE 97 lone 2 73 - 2 - H TYR 27 - HG13 ILE 54 lone 1 35 - 4 - 4.4/4585=4 H ILE 97 - HG13 ILE 54 lone 1 52 - 1 - H LYS 39 - HG13 ILE 54 lone 0 51 - 1 - H VAL 78 - HG13 ILE 54 lone 0 52 - 1 - HE21 GLN 62 - HG13 ILE 54 lone 0 31 - 0 - Peak 6190 from cnoeabs.peaks (3.94, 0.93, 27.27 ppm; 4.68 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 97 + HG13 ILE 97 OK 100 100 - 100 - 4.0=100 Peak 6191 from cnoeabs.peaks (1.81, 0.93, 27.27 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 97 + HG13 ILE 97 OK 100 100 - 100 - 2.9=100 Peak 6192 from cnoeabs.peaks (0.68, 0.93, 27.27 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 97 + HG13 ILE 97 OK 100 100 - 100 - 3.2=100 Peak 6193 from cnoeabs.peaks (1.00, 0.93, 27.27 ppm; 3.01 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 97 + HG13 ILE 97 OK 100 100 - 100 - 1.8=100 Peak 6194 from cnoeabs.peaks (0.93, 0.93, 27.27 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HG13 ILE 97 + HG13 ILE 97 OK 100 100 - 100 HG13 ILE 54 - HG13 ILE 54 OK 35 35 - 100 Peak 6195 from cnoeabs.peaks (0.36, 0.93, 27.27 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 97 + HG13 ILE 97 OK 100 100 - 100 - 2.1=100 Peak 6196 from cnoeabs.peaks (7.83, 0.36, 11.90 ppm; 4.10 A): 2 out of 5 assignments used, quality = 0.97: * H ILE 97 + QD1 ILE 97 OK 93 100 - 93 - 4.7=66, 3.0/6167=32...(13) H VAL 78 + QD1 ILE 97 OK 49 100 - 49 - 4.0/9859=25, 4.0/9865=12...(7) H LYS 39 - QD1 ILE 97 OK 36 100 - 36 - 1651=11, 1649/2.1=8...(8) H TYR 27 - QD1 ILE 97 lone 3 81 - 3 - HE21 GLN 62 - QD1 ILE 97 lone 2 73 - 3 - Peak 6197 from cnoeabs.peaks (3.94, 0.36, 11.90 ppm; 3.74 A): 1 out of 5 assignments used, quality = 0.89: * HA ILE 97 + QD1 ILE 97 OK 89 100 - 89 - 4.2=73, 3.0/1651=18...(12) HA MET 67 - QD1 ILE 97 lone 8 92 - 9 - ~9707=3, 9783/9776=2, ~9709=2 HB3 SER 35 - QD1 ILE 97 lone 2 90 - 2 - HB2 SER 35 - QD1 ILE 97 lone 1 61 - 2 - HA MET 121 - QD1 ILE 97 lone 1 97 - 1 - Peak 6198 from cnoeabs.peaks (1.81, 0.36, 11.90 ppm; 3.76 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 97 + QD1 ILE 97 OK 100 100 - 100 - 3.2=100 Peak 6199 from cnoeabs.peaks (0.68, 0.36, 11.90 ppm; 3.18 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 97 + QD1 ILE 97 OK 100 100 - 100 - 3.0=100 Peak 6200 from cnoeabs.peaks (1.00, 0.36, 11.90 ppm; 3.44 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 97 + QD1 ILE 97 OK 100 100 - 100 - 2.1=100 Peak 6201 from cnoeabs.peaks (0.93, 0.36, 11.90 ppm; 3.15 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 97 + QD1 ILE 97 OK 100 100 - 100 - 2.1=100 Peak 6202 from cnoeabs.peaks (0.36, 0.36, 11.90 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 97 + QD1 ILE 97 OK 100 100 - 100 Peak 6203 from cnoeabs.peaks (8.67, 4.34, 58.95 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 98 + HA GLU 98 OK 100 100 - 100 - 3.0=100 Peak 6204 from cnoeabs.peaks (4.34, 4.34, 58.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 98 + HA GLU 98 OK 100 100 - 100 Peak 6205 from cnoeabs.peaks (2.18, 4.34, 58.95 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 98 + HA GLU 98 OK 100 100 - 100 - 2.9=100 Peak 6206 from cnoeabs.peaks (2.05, 4.34, 58.95 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 98 + HA GLU 98 OK 100 100 - 100 - 2.9=100 Peak 6207 from cnoeabs.peaks (2.38, 4.34, 58.95 ppm; 3.52 A): 1 out of 6 assignments used, quality = 0.95: * HG2 GLU 98 + HA GLU 98 OK 95 100 - 95 - 4.1=63, 6223/2.9=25...(17) HG2 GLN 25 - HA GLU 98 OK 28 98 - 29 - 1.8/10160=18...(5) HG2 GLU 66 - HA GLU 98 lone 7 81 - 8 - 1656/3.0=2, ~1654=1, 632/3.6=1 HG2 GLU 13 - HA GLU 98 lone 4 73 - 5 - HB3 TYR 27 - HA GLU 98 lone 3 99 - 3 - HG3 MET 67 - HA GLU 98 lone 2 65 - 3 - Peak 6208 from cnoeabs.peaks (2.44, 4.34, 58.95 ppm; 3.98 A): 1 out of 5 assignments used, quality = 0.99: * HG3 GLU 98 + HA GLU 98 OK 99 100 - 99 - 4.1=92, 1.8/6207=30...(17) HG2 GLU 37 - HA GLU 98 OK 13 99 - 13 - 1657/3.0=4, 6228=3...(5) HG2 GLN 100 - HA GLU 98 lone 8 99 - 8 - 1657/3.0=3, 642/10159=2 HG3 GLU 69 - HA GLU 98 lone 2 100 - 2 - HG2 MET 1 - HA GLU 98 lone 1 96 - 1 - Peak 6209 from cnoeabs.peaks (8.67, 2.18, 29.43 ppm; 3.61 A): 3 out of 6 assignments used, quality = 0.94: * H GLU 98 + HB2 GLU 98 OK 92 100 - 92 - 4.0=72, 6215/1.8=25...(12) H VAL 104 + HB2 GLU 98 OK 14 61 - 23 - 3.9/11455=9, 3.9/11404=6...(6) H GLU 98 + HB2 GLN 85 OK 11 91 - 12 - 1654=4, 1655/1.8=2, 5.1/6223=1 H GLU 98 - HB3 GLU 37 poor 7 58 - 12 - 1654=4, 1657/3.0=3...(5) H VAL 104 - HB2 GLN 85 lone 4 50 - 7 - 3.9/11455=4, 3.9/11404=3 H VAL 104 - HB3 GLU 37 lone 0 29 - 2 - Peak 6210 from cnoeabs.peaks (4.34, 2.18, 29.43 ppm; 3.09 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 98 + HB2 GLU 98 OK 100 100 - 100 - 2.9=100 HA GLN 85 + HB2 GLN 85 OK 90 90 - 100 - 3.0=100 Peak 6211 from cnoeabs.peaks (2.18, 2.18, 29.43 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB2 GLU 98 + HB2 GLU 98 OK 100 100 - 100 HB2 GLN 85 + HB2 GLN 85 OK 87 87 - 100 HB3 GLU 37 + HB3 GLU 37 OK 56 56 - 100 Peak 6212 from cnoeabs.peaks (2.05, 2.18, 29.43 ppm; 2.40 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 98 + HB2 GLU 98 OK 100 100 - 100 - 1.8=100 HB3 GLN 85 + HB2 GLN 85 OK 71 71 - 100 - 1.8=100 Peak 6213 from cnoeabs.peaks (2.38, 2.18, 29.43 ppm; 3.03 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 98 + HB2 GLU 98 OK 100 100 - 100 - 3.0=100 Peak 6214 from cnoeabs.peaks (2.44, 2.18, 29.43 ppm; 3.12 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 98 + HB2 GLU 98 OK 100 100 - 100 - 3.0=100 HG2 GLU 37 + HB3 GLU 37 OK 55 55 - 100 - 3.0=100 Peak 6215 from cnoeabs.peaks (8.67, 2.05, 29.43 ppm; 3.52 A): 2 out of 14 assignments used, quality = 0.91: * H GLU 98 + HB3 GLU 98 OK 90 100 - 90 - 4.0=67, 1654/1.8=26...(12) H VAL 104 + HB3 GLU 98 OK 11 61 - 18 - 3.9/11454=7, 6209/1.8=4...(6) H GLU 98 - HB3 GLN 100 poor 9 72 - 12 - 3.6/10111=3, 1655=3...(4) H GLU 98 - HB2 GLU 66 poor 7 54 - 12 - 1655=3, 1654/3.0=2...(4) H GLU 98 - HB3 GLN 85 lone 6 63 - 9 - 1654/1.8=3, 1655=2, 5.1/6224=1 H GLU 98 - HB2 GLU 89 lone 4 51 - 7 - 2174/3.0=2, 1655=2, 1655/1.8=1 H GLU 98 - HB3 GLU 89 lone 4 51 - 7 - 2174/3.0=2, 1655=2, 1655/1.8=1 H GLU 98 - HB3 GLU 87 lone 1 59 - 1 - H VAL 104 - HB3 GLU 87 lone 1 29 - 2 - 659/1.8=1 H VAL 104 - HB3 GLN 85 lone 1 32 - 2 - 6209/1.8=1 H VAL 104 - HB3 GLN 100 lone 0 37 - 1 - H VAL 104 - HB3 GLU 89 lone 1 25 - 2 - H VAL 104 - HB2 GLU 89 lone 1 25 - 2 - H VAL 104 - HB2 GLU 66 lone 0 26 - 1 - Peak 6216 from cnoeabs.peaks (4.34, 2.05, 29.43 ppm; 2.98 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 98 + HB3 GLU 98 OK 100 100 - 100 - 2.9=100 Peak 6217 from cnoeabs.peaks (2.18, 2.05, 29.43 ppm; 2.40 A): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 98 + HB3 GLU 98 OK 100 100 - 100 - 1.8=100 HB2 GLN 85 + HB3 GLN 85 OK 59 59 - 100 - 1.8=100 Peak 6218 from cnoeabs.peaks (2.05, 2.05, 29.43 ppm; diagonal): 3 out of 7 assignments used, quality = 1.00: * HB3 GLU 98 + HB3 GLU 98 OK 100 100 - 100 HB3 GLN 100 + HB3 GLN 100 OK 69 69 - 100 HB3 GLN 85 + HB3 GLN 85 OK 46 46 - 100 HB3 GLU 87 - HB3 GLU 87 OK 43 43 - 100 HB2 GLU 66 - HB2 GLU 66 OK 39 39 - 100 HB2 GLU 89 - HB2 GLU 89 OK 37 37 - 100 HB3 GLU 89 - HB3 GLU 89 OK 37 37 - 100 Peak 6219 from cnoeabs.peaks (2.38, 2.05, 29.43 ppm; 2.70 A): 3 out of 42 assignments used, quality = 0.94: * HG2 GLU 98 + HB3 GLU 98 OK 90 100 - 90 - 3.0=73, 6223/1.8=22...(13) HG2 GLU 66 + HB2 GLU 66 OK 33 37 - 89 - 3.0=73, 1.8/4909=14...(18) HG2 GLN 25 + HB3 GLU 98 OK 12 98 - 12 - ~10160=6, 6207/2.9=3...(4) HG2 GLU 98 - HB3 GLN 85 poor 7 63 - 11 - 6224=3, 6223/1.8=2...(4) HG3 MET 67 - HB2 GLU 66 poor 4 29 - 15 - 412/4.1=3, 3.3/4951=2...(6) HG2 GLU 66 - HB3 GLU 98 lone 4 81 - 5 - HG2 GLU 13 - HB3 GLU 98 lone 4 73 - 5 - HG2 GLU 98 - HB2 GLU 66 lone 3 54 - 6 - 6224=1 HG2 GLU 98 - HB3 GLN 100 lone 3 72 - 4 - 1.8/6230=1, 6224=1 HG2 GLU 66 - HB3 GLU 87 lone 3 40 - 7 - 4904/1.8=1, 1.8/4909=1, ~4910=1 HG2 GLU 66 - HB3 GLU 89 lone 3 35 - 8 - 1.8/4909=1 HG2 GLU 66 - HB2 GLU 89 lone 3 35 - 8 - 1.8/4909=1 HG2 GLU 98 - HB2 GLU 89 lone 2 51 - 4 - HG2 GLU 98 - HB3 GLU 89 lone 2 51 - 4 - HB3 TYR 27 - HB3 GLU 98 lone 2 99 - 2 - HB3 TYR 27 - HB2 GLU 89 lone 1 49 - 3 - ~11059=1, 4.4/4589=1 HB3 TYR 27 - HB3 GLU 89 lone 1 49 - 3 - ~11059=1, 4.4/4589=1 HG2 GLU 66 - HB3 GLN 85 lone 1 44 - 3 - HG3 MET 67 - HB3 GLN 100 lone 1 40 - 3 - HG3 MET 67 - HB3 GLU 98 lone 1 65 - 1 - HG2 GLU 66 - HB3 GLN 100 lone 1 51 - 1 - HG2 GLN 25 - HB2 GLU 66 lone 1 50 - 1 - HG2 GLU 13 - HB3 GLU 89 lone 1 31 - 2 - HG2 GLU 13 - HB2 GLU 89 lone 1 31 - 2 - HG2 GLN 25 - HB3 GLU 89 lone 0 48 - 1 - HG2 GLN 25 - HB2 GLU 89 lone 0 48 - 1 - HB3 TYR 27 - HB2 GLU 66 lone 0 51 - 1 - HB3 TYR 27 - HB3 GLN 100 lone 0 69 - 1 - HG2 GLN 25 - HB3 GLN 100 lone 0 68 - 1 - HG2 GLU 13 - HB2 GLU 66 lone 0 33 - 1 - HG3 MET 67 - HB3 GLN 85 lone 0 34 - 1 - HG2 GLU 13 - HB3 GLN 100 lone 0 46 - 1 - HG2 GLU 98 - HB3 GLU 87 lone 0 59 - 1 - HG2 GLN 25 - HB3 GLN 85 lone 0 59 - 1 - HG2 GLU 13 - HB3 GLU 87 lone 0 36 - 1 - HB3 TYR 27 - HB3 GLN 85 lone 0 60 - 0 - HG2 GLU 13 - HB3 GLN 85 lone 0 39 - 1 - HG2 GLN 25 - HB3 GLU 87 lone 0 55 - 0 - HG3 MET 67 - HB2 GLU 89 lone 0 27 - 1 - HG3 MET 67 - HB3 GLU 89 lone 0 27 - 1 - HB3 TYR 27 - HB3 GLU 87 lone 0 56 - 0 - HG3 MET 67 - HB3 GLU 87 lone 0 31 - 0 - Peak 6220 from cnoeabs.peaks (2.44, 2.05, 29.43 ppm; 3.15 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 98 + HB3 GLU 98 OK 100 100 - 100 - 3.0=100 HG2 GLN 100 + HB3 GLN 100 OK 70 70 - 100 - 3.0=100 Peak 6221 from cnoeabs.peaks (8.67, 2.38, 36.43 ppm; 4.22 A): 2 out of 2 assignments used, quality = 0.95: * H GLU 98 + HG2 GLU 98 OK 94 100 - 94 - 5.1=58, 1657/1.8=32...(10) H VAL 104 + HG2 GLU 98 OK 15 61 - 25 - 3.9/10232=13, 6227/1.8=6...(5) Peak 6222 from cnoeabs.peaks (4.34, 2.38, 36.43 ppm; 3.56 A): 1 out of 6 assignments used, quality = 0.95: * HA GLU 98 + HG2 GLU 98 OK 95 100 - 95 - 4.1=65, 2.9/6223=26...(17) HA SER 99 - HG2 GLU 98 OK 32 97 - 33 - 2.9/632=13, ~630=7...(6) HA GLN 85 - HG2 GLU 98 OK 13 100 - 13 - 6228/1.8=3, 3.0/6223=3 HA PHE 93 - HG2 GLU 98 lone 3 99 - 3 - HB THR 9 - HG2 GLU 98 lone 0 77 - 1 - HA LYS 49 - HG2 GLU 98 lone 0 65 - 1 - Peak 6223 from cnoeabs.peaks (2.18, 2.38, 36.43 ppm; 2.92 A): 1 out of 9 assignments used, quality = 0.97: * HB2 GLU 98 + HG2 GLU 98 OK 97 100 - 97 - 3.0=92, 1.8/6224=22...(14) HB2 GLN 85 - HG2 GLU 98 OK 10 98 - 10 - 1.8/6224=2, 6229/1.8=2 HB3 GLU 37 - HG2 GLU 98 lone 8 99 - 8 - 3507/1.8=2, ~3506=2, ~3505=1 HG3 GLU 66 - HG2 GLU 98 lone 6 96 - 6 - HB3 GLU 13 - HG2 GLU 98 lone 3 61 - 5 - 1.8/6224=1 HB3 GLN 62 - HG2 GLU 98 lone 1 87 - 1 - HB2 GLN 62 - HG2 GLU 98 lone 1 87 - 1 - HB2 MET 42 - HG2 GLU 98 lone 0 87 - 1 - HB3 MET 1 - HG2 GLU 98 lone 0 61 - 0 - Peak 6224 from cnoeabs.peaks (2.05, 2.38, 36.43 ppm; 2.98 A): 1 out of 18 assignments used, quality = 0.99: * HB3 GLU 98 + HG2 GLU 98 OK 99 100 - 99 - 3.0=98, 1.8/6223=26...(14) HB3 GLN 85 - HG2 GLU 98 OK 10 84 - 13 - 1.8/6223=3, 6219=2...(4) HB2 GLU 13 - HG2 GLU 98 lone 6 90 - 7 - 2616=1, 6230/1.8=1 HB2 GLU 66 - HG2 GLU 98 lone 6 84 - 7 - 3.0/6223=1 HB3 GLN 100 - HG2 GLU 98 lone 4 99 - 4 - 6230/1.8=1, 631/4.9=1 HB3 GLU 89 - HG2 GLU 98 lone 4 84 - 4 - HB2 GLU 89 - HG2 GLU 98 lone 4 84 - 4 - HB3 MET 67 - HG2 GLU 98 lone 3 99 - 3 - HB2 GLU 92 - HG2 GLU 98 lone 2 100 - 2 - HB3 GLU 91 - HG2 GLU 98 lone 2 73 - 2 - HB2 LYS 94 - HG2 GLU 98 lone 1 70 - 2 - HB2 GLN 28 - HG2 GLU 98 lone 1 94 - 1 - HB2 GLU 47 - HG2 GLU 98 lone 1 100 - 1 - HB VAL 117 - HG2 GLU 98 lone 1 98 - 1 - HB3 GLU 87 - HG2 GLU 98 lone 1 84 - 1 - HB3 GLU 48 - HG2 GLU 98 lone 0 84 - 0 - HB2 GLU 48 - HG2 GLU 98 lone 0 84 - 0 - HG3 GLU 52 - HG2 GLU 98 lone 0 94 - 0 - Peak 6225 from cnoeabs.peaks (2.38, 2.38, 36.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 98 + HG2 GLU 98 OK 100 100 - 100 Peak 6226 from cnoeabs.peaks (2.44, 2.38, 36.43 ppm; 2.55 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 98 + HG2 GLU 98 OK 100 100 - 100 - 1.8=100 Peak 6227 from cnoeabs.peaks (8.67, 2.44, 36.43 ppm; 4.43 A): 1 out of 4 assignments used, quality = 0.97: * H GLU 98 + HG3 GLU 98 OK 97 100 - 97 - 5.1=67, 6221/1.8=36...(13) H VAL 104 - HG3 GLU 98 OK 22 61 - 36 - 3.9/10233=19, 3.9/9367=6...(6) H GLU 98 - HG2 GLU 37 OK 17 92 - 18 - 1657=6, 3.0/6208=4...(7) H VAL 104 - HG2 GLU 37 lone 2 51 - 4 - 3.9/10233=2 Peak 6228 from cnoeabs.peaks (4.34, 2.44, 36.43 ppm; 4.05 A): 1 out of 12 assignments used, quality = 1.00: * HA GLU 98 + HG3 GLU 98 OK 100 100 - 100 - 4.1=96, 6207/1.8=30...(17) HA SER 99 - HG3 GLU 98 OK 41 97 - 43 - ~632=12, ~630=10...(7) HA GLN 85 - HG3 GLU 98 OK 18 100 - 18 - 6222/1.8=4, 3.0/6230=2...(8) HA GLU 98 - HG2 GLU 37 OK 13 92 - 15 - 6208=5, 3.0/1657=4...(5) HA PHE 93 - HG3 GLU 98 lone 5 99 - 5 - 10238/10233=1 HA SER 99 - HG2 GLU 37 lone 2 86 - 3 - HB THR 9 - HG2 GLU 37 lone 2 65 - 3 - HA GLN 85 - HG2 GLU 37 lone 1 91 - 1 - HA PHE 93 - HG2 GLU 37 lone 1 90 - 1 - HB THR 9 - HG3 GLU 98 lone 1 77 - 1 - HA LYS 49 - HG3 GLU 98 lone 1 65 - 1 - HA LYS 49 - HG2 GLU 37 lone 0 55 - 1 - Peak 6229 from cnoeabs.peaks (2.18, 2.44, 36.43 ppm; 2.86 A): 2 out of 18 assignments used, quality = 0.99: * HB2 GLU 98 + HG3 GLU 98 OK 96 100 - 96 - 3.0=87, 6223/1.8=25...(14) HB3 GLU 37 + HG2 GLU 37 OK 84 90 - 94 - 3.0=88, 1.8/3506=21...(10) HB3 GLU 37 - HG3 GLU 98 OK 12 99 - 12 - 1.8/3506=2, 6223/1.8=2...(4) HB2 GLN 85 - HG3 GLU 98 OK 11 98 - 12 - 6223/1.8=3, 1.8/6230=2...(4) HB2 GLU 98 - HG2 GLU 37 lone 7 92 - 7 - 2.9/6208=2, 4.0/1657=1 HG3 GLU 66 - HG3 GLU 98 lone 6 96 - 6 - 6223/1.8=2 HB3 GLU 13 - HG3 GLU 98 lone 3 61 - 6 - HG3 GLU 66 - HG2 GLU 37 lone 2 84 - 2 - HB2 GLN 85 - HG2 GLU 37 lone 1 88 - 1 - HB3 GLN 62 - HG3 GLU 98 lone 1 87 - 1 - HB2 GLN 62 - HG3 GLU 98 lone 1 87 - 1 - HB2 MET 42 - HG3 GLU 98 lone 0 87 - 1 - HB2 MET 42 - HG2 GLU 37 lone 1 75 - 1 - HB2 GLN 62 - HG2 GLU 37 lone 0 75 - 1 - HB3 GLN 62 - HG2 GLU 37 lone 0 75 - 1 - HB3 GLU 13 - HG2 GLU 37 lone 0 51 - 1 - HB3 MET 1 - HG3 GLU 98 lone 0 61 - 0 - HB3 MET 1 - HG2 GLU 37 lone 0 51 - 0 - Peak 6230 from cnoeabs.peaks (2.05, 2.44, 36.43 ppm; 2.83 A): 1 out of 36 assignments used, quality = 0.94: * HB3 GLU 98 + HG3 GLU 98 OK 94 100 - 94 - 3.0=84, 6224/1.8=21...(14) HB3 GLN 85 - HG3 GLU 98 lone 8 84 - 9 - 6224/1.8=2, 1.8/6229=2...(4) HB3 GLU 98 - HG2 GLU 37 lone 6 92 - 6 - 2.9/6208=2, 4.0/1657=1 HB3 GLN 100 - HG3 GLU 98 lone 6 99 - 6 - 4.0/1666=2, 4.4/642=1 HB2 GLU 47 - HG2 GLU 37 lone 4 91 - 5 - 8091/3.9=2 HB2 GLU 13 - HG3 GLU 98 lone 4 90 - 5 - 6224/1.8=1 HB2 GLU 66 - HG3 GLU 98 lone 4 84 - 5 - 6224/1.8=1 HB2 GLU 89 - HG3 GLU 98 lone 3 84 - 4 - HB3 GLU 89 - HG3 GLU 98 lone 3 84 - 4 - HB3 MET 67 - HG3 GLU 98 lone 3 99 - 3 - HB2 GLU 92 - HG3 GLU 98 lone 2 100 - 2 - HB2 LYS 94 - HG3 GLU 98 lone 1 70 - 2 - HB3 GLU 91 - HG3 GLU 98 lone 1 73 - 2 - HB3 GLN 100 - HG2 GLU 37 lone 1 89 - 1 - HB2 GLU 92 - HG2 GLU 37 lone 1 92 - 1 - HB VAL 117 - HG2 GLU 37 lone 1 88 - 1 - HB3 MET 67 - HG2 GLU 37 lone 1 90 - 1 - HB3 GLU 89 - HG2 GLU 37 lone 1 72 - 1 - HB2 GLU 89 - HG2 GLU 37 lone 1 72 - 1 - HB2 GLU 47 - HG3 GLU 98 lone 1 100 - 1 - HB2 GLU 66 - HG2 GLU 37 lone 1 72 - 1 - HB2 GLN 28 - HG3 GLU 98 lone 1 94 - 1 - HB VAL 117 - HG3 GLU 98 lone 1 98 - 1 - HB3 GLU 87 - HG3 GLU 98 lone 0 84 - 1 - HB3 GLN 85 - HG2 GLU 37 lone 0 72 - 1 - HB3 GLU 91 - HG2 GLU 37 lone 0 62 - 1 - HB2 GLU 13 - HG2 GLU 37 lone 0 78 - 0 - HB3 GLU 48 - HG3 GLU 98 lone 0 84 - 0 - HB2 GLU 48 - HG3 GLU 98 lone 0 84 - 0 - HG3 GLU 52 - HG3 GLU 98 lone 0 94 - 0 - HB2 LYS 94 - HG2 GLU 37 lone 0 58 - 0 - HB3 GLU 87 - HG2 GLU 37 lone 0 72 - 0 - HB2 GLN 28 - HG2 GLU 37 lone 0 82 - 0 - HG3 GLU 52 - HG2 GLU 37 lone 0 82 - 0 - HB2 GLU 48 - HG2 GLU 37 lone 0 72 - 0 - HB3 GLU 48 - HG2 GLU 37 lone 0 72 - 0 - Peak 6231 from cnoeabs.peaks (2.38, 2.44, 36.43 ppm; 2.47 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 98 + HG3 GLU 98 OK 100 100 - 100 - 1.8=100 Peak 6232 from cnoeabs.peaks (2.44, 2.44, 36.43 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 98 + HG3 GLU 98 OK 100 100 - 100 HG2 GLU 37 + HG2 GLU 37 OK 89 89 - 100 Peak 6233 from cnoeabs.peaks (8.10, 4.34, 60.41 ppm; 3.27 A): 2 out of 2 assignments used, quality = 1.00: * H SER 99 + HA SER 99 OK 100 100 - 100 - 2.9=100 H PHE 93 + HA PHE 93 OK 98 98 - 100 - 3.0=100 Peak 6234 from cnoeabs.peaks (4.34, 4.34, 60.41 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA SER 99 + HA SER 99 OK 100 100 - 100 HA PHE 93 + HA PHE 93 OK 98 98 - 100 Peak 6235 from cnoeabs.peaks (4.00, 4.34, 60.41 ppm; 3.00 A): 2 out of 16 assignments used, quality = 1.00: * HB2 SER 99 + HA SER 99 OK 98 100 - 98 - 3.0=97, 1661/2.9=10...(7) HB3 SER 99 + HA SER 99 OK 98 100 - 98 - 3.0=97, 1661/2.9=10...(7) HA GLU 112 - HA SER 99 lone 2 100 - 2 - 8244/3.6=1 HA3 GLY 101 - HA SER 99 lone 2 84 - 2 - 2196/3.6=1 HA LYS 17 - HA SER 99 lone 1 99 - 1 - HB3 SER 99 - HA PHE 93 lone 1 99 - 1 - HB2 SER 99 - HA PHE 93 lone 1 99 - 1 - HA LEU 14 - HA PHE 93 lone 1 87 - 1 - HA GLU 111 - HA SER 99 lone 1 96 - 1 - HA3 GLY 101 - HA PHE 93 lone 1 81 - 1 - HA GLU 112 - HA PHE 93 lone 1 99 - 1 - HA LYS 17 - HA PHE 93 lone 0 98 - 0 - HA GLU 111 - HA PHE 93 lone 0 93 - 0 - HA LEU 14 - HA SER 99 lone 0 90 - 0 - HA3 GLY 75 - HA SER 99 lone 0 73 - 0 - HA3 GLY 75 - HA PHE 93 lone 0 71 - 0 - Peak 6236 from cnoeabs.peaks (4.00, 4.34, 60.41 ppm; 3.00 A): 2 out of 16 assignments used, quality = 1.00: HB2 SER 99 + HA SER 99 OK 98 100 - 98 - 3.0=97, 1661/2.9=10...(7) * HB3 SER 99 + HA SER 99 OK 98 100 - 98 - 3.0=97, 1661/2.9=10...(7) HA GLU 112 - HA SER 99 lone 2 100 - 2 - 8244/3.6=1 HA3 GLY 101 - HA SER 99 lone 2 84 - 2 - 2196/3.6=1 HA LYS 17 - HA SER 99 lone 1 99 - 1 - HB3 SER 99 - HA PHE 93 lone 1 99 - 1 - HB2 SER 99 - HA PHE 93 lone 1 99 - 1 - HA LEU 14 - HA PHE 93 lone 1 87 - 1 - HA GLU 111 - HA SER 99 lone 1 96 - 1 - HA3 GLY 101 - HA PHE 93 lone 1 81 - 1 - HA GLU 112 - HA PHE 93 lone 1 99 - 1 - HA LYS 17 - HA PHE 93 lone 0 98 - 0 - HA GLU 111 - HA PHE 93 lone 0 93 - 0 - HA LEU 14 - HA SER 99 lone 0 90 - 0 - HA3 GLY 75 - HA SER 99 lone 0 73 - 0 - HA3 GLY 75 - HA PHE 93 lone 0 71 - 0 - Peak 6237 from cnoeabs.peaks (8.10, 4.00, 62.68 ppm; 3.82 A): 2 out of 10 assignments used, quality = 1.00: * H SER 99 + HB2 SER 99 OK 94 100 - 94 - 4.0=86, 1661/1.8=20...(7) H SER 99 + HB3 SER 99 OK 94 100 - 94 - 4.0=86, 1661/1.8=20...(7) H GLU 92 - HB3 SER 99 lone 3 90 - 3 - 3.6/8229=2 H GLU 92 - HB2 SER 99 lone 3 90 - 3 - 3.6/8229=2 H PHE 93 - HB2 SER 99 lone 3 99 - 3 - H PHE 93 - HB3 SER 99 lone 3 99 - 3 - H ALA 113 - HB3 SER 99 lone 2 61 - 3 - H ALA 113 - HB2 SER 99 lone 2 61 - 3 - H GLU 128 - HB3 SER 99 lone 1 77 - 1 - H GLU 128 - HB2 SER 99 lone 1 77 - 1 - Peak 6238 from cnoeabs.peaks (4.34, 4.00, 62.68 ppm; 3.23 A): 2 out of 2 assignments used, quality = 1.00: HA SER 99 + HB3 SER 99 OK 100 100 - 100 - 3.0=100 * HA SER 99 + HB2 SER 99 OK 100 100 - 100 - 3.0=100 Peak 6239 from cnoeabs.peaks (4.00, 4.00, 62.68 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 99 + HB3 SER 99 OK 100 100 - 100 * HB2 SER 99 + HB2 SER 99 OK 100 100 - 100 Peak 6240 from cnoeabs.peaks (4.00, 4.00, 62.68 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 99 + HB3 SER 99 OK 100 100 - 100 HB2 SER 99 + HB2 SER 99 OK 100 100 - 100 Reference assignment not found: HB3 SER 99 - HB2 SER 99 Peak 6241 from cnoeabs.peaks (8.10, 4.00, 62.68 ppm; 3.82 A): 2 out of 10 assignments used, quality = 1.00: H SER 99 + HB2 SER 99 OK 94 100 - 94 - 4.0=86, 1661/1.8=20...(7) * H SER 99 + HB3 SER 99 OK 94 100 - 94 - 4.0=86, 1661/1.8=20...(7) H GLU 92 - HB3 SER 99 lone 3 90 - 3 - 3.6/8229=2 H GLU 92 - HB2 SER 99 lone 3 90 - 3 - 3.6/8229=2 H PHE 93 - HB2 SER 99 lone 3 99 - 3 - H PHE 93 - HB3 SER 99 lone 3 99 - 3 - H ALA 113 - HB3 SER 99 lone 2 61 - 3 - H ALA 113 - HB2 SER 99 lone 2 61 - 3 - H GLU 128 - HB3 SER 99 lone 1 77 - 1 - H GLU 128 - HB2 SER 99 lone 1 77 - 1 - Peak 6242 from cnoeabs.peaks (4.34, 4.00, 62.68 ppm; 3.23 A): 2 out of 2 assignments used, quality = 1.00: * HA SER 99 + HB3 SER 99 OK 100 100 - 100 - 3.0=100 HA SER 99 + HB2 SER 99 OK 100 100 - 100 - 3.0=100 Peak 6243 from cnoeabs.peaks (4.00, 4.00, 62.68 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 99 + HB3 SER 99 OK 100 100 - 100 HB2 SER 99 + HB2 SER 99 OK 100 100 - 100 Reference assignment not found: HB2 SER 99 - HB3 SER 99 Peak 6244 from cnoeabs.peaks (4.00, 4.00, 62.68 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 99 + HB3 SER 99 OK 100 100 - 100 HB2 SER 99 + HB2 SER 99 OK 100 100 - 100 Peak 6245 from cnoeabs.peaks (7.62, 4.31, 55.93 ppm; 5.29 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 100 + HA GLN 100 OK 100 100 - 100 - 3.0=100 Peak 6246 from cnoeabs.peaks (4.31, 4.31, 55.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 100 + HA GLN 100 OK 100 100 - 100 Peak 6247 from cnoeabs.peaks (2.21, 4.31, 55.93 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 100 + HA GLN 100 OK 100 100 - 100 - 3.0=100 Peak 6248 from cnoeabs.peaks (2.05, 4.31, 55.93 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 100 + HA GLN 100 OK 100 100 - 100 - 3.0=100 Peak 6249 from cnoeabs.peaks (2.44, 4.31, 55.93 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 100 + HA GLN 100 OK 100 100 - 100 - 4.1=100 Peak 6250 from cnoeabs.peaks (2.35, 4.31, 55.93 ppm; 4.01 A): 1 out of 6 assignments used, quality = 0.99: * HG3 GLN 100 + HA GLN 100 OK 99 100 - 99 - 4.1=93, 1.8/6270=38...(11) HG2 GLN 83 - HA GLN 100 poor 9 77 - 11 - 3.0/9995=3, 3.0/9994=3...(4) HG3 GLU 112 - HA GLN 100 lone 3 84 - 4 - 1667/3.0=1 HG2 GLU 112 - HA GLN 100 lone 3 81 - 4 - HG2 GLU 13 - HA GLN 100 lone 3 92 - 3 - HB3 PHE 120 - HA GLN 100 lone 2 96 - 2 - Peak 6253 from cnoeabs.peaks (7.62, 2.21, 29.21 ppm; 3.62 A): 2 out of 22 assignments used, quality = 0.97: * H GLN 100 + HB2 GLN 100 OK 89 100 - 89 - 4.0=72, 638/4.4=16...(8) H GLU 69 + HB2 GLU 69 OK 75 82 - 91 - 4.0=71, 1455/1.8=18...(13) H GLU 69 - HB2 GLN 100 OK 17 99 - 17 - 1457/3.0=4, 1454=3...(7) H ALA 46 - HB2 GLU 69 poor 9 61 - 15 - 5021/3.0=3, 1454=2...(7) H LEU 64 - HB2 GLN 100 lone 6 100 - 6 - H LEU 64 - HB2 GLU 69 lone 6 83 - 7 - 428/4.6=1, 5009/1.8=1 H GLN 100 - HB2 GLU 69 lone 6 84 - 7 - 11178/2.9=2, 5021/3.0=1 H ASP 34 - HB2 GLU 69 lone 4 78 - 6 - 9317/3.0=2, 9316/3.0=2 H LYS 115 - HB2 GLU 69 lone 3 80 - 4 - H LEU 74 - HB2 GLU 69 lone 3 61 - 5 - 4.6/7649=2, 452/4.6=1 H LYS 115 - HB2 GLN 100 lone 3 98 - 3 - H ASP 34 - HB2 GLN 100 lone 2 97 - 2 - HE21 GLN 85 - HB2 GLN 100 lone 2 100 - 2 - H ALA 46 - HB2 GLN 100 lone 2 81 - 2 - HE21 GLN 85 - HB2 GLU 69 lone 1 84 - 2 - HD21 ASN 50 - HB2 GLN 100 lone 1 92 - 1 - H LEU 74 - HB2 GLN 100 lone 1 81 - 1 - HD21 ASN 10 - HB2 GLN 100 lone 1 65 - 1 - HD21 ASN 50 - HB2 GLU 69 lone 1 72 - 1 - H LYS 16 - HB2 GLN 100 lone 0 61 - 1 - H LYS 16 - HB2 GLU 69 lone 0 45 - 1 - HD21 ASN 10 - HB2 GLU 69 lone 0 48 - 1 - Peak 6254 from cnoeabs.peaks (4.31, 2.21, 29.21 ppm; 3.46 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 100 + HB2 GLN 100 OK 100 100 - 100 - 3.0=100 Peak 6255 from cnoeabs.peaks (2.21, 2.21, 29.21 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLN 100 + HB2 GLN 100 OK 100 100 - 100 HB2 GLU 69 + HB2 GLU 69 OK 74 74 - 100 Peak 6256 from cnoeabs.peaks (2.05, 2.21, 29.21 ppm; 2.49 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 100 + HB2 GLN 100 OK 100 100 - 100 - 1.8=100 Peak 6257 from cnoeabs.peaks (2.44, 2.21, 29.21 ppm; 3.31 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 100 + HB2 GLN 100 OK 100 100 - 100 - 3.0=100 HG3 GLU 69 + HB2 GLU 69 OK 82 82 - 100 - 3.0=100 Peak 6258 from cnoeabs.peaks (2.35, 2.21, 29.21 ppm; 3.12 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 100 + HB2 GLN 100 OK 100 100 - 100 - 3.0=100 Peak 6261 from cnoeabs.peaks (7.62, 2.05, 29.21 ppm; 3.86 A): 2 out of 77 assignments used, quality = 0.99: * H GLN 100 + HB3 GLN 100 OK 96 100 - 96 - 4.0=88, 638/4.4=18...(9) HE21 GLN 85 + HB3 GLN 85 OK 71 82 - 86 - 4.4=67, 984/3.0=15...(16) H GLU 69 - HB2 GLU 66 OK 38 87 - 44 - 2107/3.0=12, 1455/1.8=7...(12) H LEU 64 - HB2 GLU 66 OK 38 88 - 44 - 2084/3.7=18, 3.6/8111=8...(10) H GLN 100 - HB3 GLU 98 OK 19 72 - 26 - 1942/4.3=14, 1665=5...(4) H GLU 69 - HB3 GLN 100 OK 17 99 - 18 - 1457/3.0=4, 1454/1.8=3...(6) H GLU 69 - HB2 GLU 92 poor 10 56 - 18 - 2107/3.0=5, 2.9/8090=4...(5) HE21 GLN 85 - HB2 GLU 66 poor 10 89 - 11 - 8131/3.0=2, 2091/3.7=1 H LEU 64 - HB3 GLN 100 lone 8 100 - 8 - 6277/3.0=1, 6269/3.0=1 H GLN 100 - HB2 GLU 66 lone 7 89 - 8 - 1665=2, 2099/4.1=1 H ASP 34 - HB3 GLU 98 lone 6 67 - 9 - 9318/1.8=4, 9316/3.0=3 H LYS 115 - HB2 GLU 66 lone 6 85 - 7 - 2091/3.7=2 HE21 GLN 85 - HB3 GLU 98 lone 5 72 - 7 - ~11168=1 H LEU 64 - HB3 GLN 85 lone 5 81 - 6 - 3.6/8111=3 H ALA 46 - HB2 GLU 66 lone 5 66 - 7 - 2107/3.0=2, 2106/4.1=1 H LYS 115 - HB3 GLN 100 lone 5 98 - 5 - H ASP 34 - HB2 GLU 66 lone 5 83 - 6 - 9318/3.0=2 H LEU 64 - HB3 GLU 89 lone 4 89 - 5 - 1907/4.7=1 H LEU 64 - HB2 GLU 89 lone 4 89 - 5 - 1907/4.7=1 H ASP 34 - HB3 GLU 89 lone 4 84 - 5 - 9325/4.0=3 H ASP 34 - HB2 GLU 89 lone 4 84 - 5 - 9325/4.0=3 H GLN 100 - HB2 GLU 89 lone 4 90 - 4 - H GLN 100 - HB3 GLU 89 lone 4 90 - 4 - H GLU 69 - HB2 GLU 89 lone 3 88 - 4 - H GLU 69 - HB3 GLU 89 lone 3 88 - 4 - H ASP 34 - HB3 GLN 100 lone 3 97 - 3 - H GLU 69 - HB3 GLU 98 lone 3 70 - 4 - H GLN 100 - HB2 GLU 92 lone 3 58 - 5 - 1665=1 HE21 GLN 85 - HB3 GLN 100 lone 3 100 - 3 - HE21 GLN 85 - HB2 GLU 89 lone 2 90 - 3 - HE21 GLN 85 - HB3 GLU 89 lone 2 90 - 3 - H GLU 69 - HB3 GLN 85 lone 2 81 - 3 - H GLN 100 - HB3 GLN 85 lone 2 83 - 2 - H LYS 115 - HB3 GLU 98 lone 2 68 - 3 - 1942/4.3=1 HD21 ASN 50 - HB2 GLU 66 lone 2 77 - 2 - H ALA 46 - HB3 GLN 100 lone 2 81 - 2 - H LEU 64 - HB3 GLU 98 lone 2 71 - 2 - H LEU 64 - HB2 GLU 92 lone 2 57 - 3 - H LYS 115 - HB3 GLU 89 lone 2 86 - 2 - H LYS 115 - HB2 GLU 89 lone 2 86 - 2 - H ASP 34 - HB3 GLN 85 lone 1 77 - 2 - HD21 ASN 50 - HB3 GLN 85 lone 1 71 - 2 - HD21 ASN 50 - HB3 GLN 100 lone 1 92 - 1 - H LYS 115 - HB2 GLU 92 lone 1 54 - 2 - H LEU 74 - HB2 GLU 89 lone 1 67 - 2 - H LEU 74 - HB3 GLU 89 lone 1 67 - 2 - H LEU 74 - HB2 GLU 66 lone 1 66 - 2 - H LEU 74 - HB3 GLN 100 lone 1 81 - 1 - H LYS 16 - HB2 GLU 89 lone 1 49 - 2 - H LYS 16 - HB3 GLU 89 lone 1 49 - 2 - H LYS 115 - HB3 GLN 85 lone 1 78 - 1 - HD21 ASN 50 - HB2 GLU 89 lone 1 78 - 1 - HD21 ASN 50 - HB3 GLU 89 lone 1 78 - 1 - H ASP 34 - HB2 GLU 92 lone 1 53 - 2 - H ALA 46 - HB2 GLU 92 lone 1 40 - 2 - H ALA 46 - HB2 GLU 89 lone 1 67 - 1 - H ALA 46 - HB3 GLU 89 lone 1 67 - 1 - H LYS 16 - HB2 GLU 66 lone 1 49 - 2 - H ALA 46 - HB3 GLU 98 lone 1 51 - 1 - HD21 ASN 10 - HB3 GLN 100 lone 1 65 - 1 - H LYS 16 - HB3 GLN 100 lone 1 61 - 1 - HE21 GLN 85 - HB2 GLU 92 lone 1 58 - 1 - HD21 ASN 10 - HB2 GLU 66 lone 1 52 - 1 - H ALA 46 - HB3 GLN 85 lone 0 60 - 1 - HD21 ASN 50 - HB3 GLU 98 lone 0 61 - 1 - HD21 ASN 10 - HB2 GLU 89 lone 0 53 - 1 - HD21 ASN 10 - HB3 GLU 89 lone 0 53 - 1 - H LEU 74 - HB3 GLN 85 lone 0 60 - 1 - H LEU 74 - HB3 GLU 98 lone 0 51 - 1 - H LYS 16 - HB3 GLN 85 lone 0 44 - 1 - HD21 ASN 50 - HB2 GLU 92 lone 0 48 - 1 - H LYS 16 - HB2 GLU 92 lone 0 29 - 1 - HD21 ASN 10 - HB3 GLN 85 lone 0 47 - 1 - H LEU 74 - HB2 GLU 92 lone 0 40 - 1 - H LYS 16 - HB3 GLU 98 lone 0 37 - 1 - HD21 ASN 10 - HB3 GLU 98 lone 0 40 - 1 - HD21 ASN 10 - HB2 GLU 92 lone 0 31 - 1 - Peak 6262 from cnoeabs.peaks (4.31, 2.05, 29.21 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * HA GLN 100 + HB3 GLN 100 OK 100 100 - 100 - 3.0=100 Peak 6263 from cnoeabs.peaks (2.21, 2.05, 29.21 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 100 + HB3 GLN 100 OK 100 100 - 100 - 1.8=100 Peak 6264 from cnoeabs.peaks (2.05, 2.05, 29.21 ppm; diagonal): 7 out of 7 assignments used, quality = 1.00: * HB3 GLN 100 + HB3 GLN 100 OK 100 100 - 100 HB3 GLU 89 + HB3 GLU 89 OK 82 82 - 100 HB2 GLU 89 + HB2 GLU 89 OK 82 82 - 100 HB2 GLU 66 + HB2 GLU 66 OK 81 81 - 100 HB3 GLN 85 + HB3 GLN 85 OK 75 75 - 100 HB3 GLU 98 + HB3 GLU 98 OK 69 69 - 100 HB2 GLU 92 + HB2 GLU 92 OK 55 55 - 100 Peak 6265 from cnoeabs.peaks (2.44, 2.05, 29.21 ppm; 3.15 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 100 + HB3 GLN 100 OK 100 100 - 100 - 3.0=100 HG3 GLU 98 + HB3 GLU 98 OK 70 70 - 100 - 3.0=100 Peak 6266 from cnoeabs.peaks (2.35, 2.05, 29.21 ppm; 2.70 A): 1 out of 42 assignments used, quality = 0.80: * HG3 GLN 100 + HB3 GLN 100 OK 80 100 - 80 - 3.0=73, 6278/3.0=14...(5) HG2 GLU 13 - HB2 GLU 92 poor 8 48 - 16 - 2626=4, 2625/3.0=3...(5) HB3 PHE 120 - HB2 GLU 66 lone 3 81 - 3 - HG2 GLU 13 - HB3 GLU 98 lone 2 61 - 4 - HG2 GLN 83 - HB3 GLN 100 lone 2 77 - 3 - HG3 GLN 100 - HB2 GLU 66 lone 1 89 - 2 - HG3 GLU 112 - HB2 GLU 66 lone 1 69 - 2 - HG2 GLU 13 - HB3 GLU 89 lone 1 78 - 2 - HG2 GLU 13 - HB2 GLU 89 lone 1 78 - 2 - HG3 GLN 100 - HB3 GLU 98 lone 1 72 - 2 - HG2 GLU 112 - HB2 GLU 66 lone 1 66 - 2 - HB3 PHE 120 - HB3 GLN 100 lone 1 96 - 1 - HG2 GLU 13 - HB3 GLN 100 lone 1 92 - 1 - HG3 GLU 112 - HB3 GLN 100 lone 1 84 - 1 - HG2 GLU 13 - HB2 GLU 66 lone 1 77 - 1 - HB3 PHE 120 - HB3 GLU 89 lone 1 82 - 1 - HB3 PHE 120 - HB2 GLU 89 lone 1 82 - 1 - HG2 GLU 112 - HB3 GLN 100 lone 1 81 - 1 - HB3 PHE 120 - HB2 GLU 92 lone 1 52 - 1 - HG3 GLN 100 - HB3 GLU 89 lone 1 90 - 1 - HG3 GLN 100 - HB2 GLU 89 lone 1 90 - 1 - HG3 GLN 100 - HB2 GLU 92 lone 1 58 - 1 - HG2 GLU 13 - HB3 GLN 85 lone 1 71 - 1 - HG3 GLN 100 - HB3 GLN 85 lone 0 83 - 0 - HG3 GLU 112 - HB2 GLU 89 lone 0 70 - 1 - HG3 GLU 112 - HB3 GLU 89 lone 0 70 - 1 - HG2 GLU 112 - HB2 GLU 89 lone 0 67 - 1 - HG2 GLU 112 - HB3 GLU 89 lone 0 67 - 1 - HB3 PHE 120 - HB3 GLN 85 lone 0 75 - 0 - HG2 GLN 83 - HB3 GLU 89 lone 0 63 - 0 - HG2 GLN 83 - HB2 GLU 89 lone 0 63 - 0 - HB3 PHE 120 - HB3 GLU 98 lone 0 65 - 0 - HG3 GLU 112 - HB3 GLN 85 lone 0 63 - 0 - HG2 GLU 112 - HB3 GLN 85 lone 0 60 - 0 - HG3 GLU 112 - HB2 GLU 92 lone 0 42 - 0 - HG2 GLN 83 - HB2 GLU 66 lone 0 63 - 0 - HG2 GLN 83 - HB3 GLN 85 lone 0 57 - 0 - HG2 GLU 112 - HB2 GLU 92 lone 0 40 - 0 - HG3 GLU 112 - HB3 GLU 98 lone 0 54 - 0 - HG2 GLU 112 - HB3 GLU 98 lone 0 51 - 0 - HG2 GLN 83 - HB3 GLU 98 lone 0 48 - 0 - HG2 GLN 83 - HB2 GLU 92 lone 0 38 - 0 - Peak 6269 from cnoeabs.peaks (7.62, 2.44, 34.18 ppm; 4.43 A): 1 out of 11 assignments used, quality = 0.95: * H GLN 100 + HG2 GLN 100 OK 95 100 - 95 - 4.9=73, 3.0/6270=36...(9) H GLU 69 - HG2 GLN 100 OK 26 99 - 26 - 1457=7, 4.9/11489=5...(9) H LEU 64 - HG2 GLN 100 lone 6 100 - 6 - 6277/1.8=2 H ASP 34 - HG2 GLN 100 lone 5 97 - 5 - 9316=2 H LYS 115 - HG2 GLN 100 lone 5 98 - 5 - 6277/1.8=1, 1666=1 HE21 GLN 85 - HG2 GLN 100 lone 3 100 - 3 - H ALA 46 - HG2 GLN 100 lone 2 81 - 3 - H LEU 74 - HG2 GLN 100 lone 1 81 - 2 - HD21 ASN 50 - HG2 GLN 100 lone 1 92 - 1 - HD21 ASN 10 - HG2 GLN 100 lone 1 65 - 1 - H LYS 16 - HG2 GLN 100 lone 1 61 - 1 - Peak 6270 from cnoeabs.peaks (4.31, 2.44, 34.18 ppm; 3.78 A): 1 out of 4 assignments used, quality = 0.94: * HA GLN 100 + HG2 GLN 100 OK 94 100 - 94 - 4.1=79, 6278/1.8=36...(11) HB THR 9 - HG2 GLN 100 lone 4 90 - 4 - 6278/1.8=1, 9110/3.0=1 HA LYS 49 - HG2 GLN 100 lone 1 96 - 1 - HA LYS 73 - HG2 GLN 100 lone 1 61 - 1 - Peak 6271 from cnoeabs.peaks (2.21, 2.44, 34.18 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 100 + HG2 GLN 100 OK 100 100 - 100 - 3.0=100 Peak 6272 from cnoeabs.peaks (2.05, 2.44, 34.18 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 100 + HG2 GLN 100 OK 100 100 - 100 - 3.0=100 Peak 6273 from cnoeabs.peaks (2.44, 2.44, 34.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 100 + HG2 GLN 100 OK 100 100 - 100 Peak 6274 from cnoeabs.peaks (2.35, 2.44, 34.18 ppm; 2.66 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 100 + HG2 GLN 100 OK 100 100 - 100 - 1.8=100 Peak 6275 from cnoeabs.peaks (7.29, 2.44, 34.18 ppm; 4.91 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 100 + HG2 GLN 100 OK 100 100 - 100 - 3.5=100 Peak 6276 from cnoeabs.peaks (6.75, 2.44, 34.18 ppm; 5.70 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 100 + HG2 GLN 100 OK 100 100 - 100 - 3.5=100 Peak 6277 from cnoeabs.peaks (7.62, 2.35, 34.18 ppm; 4.58 A): 1 out of 11 assignments used, quality = 0.97: * H GLN 100 + HG3 GLN 100 OK 97 100 - 97 - 4.9=81, 3.0/6278=38...(8) H GLU 69 - HG3 GLN 100 OK 17 99 - 18 - 6269/1.8=7, 1454/3.0=3...(6) H LEU 64 - HG3 GLN 100 lone 7 100 - 7 - 6269/1.8=2, 6253/3.0=1 H LYS 115 - HG3 GLN 100 lone 5 98 - 5 - 6269/1.8=1, 1667=1 H ASP 34 - HG3 GLN 100 lone 3 97 - 3 - 9316/1.8=2 HE21 GLN 85 - HG3 GLN 100 lone 3 100 - 3 - H ALA 46 - HG3 GLN 100 lone 2 81 - 2 - H LEU 74 - HG3 GLN 100 lone 1 81 - 2 - HD21 ASN 50 - HG3 GLN 100 lone 1 92 - 2 - HD21 ASN 10 - HG3 GLN 100 lone 1 65 - 1 - H LYS 16 - HG3 GLN 100 lone 1 61 - 1 - Peak 6278 from cnoeabs.peaks (4.31, 2.35, 34.18 ppm; 3.73 A): 1 out of 4 assignments used, quality = 0.93: * HA GLN 100 + HG3 GLN 100 OK 93 100 - 93 - 4.1=75, 6270/1.8=34...(11) HB THR 9 - HG3 GLN 100 lone 4 90 - 4 - 6270/1.8=1, 9110/3.0=1 HA LYS 49 - HG3 GLN 100 lone 1 96 - 1 - HA LYS 73 - HG3 GLN 100 lone 1 61 - 1 - Peak 6279 from cnoeabs.peaks (2.21, 2.35, 34.18 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 100 + HG3 GLN 100 OK 100 100 - 100 - 3.0=100 Peak 6280 from cnoeabs.peaks (2.05, 2.35, 34.18 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 100 + HG3 GLN 100 OK 100 100 - 100 - 3.0=100 Peak 6281 from cnoeabs.peaks (2.44, 2.35, 34.18 ppm; 2.68 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 100 + HG3 GLN 100 OK 100 100 - 100 - 1.8=100 Peak 6282 from cnoeabs.peaks (2.35, 2.35, 34.18 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 100 + HG3 GLN 100 OK 100 100 - 100 Peak 6283 from cnoeabs.peaks (7.29, 2.35, 34.18 ppm; 5.04 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 100 + HG3 GLN 100 OK 100 100 - 100 - 3.5=100 Peak 6284 from cnoeabs.peaks (6.75, 2.35, 34.18 ppm; 5.22 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 100 + HG3 GLN 100 OK 100 100 - 100 - 3.5=100 Peak 6285 from cnoeabs.peaks (7.95, 3.72, 45.20 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 101 + HA2 GLY 101 OK 100 100 - 100 - 2.9=100 Peak 6286 from cnoeabs.peaks (3.72, 3.72, 45.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 101 + HA2 GLY 101 OK 100 100 - 100 Peak 6287 from cnoeabs.peaks (4.01, 3.72, 45.20 ppm; 2.99 A): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 101 + HA2 GLY 101 OK 100 100 - 100 - 1.8=100 Peak 6288 from cnoeabs.peaks (7.95, 4.01, 45.20 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 101 + HA3 GLY 101 OK 100 100 - 100 - 2.9=100 Peak 6289 from cnoeabs.peaks (3.72, 4.01, 45.20 ppm; 3.02 A): 1 out of 1 assignment used, quality = 1.00: * HA2 GLY 101 + HA3 GLY 101 OK 100 100 - 100 - 1.8=100 Peak 6290 from cnoeabs.peaks (4.01, 4.01, 45.20 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA3 GLY 101 + HA3 GLY 101 OK 100 100 - 100 Peak 6292 from cnoeabs.peaks (4.67, 4.67, 56.25 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA TYR 102 + HA TYR 102 OK 100 100 - 100 Peak 6293 from cnoeabs.peaks (2.47, 4.67, 56.25 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 102 + HA TYR 102 OK 100 100 - 100 - 3.0=100 Peak 6294 from cnoeabs.peaks (2.75, 4.67, 56.25 ppm; 4.23 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 102 + HA TYR 102 OK 100 100 - 100 - 3.0=100 Peak 6298 from cnoeabs.peaks (6.98, 4.67, 56.25 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 102 + HA TYR 102 OK 100 100 - 100 - 3.7=100 Peak 6299 from cnoeabs.peaks (6.89, 2.47, 39.05 ppm; 5.00 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 102 + HB2 TYR 102 OK 100 100 - 100 - 4.0=100 Peak 6300 from cnoeabs.peaks (4.67, 2.47, 39.05 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 102 + HB2 TYR 102 OK 100 100 - 100 - 3.0=100 Peak 6301 from cnoeabs.peaks (2.47, 2.47, 39.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 102 + HB2 TYR 102 OK 100 100 - 100 Peak 6302 from cnoeabs.peaks (2.75, 2.47, 39.05 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 102 + HB2 TYR 102 OK 100 100 - 100 - 1.8=100 Peak 6306 from cnoeabs.peaks (6.98, 2.47, 39.05 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 102 + HB2 TYR 102 OK 100 100 - 100 - 2.5=100 Peak 6307 from cnoeabs.peaks (6.89, 2.75, 39.05 ppm; 4.89 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 102 + HB3 TYR 102 OK 100 100 - 100 - 4.0=100 Peak 6308 from cnoeabs.peaks (4.67, 2.75, 39.05 ppm; 4.23 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 102 + HB3 TYR 102 OK 100 100 - 100 - 3.0=100 Peak 6309 from cnoeabs.peaks (2.47, 2.75, 39.05 ppm; 3.47 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 102 + HB3 TYR 102 OK 100 100 - 100 - 1.8=100 Peak 6310 from cnoeabs.peaks (2.75, 2.75, 39.05 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 102 + HB3 TYR 102 OK 100 100 - 100 Peak 6314 from cnoeabs.peaks (6.98, 2.75, 39.05 ppm; 4.03 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 102 + HB3 TYR 102 OK 100 100 - 100 - 2.5=100 Peak 6325 from cnoeabs.peaks (2.47, 6.71, 118.26 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.99: * HB2 TYR 102 + QE TYR 102 OK 99 99 - 100 - 4.4=100 Peak 6326 from cnoeabs.peaks (2.75, 6.71, 118.26 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.99: * HB3 TYR 102 + QE TYR 102 OK 99 99 - 100 - 4.4=100 Peak 6329 from cnoeabs.peaks (6.71, 6.71, 118.26 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QE TYR 102 + QE TYR 102 OK 99 99 - 100 QE TYR 76 + QE TYR 76 OK 85 85 - 100 Peak 6330 from cnoeabs.peaks (6.98, 6.71, 118.26 ppm; 3.17 A): 1 out of 1 assignment used, quality = 0.99: * QD TYR 102 + QE TYR 102 OK 99 99 - 100 - 2.2=100 Peak 6332 from cnoeabs.peaks (4.67, 6.98, 132.43 ppm; 5.22 A): 1 out of 1 assignment used, quality = 1.00: * HA TYR 102 + QD TYR 102 OK 100 100 - 100 - 3.7=100 Peak 6333 from cnoeabs.peaks (2.47, 6.98, 132.43 ppm; 5.18 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 102 + QD TYR 102 OK 100 100 - 100 - 2.5=100 Peak 6334 from cnoeabs.peaks (2.75, 6.98, 132.43 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 102 + QD TYR 102 OK 100 100 - 100 - 2.5=100 Peak 6337 from cnoeabs.peaks (6.71, 6.98, 132.43 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * QE TYR 102 + QD TYR 102 OK 100 100 - 100 - 2.2=100 Peak 6338 from cnoeabs.peaks (6.98, 6.98, 132.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 102 + QD TYR 102 OK 100 100 - 100 Peak 6339 from cnoeabs.peaks (8.32, 4.51, 56.38 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 103 + HA GLU 103 OK 100 100 - 100 - 3.0=100 Peak 6340 from cnoeabs.peaks (4.51, 4.51, 56.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 103 + HA GLU 103 OK 100 100 - 100 Peak 6341 from cnoeabs.peaks (2.09, 4.51, 56.38 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 103 + HA GLU 103 OK 100 100 - 100 - 3.0=100 Peak 6342 from cnoeabs.peaks (1.99, 4.51, 56.38 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 103 + HA GLU 103 OK 100 100 - 100 - 3.0=100 Peak 6343 from cnoeabs.peaks (2.26, 4.51, 56.38 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 103 + HA GLU 103 OK 100 100 - 100 - 4.0=100 Peak 6344 from cnoeabs.peaks (2.32, 4.51, 56.38 ppm; 4.10 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 103 + HA GLU 103 OK 100 100 - 100 - 4.0=100 Peak 6345 from cnoeabs.peaks (8.32, 2.09, 30.37 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 103 + HB2 GLU 103 OK 100 100 - 100 - 4.0=100 Peak 6346 from cnoeabs.peaks (4.51, 2.09, 30.37 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 103 + HB2 GLU 103 OK 100 100 - 100 - 3.0=100 Peak 6347 from cnoeabs.peaks (2.09, 2.09, 30.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 103 + HB2 GLU 103 OK 100 100 - 100 Peak 6348 from cnoeabs.peaks (1.99, 2.09, 30.37 ppm; 2.82 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 103 + HB2 GLU 103 OK 100 100 - 100 - 1.8=100 Peak 6349 from cnoeabs.peaks (2.26, 2.09, 30.37 ppm; 3.21 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 103 + HB2 GLU 103 OK 100 100 - 100 - 3.0=100 Peak 6350 from cnoeabs.peaks (2.32, 2.09, 30.37 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 103 + HB2 GLU 103 OK 100 100 - 100 - 3.0=100 Peak 6351 from cnoeabs.peaks (8.32, 1.99, 30.37 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 103 + HB3 GLU 103 OK 100 100 - 100 - 4.0=100 Peak 6352 from cnoeabs.peaks (4.51, 1.99, 30.37 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 103 + HB3 GLU 103 OK 100 100 - 100 - 3.0=100 Peak 6353 from cnoeabs.peaks (2.09, 1.99, 30.37 ppm; 2.89 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 103 + HB3 GLU 103 OK 100 100 - 100 - 1.8=100 Peak 6354 from cnoeabs.peaks (1.99, 1.99, 30.37 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 103 + HB3 GLU 103 OK 100 100 - 100 Peak 6355 from cnoeabs.peaks (2.26, 1.99, 30.37 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 103 + HB3 GLU 103 OK 100 100 - 100 - 3.0=100 Peak 6356 from cnoeabs.peaks (2.32, 1.99, 30.37 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 103 + HB3 GLU 103 OK 100 100 - 100 - 3.0=100 Peak 6357 from cnoeabs.peaks (8.32, 2.26, 36.25 ppm; 5.65 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 103 + HG2 GLU 103 OK 100 100 - 100 - 4.8=100 Peak 6358 from cnoeabs.peaks (4.51, 2.26, 36.25 ppm; 4.30 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 103 + HG2 GLU 103 OK 100 100 - 100 - 4.0=100 Peak 6359 from cnoeabs.peaks (2.09, 2.26, 36.25 ppm; 2.86 A): 3 out of 60 assignments used, quality = 0.93: * HB2 GLU 103 + HG2 GLU 103 OK 89 100 - 89 - 3.0=87, 1683/4.8=6...(4) HB2 GLU 111 + HG3 GLU 111 OK 29 32 - 89 - 3.0=86, 3.0/6596=7...(6) HB3 PHE 79 + HG2 GLU 103 OK 17 87 - 20 - ~10206=5, ~10212=4...(6) HB3 GLU 69 - HG3 GLU 92 lone 4 57 - 8 - 1.8/5007=2, 5013=1, 8135/4.0=1 HB3 GLU 69 - HG3 GLU 111 lone 4 42 - 9 - 1.8/5007=2, 5013=1...(4) HB2 GLU 112 - HG3 GLU 111 lone 4 42 - 9 - 4.0/708=3, 5013=1 HB3 GLU 66 - HG2 GLU 89 lone 3 60 - 6 - HB3 GLU 112 - HG3 GLU 111 lone 3 42 - 8 - 4.0/708=3, 5013=1 HB3 GLU 66 - HG3 GLU 92 lone 3 54 - 6 - HB2 GLU 87 - HG2 GLU 89 lone 3 58 - 6 - 4.0/7834=1 HG2 GLU 119 - HG3 GLU 92 lone 3 46 - 6 - 3.0/5864=1 HB2 GLU 87 - HG3 GLU 111 lone 2 39 - 6 - 5707/1.8=1 HB3 GLU 91 - HG3 GLU 92 lone 2 31 - 7 - 4.6/1608=4, 6911/4.0=1 HB2 GLU 111 - HG2 GLU 89 lone 2 49 - 4 - 7870/5.2=1 HB2 GLU 87 - HG2 GLU 103 lone 1 97 - 1 - HB2 GLU 112 - HG2 GLU 103 lone 1 100 - 1 - HB3 GLU 69 - HG2 GLU 89 lone 1 63 - 2 - HB3 GLU 112 - HG2 GLU 103 lone 1 99 - 1 - HB3 GLU 91 - HG2 GLU 89 lone 1 34 - 3 - 4.6/1608=3 HB3 GLU 66 - HG2 GLU 103 lone 1 98 - 1 - HB2 GLU 103 - HG3 GLU 92 lone 1 57 - 2 - HG2 GLU 119 - HG2 GLU 103 lone 1 90 - 1 - HB3 GLU 66 - HG3 GLU 111 lone 1 40 - 2 - HB2 GLU 112 - HG2 GLU 89 lone 1 63 - 1 - HB3 GLU 112 - HG2 GLU 89 lone 1 62 - 1 - HB2 GLU 87 - HG3 GLU 92 lone 1 53 - 1 - HB2 GLU 111 - HG3 GLU 92 lone 1 44 - 2 - HB3 GLU 91 - HG2 GLU 103 lone 1 65 - 1 - HG2 GLU 119 - HG2 GLU 89 lone 1 51 - 1 - HB2 GLU 111 - HG2 GLU 103 lone 1 87 - 1 - HB2 GLU 103 - HG2 GLU 89 lone 1 64 - 1 - HB3 GLU 69 - HG2 GLU 103 lone 1 100 - 1 - HB3 MET 121 - HG2 GLU 103 lone 0 92 - 1 - HB2 GLU 112 - HG3 GLU 92 lone 0 57 - 1 - HB3 GLU 112 - HG3 GLU 92 lone 0 56 - 1 - HB2 LYS 94 - HG2 GLU 103 lone 0 70 - 1 - HB3 PHE 79 - HG2 GLU 89 lone 0 49 - 1 - HB3 PHE 79 - HG3 GLU 92 lone 0 44 - 1 - HB2 LYS 94 - HG3 GLU 92 lone 0 33 - 1 - HG2 GLU 52 - HG2 GLU 103 lone 0 84 - 0 - HB3 PHE 79 - HG3 GLU 111 lone 0 32 - 1 - HG2 GLU 119 - HG3 GLU 111 lone 0 34 - 1 - HG3 GLU 21 - HG2 GLU 103 lone 0 70 - 0 - HB3 GLU 91 - HG3 GLU 111 lone 0 22 - 1 - HB2 GLU 103 - HG3 GLU 111 lone 0 43 - 0 - HB3 MET 121 - HG2 GLU 89 lone 0 53 - 0 - HG2 GLU 21 - HG2 GLU 103 lone 0 61 - 0 - HB3 MET 121 - HG3 GLU 92 lone 0 48 - 0 - HB2 LYS 94 - HG2 GLU 89 lone 0 37 - 0 - HG2 GLU 52 - HG2 GLU 89 lone 0 47 - 0 - HG2 GLU 52 - HG3 GLU 92 lone 0 42 - 0 - HG3 GLU 21 - HG3 GLU 111 lone 0 24 - 0 - HG3 GLU 21 - HG2 GLU 89 lone 0 37 - 0 - HB3 MET 121 - HG3 GLU 111 lone 0 35 - 0 - HG2 GLU 21 - HG3 GLU 111 lone 0 21 - 0 - HG3 GLU 21 - HG3 GLU 92 lone 0 33 - 0 - HG2 GLU 21 - HG2 GLU 89 lone 0 32 - 0 - HG2 GLU 52 - HG3 GLU 111 lone 0 31 - 0 - HG2 GLU 21 - HG3 GLU 92 lone 0 28 - 0 - HB2 LYS 94 - HG3 GLU 111 lone 0 24 - 0 - Peak 6360 from cnoeabs.peaks (1.99, 2.26, 36.25 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 103 + HG2 GLU 103 OK 100 100 - 100 - 3.0=100 Peak 6361 from cnoeabs.peaks (2.26, 2.26, 36.25 ppm; diagonal): 3 out of 4 assignments used, quality = 1.00: * HG2 GLU 103 + HG2 GLU 103 OK 100 100 - 100 HG2 GLU 89 + HG2 GLU 89 OK 58 58 - 100 HG3 GLU 92 + HG3 GLU 92 OK 49 49 - 100 HG3 GLU 111 - HG3 GLU 111 OK 31 31 - 100 Peak 6362 from cnoeabs.peaks (2.32, 2.26, 36.25 ppm; 2.40 A): 3 out of 3 assignments used, quality = 1.00: * HG3 GLU 103 + HG2 GLU 103 OK 100 100 - 100 - 1.8=100 HG2 GLU 92 + HG3 GLU 92 OK 53 53 - 100 - 1.8=100 HG3 GLU 89 + HG2 GLU 89 OK 49 49 - 100 - 1.8=100 Peak 6364 from cnoeabs.peaks (4.51, 2.32, 36.25 ppm; 4.88 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 103 + HG3 GLU 103 OK 100 100 - 100 - 4.0=100 Peak 6365 from cnoeabs.peaks (2.09, 2.32, 36.25 ppm; 2.57 A): 4 out of 90 assignments used, quality = 0.85: * HB2 GLU 103 + HG3 GLU 103 OK 67 100 - 67 - 3.0=63, 4.7/662=5, 1683/4.8=5 HB2 GLU 112 + HG2 GLU 112 OK 28 38 - 73 - 3.0=65, 3.0/6625=5...(9) HB3 GLU 112 + HG2 GLU 112 OK 28 38 - 73 - 3.0=65, 3.0/6625=5...(9) HB3 PHE 79 + HG3 GLU 103 OK 13 87 - 15 - ~10206=4, ~10212=3...(5) HB3 GLU 69 - HG2 GLU 92 lone 4 63 - 7 - 5013/1.8=1, ~5007=1, ~5017=1 HB3 GLU 66 - HG2 GLU 92 lone 3 60 - 5 - HG2 GLU 119 - HG2 GLU 92 lone 2 51 - 4 - HB3 GLU 91 - HG2 GLU 92 lone 2 34 - 6 - 4.6/1607=3 HB2 GLU 111 - HG2 GLU 112 lone 2 29 - 7 - 7870/4.9=4, 6623/4.1=1 HB3 GLU 66 - HG3 GLU 89 lone 2 44 - 4 - HB2 GLU 87 - HG3 GLU 103 lone 1 97 - 1 - HB2 GLU 103 - HG2 GLU 92 lone 1 64 - 1 - HB2 GLU 112 - HG3 GLU 103 lone 1 100 - 1 - HB3 GLU 112 - HG3 GLU 103 lone 1 99 - 1 - HB2 GLU 87 - HG3 GLU 89 lone 1 42 - 2 - HB3 GLU 66 - HG3 GLU 103 lone 1 98 - 1 - HB2 GLU 111 - HG3 GLU 89 lone 1 35 - 2 - HB3 GLU 69 - HG3 GLU 89 lone 1 46 - 1 - HG2 GLU 119 - HG3 GLU 103 lone 1 90 - 1 - HB2 GLU 87 - HG2 GLU 92 lone 1 58 - 1 - HB3 GLU 66 - HG2 GLU 112 lone 1 36 - 2 - HB3 GLU 91 - HG3 GLU 103 lone 1 65 - 1 - HB3 GLU 91 - HG3 GLU 89 lone 1 24 - 2 - 4.6/1607=2 HB3 GLU 66 - HG3 GLU 13 lone 0 40 - 1 - HB3 GLU 69 - HG3 GLU 103 lone 0 100 - 0 - HB2 GLU 111 - HG2 GLU 92 lone 0 49 - 1 - HB3 PHE 79 - HG2 GLU 92 lone 0 49 - 1 - HB2 GLU 112 - HG3 GLU 89 lone 0 46 - 1 - HB3 MET 121 - HG3 GLU 103 lone 0 92 - 0 - HG2 GLU 119 - HG3 GLU 89 lone 0 37 - 1 - HB3 GLU 112 - HG3 GLU 89 lone 0 45 - 1 - HB2 GLU 111 - HG3 GLU 103 lone 0 87 - 0 - HB2 GLU 112 - HG2 GLU 92 lone 0 63 - 1 - HB3 GLU 66 - HG3 GLU 48 lone 0 66 - 1 - HB3 GLU 69 - HG2 GLU 112 lone 0 39 - 1 - HB3 PHE 79 - HG3 GLU 89 lone 0 35 - 1 - HB3 GLU 112 - HG2 GLU 92 lone 0 62 - 1 - HB2 LYS 94 - HG3 GLU 103 lone 0 70 - 0 - HB2 GLU 103 - HG3 GLU 89 lone 0 47 - 1 - HB3 GLU 91 - HG3 GLU 13 lone 0 22 - 1 - HB2 GLU 112 - HG3 GLU 48 lone 0 69 - 0 - HB3 GLU 112 - HG3 GLU 48 lone 0 68 - 0 - HB2 GLU 111 - HG3 GLU 48 lone 0 55 - 0 - HB2 LYS 94 - HG2 GLU 92 lone 0 37 - 1 - HB2 GLU 87 - HG2 GLU 112 lone 0 35 - 1 - HB2 GLU 87 - HG3 GLU 48 lone 0 65 - 0 - HG2 GLU 52 - HG3 GLU 103 lone 0 84 - 0 - HB2 GLU 87 - HG3 GLU 13 lone 0 39 - 0 - HG2 GLU 119 - HG3 GLU 13 lone 0 34 - 1 - HB2 GLU 103 - HG3 GLU 48 lone 0 70 - 0 - HB2 GLU 103 - HG2 GLU 112 lone 0 39 - 0 - HB3 MET 121 - HG2 GLU 112 lone 0 32 - 1 - HG3 GLU 21 - HG3 GLU 103 lone 0 70 - 0 - HB3 GLU 69 - HG3 GLU 48 lone 0 70 - 0 - HG2 GLU 119 - HG3 GLU 48 lone 0 57 - 0 - HB3 GLU 91 - HG3 GLU 48 lone 0 39 - 0 - HB3 GLU 69 - HG3 GLU 13 lone 0 42 - 0 - HG2 GLU 21 - HG3 GLU 103 lone 0 61 - 0 - HB3 PHE 79 - HG3 GLU 13 lone 0 32 - 0 - HB2 GLU 112 - HG3 GLU 13 lone 0 42 - 0 - HB3 MET 121 - HG2 GLU 92 lone 0 53 - 0 - HB3 GLU 112 - HG3 GLU 13 lone 0 42 - 0 - HG2 GLU 52 - HG3 GLU 48 lone 0 52 - 0 - HB2 GLU 103 - HG3 GLU 13 lone 0 43 - 0 - HG2 GLU 119 - HG2 GLU 112 lone 0 31 - 0 - HB3 MET 121 - HG3 GLU 48 lone 0 59 - 0 - HB3 MET 121 - HG3 GLU 13 lone 0 35 - 0 - HB3 PHE 79 - HG3 GLU 48 lone 0 55 - 0 - HB3 PHE 79 - HG2 GLU 112 lone 0 29 - 0 - HG2 GLU 52 - HG2 GLU 92 lone 0 47 - 0 - HG3 GLU 21 - HG3 GLU 48 lone 0 41 - 0 - HB2 LYS 94 - HG3 GLU 48 lone 0 41 - 0 - HG3 GLU 21 - HG2 GLU 92 lone 0 37 - 0 - HB3 MET 121 - HG3 GLU 89 lone 0 38 - 0 - HG2 GLU 21 - HG3 GLU 48 lone 0 36 - 0 - HB2 GLU 111 - HG3 GLU 13 lone 0 32 - 0 - HB2 LYS 94 - HG3 GLU 89 lone 0 26 - 0 - HB2 LYS 94 - HG3 GLU 13 lone 0 24 - 0 - HG2 GLU 21 - HG2 GLU 92 lone 0 32 - 0 - HG2 GLU 52 - HG3 GLU 89 lone 0 33 - 0 - HG2 GLU 52 - HG2 GLU 112 lone 0 28 - 0 - HG2 GLU 52 - HG3 GLU 13 lone 0 31 - 0 - HB3 GLU 91 - HG2 GLU 112 lone 0 20 - 0 - HG3 GLU 21 - HG3 GLU 89 lone 0 26 - 0 - HG3 GLU 21 - HG2 GLU 112 lone 0 22 - 0 - HB2 LYS 94 - HG2 GLU 112 lone 0 22 - 0 - HG2 GLU 21 - HG3 GLU 89 lone 0 23 - 0 - HG3 GLU 21 - HG3 GLU 13 lone 0 24 - 0 - HG2 GLU 21 - HG2 GLU 112 lone 0 19 - 0 - HG2 GLU 21 - HG3 GLU 13 lone 0 21 - 0 - Peak 6366 from cnoeabs.peaks (1.99, 2.32, 36.25 ppm; 3.07 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 103 + HG3 GLU 103 OK 100 100 - 100 - 3.0=100 Peak 6367 from cnoeabs.peaks (2.26, 2.32, 36.25 ppm; 2.40 A): 2 out of 3 assignments used, quality = 1.00: * HG2 GLU 103 + HG3 GLU 103 OK 100 100 - 100 - 1.8=100 HG3 GLU 92 + HG2 GLU 92 OK 55 55 - 100 - 1.8=100 HG2 GLU 89 - HG3 GLU 89 OK 42 42 - 100 - 1.8=100 Peak 6368 from cnoeabs.peaks (2.32, 2.32, 36.25 ppm; diagonal): 3 out of 6 assignments used, quality = 1.00: * HG3 GLU 103 + HG3 GLU 103 OK 100 100 - 100 HG3 GLU 48 + HG3 GLU 48 OK 68 68 - 100 HG2 GLU 92 + HG2 GLU 92 OK 58 58 - 100 HG3 GLU 89 - HG3 GLU 89 OK 35 35 - 100 HG3 GLU 13 - HG3 GLU 13 OK 31 31 - 100 HG2 GLU 112 - HG2 GLU 112 OK 26 26 - 100 Peak 6369 from cnoeabs.peaks (8.65, 5.23, 59.28 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 104 + HA VAL 104 OK 100 100 - 100 - 3.0=100 Peak 6370 from cnoeabs.peaks (5.23, 5.23, 59.28 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 104 + HA VAL 104 OK 100 100 - 100 Peak 6371 from cnoeabs.peaks (1.95, 5.23, 59.28 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 104 + HA VAL 104 OK 100 100 - 100 - 3.0=100 Peak 6372 from cnoeabs.peaks (0.93, 5.23, 59.28 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 104 + HA VAL 104 OK 100 100 - 100 - 3.2=100 Peak 6373 from cnoeabs.peaks (0.88, 5.23, 59.28 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 104 + HA VAL 104 OK 100 100 - 100 - 3.2=100 Peak 6374 from cnoeabs.peaks (8.65, 1.95, 34.17 ppm; 3.91 A): 1 out of 4 assignments used, quality = 0.99: * H VAL 104 + HB VAL 104 OK 99 100 - 99 - 3.9=97, 1690/2.1=36...(5) H GLU 98 - HB VAL 104 OK 28 61 - 46 - 6379/2.1=11, ~10161=11...(8) H GLU 87 - HB VAL 104 lone 9 94 - 10 - 6384/2.1=5, 6379/2.1=3, ~10054=1 H ASN 8 - HB VAL 104 lone 1 70 - 1 - Peak 6375 from cnoeabs.peaks (5.23, 1.95, 34.17 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 104 + HB VAL 104 OK 100 100 - 100 - 3.0=100 Peak 6376 from cnoeabs.peaks (1.95, 1.95, 34.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB VAL 104 + HB VAL 104 OK 100 100 - 100 Peak 6377 from cnoeabs.peaks (0.93, 1.95, 34.17 ppm; 3.13 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 104 + HB VAL 104 OK 100 100 - 100 - 2.1=100 Peak 6378 from cnoeabs.peaks (0.88, 1.95, 34.17 ppm; 3.12 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 104 + HB VAL 104 OK 100 100 - 100 - 2.1=100 Peak 6379 from cnoeabs.peaks (8.65, 0.93, 20.69 ppm; 3.41 A): 3 out of 4 assignments used, quality = 0.92: * H VAL 104 + QG1 VAL 104 OK 86 100 - 86 - 3.9=67, 1691/2.1=29...(5) H GLU 98 + QG1 VAL 104 OK 39 61 - 63 - 4.1/10230=10...(15) H GLU 87 + QG1 VAL 104 OK 10 94 - 11 - 6384/2.1=4, 4.7/11511=3...(5) H ASN 8 - QG1 VAL 104 lone 1 70 - 1 - Peak 6380 from cnoeabs.peaks (5.23, 0.93, 20.69 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 104 + QG1 VAL 104 OK 100 100 - 100 - 3.2=100 Peak 6381 from cnoeabs.peaks (1.95, 0.93, 20.69 ppm; 3.11 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 104 + QG1 VAL 104 OK 100 100 - 100 - 2.1=100 Peak 6382 from cnoeabs.peaks (0.93, 0.93, 20.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 104 + QG1 VAL 104 OK 100 100 - 100 Peak 6383 from cnoeabs.peaks (0.88, 0.93, 20.69 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 104 + QG1 VAL 104 OK 100 100 - 100 - 2.1=100 Peak 6384 from cnoeabs.peaks (8.65, 0.88, 22.01 ppm; 3.70 A): 1 out of 8 assignments used, quality = 0.95: * H VAL 104 + QG2 VAL 104 OK 95 100 - 95 - 3.9=85, 1690/2.1=34...(5) H GLU 98 - QG2 VAL 104 OK 30 61 - 50 - 3.0/10161=18...(9) H GLU 87 - QG2 VAL 104 OK 20 94 - 21 - 4.7/11510=6, 10050=3...(7) H VAL 104 - QG2 VAL 29 lone 2 64 - 3 - 1691=1 H GLU 87 - QG2 VAL 29 lone 1 55 - 1 - H ASN 8 - QG2 VAL 104 lone 1 70 - 1 - H GLU 98 - QG2 VAL 29 lone 0 32 - 2 - H ASN 8 - QG2 VAL 29 lone 0 37 - 0 - Peak 6385 from cnoeabs.peaks (5.23, 0.88, 22.01 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 104 + QG2 VAL 104 OK 100 100 - 100 - 3.2=100 Peak 6386 from cnoeabs.peaks (1.95, 0.88, 22.01 ppm; 2.81 A): 2 out of 2 assignments used, quality = 1.00: * HB VAL 104 + QG2 VAL 104 OK 100 100 - 100 - 2.1=100 HB VAL 29 + QG2 VAL 29 OK 58 58 - 100 - 2.1=100 Peak 6387 from cnoeabs.peaks (0.93, 0.88, 22.01 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 104 + QG2 VAL 104 OK 100 100 - 100 - 2.1=100 Peak 6388 from cnoeabs.peaks (0.88, 0.88, 22.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QG2 VAL 104 + QG2 VAL 104 OK 100 100 - 100 QG2 VAL 29 + QG2 VAL 29 OK 49 49 - 100 Peak 6390 from cnoeabs.peaks (4.92, 4.92, 52.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 105 + HA ARG 105 OK 100 100 - 100 Peak 6391 from cnoeabs.peaks (1.86, 4.92, 52.47 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 105 + HA ARG 105 OK 100 100 - 100 - 3.0=100 Peak 6392 from cnoeabs.peaks (1.82, 4.92, 52.47 ppm; 4.07 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 105 + HA ARG 105 OK 100 100 - 100 - 3.0=100 HG2 ARG 105 + HA ARG 105 OK 90 90 - 100 - 4.0=100 Peak 6393 from cnoeabs.peaks (1.80, 4.92, 52.47 ppm; 4.21 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 105 + HA ARG 105 OK 100 100 - 100 - 4.0=100 HB3 ARG 105 + HA ARG 105 OK 90 90 - 100 - 3.0=100 Peak 6394 from cnoeabs.peaks (1.75, 4.92, 52.47 ppm; 5.21 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 105 + HA ARG 105 OK 100 100 - 100 - 4.0=100 Peak 6396 from cnoeabs.peaks (3.34, 4.92, 52.47 ppm; 4.02 A): 1 out of 2 assignments used, quality = 0.81: * HD3 ARG 105 + HA ARG 105 OK 81 100 - 81 - 6438=42, 1.8/6430=32...(8) HD2 ARG 30 - HA ARG 105 lone 1 98 - 1 - Peak 6397 from cnoeabs.peaks (8.71, 1.86, 32.95 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 105 + HB2 ARG 105 OK 100 100 - 100 - 4.1=100 Peak 6398 from cnoeabs.peaks (4.92, 1.86, 32.95 ppm; 5.34 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 105 + HB2 ARG 105 OK 100 100 - 100 - 3.0=100 Peak 6399 from cnoeabs.peaks (1.86, 1.86, 32.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 105 + HB2 ARG 105 OK 100 100 - 100 Peak 6400 from cnoeabs.peaks (1.82, 1.86, 32.95 ppm; 3.23 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 105 + HB2 ARG 105 OK 100 100 - 100 - 1.8=100 HG2 ARG 105 + HB2 ARG 105 OK 90 90 - 100 - 3.0=100 Peak 6401 from cnoeabs.peaks (1.80, 1.86, 32.95 ppm; 3.31 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 105 + HB2 ARG 105 OK 100 100 - 100 - 3.0=100 HB3 ARG 105 + HB2 ARG 105 OK 90 90 - 100 - 1.8=100 Peak 6402 from cnoeabs.peaks (1.75, 1.86, 32.95 ppm; 3.47 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 105 + HB2 ARG 105 OK 100 100 - 100 - 3.0=100 Peak 6404 from cnoeabs.peaks (3.34, 1.86, 32.95 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 105 + HB2 ARG 105 OK 100 100 - 100 - 3.8=100 Peak 6405 from cnoeabs.peaks (8.71, 1.82, 32.95 ppm; 6.06 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 105 + HB3 ARG 105 OK 100 100 - 100 - 4.1=100 Peak 6406 from cnoeabs.peaks (4.92, 1.82, 32.95 ppm; 5.47 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 105 + HB3 ARG 105 OK 100 100 - 100 - 3.0=100 Peak 6407 from cnoeabs.peaks (1.86, 1.82, 32.95 ppm; 3.24 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 105 + HB3 ARG 105 OK 100 100 - 100 - 1.8=100 Peak 6408 from cnoeabs.peaks (1.82, 1.82, 32.95 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 105 + HB3 ARG 105 OK 100 100 - 100 Peak 6409 from cnoeabs.peaks (1.80, 1.82, 32.95 ppm; diagonal): 1 out of 1 assignment used, quality = 0.90: HB3 ARG 105 + HB3 ARG 105 OK 90 90 - 100 Reference assignment not found: HG2 ARG 105 - HB3 ARG 105 Peak 6410 from cnoeabs.peaks (1.75, 1.82, 32.95 ppm; 3.16 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 105 + HB3 ARG 105 OK 100 100 - 100 - 3.0=100 Peak 6411 from cnoeabs.peaks (3.52, 1.82, 32.95 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 105 + HB3 ARG 105 OK 100 100 - 100 - 3.8=100 Peak 6413 from cnoeabs.peaks (8.71, 1.80, 26.58 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 105 + HG2 ARG 105 OK 100 100 - 100 - 4.9=100 Peak 6414 from cnoeabs.peaks (4.92, 1.80, 26.58 ppm; 5.59 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 105 + HG2 ARG 105 OK 100 100 - 100 - 4.0=100 Peak 6415 from cnoeabs.peaks (1.86, 1.80, 26.58 ppm; 2.90 A): 1 out of 10 assignments used, quality = 0.95: * HB2 ARG 105 + HG2 ARG 105 OK 95 100 - 95 - 3.0=93, 1694/4.9=8...(7) HB3 ARG 118 - HG2 ARG 105 lone 1 81 - 2 - QE MET 42 - HG2 ARG 105 lone 1 94 - 1 - HB2 LEU 63 - HG2 ARG 105 lone 0 81 - 1 - HD2 LYS 123 - HG2 ARG 105 lone 0 81 - 1 - HG LEU 127 - HG2 ARG 105 lone 0 100 - 0 - HG LEU 70 - HG2 ARG 105 lone 0 94 - 0 - HB2 LYS 77 - HG2 ARG 105 lone 0 81 - 0 - HB3 LYS 77 - HG2 ARG 105 lone 0 73 - 0 - HG2 ARG 95 - HG2 ARG 105 lone 0 61 - 0 - Peak 6416 from cnoeabs.peaks (1.82, 1.80, 26.58 ppm; diagonal): 1 out of 1 assignment used, quality = 0.90: HG2 ARG 105 + HG2 ARG 105 OK 90 90 - 100 Reference assignment not found: HB3 ARG 105 - HG2 ARG 105 Peak 6417 from cnoeabs.peaks (1.80, 1.80, 26.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 105 + HG2 ARG 105 OK 100 100 - 100 Peak 6418 from cnoeabs.peaks (1.75, 1.80, 26.58 ppm; 3.13 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 105 + HG2 ARG 105 OK 100 100 - 100 - 1.8=100 Peak 6419 from cnoeabs.peaks (3.52, 1.80, 26.58 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 105 + HG2 ARG 105 OK 100 100 - 100 - 3.0=100 Peak 6420 from cnoeabs.peaks (3.34, 1.80, 26.58 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 105 + HG2 ARG 105 OK 100 100 - 100 - 3.0=100 Peak 6421 from cnoeabs.peaks (8.71, 1.75, 26.58 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 105 + HG3 ARG 105 OK 100 100 - 100 - 4.9=100 Peak 6422 from cnoeabs.peaks (4.92, 1.75, 26.58 ppm; 5.48 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 105 + HG3 ARG 105 OK 100 100 - 100 - 4.0=100 Peak 6423 from cnoeabs.peaks (1.86, 1.75, 26.58 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 105 + HG3 ARG 105 OK 100 100 - 100 - 3.0=100 Peak 6424 from cnoeabs.peaks (1.82, 1.75, 26.58 ppm; 3.30 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 105 + HG3 ARG 105 OK 100 100 - 100 - 3.0=100 HG2 ARG 105 + HG3 ARG 105 OK 90 90 - 100 - 1.8=100 Peak 6425 from cnoeabs.peaks (1.80, 1.75, 26.58 ppm; 3.19 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 105 + HG3 ARG 105 OK 100 100 - 100 - 1.8=100 HB3 ARG 105 + HG3 ARG 105 OK 90 90 - 100 - 3.0=100 Peak 6426 from cnoeabs.peaks (1.75, 1.75, 26.58 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 105 + HG3 ARG 105 OK 100 100 - 100 Peak 6427 from cnoeabs.peaks (3.52, 1.75, 26.58 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 105 + HG3 ARG 105 OK 100 100 - 100 - 3.0=100 Peak 6428 from cnoeabs.peaks (3.34, 1.75, 26.58 ppm; 5.15 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 105 + HG3 ARG 105 OK 100 100 - 100 - 3.0=100 Peak 6430 from cnoeabs.peaks (4.92, 3.52, 41.44 ppm; 3.95 A): 1 out of 3 assignments used, quality = 0.80: * HA ARG 105 + HD2 ARG 105 OK 80 100 - 80 - 5.4=38, 6396/1.8=36...(8) HA LEU 82 - HD2 ARG 105 lone 8 99 - 8 - 6438/1.8=3, 669/674=2...(4) HA ILE 57 - HD2 ARG 105 lone 8 100 - 8 - 6438/1.8=3, 11333/2.9=2 Peak 6431 from cnoeabs.peaks (1.86, 3.52, 41.44 ppm; 3.95 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 105 + HD2 ARG 105 OK 100 100 - 100 - 3.8=100 Peak 6432 from cnoeabs.peaks (1.82, 3.52, 41.44 ppm; 3.79 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 105 + HD2 ARG 105 OK 100 100 - 100 - 3.8=100 HG2 ARG 105 + HD2 ARG 105 OK 90 90 - 100 - 3.0=100 Peak 6433 from cnoeabs.peaks (1.80, 3.52, 41.44 ppm; 3.79 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 105 + HD2 ARG 105 OK 100 100 - 100 - 3.0=100 HB3 ARG 105 + HD2 ARG 105 OK 90 90 - 100 - 3.8=100 Peak 6434 from cnoeabs.peaks (1.75, 3.52, 41.44 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 105 + HD2 ARG 105 OK 100 100 - 100 - 3.0=100 Peak 6435 from cnoeabs.peaks (3.52, 3.52, 41.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 105 + HD2 ARG 105 OK 100 100 - 100 Peak 6436 from cnoeabs.peaks (3.34, 3.52, 41.44 ppm; 3.06 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 105 + HD2 ARG 105 OK 100 100 - 100 - 1.8=100 Peak 6437 from cnoeabs.peaks (8.71, 3.34, 41.44 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 105 + HD3 ARG 105 OK 100 100 - 100 - 6.0=100 Peak 6438 from cnoeabs.peaks (4.92, 3.34, 41.44 ppm; 3.84 A): 1 out of 3 assignments used, quality = 0.79: * HA ARG 105 + HD3 ARG 105 OK 79 100 - 79 - 6396=43, 6430/1.8=30...(8) HA LEU 82 - HD3 ARG 105 lone 8 99 - 8 - 6430/1.8=3, 669/675=2...(4) HA ILE 57 - HD3 ARG 105 lone 8 100 - 8 - 6430/1.8=3, 3.6/7846=2 Peak 6439 from cnoeabs.peaks (1.86, 3.34, 41.44 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 105 + HD3 ARG 105 OK 100 100 - 100 - 3.8=100 Peak 6440 from cnoeabs.peaks (1.82, 3.34, 41.44 ppm; 3.84 A): 2 out of 2 assignments used, quality = 1.00: * HB3 ARG 105 + HD3 ARG 105 OK 100 100 - 100 - 3.8=100 HG2 ARG 105 + HD3 ARG 105 OK 90 90 - 100 - 3.0=100 Peak 6441 from cnoeabs.peaks (1.80, 3.34, 41.44 ppm; 3.81 A): 2 out of 2 assignments used, quality = 1.00: * HG2 ARG 105 + HD3 ARG 105 OK 100 100 - 100 - 3.0=100 HB3 ARG 105 + HD3 ARG 105 OK 90 90 - 100 - 3.8=100 Peak 6442 from cnoeabs.peaks (1.75, 3.34, 41.44 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 105 + HD3 ARG 105 OK 100 100 - 100 - 3.0=100 Peak 6443 from cnoeabs.peaks (3.52, 3.34, 41.44 ppm; 3.02 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 105 + HD3 ARG 105 OK 100 100 - 100 - 1.8=100 Peak 6444 from cnoeabs.peaks (3.34, 3.34, 41.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 105 + HD3 ARG 105 OK 100 100 - 100 Peak 6445 from cnoeabs.peaks (8.81, 5.58, 53.87 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 106 + HA LYS 106 OK 100 100 - 100 - 3.0=100 Peak 6446 from cnoeabs.peaks (5.58, 5.58, 53.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 106 + HA LYS 106 OK 100 100 - 100 Peak 6447 from cnoeabs.peaks (1.72, 5.58, 53.87 ppm; 3.50 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 106 + HA LYS 106 OK 100 100 - 100 - 3.0=100 HB3 LYS 106 + HA LYS 106 OK 100 100 - 100 - 3.0=100 Peak 6448 from cnoeabs.peaks (1.71, 5.58, 53.87 ppm; 3.50 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 106 + HA LYS 106 OK 100 100 - 100 - 3.0=100 HB2 LYS 106 + HA LYS 106 OK 100 100 - 100 - 3.0=100 Peak 6449 from cnoeabs.peaks (1.46, 5.58, 53.87 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 106 + HA LYS 106 OK 100 100 - 100 - 3.9=100 Peak 6450 from cnoeabs.peaks (1.40, 5.58, 53.87 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 106 + HA LYS 106 OK 100 100 - 100 - 3.9=100 Peak 6451 from cnoeabs.peaks (1.56, 5.58, 53.87 ppm; 4.69 A): 2 out of 11 assignments used, quality = 1.00: * HD2 LYS 106 + HA LYS 106 OK 95 100 - 95 - 5.3=70, ~6485=16...(22) HD3 LYS 106 + HA LYS 106 OK 95 100 - 95 - 5.3=70, ~6485=16...(22) HG12 ILE 3 - HA LYS 106 lone 4 100 - 3 - HG LEU 55 - HA LYS 106 lone 3 99 - 3 - HG2 LYS 123 - HA LYS 106 lone 2 81 - 3 - HB VAL 78 - HA LYS 106 lone 2 99 - 2 - HG2 LYS 115 - HA LYS 106 lone 1 100 - 1 - HB3 LEU 70 - HA LYS 106 lone 1 94 - 1 - HG3 LYS 96 - HA LYS 106 lone 1 94 - 1 - HG2 LYS 65 - HA LYS 106 lone 1 87 - 1 - QB ALA 46 - HA LYS 106 lone 1 90 - 1 - Peak 6455 from cnoeabs.peaks (8.81, 1.72, 35.30 ppm; 4.43 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 106 + HB2 LYS 106 OK 100 100 - 100 - 4.0=100 H LYS 106 + HB3 LYS 106 OK 100 100 - 100 - 4.0=100 Peak 6456 from cnoeabs.peaks (5.58, 1.72, 35.30 ppm; 4.02 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 106 + HB2 LYS 106 OK 100 100 - 100 - 3.0=100 HA LYS 106 + HB3 LYS 106 OK 100 100 - 100 - 3.0=100 Peak 6457 from cnoeabs.peaks (1.72, 1.72, 35.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 106 + HB2 LYS 106 OK 100 100 - 100 HB3 LYS 106 + HB3 LYS 106 OK 100 100 - 100 Peak 6458 from cnoeabs.peaks (1.71, 1.72, 35.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 LYS 106 + HB2 LYS 106 OK 100 100 - 100 HB3 LYS 106 + HB3 LYS 106 OK 100 100 - 100 Reference assignment not found: HB3 LYS 106 - HB2 LYS 106 Peak 6459 from cnoeabs.peaks (1.46, 1.72, 35.30 ppm; 4.06 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 106 + HB2 LYS 106 OK 100 100 - 100 - 2.9=100 HG2 LYS 106 + HB3 LYS 106 OK 100 100 - 100 - 2.9=100 Peak 6460 from cnoeabs.peaks (1.40, 1.72, 35.30 ppm; 4.11 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 106 + HB2 LYS 106 OK 100 100 - 100 - 2.9=100 HG3 LYS 106 + HB3 LYS 106 OK 100 100 - 100 - 2.9=100 Peak 6461 from cnoeabs.peaks (1.56, 1.72, 35.30 ppm; 4.20 A): 4 out of 4 assignments used, quality = 1.00: * HD2 LYS 106 + HB2 LYS 106 OK 100 100 - 100 - 3.6=100 HD3 LYS 106 + HB2 LYS 106 OK 100 100 - 100 - 3.6=100 HD2 LYS 106 + HB3 LYS 106 OK 100 100 - 100 - 3.6=100 HD3 LYS 106 + HB3 LYS 106 OK 100 100 - 100 - 3.6=100 Peak 6462 from cnoeabs.peaks (1.56, 1.72, 35.30 ppm; 4.20 A): 4 out of 4 assignments used, quality = 1.00: * HD3 LYS 106 + HB2 LYS 106 OK 100 100 - 100 - 3.6=100 HD2 LYS 106 + HB2 LYS 106 OK 100 100 - 100 - 3.6=100 HD3 LYS 106 + HB3 LYS 106 OK 100 100 - 100 - 3.6=100 HD2 LYS 106 + HB3 LYS 106 OK 100 100 - 100 - 3.6=100 Peak 6463 from cnoeabs.peaks (2.95, 1.72, 35.30 ppm; 5.46 A): 4 out of 4 assignments used, quality = 1.00: * HE2 LYS 106 + HB2 LYS 106 OK 100 100 - 100 - 5.1=100 HE3 LYS 106 + HB2 LYS 106 OK 100 100 - 100 - 5.1=100 HE2 LYS 106 + HB3 LYS 106 OK 100 100 - 100 - 5.1=100 HE3 LYS 106 + HB3 LYS 106 OK 100 100 - 100 - 5.1=100 Peak 6464 from cnoeabs.peaks (2.95, 1.72, 35.30 ppm; 5.46 A): 4 out of 4 assignments used, quality = 1.00: * HE3 LYS 106 + HB2 LYS 106 OK 100 100 - 100 - 5.1=100 HE2 LYS 106 + HB2 LYS 106 OK 100 100 - 100 - 5.1=100 HE3 LYS 106 + HB3 LYS 106 OK 100 100 - 100 - 5.1=100 HE2 LYS 106 + HB3 LYS 106 OK 100 100 - 100 - 5.1=100 Peak 6465 from cnoeabs.peaks (8.81, 1.71, 35.30 ppm; 4.46 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 106 + HB3 LYS 106 OK 100 100 - 100 - 4.0=100 H LYS 106 + HB2 LYS 106 OK 100 100 - 100 - 4.0=100 Peak 6466 from cnoeabs.peaks (5.58, 1.71, 35.30 ppm; 3.97 A): 2 out of 2 assignments used, quality = 1.00: * HA LYS 106 + HB3 LYS 106 OK 100 100 - 100 - 3.0=100 HA LYS 106 + HB2 LYS 106 OK 100 100 - 100 - 3.0=100 Peak 6467 from cnoeabs.peaks (1.72, 1.71, 35.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 LYS 106 + HB3 LYS 106 OK 100 100 - 100 HB2 LYS 106 + HB2 LYS 106 OK 100 100 - 100 Reference assignment not found: HB2 LYS 106 - HB3 LYS 106 Peak 6468 from cnoeabs.peaks (1.71, 1.71, 35.30 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 106 + HB3 LYS 106 OK 100 100 - 100 HB2 LYS 106 + HB2 LYS 106 OK 100 100 - 100 Peak 6469 from cnoeabs.peaks (1.46, 1.71, 35.30 ppm; 3.95 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 106 + HB3 LYS 106 OK 100 100 - 100 - 2.9=100 HG2 LYS 106 + HB2 LYS 106 OK 100 100 - 100 - 2.9=100 Peak 6470 from cnoeabs.peaks (1.40, 1.71, 35.30 ppm; 4.10 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 106 + HB3 LYS 106 OK 100 100 - 100 - 2.9=100 HG3 LYS 106 + HB2 LYS 106 OK 100 100 - 100 - 2.9=100 Peak 6471 from cnoeabs.peaks (1.56, 1.71, 35.30 ppm; 4.16 A): 4 out of 4 assignments used, quality = 1.00: * HD2 LYS 106 + HB3 LYS 106 OK 100 100 - 100 - 3.6=100 HD3 LYS 106 + HB3 LYS 106 OK 100 100 - 100 - 3.6=100 HD2 LYS 106 + HB2 LYS 106 OK 100 100 - 100 - 3.6=100 HD3 LYS 106 + HB2 LYS 106 OK 100 100 - 100 - 3.6=100 Peak 6472 from cnoeabs.peaks (1.56, 1.71, 35.30 ppm; 4.16 A): 4 out of 4 assignments used, quality = 1.00: * HD3 LYS 106 + HB3 LYS 106 OK 100 100 - 100 - 3.6=100 HD2 LYS 106 + HB3 LYS 106 OK 100 100 - 100 - 3.6=100 HD3 LYS 106 + HB2 LYS 106 OK 100 100 - 100 - 3.6=100 HD2 LYS 106 + HB2 LYS 106 OK 100 100 - 100 - 3.6=100 Peak 6473 from cnoeabs.peaks (2.95, 1.71, 35.30 ppm; 5.16 A): 4 out of 4 assignments used, quality = 1.00: * HE2 LYS 106 + HB3 LYS 106 OK 100 100 - 100 - 5.1=100 HE3 LYS 106 + HB3 LYS 106 OK 100 100 - 100 - 5.1=100 HE2 LYS 106 + HB2 LYS 106 OK 100 100 - 100 - 5.1=100 HE3 LYS 106 + HB2 LYS 106 OK 100 100 - 100 - 5.1=100 Peak 6474 from cnoeabs.peaks (2.95, 1.71, 35.30 ppm; 5.16 A): 4 out of 4 assignments used, quality = 1.00: * HE3 LYS 106 + HB3 LYS 106 OK 100 100 - 100 - 5.1=100 HE2 LYS 106 + HB3 LYS 106 OK 100 100 - 100 - 5.1=100 HE3 LYS 106 + HB2 LYS 106 OK 100 100 - 100 - 5.1=100 HE2 LYS 106 + HB2 LYS 106 OK 100 100 - 100 - 5.1=100 Peak 6475 from cnoeabs.peaks (8.81, 1.46, 24.00 ppm; 4.62 A): 1 out of 5 assignments used, quality = 0.95: * H LYS 106 + HG2 LYS 106 OK 95 100 - 95 - 5.0=77, 6485/1.8=36...(12) H SER 58 - HG2 LYS 106 lone 9 100 - 9 - 349=3, 4.7/7850=3, 6485/1.8=2 H ASN 59 - HG2 LYS 106 lone 3 84 - 3 - 4.6/349=2 H ILE 54 - HG2 LYS 106 lone 2 100 - 2 - H PHE 120 - HG2 LYS 106 lone 1 61 - 1 - Peak 6476 from cnoeabs.peaks (5.58, 1.46, 24.00 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 106 + HG2 LYS 106 OK 100 100 - 100 - 3.9=100 Peak 6477 from cnoeabs.peaks (1.72, 1.46, 24.00 ppm; 3.02 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 106 + HG2 LYS 106 OK 100 100 - 100 - 2.9=100 HB3 LYS 106 + HG2 LYS 106 OK 100 100 - 100 - 2.9=100 Peak 6478 from cnoeabs.peaks (1.71, 1.46, 24.00 ppm; 3.02 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 106 + HG2 LYS 106 OK 100 100 - 100 - 2.9=100 HB2 LYS 106 + HG2 LYS 106 OK 100 100 - 100 - 2.9=100 Peak 6479 from cnoeabs.peaks (1.46, 1.46, 24.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 106 + HG2 LYS 106 OK 100 100 - 100 Peak 6480 from cnoeabs.peaks (1.40, 1.46, 24.00 ppm; 2.60 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 106 + HG2 LYS 106 OK 100 100 - 100 - 1.8=100 Peak 6481 from cnoeabs.peaks (1.56, 1.46, 24.00 ppm; 3.39 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 106 + HG2 LYS 106 OK 100 100 - 100 - 3.0=100 HD3 LYS 106 + HG2 LYS 106 OK 100 100 - 100 - 3.0=100 Peak 6482 from cnoeabs.peaks (1.56, 1.46, 24.00 ppm; 3.39 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 106 + HG2 LYS 106 OK 100 100 - 100 - 3.0=100 HD2 LYS 106 + HG2 LYS 106 OK 100 100 - 100 - 3.0=100 Peak 6483 from cnoeabs.peaks (2.95, 1.46, 24.00 ppm; 3.99 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 106 + HG2 LYS 106 OK 100 100 - 100 - 3.6=100 HE3 LYS 106 + HG2 LYS 106 OK 100 100 - 100 - 3.6=100 Peak 6484 from cnoeabs.peaks (2.95, 1.46, 24.00 ppm; 3.99 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 106 + HG2 LYS 106 OK 100 100 - 100 - 3.6=100 HE2 LYS 106 + HG2 LYS 106 OK 100 100 - 100 - 3.6=100 Peak 6485 from cnoeabs.peaks (8.81, 1.40, 24.00 ppm; 4.55 A): 1 out of 5 assignments used, quality = 0.94: * H LYS 106 + HG3 LYS 106 OK 94 100 - 94 - 5.0=74, 6475/1.8=33...(12) H SER 58 - HG3 LYS 106 lone 6 100 - 6 - 6475/1.8=3, 4.7/7851=2 H ASN 59 - HG3 LYS 106 lone 2 84 - 2 - H ILE 54 - HG3 LYS 106 lone 1 100 - 1 - H PHE 120 - HG3 LYS 106 lone 1 61 - 1 - Peak 6486 from cnoeabs.peaks (5.58, 1.40, 24.00 ppm; 4.93 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 106 + HG3 LYS 106 OK 100 100 - 100 - 3.9=100 Peak 6487 from cnoeabs.peaks (1.72, 1.40, 24.00 ppm; 3.59 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 106 + HG3 LYS 106 OK 100 100 - 100 - 2.9=100 HB3 LYS 106 + HG3 LYS 106 OK 100 100 - 100 - 2.9=100 Peak 6488 from cnoeabs.peaks (1.71, 1.40, 24.00 ppm; 3.59 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 106 + HG3 LYS 106 OK 100 100 - 100 - 2.9=100 HB2 LYS 106 + HG3 LYS 106 OK 100 100 - 100 - 2.9=100 Peak 6489 from cnoeabs.peaks (1.46, 1.40, 24.00 ppm; 2.67 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 106 + HG3 LYS 106 OK 100 100 - 100 - 1.8=100 Peak 6490 from cnoeabs.peaks (1.40, 1.40, 24.00 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 106 + HG3 LYS 106 OK 100 100 - 100 Peak 6491 from cnoeabs.peaks (1.56, 1.40, 24.00 ppm; 3.56 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 106 + HG3 LYS 106 OK 100 100 - 100 - 3.0=100 HD3 LYS 106 + HG3 LYS 106 OK 100 100 - 100 - 3.0=100 Peak 6492 from cnoeabs.peaks (1.56, 1.40, 24.00 ppm; 3.56 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 106 + HG3 LYS 106 OK 100 100 - 100 - 3.0=100 HD2 LYS 106 + HG3 LYS 106 OK 100 100 - 100 - 3.0=100 Peak 6493 from cnoeabs.peaks (2.95, 1.40, 24.00 ppm; 4.02 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 106 + HG3 LYS 106 OK 100 100 - 100 - 3.6=100 HE3 LYS 106 + HG3 LYS 106 OK 100 100 - 100 - 3.6=100 Peak 6494 from cnoeabs.peaks (2.95, 1.40, 24.00 ppm; 4.02 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 106 + HG3 LYS 106 OK 100 100 - 100 - 3.6=100 HE2 LYS 106 + HG3 LYS 106 OK 100 100 - 100 - 3.6=100 Peak 6495 from cnoeabs.peaks (8.81, 1.56, 29.23 ppm; 6.20 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 106 + HD2 LYS 106 OK 100 100 - 100 - 6.1=100 H LYS 106 + HD3 LYS 106 OK 100 100 - 100 - 6.1=100 Peak 6497 from cnoeabs.peaks (1.72, 1.56, 29.23 ppm; 3.04 A): 4 out of 28 assignments used, quality = 1.00: * HB2 LYS 106 + HD2 LYS 106 OK 76 100 - 76 - 3.6=61, 3.0/6451=6...(14) HB2 LYS 106 + HD3 LYS 106 OK 76 100 - 76 - 3.6=61, 3.0/6451=6...(14) HB3 LYS 106 + HD2 LYS 106 OK 76 100 - 76 - 3.6=61, 3.0/6451=6...(14) HB3 LYS 106 + HD3 LYS 106 OK 76 100 - 76 - 3.6=61, 3.0/6451=6...(14) HB3 LEU 90 - HD2 LYS 106 OK 19 98 - 19 - ~11568=4, ~11572=3...(9) HB3 LEU 90 - HD3 LYS 106 OK 19 98 - 19 - ~11568=4, ~11572=3...(9) HG12 ILE 15 - HD2 LYS 106 lone 1 92 - 1 - HG12 ILE 15 - HD3 LYS 106 lone 1 92 - 1 - HD2 LYS 39 - HD2 LYS 106 lone 1 90 - 1 - HD2 LYS 39 - HD3 LYS 106 lone 1 89 - 1 - HD3 LYS 39 - HD2 LYS 106 lone 1 87 - 1 - HD3 LYS 39 - HD3 LYS 106 lone 1 87 - 1 - HD3 LYS 44 - HD2 LYS 106 lone 1 81 - 1 - HD3 LYS 44 - HD3 LYS 106 lone 1 80 - 1 - HD2 LYS 44 - HD2 LYS 106 lone 1 73 - 1 - HD2 LYS 44 - HD3 LYS 106 lone 1 73 - 1 - HB2 LEU 114 - HD2 LYS 106 lone 1 61 - 1 - HB2 LEU 114 - HD3 LYS 106 lone 1 61 - 1 - HG2 ARG 118 - HD2 LYS 106 lone 0 84 - 0 - HG2 ARG 118 - HD3 LYS 106 lone 0 84 - 0 - HG3 LYS 39 - HD2 LYS 106 lone 0 65 - 1 - HG3 LYS 39 - HD3 LYS 106 lone 0 65 - 1 - HG3 LYS 123 - HD3 LYS 106 lone 0 65 - 1 - HG3 LYS 123 - HD2 LYS 106 lone 0 65 - 1 - HB3 LYS 94 - HD2 LYS 106 lone 0 61 - 1 - HB3 LYS 94 - HD3 LYS 106 lone 0 61 - 1 - HG LEU 74 - HD2 LYS 106 lone 0 84 - 0 - HG LEU 74 - HD3 LYS 106 lone 0 84 - 0 - Peak 6498 from cnoeabs.peaks (1.71, 1.56, 29.23 ppm; 3.04 A): 4 out of 24 assignments used, quality = 1.00: * HB3 LYS 106 + HD2 LYS 106 OK 76 100 - 76 - 3.6=61, 3.0/6451=6...(14) HB3 LYS 106 + HD3 LYS 106 OK 76 100 - 76 - 3.6=61, 3.0/6451=6...(14) HB2 LYS 106 + HD2 LYS 106 OK 76 100 - 76 - 3.6=61, 3.0/6451=6...(14) HB2 LYS 106 + HD3 LYS 106 OK 76 100 - 76 - 3.6=61, 3.0/6451=6...(14) HB3 LEU 90 - HD2 LYS 106 OK 18 96 - 19 - ~11568=4, ~11572=3...(9) HB3 LEU 90 - HD3 LYS 106 OK 18 95 - 19 - ~11568=4, ~11572=3...(9) HG12 ILE 15 - HD2 LYS 106 lone 1 87 - 1 - HG12 ILE 15 - HD3 LYS 106 lone 1 87 - 1 - HD2 LYS 39 - HD2 LYS 106 lone 1 94 - 1 - HD2 LYS 39 - HD3 LYS 106 lone 1 94 - 1 - HD3 LYS 39 - HD2 LYS 106 lone 1 92 - 1 - HD3 LYS 39 - HD3 LYS 106 lone 1 92 - 1 - HD3 LYS 44 - HD3 LYS 106 lone 1 87 - 1 - HD3 LYS 44 - HD2 LYS 106 lone 1 87 - 1 - HD2 LYS 44 - HD2 LYS 106 lone 1 81 - 1 - HD2 LYS 44 - HD3 LYS 106 lone 1 80 - 1 - HG3 LYS 39 - HD2 LYS 106 lone 0 73 - 1 - HG3 LYS 39 - HD3 LYS 106 lone 0 73 - 1 - HG3 LYS 123 - HD3 LYS 106 lone 0 73 - 1 - HG3 LYS 123 - HD2 LYS 106 lone 0 73 - 1 - HG2 ARG 118 - HD2 LYS 106 lone 0 77 - 0 - HG2 ARG 118 - HD3 LYS 106 lone 0 77 - 0 - HG LEU 74 - HD2 LYS 106 lone 0 90 - 0 - HG LEU 74 - HD3 LYS 106 lone 0 89 - 0 - Peak 6499 from cnoeabs.peaks (1.46, 1.56, 29.23 ppm; 3.21 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 106 + HD2 LYS 106 OK 100 100 - 100 - 3.0=100 HG2 LYS 106 + HD3 LYS 106 OK 100 100 - 100 - 3.0=100 Peak 6500 from cnoeabs.peaks (1.40, 1.56, 29.23 ppm; 3.41 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 106 + HD2 LYS 106 OK 100 100 - 100 - 3.0=100 HG3 LYS 106 + HD3 LYS 106 OK 100 100 - 100 - 3.0=100 Peak 6501 from cnoeabs.peaks (1.56, 1.56, 29.23 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 106 + HD2 LYS 106 OK 100 100 - 100 HD3 LYS 106 + HD3 LYS 106 OK 100 100 - 100 Peak 6502 from cnoeabs.peaks (1.56, 1.56, 29.23 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD2 LYS 106 + HD2 LYS 106 OK 100 100 - 100 HD3 LYS 106 + HD3 LYS 106 OK 100 100 - 100 Reference assignment not found: HD3 LYS 106 - HD2 LYS 106 Peak 6503 from cnoeabs.peaks (2.95, 1.56, 29.23 ppm; 3.74 A): 4 out of 4 assignments used, quality = 1.00: * HE2 LYS 106 + HD2 LYS 106 OK 100 100 - 100 - 3.0=100 HE3 LYS 106 + HD2 LYS 106 OK 100 100 - 100 - 3.0=100 HE2 LYS 106 + HD3 LYS 106 OK 100 100 - 100 - 3.0=100 HE3 LYS 106 + HD3 LYS 106 OK 100 100 - 100 - 3.0=100 Peak 6504 from cnoeabs.peaks (2.95, 1.56, 29.23 ppm; 3.74 A): 4 out of 4 assignments used, quality = 1.00: * HE3 LYS 106 + HD2 LYS 106 OK 100 100 - 100 - 3.0=100 HE2 LYS 106 + HD2 LYS 106 OK 100 100 - 100 - 3.0=100 HE3 LYS 106 + HD3 LYS 106 OK 100 100 - 100 - 3.0=100 HE2 LYS 106 + HD3 LYS 106 OK 100 100 - 100 - 3.0=100 Peak 6507 from cnoeabs.peaks (1.72, 1.56, 29.23 ppm; 3.04 A): 4 out of 28 assignments used, quality = 1.00: * HB2 LYS 106 + HD3 LYS 106 OK 76 100 - 76 - 3.6=61, 3.0/6451=6...(14) HB2 LYS 106 + HD2 LYS 106 OK 76 100 - 76 - 3.6=61, 3.0/6451=6...(14) HB3 LYS 106 + HD3 LYS 106 OK 76 100 - 76 - 3.6=61, 3.0/6451=6...(14) HB3 LYS 106 + HD2 LYS 106 OK 76 100 - 76 - 3.6=61, 3.0/6451=6...(14) HB3 LEU 90 - HD3 LYS 106 OK 19 98 - 19 - ~11568=4, ~11572=3...(9) HB3 LEU 90 - HD2 LYS 106 OK 19 98 - 19 - ~11568=4, ~11572=3...(9) HG12 ILE 15 - HD3 LYS 106 lone 1 92 - 1 - HG12 ILE 15 - HD2 LYS 106 lone 1 92 - 1 - HD2 LYS 39 - HD3 LYS 106 lone 1 90 - 1 - HD2 LYS 39 - HD2 LYS 106 lone 1 89 - 1 - HD3 LYS 39 - HD3 LYS 106 lone 1 87 - 1 - HD3 LYS 39 - HD2 LYS 106 lone 1 87 - 1 - HD3 LYS 44 - HD3 LYS 106 lone 1 81 - 1 - HD3 LYS 44 - HD2 LYS 106 lone 1 80 - 1 - HD2 LYS 44 - HD3 LYS 106 lone 1 73 - 1 - HD2 LYS 44 - HD2 LYS 106 lone 1 73 - 1 - HB2 LEU 114 - HD3 LYS 106 lone 1 61 - 1 - HB2 LEU 114 - HD2 LYS 106 lone 1 61 - 1 - HG2 ARG 118 - HD2 LYS 106 lone 0 84 - 0 - HG2 ARG 118 - HD3 LYS 106 lone 0 84 - 0 - HG3 LYS 39 - HD3 LYS 106 lone 0 65 - 1 - HG3 LYS 39 - HD2 LYS 106 lone 0 65 - 1 - HG3 LYS 123 - HD3 LYS 106 lone 0 65 - 1 - HG3 LYS 123 - HD2 LYS 106 lone 0 65 - 1 - HB3 LYS 94 - HD3 LYS 106 lone 0 61 - 1 - HB3 LYS 94 - HD2 LYS 106 lone 0 61 - 1 - HG LEU 74 - HD3 LYS 106 lone 0 84 - 0 - HG LEU 74 - HD2 LYS 106 lone 0 84 - 0 - Peak 6508 from cnoeabs.peaks (1.71, 1.56, 29.23 ppm; 3.04 A): 4 out of 24 assignments used, quality = 1.00: * HB3 LYS 106 + HD3 LYS 106 OK 76 100 - 76 - 3.6=61, 3.0/6451=6...(14) HB3 LYS 106 + HD2 LYS 106 OK 76 100 - 76 - 3.6=61, 3.0/6451=6...(14) HB2 LYS 106 + HD3 LYS 106 OK 76 100 - 76 - 3.6=61, 3.0/6451=6...(14) HB2 LYS 106 + HD2 LYS 106 OK 76 100 - 76 - 3.6=61, 3.0/6451=6...(14) HB3 LEU 90 - HD3 LYS 106 OK 18 96 - 19 - ~11568=4, ~11572=3...(9) HB3 LEU 90 - HD2 LYS 106 OK 18 95 - 19 - ~11568=4, ~11572=3...(9) HG12 ILE 15 - HD3 LYS 106 lone 1 87 - 1 - HG12 ILE 15 - HD2 LYS 106 lone 1 87 - 1 - HD2 LYS 39 - HD3 LYS 106 lone 1 94 - 1 - HD2 LYS 39 - HD2 LYS 106 lone 1 94 - 1 - HD3 LYS 39 - HD3 LYS 106 lone 1 92 - 1 - HD3 LYS 39 - HD2 LYS 106 lone 1 92 - 1 - HD3 LYS 44 - HD3 LYS 106 lone 1 87 - 1 - HD3 LYS 44 - HD2 LYS 106 lone 1 87 - 1 - HD2 LYS 44 - HD3 LYS 106 lone 1 81 - 1 - HD2 LYS 44 - HD2 LYS 106 lone 1 80 - 1 - HG3 LYS 39 - HD3 LYS 106 lone 0 73 - 1 - HG3 LYS 39 - HD2 LYS 106 lone 0 73 - 1 - HG3 LYS 123 - HD3 LYS 106 lone 0 73 - 1 - HG3 LYS 123 - HD2 LYS 106 lone 0 73 - 1 - HG2 ARG 118 - HD2 LYS 106 lone 0 77 - 0 - HG2 ARG 118 - HD3 LYS 106 lone 0 77 - 0 - HG LEU 74 - HD3 LYS 106 lone 0 90 - 0 - HG LEU 74 - HD2 LYS 106 lone 0 89 - 0 - Peak 6509 from cnoeabs.peaks (1.46, 1.56, 29.23 ppm; 3.21 A): 2 out of 2 assignments used, quality = 1.00: * HG2 LYS 106 + HD3 LYS 106 OK 100 100 - 100 - 3.0=100 HG2 LYS 106 + HD2 LYS 106 OK 100 100 - 100 - 3.0=100 Peak 6510 from cnoeabs.peaks (1.40, 1.56, 29.23 ppm; 3.41 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 106 + HD3 LYS 106 OK 100 100 - 100 - 3.0=100 HG3 LYS 106 + HD2 LYS 106 OK 100 100 - 100 - 3.0=100 Peak 6511 from cnoeabs.peaks (1.56, 1.56, 29.23 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HD3 LYS 106 + HD3 LYS 106 OK 100 100 - 100 HD2 LYS 106 + HD2 LYS 106 OK 100 100 - 100 Reference assignment not found: HD2 LYS 106 - HD3 LYS 106 Peak 6512 from cnoeabs.peaks (1.56, 1.56, 29.23 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 106 + HD3 LYS 106 OK 100 100 - 100 HD2 LYS 106 + HD2 LYS 106 OK 100 100 - 100 Peak 6513 from cnoeabs.peaks (2.95, 1.56, 29.23 ppm; 3.74 A): 4 out of 4 assignments used, quality = 1.00: * HE2 LYS 106 + HD3 LYS 106 OK 100 100 - 100 - 3.0=100 HE3 LYS 106 + HD3 LYS 106 OK 100 100 - 100 - 3.0=100 HE2 LYS 106 + HD2 LYS 106 OK 100 100 - 100 - 3.0=100 HE3 LYS 106 + HD2 LYS 106 OK 100 100 - 100 - 3.0=100 Peak 6514 from cnoeabs.peaks (2.95, 1.56, 29.23 ppm; 3.74 A): 4 out of 4 assignments used, quality = 1.00: * HE3 LYS 106 + HD3 LYS 106 OK 100 100 - 100 - 3.0=100 HE2 LYS 106 + HD3 LYS 106 OK 100 100 - 100 - 3.0=100 HE3 LYS 106 + HD2 LYS 106 OK 100 100 - 100 - 3.0=100 HE2 LYS 106 + HD2 LYS 106 OK 100 100 - 100 - 3.0=100 Peak 6517 from cnoeabs.peaks (1.72, 2.95, 41.78 ppm; 2.64 A): 6 out of 70 assignments used, quality = 0.94: * HB2 LYS 106 + HE2 LYS 106 OK 46 100 - 46 - 5.1=14, 2.9/6520=8...(15) HB3 LYS 106 + HE2 LYS 106 OK 46 100 - 46 - 5.1=14, 2.9/6520=8...(15) HB2 LYS 106 + HE3 LYS 106 OK 46 100 - 46 - 5.1=14, 2.9/6520=8...(15) HB3 LYS 106 + HE3 LYS 106 OK 46 100 - 46 - 5.1=14, 2.9/6520=8...(15) HB3 LEU 90 + HE3 LYS 106 OK 14 98 - 14 - 3.1/11572=4, ~11572=3...(5) HB3 LEU 90 + HE2 LYS 106 OK 14 98 - 14 - 3.1/11572=4, ~11572=3...(5) HG3 LYS 39 - HE3 LYS 40 lone 1 34 - 4 - HD2 LYS 39 - HE3 LYS 40 lone 1 50 - 2 - HD3 LYS 39 - HE3 LYS 40 lone 1 48 - 2 - HD2 LYS 39 - HE3 LYS 20 lone 1 60 - 1 - HD2 LYS 39 - HE2 LYS 20 lone 1 60 - 1 - HB3 LEU 90 - HE2 LYS 20 lone 0 69 - 1 - HB3 LEU 90 - HE3 LYS 20 lone 0 69 - 1 - HB2 LYS 106 - HE2 LYS 20 lone 0 73 - 1 - HB2 LYS 106 - HE3 LYS 20 lone 0 73 - 1 - HB3 LYS 106 - HE2 LYS 20 lone 0 73 - 1 - HB3 LYS 106 - HE3 LYS 20 lone 0 73 - 1 - HD3 LYS 39 - HE2 LYS 20 lone 0 57 - 1 - HD3 LYS 39 - HE3 LYS 20 lone 0 57 - 1 - HD3 LYS 44 - HE2 LYS 20 lone 0 52 - 1 - HD3 LYS 44 - HE3 LYS 20 lone 0 52 - 1 - HD2 LYS 39 - HE2 LYS 106 lone 0 90 - 0 - HD2 LYS 39 - HE3 LYS 106 lone 0 89 - 0 - HD3 LYS 39 - HE2 LYS 106 lone 0 87 - 0 - HD3 LYS 39 - HE3 LYS 106 lone 0 87 - 0 - HG3 LYS 39 - HE2 LYS 20 lone 0 41 - 1 - HG3 LYS 39 - HE3 LYS 20 lone 0 41 - 1 - HD2 LYS 44 - HE3 LYS 20 lone 0 46 - 1 - HD2 LYS 44 - HE2 LYS 20 lone 0 46 - 1 - HB3 LYS 94 - HE2 LYS 106 lone 0 61 - 1 - HB3 LYS 94 - HE3 LYS 106 lone 0 61 - 1 - HG3 LYS 39 - HE2 LYS 106 lone 0 65 - 0 - HG3 LYS 39 - HE3 LYS 106 lone 0 65 - 0 - HB3 LEU 90 - HE3 LYS 40 lone 0 59 - 0 - HG12 ILE 15 - HE2 LYS 106 lone 0 92 - 0 - HG12 ILE 15 - HE3 LYS 106 lone 0 92 - 0 - HB2 LEU 114 - HE2 LYS 106 lone 0 61 - 0 - HB2 LEU 114 - HE3 LYS 106 lone 0 61 - 0 - HD3 LYS 44 - HE2 LYS 106 lone 0 81 - 0 - HD3 LYS 44 - HE3 LYS 106 lone 0 80 - 0 - HG2 ARG 118 - HE2 LYS 106 lone 0 84 - 0 - HG2 ARG 118 - HE3 LYS 106 lone 0 84 - 0 - HG3 LYS 123 - HE2 LYS 106 lone 0 65 - 0 - HD2 LYS 44 - HE2 LYS 106 lone 0 73 - 0 - HD2 LYS 44 - HE3 LYS 106 lone 0 73 - 0 - HG3 LYS 123 - HE3 LYS 106 lone 0 65 - 0 - HG LEU 74 - HE2 LYS 106 lone 0 84 - 0 - HG LEU 74 - HE3 LYS 106 lone 0 84 - 0 - HG2 ARG 118 - HE3 LYS 20 lone 0 55 - 0 - HG2 ARG 118 - HE2 LYS 20 lone 0 55 - 0 - HD3 LYS 44 - HE3 LYS 40 lone 0 44 - 1 - HB2 LYS 106 - HE3 LYS 40 lone 0 63 - 0 - HB3 LYS 106 - HE3 LYS 40 lone 0 62 - 0 - HD2 LYS 44 - HE3 LYS 40 lone 0 39 - 0 - HG3 LYS 123 - HE3 LYS 20 lone 0 41 - 0 - HG3 LYS 123 - HE2 LYS 20 lone 0 41 - 0 - HG3 LYS 123 - HE3 LYS 40 lone 0 34 - 0 - HG LEU 74 - HE2 LYS 20 lone 0 55 - 0 - HG LEU 74 - HE3 LYS 20 lone 0 55 - 0 - HG12 ILE 15 - HE3 LYS 20 lone 0 62 - 0 - HG12 ILE 15 - HE2 LYS 20 lone 0 62 - 0 - HG2 ARG 118 - HE3 LYS 40 lone 0 46 - 0 - HG12 ILE 15 - HE3 LYS 40 lone 0 52 - 0 - HG LEU 74 - HE3 LYS 40 lone 0 46 - 0 - HB2 LEU 114 - HE3 LYS 20 lone 0 38 - 0 - HB2 LEU 114 - HE2 LYS 20 lone 0 38 - 0 - HB3 LYS 94 - HE3 LYS 20 lone 0 38 - 0 - HB3 LYS 94 - HE2 LYS 20 lone 0 38 - 0 - HB3 LYS 94 - HE3 LYS 40 lone 0 31 - 0 - HB2 LEU 114 - HE3 LYS 40 lone 0 31 - 0 - Peak 6518 from cnoeabs.peaks (1.71, 2.95, 41.78 ppm; 2.64 A): 6 out of 60 assignments used, quality = 0.94: * HB3 LYS 106 + HE2 LYS 106 OK 46 100 - 46 - 5.1=14, 2.9/6520=8...(15) HB2 LYS 106 + HE2 LYS 106 OK 46 100 - 46 - 5.1=14, 2.9/6520=8...(15) HB3 LYS 106 + HE3 LYS 106 OK 46 100 - 46 - 5.1=14, 2.9/6520=8...(15) HB2 LYS 106 + HE3 LYS 106 OK 46 100 - 46 - 5.1=14, 2.9/6520=8...(15) HB3 LEU 90 + HE3 LYS 106 OK 14 95 - 14 - 3.1/11572=4, ~11572=3...(5) HB3 LEU 90 + HE2 LYS 106 OK 14 96 - 14 - 3.1/11572=4, ~11572=3...(5) HG3 LYS 39 - HE3 LYS 40 lone 2 39 - 4 - HD2 LYS 39 - HE3 LYS 40 lone 1 54 - 2 - HD3 LYS 39 - HE3 LYS 40 lone 1 52 - 2 - HD2 LYS 39 - HE3 LYS 20 lone 1 64 - 1 - HD2 LYS 39 - HE2 LYS 20 lone 1 64 - 1 - HD3 LYS 39 - HE3 LYS 20 lone 1 62 - 1 - HD3 LYS 39 - HE2 LYS 20 lone 1 62 - 1 - HD3 LYS 44 - HE3 LYS 20 lone 1 57 - 1 - HD3 LYS 44 - HE2 LYS 20 lone 1 57 - 1 - HB3 LYS 106 - HE3 LYS 20 lone 0 73 - 1 - HB3 LYS 106 - HE2 LYS 20 lone 0 73 - 1 - HB2 LYS 106 - HE2 LYS 20 lone 0 73 - 1 - HB2 LYS 106 - HE3 LYS 20 lone 0 73 - 1 - HD2 LYS 39 - HE2 LYS 106 lone 0 94 - 0 - HG3 LYS 39 - HE2 LYS 20 lone 1 46 - 1 - HG3 LYS 39 - HE3 LYS 20 lone 1 46 - 1 - HD2 LYS 39 - HE3 LYS 106 lone 0 94 - 0 - HD2 LYS 44 - HE3 LYS 20 lone 0 52 - 1 - HD2 LYS 44 - HE2 LYS 20 lone 0 52 - 1 - HB3 LEU 90 - HE2 LYS 20 lone 0 66 - 1 - HB3 LEU 90 - HE3 LYS 20 lone 0 66 - 1 - HD3 LYS 39 - HE2 LYS 106 lone 0 92 - 0 - HD3 LYS 39 - HE3 LYS 106 lone 0 92 - 0 - HG3 LYS 39 - HE2 LYS 106 lone 0 73 - 0 - HG3 LYS 39 - HE3 LYS 106 lone 0 73 - 0 - HD3 LYS 44 - HE2 LYS 106 lone 0 87 - 0 - HD3 LYS 44 - HE3 LYS 106 lone 0 87 - 0 - HB3 LEU 90 - HE3 LYS 40 lone 0 56 - 0 - HG12 ILE 15 - HE2 LYS 106 lone 0 87 - 0 - HG3 LYS 123 - HE2 LYS 106 lone 0 73 - 0 - HG12 ILE 15 - HE3 LYS 106 lone 0 87 - 0 - HG3 LYS 123 - HE3 LYS 106 lone 0 73 - 0 - HD2 LYS 44 - HE2 LYS 106 lone 0 81 - 0 - HD2 LYS 44 - HE3 LYS 106 lone 0 80 - 0 - HD3 LYS 44 - HE3 LYS 40 lone 0 48 - 1 - HG LEU 74 - HE2 LYS 106 lone 0 90 - 0 - HG LEU 74 - HE3 LYS 106 lone 0 89 - 0 - HD2 LYS 44 - HE3 LYS 40 lone 0 44 - 1 - HG2 ARG 118 - HE2 LYS 106 lone 0 77 - 0 - HG2 ARG 118 - HE3 LYS 106 lone 0 77 - 0 - HB3 LYS 106 - HE3 LYS 40 lone 0 63 - 0 - HB2 LYS 106 - HE3 LYS 40 lone 0 62 - 0 - HG3 LYS 123 - HE2 LYS 20 lone 0 46 - 0 - HG3 LYS 123 - HE3 LYS 20 lone 0 46 - 0 - HG2 ARG 118 - HE3 LYS 20 lone 0 49 - 0 - HG2 ARG 118 - HE2 LYS 20 lone 0 49 - 0 - HG3 LYS 123 - HE3 LYS 40 lone 0 39 - 0 - HG LEU 74 - HE3 LYS 20 lone 0 60 - 0 - HG LEU 74 - HE2 LYS 20 lone 0 60 - 0 - HG12 ILE 15 - HE3 LYS 20 lone 0 57 - 0 - HG12 ILE 15 - HE2 LYS 20 lone 0 57 - 0 - HG LEU 74 - HE3 LYS 40 lone 0 50 - 0 - HG2 ARG 118 - HE3 LYS 40 lone 0 41 - 0 - HG12 ILE 15 - HE3 LYS 40 lone 0 48 - 0 - Peak 6519 from cnoeabs.peaks (1.46, 2.95, 41.78 ppm; 3.26 A): 2 out of 70 assignments used, quality = 0.99: * HG2 LYS 106 + HE2 LYS 106 OK 91 100 - 91 - 3.6=74, 1.8/6520=16...(22) HG2 LYS 106 + HE3 LYS 106 OK 91 100 - 91 - 3.6=74, 1.8/6520=16...(22) HG3 LYS 20 - HE3 LYS 20 OK 39 46 - 83 - 3.9=59, 1.8/3071=7...(17) HG3 LYS 20 - HE2 LYS 20 OK 39 46 - 83 - 3.9=59, 1.8/3071=7...(17) HG3 LYS 73 - HE3 LYS 20 poor 8 41 - 20 - 5170/3.0=1, 5170/3.0=1...(5) HG3 LYS 73 - HE2 LYS 20 poor 8 41 - 20 - 5170/3.0=1, 5170/3.0=1...(5) HG3 LYS 20 - HE3 LYS 40 poor 6 39 - 16 - 1.8/3071=2, 3081=1...(5) HG2 LYS 39 - HE3 LYS 40 lone 6 62 - 9 - 7475/7.5=3 HG3 LYS 73 - HE3 LYS 40 lone 3 34 - 8 - HG12 ILE 7 - HE2 LYS 106 lone 2 100 - 2 - HG12 ILE 7 - HE3 LYS 106 lone 2 100 - 2 - HG2 LYS 39 - HE2 LYS 20 lone 1 72 - 2 - HG2 LYS 39 - HE3 LYS 20 lone 1 72 - 2 - HG12 ILE 57 - HE2 LYS 106 lone 1 100 - 1 - HG12 ILE 57 - HE3 LYS 106 lone 1 100 - 1 - HG2 LYS 39 - HE2 LYS 106 lone 1 100 - 1 - HG2 LYS 39 - HE3 LYS 106 lone 1 100 - 1 - HG LEU 4 - HE3 LYS 20 lone 1 64 - 2 - HG LEU 4 - HE2 LYS 20 lone 1 64 - 2 - HG2 LYS 106 - HE3 LYS 20 lone 1 73 - 1 - HG2 LYS 106 - HE2 LYS 20 lone 1 73 - 1 - HB3 LEU 38 - HE3 LYS 40 lone 1 63 - 2 - 222/7.5=1 HB3 LEU 38 - HE3 LYS 106 lone 1 100 - 1 - HB3 LEU 38 - HE2 LYS 106 lone 1 100 - 1 - HG3 LYS 20 - HE2 LYS 106 lone 1 73 - 1 - HG3 LYS 20 - HE3 LYS 106 lone 1 73 - 1 - HB3 LEU 38 - HE3 LYS 20 lone 1 73 - 1 - HB3 LEU 38 - HE2 LYS 20 lone 1 73 - 1 - HG12 ILE 57 - HE3 LYS 20 lone 1 73 - 1 - HG12 ILE 57 - HE2 LYS 20 lone 1 73 - 1 - HB3 LEU 6 - HE2 LYS 20 lone 1 73 - 1 - HB3 LEU 6 - HE3 LYS 20 lone 1 73 - 1 - HB2 LEU 74 - HE2 LYS 106 lone 0 98 - 0 - HB2 LEU 74 - HE3 LYS 106 lone 0 98 - 0 - HG2 LYS 106 - HE3 LYS 40 lone 0 63 - 1 - HB3 LEU 6 - HE2 LYS 106 lone 0 100 - 0 - HB3 LEU 6 - HE3 LYS 106 lone 0 100 - 0 - HG LEU 80 - HE2 LYS 106 lone 0 61 - 1 - HG LEU 80 - HE3 LYS 106 lone 0 61 - 1 - HG3 ARG 30 - HE2 LYS 106 lone 0 96 - 0 - HG3 LYS 49 - HE3 LYS 20 lone 0 73 - 0 - HG2 LYS 49 - HE3 LYS 20 lone 0 73 - 0 - HG2 LYS 49 - HE2 LYS 20 lone 0 73 - 0 - HG3 LYS 49 - HE2 LYS 20 lone 0 73 - 0 - HG3 LYS 49 - HE2 LYS 106 lone 0 100 - 0 - HG2 LYS 49 - HE2 LYS 106 lone 0 100 - 0 - HG2 LYS 49 - HE3 LYS 106 lone 0 100 - 0 - HG3 LYS 49 - HE3 LYS 106 lone 0 100 - 0 - HG LEU 4 - HE2 LYS 106 lone 0 94 - 0 - HG LEU 4 - HE3 LYS 106 lone 0 94 - 0 - HG3 ARG 30 - HE3 LYS 106 lone 0 95 - 0 - HB2 LEU 74 - HE2 LYS 20 lone 0 69 - 0 - HB2 LEU 74 - HE3 LYS 20 lone 0 69 - 0 - HG12 ILE 7 - HE2 LYS 20 lone 0 73 - 0 - HG12 ILE 7 - HE3 LYS 20 lone 0 73 - 0 - HB3 LEU 6 - HE3 LYS 40 lone 0 62 - 0 - HG3 LYS 73 - HE3 LYS 106 lone 0 65 - 0 - HG3 LYS 73 - HE2 LYS 106 lone 0 65 - 0 - HG LEU 4 - HE3 LYS 40 lone 0 54 - 0 - HG12 ILE 7 - HE3 LYS 40 lone 0 63 - 0 - HG3 ARG 30 - HE3 LYS 20 lone 0 66 - 0 - HG3 ARG 30 - HE2 LYS 20 lone 0 66 - 0 - HG3 LYS 49 - HE3 LYS 40 lone 0 62 - 0 - HG2 LYS 49 - HE3 LYS 40 lone 0 62 - 0 - HG12 ILE 57 - HE3 LYS 40 lone 0 63 - 0 - HB2 LEU 74 - HE3 LYS 40 lone 0 59 - 0 - HG3 ARG 30 - HE3 LYS 40 lone 0 56 - 0 - HG LEU 80 - HE2 LYS 20 lone 0 38 - 0 - HG LEU 80 - HE3 LYS 20 lone 0 38 - 0 - HG LEU 80 - HE3 LYS 40 lone 0 31 - 0 - Peak 6520 from cnoeabs.peaks (1.40, 2.95, 41.78 ppm; 3.06 A): 2 out of 25 assignments used, quality = 0.97: * HG3 LYS 106 + HE2 LYS 106 OK 82 100 - 82 - 3.6=61, 1.8/6519=9...(23) HG3 LYS 106 + HE3 LYS 106 OK 82 100 - 82 - 3.6=61, 1.8/6519=9...(23) HG3 LYS 16 - HE3 LYS 40 OK 12 59 - 21 - 2766/3.0=3, 2766/3.0=3...(7) HG3 LYS 16 - HE2 LYS 20 lone 2 69 - 4 - HG3 LYS 16 - HE3 LYS 20 lone 2 69 - 4 - HG3 LYS 106 - HE2 LYS 20 lone 1 73 - 1 - HG3 LYS 106 - HE3 LYS 20 lone 1 73 - 1 - HB3 LEU 114 - HE2 LYS 106 lone 1 99 - 1 - HB3 LEU 114 - HE3 LYS 106 lone 1 99 - 1 - QB ALA 113 - HE2 LYS 106 lone 0 96 - 1 - QB ALA 113 - HE3 LYS 106 lone 0 95 - 1 - HG3 LYS 16 - HE2 LYS 106 lone 0 98 - 0 - HG3 LYS 16 - HE3 LYS 106 lone 0 98 - 0 - HG3 LYS 106 - HE3 LYS 40 lone 0 63 - 1 - HB3 GLN 83 - HE2 LYS 106 lone 0 65 - 0 - HB3 GLN 83 - HE3 LYS 106 lone 0 65 - 0 - QB ALA 113 - HE2 LYS 20 lone 0 66 - 0 - QB ALA 113 - HE3 LYS 20 lone 0 66 - 0 - HB3 LEU 114 - HE2 LYS 20 lone 0 70 - 0 - HB3 LEU 114 - HE3 LYS 20 lone 0 70 - 0 - HB3 LEU 114 - HE3 LYS 40 lone 0 60 - 0 - QB ALA 113 - HE3 LYS 40 lone 0 56 - 0 - HB3 GLN 83 - HE3 LYS 20 lone 0 41 - 0 - HB3 GLN 83 - HE2 LYS 20 lone 0 41 - 0 - HB3 GLN 83 - HE3 LYS 40 lone 0 34 - 0 - Peak 6521 from cnoeabs.peaks (1.56, 2.95, 41.78 ppm; 2.92 A): 4 out of 55 assignments used, quality = 1.00: * HD2 LYS 106 + HE2 LYS 106 OK 96 100 - 96 - 3.0=94, 3.0/6520=10...(11) HD3 LYS 106 + HE2 LYS 106 OK 96 100 - 96 - 3.0=94, 3.0/6520=10...(11) HD2 LYS 106 + HE3 LYS 106 OK 96 100 - 96 - 3.0=94, 3.0/6520=10...(11) HD3 LYS 106 + HE3 LYS 106 OK 96 100 - 96 - 3.0=94, 3.0/6520=10...(11) HG3 LYS 96 - HE3 LYS 20 lone 6 64 - 9 - HG3 LYS 96 - HE2 LYS 20 lone 6 64 - 9 - HG3 LYS 96 - HE3 LYS 40 lone 3 54 - 6 - HD3 LYS 106 - HE2 LYS 20 lone 1 73 - 1 - HD3 LYS 106 - HE3 LYS 20 lone 1 73 - 1 - HD2 LYS 106 - HE2 LYS 20 lone 1 73 - 1 - HD2 LYS 106 - HE3 LYS 20 lone 1 73 - 1 - HG2 LYS 115 - HE3 LYS 106 lone 1 100 - 1 - HG2 LYS 115 - HE2 LYS 106 lone 1 100 - 1 - HB3 LEU 70 - HE2 LYS 20 lone 1 64 - 1 - HB3 LEU 70 - HE3 LYS 20 lone 1 64 - 1 - HG2 LYS 115 - HE2 LYS 20 lone 1 73 - 1 - HG2 LYS 115 - HE3 LYS 20 lone 1 73 - 1 - HG2 LYS 115 - HE3 LYS 40 lone 0 63 - 1 - HG2 LYS 123 - HE2 LYS 106 lone 0 81 - 1 - HG2 LYS 123 - HE3 LYS 106 lone 0 80 - 1 - HB3 LEU 70 - HE2 LYS 106 lone 0 94 - 0 - HG3 LYS 96 - HE2 LYS 106 lone 0 94 - 0 - HB3 LEU 70 - HE3 LYS 106 lone 0 94 - 0 - HG3 LYS 96 - HE3 LYS 106 lone 0 94 - 0 - HG LEU 55 - HE2 LYS 106 lone 0 99 - 0 - HG LEU 55 - HE3 LYS 106 lone 0 99 - 0 - HG12 ILE 3 - HE2 LYS 106 lone 0 100 - 0 - HG12 ILE 3 - HE3 LYS 106 lone 0 100 - 0 - HG2 LYS 65 - HE2 LYS 106 lone 0 87 - 0 - HG2 LYS 65 - HE3 LYS 106 lone 0 87 - 0 - HG2 LYS 123 - HE3 LYS 20 lone 0 52 - 1 - HG2 LYS 123 - HE2 LYS 20 lone 0 52 - 1 - HG2 LYS 123 - HE3 LYS 40 lone 0 44 - 1 - HB VAL 78 - HE2 LYS 106 lone 0 99 - 0 - HB VAL 78 - HE3 LYS 106 lone 0 99 - 0 - HD2 LYS 106 - HE3 LYS 40 lone 0 63 - 0 - HD3 LYS 106 - HE3 LYS 40 lone 0 63 - 0 - QB ALA 46 - HE3 LYS 20 lone 0 60 - 0 - QB ALA 46 - HE2 LYS 20 lone 0 60 - 0 - QB ALA 46 - HE2 LYS 106 lone 0 90 - 0 - QB ALA 46 - HE3 LYS 106 lone 0 89 - 0 - HG2 LYS 65 - HE3 LYS 40 lone 0 48 - 0 - HB3 LEU 70 - HE3 LYS 40 lone 0 54 - 0 - HG LEU 55 - HE2 LYS 20 lone 0 70 - 0 - HG LEU 55 - HE3 LYS 20 lone 0 70 - 0 - HG2 LYS 65 - HE2 LYS 20 lone 0 57 - 0 - HG2 LYS 65 - HE3 LYS 20 lone 0 57 - 0 - HG12 ILE 3 - HE2 LYS 20 lone 0 73 - 0 - HG12 ILE 3 - HE3 LYS 20 lone 0 73 - 0 - HB VAL 78 - HE2 LYS 20 lone 0 71 - 0 - HB VAL 78 - HE3 LYS 20 lone 0 71 - 0 - HG LEU 55 - HE3 LYS 40 lone 0 60 - 0 - HG12 ILE 3 - HE3 LYS 40 lone 0 63 - 0 - HB VAL 78 - HE3 LYS 40 lone 0 61 - 0 - QB ALA 46 - HE3 LYS 40 lone 0 50 - 0 - Peak 6522 from cnoeabs.peaks (1.56, 2.95, 41.78 ppm; 2.92 A): 4 out of 55 assignments used, quality = 1.00: * HD3 LYS 106 + HE2 LYS 106 OK 96 100 - 96 - 3.0=94, 3.0/6520=10...(11) HD2 LYS 106 + HE2 LYS 106 OK 96 100 - 96 - 3.0=94, 3.0/6520=10...(11) HD3 LYS 106 + HE3 LYS 106 OK 96 100 - 96 - 3.0=94, 3.0/6520=10...(11) HD2 LYS 106 + HE3 LYS 106 OK 96 100 - 96 - 3.0=94, 3.0/6520=10...(11) HG3 LYS 96 - HE2 LYS 20 lone 6 66 - 9 - HG3 LYS 96 - HE3 LYS 20 lone 6 66 - 9 - HG3 LYS 96 - HE3 LYS 40 lone 4 56 - 6 - HD3 LYS 106 - HE2 LYS 20 lone 1 73 - 1 - HD3 LYS 106 - HE3 LYS 20 lone 1 73 - 1 - HD2 LYS 106 - HE2 LYS 20 lone 1 73 - 1 - HD2 LYS 106 - HE3 LYS 20 lone 1 73 - 1 - HG2 LYS 115 - HE3 LYS 106 lone 1 100 - 1 - HG2 LYS 115 - HE2 LYS 106 lone 1 100 - 1 - HB3 LEU 70 - HE2 LYS 20 lone 1 66 - 1 - HB3 LEU 70 - HE3 LYS 20 lone 1 66 - 1 - HG2 LYS 115 - HE2 LYS 20 lone 1 73 - 1 - HG2 LYS 115 - HE3 LYS 20 lone 1 73 - 1 - HG2 LYS 115 - HE3 LYS 40 lone 0 63 - 1 - HG2 LYS 123 - HE2 LYS 106 lone 0 84 - 1 - HG2 LYS 123 - HE3 LYS 106 lone 0 84 - 1 - HG3 LYS 96 - HE2 LYS 106 lone 0 96 - 0 - HB3 LEU 70 - HE2 LYS 106 lone 0 96 - 0 - HB3 LEU 70 - HE3 LYS 106 lone 0 95 - 0 - HG3 LYS 96 - HE3 LYS 106 lone 0 95 - 0 - HG LEU 55 - HE2 LYS 106 lone 0 99 - 0 - HG LEU 55 - HE3 LYS 106 lone 0 99 - 0 - HG12 ILE 3 - HE2 LYS 106 lone 0 100 - 0 - HG12 ILE 3 - HE3 LYS 106 lone 0 100 - 0 - HG2 LYS 123 - HE3 LYS 20 lone 0 55 - 1 - HG2 LYS 123 - HE2 LYS 20 lone 0 55 - 1 - HG2 LYS 123 - HE3 LYS 40 lone 0 46 - 1 - HG2 LYS 65 - HE2 LYS 106 lone 0 84 - 0 - HG2 LYS 65 - HE3 LYS 106 lone 0 84 - 0 - HB VAL 78 - HE2 LYS 106 lone 0 99 - 0 - HB VAL 78 - HE3 LYS 106 lone 0 99 - 0 - HD3 LYS 106 - HE3 LYS 40 lone 0 63 - 0 - HD2 LYS 106 - HE3 LYS 40 lone 0 63 - 0 - QB ALA 46 - HE2 LYS 106 lone 0 87 - 0 - QB ALA 46 - HE3 LYS 106 lone 0 87 - 0 - QB ALA 46 - HE2 LYS 20 lone 0 57 - 0 - QB ALA 46 - HE3 LYS 20 lone 0 57 - 0 - HB3 LEU 70 - HE3 LYS 40 lone 0 56 - 0 - HG LEU 55 - HE3 LYS 20 lone 0 71 - 0 - HG LEU 55 - HE2 LYS 20 lone 0 71 - 0 - HG2 LYS 65 - HE3 LYS 40 lone 0 46 - 0 - HG2 LYS 65 - HE3 LYS 20 lone 0 55 - 0 - HG2 LYS 65 - HE2 LYS 20 lone 0 55 - 0 - HG12 ILE 3 - HE2 LYS 20 lone 0 73 - 0 - HG12 ILE 3 - HE3 LYS 20 lone 0 73 - 0 - HB VAL 78 - HE2 LYS 20 lone 0 70 - 0 - HB VAL 78 - HE3 LYS 20 lone 0 70 - 0 - HG LEU 55 - HE3 LYS 40 lone 0 61 - 0 - HG12 ILE 3 - HE3 LYS 40 lone 0 63 - 0 - HB VAL 78 - HE3 LYS 40 lone 0 60 - 0 - QB ALA 46 - HE3 LYS 40 lone 0 48 - 0 - Peak 6523 from cnoeabs.peaks (2.95, 2.95, 41.78 ppm; diagonal): 4 out of 5 assignments used, quality = 1.00: * HE2 LYS 106 + HE2 LYS 106 OK 100 100 - 100 HE3 LYS 106 + HE3 LYS 106 OK 100 100 - 100 HE2 LYS 20 + HE2 LYS 20 OK 57 57 - 100 HE3 LYS 20 + HE3 LYS 20 OK 57 57 - 100 HE3 LYS 40 - HE3 LYS 40 OK 44 44 - 100 Peak 6524 from cnoeabs.peaks (2.95, 2.95, 41.78 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HE2 LYS 106 + HE2 LYS 106 OK 100 100 - 100 HE3 LYS 106 + HE3 LYS 106 OK 100 100 - 100 HE2 LYS 20 + HE2 LYS 20 OK 60 60 - 100 HE3 LYS 20 + HE3 LYS 20 OK 60 60 - 100 HE3 LYS 40 + HE3 LYS 40 OK 46 46 - 100 Reference assignment not found: HE3 LYS 106 - HE2 LYS 106 Peak 6527 from cnoeabs.peaks (1.72, 2.95, 41.78 ppm; 2.64 A): 6 out of 70 assignments used, quality = 0.94: HB2 LYS 106 + HE2 LYS 106 OK 46 100 - 46 - 5.1=14, 2.9/6520=8...(15) * HB2 LYS 106 + HE3 LYS 106 OK 46 100 - 46 - 5.1=14, 2.9/6520=8...(15) HB3 LYS 106 + HE2 LYS 106 OK 46 100 - 46 - 5.1=14, 2.9/6520=8...(15) HB3 LYS 106 + HE3 LYS 106 OK 46 100 - 46 - 5.1=14, 2.9/6520=8...(15) HB3 LEU 90 + HE2 LYS 106 OK 14 98 - 15 - 3.1/11572=4, ~11572=3...(5) HB3 LEU 90 + HE3 LYS 106 OK 14 98 - 14 - 3.1/11572=4, ~11572=3...(5) HG3 LYS 39 - HE3 LYS 40 lone 2 37 - 4 - HD2 LYS 39 - HE3 LYS 40 lone 1 55 - 2 - HD3 LYS 39 - HE3 LYS 40 lone 1 53 - 2 - HD2 LYS 39 - HE3 LYS 20 lone 1 64 - 1 - HD2 LYS 39 - HE2 LYS 20 lone 1 64 - 1 - HB3 LEU 90 - HE3 LYS 20 lone 1 74 - 1 - HB3 LEU 90 - HE2 LYS 20 lone 1 74 - 1 - HD3 LYS 39 - HE2 LYS 20 lone 1 62 - 1 - HD3 LYS 39 - HE3 LYS 20 lone 1 62 - 1 - HB2 LYS 106 - HE3 LYS 20 lone 1 78 - 1 - HB2 LYS 106 - HE2 LYS 20 lone 1 78 - 1 - HB3 LYS 106 - HE3 LYS 20 lone 1 78 - 1 - HB3 LYS 106 - HE2 LYS 20 lone 1 78 - 1 - HD3 LYS 44 - HE2 LYS 20 lone 1 56 - 1 - HD3 LYS 44 - HE3 LYS 20 lone 1 56 - 1 - HD2 LYS 39 - HE3 LYS 106 lone 0 90 - 0 - HD2 LYS 39 - HE2 LYS 106 lone 0 89 - 0 - HG3 LYS 39 - HE3 LYS 20 lone 0 44 - 1 - HG3 LYS 39 - HE2 LYS 20 lone 0 44 - 1 - HD2 LYS 44 - HE3 LYS 20 lone 0 50 - 1 - HD2 LYS 44 - HE2 LYS 20 lone 0 50 - 1 - HD3 LYS 39 - HE3 LYS 106 lone 0 87 - 0 - HD3 LYS 39 - HE2 LYS 106 lone 0 87 - 0 - HB3 LYS 94 - HE2 LYS 106 lone 0 61 - 1 - HB3 LYS 94 - HE3 LYS 106 lone 0 61 - 1 - HB3 LEU 90 - HE3 LYS 40 lone 0 64 - 0 - HG3 LYS 39 - HE3 LYS 106 lone 0 65 - 0 - HG3 LYS 39 - HE2 LYS 106 lone 0 65 - 0 - HG12 ILE 15 - HE3 LYS 106 lone 0 92 - 0 - HG12 ILE 15 - HE2 LYS 106 lone 0 92 - 0 - HG2 ARG 118 - HE3 LYS 20 lone 0 59 - 0 - HG2 ARG 118 - HE2 LYS 20 lone 0 59 - 0 - HB2 LEU 114 - HE3 LYS 106 lone 0 61 - 0 - HB2 LEU 114 - HE2 LYS 106 lone 0 61 - 0 - HD3 LYS 44 - HE3 LYS 106 lone 0 81 - 0 - HD3 LYS 44 - HE2 LYS 106 lone 0 80 - 0 - HD3 LYS 44 - HE3 LYS 40 lone 0 48 - 1 - HG2 ARG 118 - HE3 LYS 106 lone 0 84 - 0 - HG2 ARG 118 - HE2 LYS 106 lone 0 84 - 0 - HG3 LYS 123 - HE3 LYS 106 lone 0 65 - 0 - HD2 LYS 44 - HE3 LYS 106 lone 0 73 - 0 - HG3 LYS 123 - HE2 LYS 106 lone 0 65 - 0 - HD2 LYS 44 - HE2 LYS 106 lone 0 73 - 0 - HB2 LYS 106 - HE3 LYS 40 lone 0 68 - 0 - HB3 LYS 106 - HE3 LYS 40 lone 0 68 - 0 - HG LEU 74 - HE2 LYS 106 lone 0 84 - 0 - HG LEU 74 - HE3 LYS 106 lone 0 84 - 0 - HD2 LYS 44 - HE3 LYS 40 lone 0 43 - 1 - HG3 LYS 123 - HE3 LYS 20 lone 0 44 - 0 - HG3 LYS 123 - HE2 LYS 20 lone 0 44 - 0 - HG3 LYS 123 - HE3 LYS 40 lone 0 37 - 0 - HG LEU 74 - HE3 LYS 20 lone 0 59 - 0 - HG LEU 74 - HE2 LYS 20 lone 0 59 - 0 - HG12 ILE 15 - HE3 LYS 20 lone 0 66 - 0 - HG12 ILE 15 - HE2 LYS 20 lone 0 66 - 0 - HG2 ARG 118 - HE3 LYS 40 lone 0 50 - 0 - HG12 ILE 15 - HE3 LYS 40 lone 0 57 - 0 - HG LEU 74 - HE3 LYS 40 lone 0 50 - 0 - HB2 LEU 114 - HE3 LYS 20 lone 0 41 - 0 - HB2 LEU 114 - HE2 LYS 20 lone 0 41 - 0 - HB3 LYS 94 - HE3 LYS 20 lone 0 41 - 0 - HB3 LYS 94 - HE2 LYS 20 lone 0 41 - 0 - HB3 LYS 94 - HE3 LYS 40 lone 0 35 - 0 - HB2 LEU 114 - HE3 LYS 40 lone 0 35 - 0 - Peak 6528 from cnoeabs.peaks (1.71, 2.95, 41.78 ppm; 2.64 A): 6 out of 60 assignments used, quality = 0.94: HB3 LYS 106 + HE2 LYS 106 OK 46 100 - 46 - 5.1=14, 2.9/6520=8...(15) HB2 LYS 106 + HE2 LYS 106 OK 46 100 - 46 - 5.1=14, 2.9/6520=8...(15) * HB3 LYS 106 + HE3 LYS 106 OK 46 100 - 46 - 5.1=14, 2.9/6520=8...(15) HB2 LYS 106 + HE3 LYS 106 OK 46 100 - 46 - 5.1=14, 2.9/6520=8...(15) HB3 LEU 90 + HE2 LYS 106 OK 14 95 - 15 - 3.1/11572=4, ~11572=3...(5) HB3 LEU 90 + HE3 LYS 106 OK 14 96 - 14 - 3.1/11572=4, ~11572=3...(5) HG3 LYS 39 - HE3 LYS 40 lone 2 43 - 4 - HD2 LYS 39 - HE3 LYS 40 lone 1 59 - 2 - HD3 LYS 39 - HE3 LYS 40 lone 1 57 - 2 - HD2 LYS 39 - HE3 LYS 20 lone 1 69 - 1 - HD2 LYS 39 - HE2 LYS 20 lone 1 69 - 1 - HD3 LYS 39 - HE3 LYS 20 lone 1 66 - 1 - HD3 LYS 39 - HE2 LYS 20 lone 1 66 - 1 - HD3 LYS 44 - HE2 LYS 20 lone 1 62 - 1 - HD3 LYS 44 - HE3 LYS 20 lone 1 62 - 1 - HG3 LYS 39 - HE3 LYS 20 lone 1 50 - 1 - HG3 LYS 39 - HE2 LYS 20 lone 1 50 - 1 - HB3 LYS 106 - HE2 LYS 20 lone 1 78 - 1 - HB3 LYS 106 - HE3 LYS 20 lone 1 78 - 1 - HB2 LYS 106 - HE3 LYS 20 lone 1 78 - 1 - HB2 LYS 106 - HE2 LYS 20 lone 1 78 - 1 - HD2 LYS 44 - HE2 LYS 20 lone 1 56 - 1 - HD2 LYS 44 - HE3 LYS 20 lone 1 56 - 1 - HB3 LEU 90 - HE3 LYS 20 lone 1 71 - 1 - HB3 LEU 90 - HE2 LYS 20 lone 1 71 - 1 - HD2 LYS 39 - HE3 LYS 106 lone 0 94 - 0 - HD2 LYS 39 - HE2 LYS 106 lone 0 94 - 0 - HD3 LYS 39 - HE3 LYS 106 lone 0 92 - 0 - HD3 LYS 39 - HE2 LYS 106 lone 0 92 - 0 - HG3 LYS 39 - HE3 LYS 106 lone 0 73 - 0 - HG3 LYS 39 - HE2 LYS 106 lone 0 73 - 0 - HB3 LEU 90 - HE3 LYS 40 lone 0 61 - 0 - HD3 LYS 44 - HE3 LYS 106 lone 0 87 - 0 - HD3 LYS 44 - HE2 LYS 106 lone 0 87 - 0 - HD3 LYS 44 - HE3 LYS 40 lone 0 53 - 1 - HG12 ILE 15 - HE3 LYS 106 lone 0 87 - 0 - HG12 ILE 15 - HE2 LYS 106 lone 0 87 - 0 - HG3 LYS 123 - HE3 LYS 106 lone 0 73 - 0 - HG3 LYS 123 - HE2 LYS 106 lone 0 73 - 0 - HD2 LYS 44 - HE3 LYS 106 lone 0 81 - 0 - HD2 LYS 44 - HE2 LYS 106 lone 0 80 - 0 - HG2 ARG 118 - HE3 LYS 20 lone 0 53 - 0 - HG2 ARG 118 - HE2 LYS 20 lone 0 53 - 0 - HD2 LYS 44 - HE3 LYS 40 lone 0 48 - 1 - HG LEU 74 - HE3 LYS 106 lone 0 90 - 0 - HG LEU 74 - HE2 LYS 106 lone 0 89 - 0 - HB3 LYS 106 - HE3 LYS 40 lone 0 68 - 0 - HB2 LYS 106 - HE3 LYS 40 lone 0 68 - 0 - HG3 LYS 123 - HE3 LYS 20 lone 0 50 - 0 - HG3 LYS 123 - HE2 LYS 20 lone 0 50 - 0 - HG2 ARG 118 - HE3 LYS 106 lone 0 77 - 0 - HG2 ARG 118 - HE2 LYS 106 lone 0 77 - 0 - HG3 LYS 123 - HE3 LYS 40 lone 0 43 - 0 - HG LEU 74 - HE2 LYS 20 lone 0 64 - 0 - HG LEU 74 - HE3 LYS 20 lone 0 64 - 0 - HG12 ILE 15 - HE3 LYS 20 lone 0 62 - 0 - HG12 ILE 15 - HE2 LYS 20 lone 0 62 - 0 - HG LEU 74 - HE3 LYS 40 lone 0 55 - 0 - HG2 ARG 118 - HE3 LYS 40 lone 0 45 - 0 - HG12 ILE 15 - HE3 LYS 40 lone 0 53 - 0 - Peak 6529 from cnoeabs.peaks (1.46, 2.95, 41.78 ppm; 3.26 A): 2 out of 70 assignments used, quality = 0.99: * HG2 LYS 106 + HE3 LYS 106 OK 91 100 - 91 - 3.6=74, 1.8/6520=16...(22) HG2 LYS 106 + HE2 LYS 106 OK 91 100 - 91 - 3.6=74, 1.8/6520=16...(22) HG3 LYS 20 - HE3 LYS 20 OK 42 50 - 83 - 3.9=59, 1.8/3071=7...(17) HG3 LYS 20 - HE2 LYS 20 OK 42 50 - 83 - 3.9=59, 1.8/3071=7...(17) HG3 LYS 73 - HE2 LYS 20 poor 9 44 - 21 - 5170/3.0=1, 5170/3.0=1...(5) HG3 LYS 73 - HE3 LYS 20 poor 9 44 - 21 - 5170/3.0=1, 5170/3.0=1...(5) HG3 LYS 20 - HE3 LYS 40 poor 7 43 - 16 - 1.8/3071=2, 3081=1...(5) HG2 LYS 39 - HE3 LYS 40 lone 6 67 - 9 - 7475/7.5=3 HG3 LYS 73 - HE3 LYS 40 lone 3 37 - 8 - HG2 LYS 39 - HE2 LYS 20 lone 2 77 - 2 - HG2 LYS 39 - HE3 LYS 20 lone 2 77 - 2 - HG12 ILE 7 - HE3 LYS 106 lone 2 100 - 2 - HG12 ILE 7 - HE2 LYS 106 lone 2 100 - 2 - HG12 ILE 57 - HE3 LYS 106 lone 1 100 - 1 - HG12 ILE 57 - HE2 LYS 106 lone 1 100 - 1 - HG LEU 4 - HE3 LYS 20 lone 1 69 - 2 - HG LEU 4 - HE2 LYS 20 lone 1 69 - 2 - HG2 LYS 106 - HE3 LYS 20 lone 1 78 - 1 - HG2 LYS 106 - HE2 LYS 20 lone 1 78 - 1 - HG2 LYS 39 - HE3 LYS 106 lone 1 100 - 1 - HG2 LYS 39 - HE2 LYS 106 lone 1 100 - 1 - HB3 LEU 38 - HE3 LYS 40 lone 1 68 - 2 - 222/7.5=1 HB3 LEU 38 - HE3 LYS 106 lone 1 100 - 1 - HB3 LEU 38 - HE2 LYS 106 lone 1 100 - 1 - HB3 LEU 38 - HE3 LYS 20 lone 1 78 - 1 - HB3 LEU 38 - HE2 LYS 20 lone 1 78 - 1 - HG3 LYS 20 - HE3 LYS 106 lone 1 73 - 1 - HG3 LYS 20 - HE2 LYS 106 lone 1 73 - 1 - HG12 ILE 57 - HE3 LYS 20 lone 1 78 - 1 - HG12 ILE 57 - HE2 LYS 20 lone 1 78 - 1 - HB3 LEU 6 - HE3 LYS 20 lone 1 78 - 1 - HB3 LEU 6 - HE2 LYS 20 lone 1 78 - 1 - HB2 LEU 74 - HE3 LYS 106 lone 0 98 - 0 - HG2 LYS 106 - HE3 LYS 40 lone 0 68 - 1 - HB2 LEU 74 - HE2 LYS 106 lone 0 98 - 0 - HG3 LYS 49 - HE3 LYS 20 lone 0 78 - 0 - HG3 LYS 49 - HE2 LYS 20 lone 0 78 - 0 - HG2 LYS 49 - HE3 LYS 20 lone 0 78 - 0 - HG2 LYS 49 - HE2 LYS 20 lone 0 78 - 0 - HB3 LEU 6 - HE2 LYS 106 lone 0 100 - 0 - HB3 LEU 6 - HE3 LYS 106 lone 0 100 - 0 - HG LEU 80 - HE3 LYS 106 lone 0 61 - 1 - HG LEU 80 - HE2 LYS 106 lone 0 61 - 1 - HG3 LYS 49 - HE3 LYS 106 lone 0 100 - 0 - HG2 LYS 49 - HE3 LYS 106 lone 0 100 - 0 - HG2 LYS 49 - HE2 LYS 106 lone 0 100 - 0 - HG3 LYS 49 - HE2 LYS 106 lone 0 100 - 0 - HB2 LEU 74 - HE3 LYS 20 lone 0 74 - 0 - HB2 LEU 74 - HE2 LYS 20 lone 0 74 - 0 - HG LEU 4 - HE3 LYS 106 lone 0 94 - 0 - HG LEU 4 - HE2 LYS 106 lone 0 94 - 0 - HG3 ARG 30 - HE2 LYS 106 lone 0 95 - 0 - HG3 ARG 30 - HE3 LYS 106 lone 0 96 - 0 - HG12 ILE 7 - HE3 LYS 20 lone 0 78 - 0 - HG12 ILE 7 - HE2 LYS 20 lone 0 78 - 0 - HB3 LEU 6 - HE3 LYS 40 lone 0 68 - 0 - HG LEU 4 - HE3 LYS 40 lone 0 59 - 0 - HG12 ILE 7 - HE3 LYS 40 lone 0 68 - 0 - HG3 LYS 73 - HE3 LYS 106 lone 0 65 - 0 - HG3 LYS 73 - HE2 LYS 106 lone 0 65 - 0 - HG3 ARG 30 - HE2 LYS 20 lone 0 71 - 0 - HG3 ARG 30 - HE3 LYS 20 lone 0 71 - 0 - HG3 LYS 49 - HE3 LYS 40 lone 0 68 - 0 - HG2 LYS 49 - HE3 LYS 40 lone 0 68 - 0 - HG12 ILE 57 - HE3 LYS 40 lone 0 68 - 0 - HB2 LEU 74 - HE3 LYS 40 lone 0 64 - 0 - HG3 ARG 30 - HE3 LYS 40 lone 0 61 - 0 - HG LEU 80 - HE2 LYS 20 lone 0 41 - 0 - HG LEU 80 - HE3 LYS 20 lone 0 41 - 0 - HG LEU 80 - HE3 LYS 40 lone 0 35 - 0 - Peak 6530 from cnoeabs.peaks (1.40, 2.95, 41.78 ppm; 3.06 A): 2 out of 25 assignments used, quality = 0.97: HG3 LYS 106 + HE2 LYS 106 OK 82 100 - 82 - 3.6=61, 1.8/6519=9...(23) * HG3 LYS 106 + HE3 LYS 106 OK 82 100 - 82 - 3.6=61, 1.8/6519=9...(23) HG3 LYS 16 - HE3 LYS 40 OK 14 64 - 22 - 2766/3.0=3, 2766/3.0=3...(7) HG3 LYS 16 - HE2 LYS 20 lone 3 74 - 4 - HG3 LYS 16 - HE3 LYS 20 lone 3 74 - 4 - HG3 LYS 106 - HE2 LYS 20 lone 1 78 - 1 - HG3 LYS 106 - HE3 LYS 20 lone 1 78 - 1 - HB3 LEU 114 - HE3 LYS 106 lone 1 99 - 1 - HB3 LEU 114 - HE2 LYS 106 lone 1 99 - 1 - QB ALA 113 - HE3 LYS 106 lone 0 96 - 1 - QB ALA 113 - HE2 LYS 106 lone 0 95 - 1 - HG3 LYS 106 - HE3 LYS 40 lone 0 68 - 1 - HG3 LYS 16 - HE2 LYS 106 lone 0 98 - 0 - HG3 LYS 16 - HE3 LYS 106 lone 0 98 - 0 - QB ALA 113 - HE3 LYS 20 lone 0 71 - 0 - QB ALA 113 - HE2 LYS 20 lone 0 71 - 0 - HB3 GLN 83 - HE3 LYS 106 lone 0 65 - 0 - HB3 GLN 83 - HE2 LYS 106 lone 0 65 - 0 - HB3 LEU 114 - HE2 LYS 20 lone 0 75 - 0 - HB3 LEU 114 - HE3 LYS 20 lone 0 75 - 0 - HB3 LEU 114 - HE3 LYS 40 lone 0 65 - 0 - QB ALA 113 - HE3 LYS 40 lone 0 61 - 0 - HB3 GLN 83 - HE3 LYS 20 lone 0 44 - 0 - HB3 GLN 83 - HE2 LYS 20 lone 0 44 - 0 - HB3 GLN 83 - HE3 LYS 40 lone 0 37 - 0 - Peak 6531 from cnoeabs.peaks (1.56, 2.95, 41.78 ppm; 2.92 A): 4 out of 55 assignments used, quality = 1.00: * HD2 LYS 106 + HE3 LYS 106 OK 96 100 - 96 - 3.0=94, 3.0/6520=10...(11) HD3 LYS 106 + HE3 LYS 106 OK 96 100 - 96 - 3.0=94, 3.0/6520=10...(11) HD2 LYS 106 + HE2 LYS 106 OK 96 100 - 96 - 3.0=94, 3.0/6520=10...(11) HD3 LYS 106 + HE2 LYS 106 OK 96 100 - 96 - 3.0=94, 3.0/6520=10...(11) HG3 LYS 96 - HE2 LYS 20 lone 6 69 - 9 - HG3 LYS 96 - HE3 LYS 20 lone 6 69 - 9 - HG3 LYS 96 - HE3 LYS 40 lone 4 59 - 6 - HD3 LYS 106 - HE2 LYS 20 lone 1 78 - 1 - HD3 LYS 106 - HE3 LYS 20 lone 1 78 - 1 - HD2 LYS 106 - HE3 LYS 20 lone 1 78 - 1 - HD2 LYS 106 - HE2 LYS 20 lone 1 78 - 1 - HG2 LYS 115 - HE3 LYS 106 lone 1 100 - 1 - HG2 LYS 115 - HE2 LYS 106 lone 1 100 - 1 - HB3 LEU 70 - HE3 LYS 20 lone 1 69 - 1 - HB3 LEU 70 - HE2 LYS 20 lone 1 69 - 1 - HG2 LYS 115 - HE2 LYS 20 lone 1 78 - 1 - HG2 LYS 115 - HE3 LYS 20 lone 1 78 - 1 - HG2 LYS 115 - HE3 LYS 40 lone 1 68 - 1 - HG2 LYS 123 - HE3 LYS 106 lone 0 81 - 1 - HG2 LYS 123 - HE2 LYS 106 lone 0 80 - 1 - HB3 LEU 70 - HE3 LYS 106 lone 0 94 - 0 - HB3 LEU 70 - HE2 LYS 106 lone 0 94 - 0 - HG3 LYS 96 - HE2 LYS 106 lone 0 94 - 0 - HG3 LYS 96 - HE3 LYS 106 lone 0 94 - 0 - HG LEU 55 - HE3 LYS 106 lone 0 99 - 0 - HG LEU 55 - HE2 LYS 106 lone 0 99 - 0 - HG12 ILE 3 - HE3 LYS 106 lone 0 100 - 0 - HG12 ILE 3 - HE2 LYS 106 lone 0 100 - 0 - HG2 LYS 123 - HE2 LYS 20 lone 0 56 - 1 - HG2 LYS 123 - HE3 LYS 20 lone 0 56 - 1 - HG2 LYS 123 - HE3 LYS 40 lone 0 48 - 1 - HG2 LYS 65 - HE3 LYS 106 lone 0 87 - 0 - HG2 LYS 65 - HE2 LYS 106 lone 0 87 - 0 - HD2 LYS 106 - HE3 LYS 40 lone 0 68 - 0 - HD3 LYS 106 - HE3 LYS 40 lone 0 68 - 0 - HB VAL 78 - HE3 LYS 106 lone 0 99 - 0 - HB VAL 78 - HE2 LYS 106 lone 0 99 - 0 - QB ALA 46 - HE2 LYS 20 lone 0 64 - 0 - QB ALA 46 - HE3 LYS 20 lone 0 64 - 0 - QB ALA 46 - HE3 LYS 106 lone 0 90 - 0 - QB ALA 46 - HE2 LYS 106 lone 0 89 - 0 - HG2 LYS 65 - HE3 LYS 40 lone 0 53 - 0 - HB3 LEU 70 - HE3 LYS 40 lone 0 59 - 0 - HG LEU 55 - HE3 LYS 20 lone 0 75 - 0 - HG LEU 55 - HE2 LYS 20 lone 0 75 - 0 - HG2 LYS 65 - HE3 LYS 20 lone 0 62 - 0 - HG2 LYS 65 - HE2 LYS 20 lone 0 62 - 0 - HG12 ILE 3 - HE2 LYS 20 lone 0 78 - 0 - HG12 ILE 3 - HE3 LYS 20 lone 0 78 - 0 - HB VAL 78 - HE2 LYS 20 lone 0 76 - 0 - HB VAL 78 - HE3 LYS 20 lone 0 76 - 0 - HG LEU 55 - HE3 LYS 40 lone 0 65 - 0 - HG12 ILE 3 - HE3 LYS 40 lone 0 68 - 0 - HB VAL 78 - HE3 LYS 40 lone 0 66 - 0 - QB ALA 46 - HE3 LYS 40 lone 0 55 - 0 - Peak 6532 from cnoeabs.peaks (1.56, 2.95, 41.78 ppm; 2.92 A): 4 out of 55 assignments used, quality = 1.00: * HD3 LYS 106 + HE3 LYS 106 OK 96 100 - 96 - 3.0=94, 3.0/6520=10...(11) HD2 LYS 106 + HE3 LYS 106 OK 96 100 - 96 - 3.0=94, 3.0/6520=10...(11) HD3 LYS 106 + HE2 LYS 106 OK 96 100 - 96 - 3.0=94, 3.0/6520=10...(11) HD2 LYS 106 + HE2 LYS 106 OK 96 100 - 96 - 3.0=94, 3.0/6520=10...(11) HG3 LYS 96 - HE3 LYS 20 lone 7 71 - 9 - HG3 LYS 96 - HE2 LYS 20 lone 7 71 - 9 - HG3 LYS 96 - HE3 LYS 40 lone 4 61 - 6 - HD3 LYS 106 - HE2 LYS 20 lone 1 78 - 1 - HD3 LYS 106 - HE3 LYS 20 lone 1 78 - 1 - HD2 LYS 106 - HE3 LYS 20 lone 1 78 - 1 - HD2 LYS 106 - HE2 LYS 20 lone 1 78 - 1 - HG2 LYS 115 - HE3 LYS 106 lone 1 100 - 1 - HG2 LYS 115 - HE2 LYS 106 lone 1 100 - 1 - HB3 LEU 70 - HE2 LYS 20 lone 1 71 - 1 - HB3 LEU 70 - HE3 LYS 20 lone 1 71 - 1 - HG2 LYS 115 - HE2 LYS 20 lone 1 78 - 1 - HG2 LYS 115 - HE3 LYS 20 lone 1 78 - 1 - HG2 LYS 115 - HE3 LYS 40 lone 1 68 - 1 - HG2 LYS 123 - HE2 LYS 106 lone 0 84 - 1 - HG2 LYS 123 - HE3 LYS 106 lone 0 84 - 1 - HG3 LYS 96 - HE2 LYS 106 lone 0 95 - 0 - HB3 LEU 70 - HE3 LYS 106 lone 0 96 - 0 - HB3 LEU 70 - HE2 LYS 106 lone 0 95 - 0 - HG3 LYS 96 - HE3 LYS 106 lone 0 96 - 0 - HG2 LYS 123 - HE3 LYS 20 lone 0 59 - 1 - HG2 LYS 123 - HE2 LYS 20 lone 0 59 - 1 - HG2 LYS 123 - HE3 LYS 40 lone 0 50 - 1 - HG LEU 55 - HE3 LYS 106 lone 0 99 - 0 - HG LEU 55 - HE2 LYS 106 lone 0 99 - 0 - HG12 ILE 3 - HE3 LYS 106 lone 0 100 - 0 - HG12 ILE 3 - HE2 LYS 106 lone 0 100 - 0 - HG2 LYS 65 - HE3 LYS 106 lone 0 84 - 0 - HG2 LYS 65 - HE2 LYS 106 lone 0 84 - 0 - HD3 LYS 106 - HE3 LYS 40 lone 0 68 - 0 - HD2 LYS 106 - HE3 LYS 40 lone 0 68 - 0 - HB VAL 78 - HE3 LYS 106 lone 0 99 - 0 - HB VAL 78 - HE2 LYS 106 lone 0 99 - 0 - QB ALA 46 - HE3 LYS 20 lone 0 62 - 0 - QB ALA 46 - HE2 LYS 20 lone 0 62 - 0 - HB3 LEU 70 - HE3 LYS 40 lone 0 61 - 0 - QB ALA 46 - HE3 LYS 106 lone 0 87 - 0 - QB ALA 46 - HE2 LYS 106 lone 0 87 - 0 - HG LEU 55 - HE3 LYS 20 lone 0 76 - 0 - HG LEU 55 - HE2 LYS 20 lone 0 76 - 0 - HG2 LYS 65 - HE3 LYS 40 lone 0 50 - 0 - HG2 LYS 65 - HE3 LYS 20 lone 0 59 - 0 - HG2 LYS 65 - HE2 LYS 20 lone 0 59 - 0 - HG12 ILE 3 - HE2 LYS 20 lone 0 78 - 0 - HG12 ILE 3 - HE3 LYS 20 lone 0 78 - 0 - HB VAL 78 - HE2 LYS 20 lone 0 75 - 0 - HB VAL 78 - HE3 LYS 20 lone 0 75 - 0 - HG LEU 55 - HE3 LYS 40 lone 0 66 - 0 - HG12 ILE 3 - HE3 LYS 40 lone 0 68 - 0 - HB VAL 78 - HE3 LYS 40 lone 0 65 - 0 - QB ALA 46 - HE3 LYS 40 lone 0 53 - 0 - Peak 6533 from cnoeabs.peaks (2.95, 2.95, 41.78 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HE3 LYS 106 + HE3 LYS 106 OK 100 100 - 100 HE2 LYS 106 + HE2 LYS 106 OK 100 100 - 100 HE2 LYS 20 + HE2 LYS 20 OK 62 62 - 100 HE3 LYS 20 + HE3 LYS 20 OK 62 62 - 100 HE3 LYS 40 + HE3 LYS 40 OK 48 48 - 100 Reference assignment not found: HE2 LYS 106 - HE3 LYS 106 Peak 6534 from cnoeabs.peaks (2.95, 2.95, 41.78 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HE3 LYS 106 + HE3 LYS 106 OK 100 100 - 100 HE2 LYS 106 + HE2 LYS 106 OK 100 100 - 100 HE2 LYS 20 + HE2 LYS 20 OK 64 64 - 100 HE3 LYS 20 + HE3 LYS 20 OK 64 64 - 100 HE3 LYS 40 + HE3 LYS 40 OK 50 50 - 100 Peak 6535 from cnoeabs.peaks (8.55, 4.62, 60.22 ppm; 4.29 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 107 + HA VAL 107 OK 100 100 - 100 - 3.0=100 Peak 6536 from cnoeabs.peaks (4.62, 4.62, 60.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 107 + HA VAL 107 OK 100 100 - 100 Peak 6537 from cnoeabs.peaks (2.12, 4.62, 60.22 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 107 + HA VAL 107 OK 100 100 - 100 - 3.0=100 Peak 6538 from cnoeabs.peaks (0.87, 4.62, 60.22 ppm; 3.47 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 107 + HA VAL 107 OK 100 100 - 100 - 3.2=100 Peak 6539 from cnoeabs.peaks (0.76, 4.62, 60.22 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 107 + HA VAL 107 OK 100 100 - 100 - 3.2=100 Peak 6540 from cnoeabs.peaks (8.55, 2.12, 35.23 ppm; 4.85 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 107 + HB VAL 107 OK 100 100 - 100 - 4.0=100 Peak 6541 from cnoeabs.peaks (4.62, 2.12, 35.23 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 107 + HB VAL 107 OK 100 100 - 100 - 3.0=100 Peak 6542 from cnoeabs.peaks (2.12, 2.12, 35.23 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HB VAL 107 + HB VAL 107 OK 100 100 - 100 HG2 GLU 21 + HG2 GLU 21 OK 68 68 - 100 HG3 GLU 21 + HG3 GLU 21 OK 54 54 - 100 Peak 6543 from cnoeabs.peaks (0.87, 2.12, 35.23 ppm; 3.32 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 107 + HB VAL 107 OK 100 100 - 100 - 2.1=100 Peak 6544 from cnoeabs.peaks (0.76, 2.12, 35.23 ppm; 3.11 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 107 + HB VAL 107 OK 100 100 - 100 - 2.1=100 Peak 6545 from cnoeabs.peaks (8.55, 0.87, 20.76 ppm; 3.64 A): 1 out of 2 assignments used, quality = 0.91: * H VAL 107 + QG2 VAL 107 OK 91 100 - 91 - 4.0=75, 6550/2.1=31...(13) H ILE 57 - QG2 VAL 107 lone 6 81 - 7 - 6550/2.1=1, 1374=1, 4.4/11417=1 Peak 6546 from cnoeabs.peaks (4.62, 0.87, 20.76 ppm; 3.52 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 107 + QG2 VAL 107 OK 100 100 - 100 - 3.2=100 Peak 6547 from cnoeabs.peaks (2.12, 0.87, 20.76 ppm; 2.92 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 107 + QG2 VAL 107 OK 100 100 - 100 - 2.1=100 Peak 6548 from cnoeabs.peaks (0.87, 0.87, 20.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 107 + QG2 VAL 107 OK 100 100 - 100 Peak 6549 from cnoeabs.peaks (0.76, 0.87, 20.76 ppm; 2.85 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 107 + QG2 VAL 107 OK 100 100 - 100 - 2.1=100 Peak 6550 from cnoeabs.peaks (8.55, 0.76, 21.72 ppm; 3.81 A): 1 out of 2 assignments used, quality = 0.95: * H VAL 107 + QG1 VAL 107 OK 95 100 - 95 - 4.0=86, 6545/2.1=34...(12) H ILE 57 - QG1 VAL 107 lone 5 81 - 6 - 6545/2.1=2 Peak 6551 from cnoeabs.peaks (4.62, 0.76, 21.72 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 107 + QG1 VAL 107 OK 100 100 - 100 - 3.2=100 Peak 6552 from cnoeabs.peaks (2.12, 0.76, 21.72 ppm; 2.96 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 107 + QG1 VAL 107 OK 100 100 - 100 - 2.1=100 Peak 6553 from cnoeabs.peaks (0.87, 0.76, 21.72 ppm; 2.55 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 107 + QG1 VAL 107 OK 100 100 - 100 - 2.1=100 Peak 6554 from cnoeabs.peaks (0.76, 0.76, 21.72 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 107 + QG1 VAL 107 OK 100 100 - 100 Peak 6556 from cnoeabs.peaks (4.78, 4.78, 62.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA THR 108 + HA THR 108 OK 100 100 - 100 Peak 6557 from cnoeabs.peaks (4.22, 4.78, 62.22 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 108 + HA THR 108 OK 100 100 - 100 - 3.0=100 Peak 6558 from cnoeabs.peaks (1.25, 4.78, 62.22 ppm; 6.02 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 108 + HA THR 108 OK 100 100 - 100 - 3.2=100 Peak 6559 from cnoeabs.peaks (8.60, 4.22, 69.97 ppm; 3.99 A): 1 out of 8 assignments used, quality = 0.98: * H THR 108 + HB THR 108 OK 98 100 - 98 - 4.0=95, 1718/2.1=33...(5) H GLN 85 - HB THR 108 OK 34 84 - 41 - ~10030=15, ~10331=12...(5) H LYS 94 - HB THR 108 OK 24 100 - 24 - 2155=5, 3.6/10332=4...(7) H LEU 80 - HB THR 108 lone 2 100 - 2 - H ILE 71 - HB THR 108 lone 2 98 - 2 - H LYS 49 - HB THR 108 lone 2 100 - 2 - H ALA 124 - HB THR 108 lone 2 100 - 2 - H ASP 12 - HB THR 108 lone 1 65 - 1 - Peak 6560 from cnoeabs.peaks (4.78, 4.22, 69.97 ppm; 3.34 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 108 + HB THR 108 OK 100 100 - 100 - 3.0=100 Peak 6561 from cnoeabs.peaks (4.22, 4.22, 69.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB THR 108 + HB THR 108 OK 100 100 - 100 Peak 6562 from cnoeabs.peaks (1.25, 4.22, 69.97 ppm; 2.96 A): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 108 + HB THR 108 OK 100 100 - 100 - 2.1=100 Peak 6563 from cnoeabs.peaks (8.60, 1.25, 21.44 ppm; 3.96 A): 2 out of 8 assignments used, quality = 0.99: * H THR 108 + QG2 THR 108 OK 98 100 - 98 - 4.0=96, 1717/2.1=31...(6) H GLN 85 + QG2 THR 108 OK 51 84 - 61 - 3.0/10030=26...(9) H LYS 94 - QG2 THR 108 OK 16 100 - 16 - 2155/2.1=6, 3.6/10331=4...(4) H LEU 80 - QG2 THR 108 lone 3 100 - 3 - H LYS 49 - QG2 THR 108 lone 2 100 - 2 - H ILE 71 - QG2 THR 108 lone 2 98 - 2 - H ALA 124 - QG2 THR 108 lone 2 100 - 2 - H ASP 12 - QG2 THR 108 lone 1 65 - 1 - Peak 6564 from cnoeabs.peaks (4.78, 1.25, 21.44 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * HA THR 108 + QG2 THR 108 OK 100 100 - 100 - 3.2=100 Peak 6565 from cnoeabs.peaks (4.22, 1.25, 21.44 ppm; 2.99 A): 1 out of 1 assignment used, quality = 1.00: * HB THR 108 + QG2 THR 108 OK 100 100 - 100 - 2.1=100 Peak 6566 from cnoeabs.peaks (1.25, 1.25, 21.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 THR 108 + QG2 THR 108 OK 100 100 - 100 Peak 6568 from cnoeabs.peaks (4.74, 4.74, 53.85 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA ASP 109 + HA ASP 109 OK 100 100 - 100 HA ARG 30 + HA ARG 30 OK 99 99 - 100 Peak 6569 from cnoeabs.peaks (2.82, 4.74, 53.85 ppm; 4.28 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 109 + HA ASP 109 OK 100 100 - 100 - 3.0=100 Peak 6570 from cnoeabs.peaks (2.73, 4.74, 53.85 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 109 + HA ASP 109 OK 100 100 - 100 - 3.0=100 Peak 6571 from cnoeabs.peaks (8.04, 2.82, 43.69 ppm; 3.75 A): 1 out of 9 assignments used, quality = 0.92: * H ASP 109 + HB2 ASP 109 OK 92 100 - 92 - 4.0=82, 1722/1.8=41...(4) H LEU 90 - HB2 ASP 109 lone 7 90 - 8 - 6575/1.8=2, 4.6/10342=2 H ARG 118 - HB2 ASP 109 lone 6 92 - 7 - 6575/1.8=3, 4.3/10360=2 H THR 9 - HB2 ASP 109 lone 4 96 - 4 - 6575/1.8=1, 3.9/10360=1 H VAL 22 - HB2 ASP 109 lone 4 100 - 4 - 6575/1.8=1 H LYS 65 - HB2 ASP 109 lone 4 100 - 4 - 6575/1.8=1 H GLN 122 - HB2 ASP 109 lone 2 65 - 3 - H SER 72 - HB2 ASP 109 lone 1 84 - 1 - H GLY 26 - HB2 ASP 109 lone 1 73 - 1 - Peak 6572 from cnoeabs.peaks (4.74, 2.82, 43.69 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 109 + HB2 ASP 109 OK 100 100 - 100 - 3.0=100 Peak 6573 from cnoeabs.peaks (2.82, 2.82, 43.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 109 + HB2 ASP 109 OK 100 100 - 100 Peak 6574 from cnoeabs.peaks (2.73, 2.82, 43.69 ppm; 2.64 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 109 + HB2 ASP 109 OK 100 100 - 100 - 1.8=100 Peak 6575 from cnoeabs.peaks (8.04, 2.73, 43.69 ppm; 3.77 A): 1 out of 9 assignments used, quality = 0.93: * H ASP 109 + HB3 ASP 109 OK 93 100 - 93 - 4.0=83, 1721/1.8=41...(5) H ARG 118 - HB3 ASP 109 lone 9 92 - 10 - 4.7/11123=2, 4.3/10364=2...(4) H LEU 90 - HB3 ASP 109 lone 7 90 - 8 - 6571/1.8=2, 4.6/10343=2 H THR 9 - HB3 ASP 109 lone 5 96 - 5 - 6571/1.8=1, 3.9/10364=1 H LYS 65 - HB3 ASP 109 lone 4 100 - 4 - 6571/1.8=1 H VAL 22 - HB3 ASP 109 lone 4 100 - 4 - 6571/1.8=1 H GLN 122 - HB3 ASP 109 lone 2 65 - 3 - H SER 72 - HB3 ASP 109 lone 1 84 - 1 - H GLY 26 - HB3 ASP 109 lone 1 73 - 1 - Peak 6576 from cnoeabs.peaks (4.74, 2.73, 43.69 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 109 + HB3 ASP 109 OK 100 100 - 100 - 3.0=100 Peak 6577 from cnoeabs.peaks (2.82, 2.73, 43.69 ppm; 2.69 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 109 + HB3 ASP 109 OK 100 100 - 100 - 1.8=100 Peak 6578 from cnoeabs.peaks (2.73, 2.73, 43.69 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 109 + HB3 ASP 109 OK 100 100 - 100 Peak 6579 from cnoeabs.peaks (8.70, 4.09, 57.39 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 110 + HA ASP 110 OK 100 100 - 100 - 3.0=100 Peak 6580 from cnoeabs.peaks (4.09, 4.09, 57.39 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ASP 110 + HA ASP 110 OK 100 100 - 100 Peak 6581 from cnoeabs.peaks (2.42, 4.09, 57.39 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 110 + HA ASP 110 OK 100 100 - 100 - 3.0=100 Peak 6582 from cnoeabs.peaks (2.68, 4.09, 57.39 ppm; 3.82 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 110 + HA ASP 110 OK 100 100 - 100 - 3.0=100 Peak 6583 from cnoeabs.peaks (8.70, 2.42, 40.30 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 110 + HB2 ASP 110 OK 100 100 - 100 - 4.0=100 Peak 6584 from cnoeabs.peaks (4.09, 2.42, 40.30 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 110 + HB2 ASP 110 OK 100 100 - 100 - 3.0=100 Peak 6585 from cnoeabs.peaks (2.42, 2.42, 40.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 110 + HB2 ASP 110 OK 100 100 - 100 Peak 6586 from cnoeabs.peaks (2.68, 2.42, 40.30 ppm; 2.88 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 110 + HB2 ASP 110 OK 100 100 - 100 - 1.8=100 Peak 6587 from cnoeabs.peaks (8.70, 2.68, 40.30 ppm; 3.92 A): 1 out of 3 assignments used, quality = 0.98: * H ASP 110 + HB3 ASP 110 OK 98 100 - 98 - 4.0=96, 1725/1.8=29...(5) H ASP 86 - HB3 ASP 110 lone 6 99 - 6 - 699/4.4=2, 10045/10328=1 H ARG 105 - HB3 ASP 110 lone 2 94 - 2 - Peak 6588 from cnoeabs.peaks (4.09, 2.68, 40.30 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HA ASP 110 + HB3 ASP 110 OK 100 100 - 100 - 3.0=100 Peak 6589 from cnoeabs.peaks (2.42, 2.68, 40.30 ppm; 2.87 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ASP 110 + HB3 ASP 110 OK 100 100 - 100 - 1.8=100 Peak 6590 from cnoeabs.peaks (2.68, 2.68, 40.30 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ASP 110 + HB3 ASP 110 OK 100 100 - 100 Peak 6591 from cnoeabs.peaks (8.21, 3.99, 59.36 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 111 + HA GLU 111 OK 100 100 - 100 - 2.9=100 Peak 6592 from cnoeabs.peaks (3.99, 3.99, 59.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 111 + HA GLU 111 OK 100 100 - 100 Peak 6593 from cnoeabs.peaks (2.10, 3.99, 59.36 ppm; 3.12 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 111 + HA GLU 111 OK 100 100 - 100 - 3.0=100 Peak 6594 from cnoeabs.peaks (2.02, 3.99, 59.36 ppm; 3.06 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 111 + HA GLU 111 OK 100 100 - 100 - 3.0=100 Peak 6595 from cnoeabs.peaks (2.29, 3.99, 59.36 ppm; 3.65 A): 2 out of 10 assignments used, quality = 0.98: * HG2 GLU 111 + HA GLU 111 OK 95 100 - 95 - 3.9=85, 1731/2.9=12...(20) HG3 GLU 111 + HA GLU 111 OK 62 65 - 95 - 3.9=85, ~6603=9, ~6597=9...(20) HG2 GLU 87 - HA GLU 111 OK 11 96 - 11 - 1731/2.9=3, 707/3.6=2...(4) HG3 GLU 87 - HA GLU 111 OK 11 96 - 11 - 1731/2.9=3, 707/3.6=2...(4) HB2 GLU 37 - HA GLU 111 lone 5 65 - 7 - ~7463=2, ~7465=1, 1732/2.9=1 HB3 ASN 8 - HA GLU 111 lone 3 81 - 3 - 9104/11422=2 HG2 GLU 69 - HA GLU 111 lone 2 81 - 2 - HB2 MET 121 - HA GLU 111 lone 2 100 - 2 - HG3 GLU 91 - HA GLU 111 lone 2 100 - 2 - HG2 GLU 47 - HA GLU 111 lone 1 96 - 1 - Peak 6596 from cnoeabs.peaks (2.27, 3.99, 59.36 ppm; 3.73 A): 2 out of 9 assignments used, quality = 0.99: * HG3 GLU 111 + HA GLU 111 OK 97 100 - 97 - 3.9=90, 1732/2.9=13...(21) HG2 GLU 111 + HA GLU 111 OK 63 65 - 97 - 3.9=90, ~6603=9, ~6597=9...(20) HB2 GLU 37 - HA GLU 111 lone 9 100 - 8 - 1732/2.9=2, ~7463=2...(4) HG2 GLU 89 - HA GLU 111 lone 6 98 - 6 - 1732/2.9=2, 708/3.6=1 HB3 ASN 8 - HA GLU 111 lone 4 99 - 4 - 9104/11422=3 HG2 GLU 69 - HA GLU 111 lone 3 99 - 3 - HG3 GLU 92 - HA GLU 111 lone 3 99 - 3 - HG2 GLU 103 - HA GLU 111 lone 1 84 - 2 - HG3 GLU 91 - HA GLU 111 lone 1 65 - 1 - Peak 6597 from cnoeabs.peaks (8.21, 2.10, 28.50 ppm; 3.40 A): 2 out of 4 assignments used, quality = 0.86: * H GLU 111 + HB2 GLU 111 OK 83 100 - 83 - 3.9=65, 6603/1.8=28...(8) H GLU 89 + HB2 GLU 111 OK 18 96 - 19 - 6603/1.8=6, 3.0/8181=3...(6) H LEU 38 - HB2 GLU 111 lone 4 92 - 4 - 6603/1.8=1 H ASP 84 - HB2 GLU 111 lone 2 96 - 2 - Peak 6598 from cnoeabs.peaks (3.99, 2.10, 28.50 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 111 + HB2 GLU 111 OK 100 100 - 100 - 3.0=100 Peak 6599 from cnoeabs.peaks (2.10, 2.10, 28.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 111 + HB2 GLU 111 OK 100 100 - 100 Peak 6600 from cnoeabs.peaks (2.02, 2.10, 28.50 ppm; 2.63 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 111 + HB2 GLU 111 OK 100 100 - 100 - 1.8=100 Peak 6601 from cnoeabs.peaks (2.29, 2.10, 28.50 ppm; 3.18 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 111 + HB2 GLU 111 OK 100 100 - 100 - 3.0=100 HG3 GLU 111 + HB2 GLU 111 OK 65 65 - 100 - 3.0=100 Peak 6602 from cnoeabs.peaks (2.27, 2.10, 28.50 ppm; 3.30 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 111 + HB2 GLU 111 OK 100 100 - 100 - 3.0=100 HG2 GLU 111 + HB2 GLU 111 OK 65 65 - 100 - 3.0=100 Peak 6603 from cnoeabs.peaks (8.21, 2.02, 28.50 ppm; 3.43 A): 2 out of 4 assignments used, quality = 0.88: * H GLU 111 + HB3 GLU 111 OK 85 100 - 85 - 3.9=67, 6597/1.8=28...(7) H GLU 89 + HB3 GLU 111 OK 18 96 - 19 - 6597/1.8=6, 1588/3.0=3...(6) H LEU 38 - HB3 GLU 111 lone 3 92 - 3 - 6597/1.8=1 H ASP 84 - HB3 GLU 111 lone 1 96 - 1 - Peak 6604 from cnoeabs.peaks (3.99, 2.02, 28.50 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 111 + HB3 GLU 111 OK 100 100 - 100 - 3.0=100 Peak 6605 from cnoeabs.peaks (2.10, 2.02, 28.50 ppm; 2.66 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 111 + HB3 GLU 111 OK 100 100 - 100 - 1.8=100 Peak 6606 from cnoeabs.peaks (2.02, 2.02, 28.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 111 + HB3 GLU 111 OK 100 100 - 100 Peak 6607 from cnoeabs.peaks (2.29, 2.02, 28.50 ppm; 3.26 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLU 111 + HB3 GLU 111 OK 100 100 - 100 - 3.0=100 HG3 GLU 111 + HB3 GLU 111 OK 65 65 - 100 - 3.0=100 Peak 6608 from cnoeabs.peaks (2.27, 2.02, 28.50 ppm; 3.44 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 111 + HB3 GLU 111 OK 100 100 - 100 - 3.0=100 HG2 GLU 111 + HB3 GLU 111 OK 65 65 - 100 - 3.0=100 Peak 6609 from cnoeabs.peaks (8.21, 2.29, 36.01 ppm; 3.88 A): 3 out of 20 assignments used, quality = 0.93: * H GLU 111 + HG2 GLU 111 OK 83 100 - 83 - 5.2=43, 6603/3.0=26...(8) H GLU 89 + HG3 GLU 87 OK 36 83 - 43 - 554/5.0=16, 2131/4.9=9...(9) H GLU 89 + HG2 GLU 87 OK 36 83 - 43 - 554/5.0=16, 2131/4.9=9...(9) H GLU 89 - HG2 GLU 111 OK 26 96 - 28 - 6597/3.0=6, 6603/3.0=6...(9) H GLU 111 - HG2 GLU 87 OK 18 90 - 20 - 1731=5, 1731/1.8=4...(8) H GLU 111 - HG3 GLU 87 OK 18 90 - 20 - 1731=5, 1731/1.8=4...(8) H LEU 38 - HG2 GLU 111 lone 5 92 - 6 - 207/1.8=2, 6597/3.0=1 H ASP 84 - HG3 GLU 87 lone 4 83 - 5 - 11577/11569=2, 10019/10326=2 H ASP 84 - HG2 GLU 87 lone 4 83 - 5 - 11577/11569=2, 10019/10326=2 H LEU 38 - HG2 GLU 69 lone 4 52 - 7 - 207=2, 209/1.8=1...(4) H LEU 38 - HG2 GLU 87 lone 2 78 - 3 - 4.4/10057=1 H LEU 38 - HG3 GLU 87 lone 2 78 - 3 - 4.4/10057=1 H ASP 84 - HG2 GLU 111 lone 2 96 - 2 - H GLU 111 - HG2 GLU 69 lone 2 63 - 3 - H GLU 89 - HG2 GLU 69 lone 1 56 - 3 - H GLU 89 - HG2 GLU 47 lone 1 49 - 3 - H GLU 111 - HG2 GLU 47 lone 1 56 - 2 - H LEU 38 - HG2 GLU 47 lone 1 46 - 1 - H ASP 84 - HG2 GLU 47 lone 0 49 - 1 - H ASP 84 - HG2 GLU 69 lone 0 56 - 1 - Peak 6610 from cnoeabs.peaks (3.99, 2.29, 36.01 ppm; 3.92 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 111 + HG2 GLU 111 OK 100 100 - 100 - 3.9=100 Peak 6611 from cnoeabs.peaks (2.10, 2.29, 36.01 ppm; 2.40 A): 3 out of 90 assignments used, quality = 0.95: HB2 GLU 87 + HG2 GLU 87 OK 66 87 - 75 - 3.0=51, 5707/1.8=12...(15) HB2 GLU 87 + HG3 GLU 87 OK 66 87 - 75 - 3.0=51, 5707/1.8=12...(15) * HB2 GLU 111 + HG2 GLU 111 OK 58 100 - 58 - 3.0=51, 3.0/6595=5...(6) HB3 GLU 69 - HG2 GLU 69 OK 38 52 - 73 - 3.0=51, 5024/1.8=17...(14) HB3 GLU 47 - HG2 GLU 47 OK 26 44 - 58 - 3.0=51, 3.0/4042=7...(4) HB3 GLU 66 - HG2 GLU 69 poor 7 59 - 12 - 5024/1.8=3, 5013=2...(4) HB3 GLU 69 - HG2 GLU 111 lone 6 92 - 6 - 5013/1.8=1, ~5007=1...(4) HB2 GLU 112 - HG2 GLU 111 lone 5 77 - 6 - 4.0/7872=3 HB2 GLU 87 - HG2 GLU 111 lone 4 99 - 4 - 5707=1 HB3 GLU 112 - HG2 GLU 111 lone 4 73 - 6 - 4.0/7872=3 HB2 GLU 111 - HG2 GLU 87 lone 3 90 - 4 - HB2 GLU 111 - HG3 GLU 87 lone 3 90 - 4 - HB3 GLU 92 - HG2 GLU 69 lone 3 56 - 6 - HB3 GLU 47 - HG3 GLU 87 lone 3 76 - 4 - 3.0/4042=2, 4.0/1306=1 HB3 GLU 47 - HG2 GLU 87 lone 3 76 - 4 - 3.0/4042=2, 4.0/1306=1 HB3 GLU 66 - HG3 GLU 87 lone 3 86 - 3 - HB3 GLU 66 - HG2 GLU 87 lone 3 86 - 3 - HB3 GLU 69 - HG2 GLU 47 lone 2 46 - 4 - ~11350=1 HB3 GLU 92 - HG2 GLU 111 lone 2 96 - 2 - HB3 GLU 66 - HG2 GLU 111 lone 1 98 - 1 - HB2 GLU 111 - HG2 GLU 69 lone 1 63 - 2 - HB2 LEU 38 - HG2 GLU 87 lone 1 64 - 2 - HB2 LEU 38 - HG3 GLU 87 lone 1 64 - 2 - HB2 GLU 87 - HG2 GLU 47 lone 1 53 - 2 - HB2 GLU 112 - HG2 GLU 69 lone 1 41 - 2 - HB3 GLU 112 - HG2 GLU 69 lone 1 39 - 2 - HB3 GLU 92 - HG3 GLU 87 lone 1 83 - 1 - HB3 GLU 92 - HG2 GLU 87 lone 1 83 - 1 - HB2 GLU 112 - HG2 GLU 87 lone 1 64 - 1 - HB2 GLU 112 - HG3 GLU 87 lone 1 64 - 1 - HB3 GLU 47 - HG2 GLU 69 lone 1 50 - 2 - 8093/4.0=1 HB2 GLU 103 - HG2 GLU 87 lone 1 73 - 1 - HB2 GLU 103 - HG3 GLU 87 lone 1 73 - 1 - HB3 GLU 112 - HG2 GLU 87 lone 1 60 - 1 - HB3 GLU 112 - HG3 GLU 87 lone 1 60 - 1 - HB3 GLU 47 - HG2 GLU 111 lone 1 90 - 1 - HB VAL 107 - HG2 GLU 87 lone 1 57 - 1 - HB VAL 107 - HG3 GLU 87 lone 1 57 - 1 - HB3 GLU 69 - HG3 GLU 87 lone 0 78 - 1 - HB3 GLU 69 - HG2 GLU 87 lone 0 78 - 1 - HB3 GLU 119 - HG2 GLU 111 lone 0 77 - 1 - HB VAL 107 - HG2 GLU 111 lone 0 70 - 1 - HB2 GLU 87 - HG2 GLU 69 lone 0 60 - 1 - HB3 GLU 119 - HG2 GLU 87 lone 0 64 - 1 - HB3 GLU 119 - HG3 GLU 87 lone 0 64 - 1 - HB2 GLU 119 - HG2 GLU 111 lone 0 65 - 1 - HB2 LEU 38 - HG2 GLU 111 lone 0 77 - 0 - HB2 LEU 38 - HG2 GLU 69 lone 0 41 - 1 - HB2 GLU 103 - HG2 GLU 111 lone 0 87 - 0 - HB2 GLU 119 - HG2 GLU 87 lone 0 53 - 1 - HB2 GLU 119 - HG3 GLU 87 lone 0 53 - 1 - HB2 GLU 111 - HG2 GLU 47 lone 0 56 - 0 - HB2 GLU 103 - HG2 GLU 69 lone 0 48 - 0 - HB3 GLU 119 - HG2 GLU 69 lone 0 41 - 1 - HG3 GLN 83 - HG2 GLU 111 lone 0 65 - 0 - HG2 GLU 52 - HG3 GLU 87 lone 0 90 - 0 - HG2 GLU 52 - HG2 GLU 87 lone 0 90 - 0 - HG3 GLU 21 - HG2 GLU 111 lone 0 99 - 0 - HG2 GLU 52 - HG2 GLU 111 lone 0 100 - 0 - HG2 GLU 21 - HG2 GLU 111 lone 0 97 - 0 - HG3 GLU 21 - HG3 GLU 87 lone 0 87 - 0 - HG3 GLU 21 - HG2 GLU 87 lone 0 87 - 0 - HG2 GLU 21 - HG3 GLU 87 lone 0 85 - 0 - HG2 GLU 21 - HG2 GLU 87 lone 0 85 - 0 - HB2 GLU 119 - HG2 GLU 69 lone 0 34 - 0 - HG3 GLU 21 - HG2 GLU 69 lone 0 60 - 0 - HB3 GLU 92 - HG2 GLU 47 lone 0 49 - 0 - HG2 GLU 21 - HG2 GLU 69 lone 0 58 - 0 - HB3 GLU 66 - HG2 GLU 47 lone 0 52 - 0 - HG2 GLU 52 - HG2 GLU 69 lone 0 63 - 0 - HB2 GLU 21 - HG2 GLU 111 lone 0 70 - 0 - HB3 GLU 119 - HG2 GLU 47 lone 0 36 - 0 - HG3 GLN 83 - HG2 GLU 87 lone 0 53 - 0 - HG3 GLN 83 - HG3 GLU 87 lone 0 53 - 0 - HB2 GLU 112 - HG2 GLU 47 lone 0 36 - 0 - HG2 GLU 52 - HG2 GLU 47 lone 0 55 - 0 - HB2 GLU 103 - HG2 GLU 47 lone 0 42 - 0 - HB VAL 107 - HG2 GLU 69 lone 0 36 - 0 - HB2 GLU 21 - HG2 GLU 87 lone 0 57 - 0 - HB2 GLU 21 - HG3 GLU 87 lone 0 57 - 0 - HG3 GLU 21 - HG2 GLU 47 lone 0 53 - 0 - HG2 GLU 21 - HG2 GLU 47 lone 0 51 - 0 - HB3 GLU 112 - HG2 GLU 47 lone 0 34 - 0 - HB2 GLU 119 - HG2 GLU 47 lone 0 30 - 0 - HB2 LEU 38 - HG2 GLU 47 lone 0 36 - 0 - HB2 GLU 21 - HG2 GLU 69 lone 0 36 - 0 - HG3 GLN 83 - HG2 GLU 69 lone 0 34 - 0 - HB VAL 107 - HG2 GLU 47 lone 0 32 - 0 - HB2 GLU 21 - HG2 GLU 47 lone 0 32 - 0 - HG3 GLN 83 - HG2 GLU 47 lone 0 30 - 0 - Peak 6612 from cnoeabs.peaks (2.02, 2.29, 36.01 ppm; 2.63 A): 3 out of 60 assignments used, quality = 0.93: * HB3 GLU 111 + HG2 GLU 111 OK 73 100 - 73 - 3.0=67, 3.0/6595=7...(6) HB3 GLU 87 + HG3 GLU 87 OK 48 57 - 84 - 3.0=67, 1.8/5707=13...(15) HB3 GLU 87 + HG2 GLU 87 OK 48 57 - 84 - 3.0=67, 1.8/5707=13...(15) HB3 GLU 89 - HG2 GLU 111 lone 4 70 - 6 - 4.0/7872=1 HB2 GLU 89 - HG2 GLU 111 lone 4 70 - 6 - 4.0/7872=1 HB2 GLU 89 - HG3 GLU 87 lone 4 57 - 7 - 4.0/7872=1 HB2 GLU 89 - HG2 GLU 87 lone 4 57 - 7 - 4.0/7872=1 HB3 GLU 89 - HG3 GLU 87 lone 4 57 - 7 - 4.0/7872=1 HB3 GLU 89 - HG2 GLU 87 lone 4 57 - 7 - 4.0/7872=1 HB3 GLU 111 - HG2 GLU 87 lone 4 90 - 4 - HB3 GLU 111 - HG3 GLU 87 lone 4 90 - 4 - HB2 GLU 66 - HG2 GLU 69 poor 4 36 - 11 - ~5024=2, 1.8/5013=2, ~8133=1 HB3 GLU 87 - HG2 GLU 111 lone 4 70 - 5 - HB2 GLU 66 - HG3 GLU 87 lone 2 57 - 3 - HB2 GLU 66 - HG2 GLU 87 lone 2 57 - 3 - HB3 GLU 111 - HG2 GLU 69 lone 1 63 - 2 - HB2 GLU 66 - HG2 GLU 111 lone 1 70 - 1 - HB3 GLN 85 - HG3 GLU 87 lone 1 57 - 1 - HB3 GLN 85 - HG2 GLU 87 lone 1 57 - 1 - HB3 GLN 85 - HG2 GLU 111 lone 1 70 - 1 - HB3 GLU 87 - HG2 GLU 47 lone 1 32 - 2 - HB2 GLN 25 - HG2 GLU 111 lone 0 100 - 0 - HB2 MET 1 - HG2 GLU 111 lone 0 97 - 0 - HG3 GLU 128 - HG2 GLU 111 lone 0 94 - 0 - HG2 GLU 128 - HG2 GLU 111 lone 0 94 - 0 - HB2 GLU 89 - HG2 GLU 69 lone 0 36 - 1 - HB3 GLU 89 - HG2 GLU 69 lone 0 36 - 1 - HG3 GLU 128 - HG2 GLU 87 lone 0 81 - 0 - HG3 GLU 128 - HG3 GLU 87 lone 0 81 - 0 - HG2 GLU 128 - HG2 GLU 87 lone 0 81 - 0 - HG2 GLU 128 - HG3 GLU 87 lone 0 81 - 0 - HB3 GLU 111 - HG2 GLU 47 lone 0 56 - 0 - HB3 GLU 48 - HG2 GLU 111 lone 0 70 - 0 - HB2 GLU 48 - HG2 GLU 111 lone 0 70 - 0 - HB2 GLN 25 - HG2 GLU 87 lone 0 90 - 0 - HB2 GLN 25 - HG3 GLU 87 lone 0 90 - 0 - HB2 MET 1 - HG3 GLU 87 lone 0 85 - 0 - HB2 MET 1 - HG2 GLU 87 lone 0 85 - 0 - HB3 GLU 87 - HG2 GLU 69 lone 0 36 - 1 - HB3 GLU 48 - HG2 GLU 87 lone 0 57 - 0 - HB2 GLU 48 - HG3 GLU 87 lone 0 57 - 0 - HB3 GLU 48 - HG3 GLU 87 lone 0 57 - 0 - HB2 GLU 48 - HG2 GLU 87 lone 0 57 - 0 - HB2 GLN 25 - HG2 GLU 69 lone 0 62 - 0 - HB2 GLU 89 - HG2 GLU 47 lone 0 32 - 0 - HB3 GLU 89 - HG2 GLU 47 lone 0 32 - 0 - HB2 GLU 48 - HG2 GLU 47 lone 0 32 - 0 - HB3 GLU 48 - HG2 GLU 47 lone 0 32 - 0 - HB2 MET 1 - HG2 GLU 69 lone 0 58 - 0 - HG2 GLU 128 - HG2 GLU 69 lone 0 54 - 0 - HG3 GLU 128 - HG2 GLU 69 lone 0 54 - 0 - HB2 GLN 25 - HG2 GLU 47 lone 0 55 - 0 - HG3 GLU 128 - HG2 GLU 47 lone 0 48 - 0 - HG2 GLU 128 - HG2 GLU 47 lone 0 48 - 0 - HB2 MET 1 - HG2 GLU 47 lone 0 51 - 0 - HB3 GLN 85 - HG2 GLU 69 lone 0 36 - 0 - HB2 GLU 66 - HG2 GLU 47 lone 0 32 - 0 - HB3 GLN 85 - HG2 GLU 47 lone 0 32 - 0 - HB2 GLU 48 - HG2 GLU 69 lone 0 36 - 0 - HB3 GLU 48 - HG2 GLU 69 lone 0 36 - 0 - Peak 6613 from cnoeabs.peaks (2.29, 2.29, 36.01 ppm; diagonal): 4 out of 5 assignments used, quality = 1.00: * HG2 GLU 111 + HG2 GLU 111 OK 100 100 - 100 HG3 GLU 87 + HG3 GLU 87 OK 83 83 - 100 HG2 GLU 87 + HG2 GLU 87 OK 83 83 - 100 HG2 GLU 47 + HG2 GLU 47 OK 49 49 - 100 HG2 GLU 69 - HG2 GLU 69 OK 44 44 - 100 Peak 6614 from cnoeabs.peaks (2.27, 2.29, 36.01 ppm; diagonal): 2 out of 2 assignments used, quality = 0.87: HG2 GLU 111 + HG2 GLU 111 OK 65 65 - 100 HG2 GLU 69 + HG2 GLU 69 OK 61 61 - 100 Reference assignment not found: HG3 GLU 111 - HG2 GLU 111 Peak 6615 from cnoeabs.peaks (8.21, 2.27, 36.01 ppm; 3.71 A): 3 out of 20 assignments used, quality = 0.96: * H GLU 111 + HG3 GLU 111 OK 79 100 - 80 - 5.2=37, 6603/3.0=24...(8) H GLU 89 + HG2 GLU 89 OK 66 89 - 75 - 5.2=37, 3.0/5749=17...(13) H GLU 89 + HG3 GLU 92 OK 49 93 - 53 - 1588=11, 3.0/5749=10...(15) H GLU 89 - HG3 GLU 111 OK 24 96 - 25 - 1588=5, 6597/3.0=5...(7) H GLU 111 - HG2 GLU 89 lone 9 96 - 10 - 1732=2, 1730/3.0=1...(4) H LEU 38 - HG2 GLU 69 lone 8 89 - 10 - 207=2, 4.6/1228=2...(5) H LEU 38 - HG3 GLU 111 lone 6 92 - 6 - 207=2, 6597/3.0=1 H GLU 111 - HG2 GLU 69 lone 4 99 - 4 - 1732=1 H GLU 111 - HG3 GLU 92 lone 4 99 - 4 - 1732=1 H GLU 89 - HG2 GLU 69 lone 4 93 - 4 - H LEU 38 - HG3 GLU 92 lone 2 89 - 3 - H LEU 38 - HG2 GLU 89 lone 2 84 - 3 - H GLU 89 - HG2 GLU 103 lone 2 38 - 5 - 1588=1 H ASP 84 - HG3 GLU 111 lone 2 96 - 2 - H ASP 84 - HG2 GLU 89 lone 1 89 - 2 - H ASP 84 - HG3 GLU 92 lone 1 93 - 1 - H GLU 111 - HG2 GLU 103 lone 1 43 - 2 - H ASP 84 - HG2 GLU 69 lone 1 93 - 1 - H LEU 38 - HG2 GLU 103 lone 0 35 - 1 - H ASP 84 - HG2 GLU 103 lone 0 38 - 1 - Peak 6616 from cnoeabs.peaks (3.99, 2.27, 36.01 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 111 + HG3 GLU 111 OK 100 100 - 100 - 3.9=100 Peak 6617 from cnoeabs.peaks (2.10, 2.27, 36.01 ppm; 2.47 A): 3 out of 90 assignments used, quality = 0.97: HB3 GLU 92 + HG3 GLU 92 OK 72 93 - 78 - 3.0=56, 1.8/5858=16...(16) HB3 GLU 69 + HG2 GLU 69 OK 71 89 - 80 - 3.0=56, 1.8/5017=19...(15) * HB2 GLU 111 + HG3 GLU 111 OK 63 100 - 63 - 3.0=55, 3.0/6596=6...(6) HB3 GLU 92 - HG2 GLU 89 OK 28 89 - 32 - 5864=7, 1.8/5858=6...(10) HB2 GLU 103 - HG2 GLU 103 OK 19 32 - 60 - 3.0=57, 1683/4.8=4, 4.7/661=3 HB3 GLU 66 - HG2 GLU 69 OK 14 96 - 15 - 5024/1.8=3, 5013=3...(6) HB3 GLU 92 - HG2 GLU 69 poor 9 93 - 10 - 5864=2, 1.8/5858=2, 5024/1.8=1 HB3 GLU 69 - HG3 GLU 111 lone 8 92 - 9 - 1.8/5017=2, 5013=2 HB3 GLU 69 - HG3 GLU 92 lone 7 89 - 8 - 1.8/5017=2, 5013=2 HB2 GLU 112 - HG3 GLU 111 lone 6 77 - 8 - 4.0/708=3, 5013=1, 1.8/5013=1 HB3 GLU 112 - HG3 GLU 111 lone 6 73 - 8 - 4.0/708=3, 5013=1, 1.8/5013=1 HB3 GLU 119 - HG3 GLU 92 lone 5 74 - 7 - 5864=2, 5863/1.8=1, 1.8/5864=1 HB3 GLU 66 - HG3 GLU 92 lone 5 96 - 5 - HB3 GLU 66 - HG2 GLU 89 lone 4 92 - 5 - HB2 GLU 119 - HG3 GLU 92 lone 4 62 - 7 - 5864=1, 1.8/5864=1, 5863/1.8=1 HB2 GLU 87 - HG3 GLU 111 lone 4 99 - 4 - HB2 GLU 87 - HG2 GLU 89 lone 4 93 - 4 - HB2 GLU 111 - HG2 GLU 89 lone 4 96 - 4 - 8181/3.8=1 HB3 GLU 92 - HG3 GLU 111 lone 3 96 - 3 - HB2 GLU 111 - HG2 GLU 69 lone 3 99 - 3 - HB3 GLU 92 - HG2 GLU 103 lone 3 38 - 7 - 5864=1, 5863/1.8=1, 1.8/5858=1 HB3 GLU 47 - HG2 GLU 69 lone 2 86 - 3 - 4.0/7651=1, 8093/4.0=1 HB2 GLU 112 - HG2 GLU 69 lone 2 74 - 3 - HB3 GLU 112 - HG2 GLU 69 lone 2 70 - 3 - HB3 GLU 66 - HG3 GLU 111 lone 2 98 - 2 - HB3 GLU 119 - HG2 GLU 89 lone 2 70 - 2 - HB3 GLU 69 - HG2 GLU 89 lone 2 84 - 2 - HB2 GLU 111 - HG3 GLU 92 lone 2 99 - 2 - HB2 GLU 119 - HG2 GLU 89 lone 1 58 - 2 - HB2 LEU 38 - HG2 GLU 69 lone 1 74 - 2 - HB2 GLU 87 - HG3 GLU 92 lone 1 97 - 1 - HB2 GLU 87 - HG2 GLU 69 lone 1 97 - 1 - HB2 GLU 103 - HG3 GLU 92 lone 1 83 - 1 - HB2 GLU 112 - HG2 GLU 89 lone 1 70 - 1 - HB3 GLU 112 - HG2 GLU 89 lone 1 66 - 1 - HB3 GLU 47 - HG3 GLU 111 lone 1 90 - 1 - HB3 GLU 119 - HG2 GLU 69 lone 1 74 - 1 - HB2 GLU 112 - HG3 GLU 92 lone 1 74 - 1 - HB VAL 107 - HG3 GLU 92 lone 1 66 - 1 - HB2 LEU 38 - HG3 GLU 111 lone 1 77 - 1 - HB3 GLU 112 - HG3 GLU 92 lone 1 70 - 1 - HB3 GLU 119 - HG3 GLU 111 lone 1 77 - 1 - HB VAL 107 - HG3 GLU 111 lone 1 70 - 1 - HB3 GLU 47 - HG3 GLU 92 lone 0 86 - 1 - HB3 GLU 47 - HG2 GLU 89 lone 0 82 - 1 - HB2 GLU 119 - HG2 GLU 69 lone 0 62 - 1 - HB VAL 107 - HG2 GLU 89 lone 0 62 - 1 - HB2 GLU 119 - HG3 GLU 111 lone 0 65 - 1 - HB2 GLU 103 - HG2 GLU 69 lone 0 83 - 0 - HB2 GLU 103 - HG2 GLU 89 lone 0 79 - 1 - HB2 LEU 38 - HG3 GLU 92 lone 0 74 - 1 - HG3 GLU 21 - HG3 GLU 111 lone 0 99 - 0 - HB2 LEU 38 - HG2 GLU 89 lone 0 70 - 0 - HG2 GLU 21 - HG3 GLU 111 lone 0 97 - 0 - HG3 GLU 21 - HG2 GLU 69 lone 0 97 - 0 - HG2 GLU 21 - HG2 GLU 69 lone 0 94 - 0 - HB3 GLU 66 - HG2 GLU 103 lone 0 40 - 1 - HB2 GLU 103 - HG3 GLU 111 lone 0 87 - 0 - HB3 GLU 119 - HG2 GLU 103 lone 0 27 - 1 - HB VAL 107 - HG2 GLU 69 lone 0 66 - 0 - HG2 GLU 52 - HG2 GLU 69 lone 0 99 - 0 - HG3 GLU 21 - HG2 GLU 89 lone 0 93 - 0 - HG2 GLU 21 - HG2 GLU 89 lone 0 90 - 0 - HG3 GLN 83 - HG3 GLU 111 lone 0 65 - 0 - HG3 GLU 21 - HG3 GLU 92 lone 0 97 - 0 - HG2 GLU 21 - HG3 GLU 92 lone 0 94 - 0 - HB2 GLU 21 - HG2 GLU 89 lone 0 62 - 0 - HB2 GLU 111 - HG2 GLU 103 lone 0 43 - 1 - HG2 GLU 52 - HG3 GLU 92 lone 0 99 - 0 - HB2 GLU 87 - HG2 GLU 103 lone 0 41 - 1 - HG2 GLU 52 - HG3 GLU 111 lone 0 100 - 0 - HG3 GLN 83 - HG2 GLU 89 lone 0 58 - 0 - HB2 GLU 112 - HG2 GLU 103 lone 0 27 - 1 - HG2 GLU 52 - HG2 GLU 89 lone 0 96 - 0 - HB2 GLU 21 - HG2 GLU 69 lone 0 66 - 0 - HB2 GLU 119 - HG2 GLU 103 lone 0 22 - 1 - HB3 GLU 112 - HG2 GLU 103 lone 0 26 - 1 - HG3 GLN 83 - HG3 GLU 92 lone 0 62 - 0 - HB2 GLU 21 - HG3 GLU 92 lone 0 66 - 0 - HB2 GLU 21 - HG3 GLU 111 lone 0 70 - 0 - HG3 GLN 83 - HG2 GLU 69 lone 0 62 - 0 - HB3 GLU 69 - HG2 GLU 103 lone 0 35 - 0 - HG2 GLU 52 - HG2 GLU 103 lone 0 43 - 0 - HG3 GLU 21 - HG2 GLU 103 lone 0 41 - 0 - HG2 GLU 21 - HG2 GLU 103 lone 0 39 - 0 - HB3 GLU 47 - HG2 GLU 103 lone 0 34 - 0 - HB2 LEU 38 - HG2 GLU 103 lone 0 27 - 0 - HB VAL 107 - HG2 GLU 103 lone 0 24 - 0 - HB2 GLU 21 - HG2 GLU 103 lone 0 24 - 0 - HG3 GLN 83 - HG2 GLU 103 lone 0 22 - 0 - Peak 6618 from cnoeabs.peaks (2.02, 2.27, 36.01 ppm; 2.65 A): 3 out of 60 assignments used, quality = 0.94: * HB3 GLU 111 + HG3 GLU 111 OK 75 100 - 75 - 3.0=68, 3.0/6596=7...(6) HB3 GLU 89 + HG2 GLU 89 OK 50 62 - 81 - 3.0=68, 3.0/5749=9...(16) HB2 GLU 89 + HG2 GLU 89 OK 50 62 - 81 - 3.0=68, 3.0/5749=9...(16) HB3 GLU 89 - HG3 GLU 92 OK 19 66 - 29 - 3.0/5749=5, 1.8/5755=3...(12) HB2 GLU 89 - HG3 GLU 92 OK 19 66 - 29 - 3.0/5749=5, 1.8/5755=3...(12) HB2 GLU 66 - HG2 GLU 69 poor 9 66 - 13 - 1.8/5013=2, ~5024=2...(5) HB2 GLU 89 - HG3 GLU 111 lone 5 70 - 7 - 3.0/5749=2, 4.0/1588=1 HB3 GLU 89 - HG3 GLU 111 lone 5 70 - 7 - 3.0/5749=2, 4.0/1588=1 HB2 GLU 66 - HG3 GLU 92 lone 3 66 - 5 - HB3 GLU 111 - HG2 GLU 89 lone 3 96 - 3 - 7871/5.2=1 HB3 GLU 87 - HG3 GLU 111 lone 3 70 - 5 - HB2 GLU 66 - HG2 GLU 89 lone 3 62 - 5 - HB3 GLU 87 - HG2 GLU 89 lone 3 62 - 5 - HB3 GLU 111 - HG2 GLU 69 lone 2 99 - 2 - HG2 GLU 128 - HG3 GLU 92 lone 2 91 - 2 - HG3 GLU 128 - HG3 GLU 92 lone 2 91 - 2 - HB3 GLU 111 - HG3 GLU 92 lone 1 99 - 1 - HB2 GLU 66 - HG3 GLU 111 lone 1 70 - 2 - HB2 GLU 89 - HG2 GLU 69 lone 1 66 - 1 - HB3 GLU 89 - HG2 GLU 69 lone 1 66 - 1 - HB3 GLN 85 - HG2 GLU 89 lone 1 62 - 1 - HB3 GLU 87 - HG3 GLU 92 lone 1 66 - 1 - HB3 GLN 85 - HG3 GLU 111 lone 1 70 - 1 - HB3 GLU 87 - HG2 GLU 69 lone 0 66 - 1 - HB3 GLU 48 - HG3 GLU 92 lone 0 66 - 1 - HB2 GLU 48 - HG3 GLU 92 lone 0 66 - 1 - HG3 GLU 128 - HG2 GLU 89 lone 0 87 - 0 - HG2 GLU 128 - HG2 GLU 89 lone 0 87 - 0 - HB3 GLU 89 - HG2 GLU 103 lone 0 24 - 2 - HB2 GLU 89 - HG2 GLU 103 lone 0 24 - 2 - HB2 GLN 25 - HG2 GLU 89 lone 0 95 - 0 - HB2 GLN 25 - HG3 GLU 111 lone 0 100 - 0 - HG3 GLU 128 - HG3 GLU 111 lone 0 94 - 0 - HG2 GLU 128 - HG3 GLU 111 lone 0 94 - 0 - HB2 MET 1 - HG3 GLU 111 lone 0 97 - 0 - HB3 GLN 85 - HG3 GLU 92 lone 0 66 - 0 - HB2 GLU 48 - HG2 GLU 89 lone 0 62 - 0 - HB3 GLU 48 - HG2 GLU 89 lone 0 62 - 0 - HG3 GLU 128 - HG2 GLU 69 lone 0 91 - 0 - HG2 GLU 128 - HG2 GLU 69 lone 0 91 - 0 - HB2 GLN 25 - HG2 GLU 69 lone 0 98 - 0 - HB2 MET 1 - HG2 GLU 69 lone 0 94 - 0 - HB3 GLU 48 - HG3 GLU 111 lone 0 70 - 0 - HB2 GLU 48 - HG3 GLU 111 lone 0 70 - 0 - HB3 GLU 111 - HG2 GLU 103 lone 0 43 - 1 - HB2 MET 1 - HG2 GLU 89 lone 0 90 - 0 - HB2 MET 1 - HG3 GLU 92 lone 0 94 - 0 - HB2 GLN 25 - HG3 GLU 92 lone 0 98 - 0 - HB3 GLN 85 - HG2 GLU 69 lone 0 66 - 0 - HB3 GLU 48 - HG2 GLU 69 lone 0 66 - 0 - HB2 GLU 48 - HG2 GLU 69 lone 0 66 - 0 - HB2 GLU 66 - HG2 GLU 103 lone 0 24 - 1 - HB3 GLU 87 - HG2 GLU 103 lone 0 24 - 0 - HB2 GLN 25 - HG2 GLU 103 lone 0 42 - 0 - HG3 GLU 128 - HG2 GLU 103 lone 0 37 - 0 - HG2 GLU 128 - HG2 GLU 103 lone 0 37 - 0 - HB2 MET 1 - HG2 GLU 103 lone 0 39 - 0 - HB3 GLN 85 - HG2 GLU 103 lone 0 24 - 0 - HB3 GLU 48 - HG2 GLU 103 lone 0 24 - 0 - HB2 GLU 48 - HG2 GLU 103 lone 0 24 - 0 - Peak 6619 from cnoeabs.peaks (2.29, 2.27, 36.01 ppm; diagonal): 2 out of 2 assignments used, quality = 0.92: HG2 GLU 69 + HG2 GLU 69 OK 77 77 - 100 HG3 GLU 111 + HG3 GLU 111 OK 65 65 - 100 Reference assignment not found: HG2 GLU 111 - HG3 GLU 111 Peak 6620 from cnoeabs.peaks (2.27, 2.27, 36.01 ppm; diagonal): 4 out of 5 assignments used, quality = 1.00: * HG3 GLU 111 + HG3 GLU 111 OK 100 100 - 100 HG3 GLU 92 + HG3 GLU 92 OK 97 97 - 100 HG2 GLU 69 + HG2 GLU 69 OK 97 97 - 100 HG2 GLU 89 + HG2 GLU 89 OK 92 92 - 100 HG2 GLU 103 - HG2 GLU 103 OK 31 31 - 100 Peak 6621 from cnoeabs.peaks (8.23, 4.00, 58.75 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 112 + HA GLU 112 OK 100 100 - 100 - 3.0=100 Peak 6622 from cnoeabs.peaks (4.00, 4.00, 58.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLU 112 + HA GLU 112 OK 100 100 - 100 Peak 6623 from cnoeabs.peaks (2.08, 4.00, 58.75 ppm; 2.88 A): 2 out of 13 assignments used, quality = 1.00: * HB2 GLU 112 + HA GLU 112 OK 95 100 - 95 - 3.0=91, 3.0/6626=9...(18) HB3 GLU 112 + HA GLU 112 OK 95 100 - 95 - 3.0=91, 3.0/6626=9...(18) HB2 GLU 111 - HA GLU 112 OK 24 77 - 32 - 7870/3.0=9, ~706=7...(8) HB3 GLU 69 - HA GLU 112 lone 3 99 - 3 - HB3 GLU 66 - HA GLU 112 lone 3 94 - 3 - HB2 GLU 87 - HA GLU 112 lone 3 92 - 3 - HG2 GLU 119 - HA GLU 112 lone 3 96 - 3 - 10480/8249=1 HB3 MET 121 - HA GLU 112 lone 2 97 - 2 - HB2 GLU 103 - HA GLU 112 lone 1 100 - 1 - HB3 GLU 91 - HA GLU 112 lone 1 77 - 1 - HB3 PHE 79 - HA GLU 112 lone 0 94 - 0 - HG2 GLU 52 - HA GLU 112 lone 0 73 - 1 - HB2 LYS 94 - HA GLU 112 lone 0 81 - 0 - Peak 6624 from cnoeabs.peaks (2.08, 4.00, 58.75 ppm; 2.88 A): 2 out of 14 assignments used, quality = 1.00: * HB3 GLU 112 + HA GLU 112 OK 95 100 - 95 - 3.0=91, 3.0/6626=9...(18) HB2 GLU 112 + HA GLU 112 OK 95 100 - 95 - 3.0=91, 3.0/6626=9...(18) HB2 GLU 111 - HA GLU 112 OK 23 73 - 31 - 7870/3.0=9, ~706=7...(8) HB3 GLU 69 - HA GLU 112 lone 3 98 - 3 - HB3 GLU 66 - HA GLU 112 lone 3 92 - 3 - HG2 GLU 119 - HA GLU 112 lone 3 97 - 3 - 10480/8249=1 HB2 GLU 87 - HA GLU 112 lone 3 90 - 3 - HB3 MET 121 - HA GLU 112 lone 2 98 - 2 - HB2 GLU 103 - HA GLU 112 lone 1 99 - 1 - HB3 GLU 91 - HA GLU 112 lone 1 81 - 1 - HB3 PHE 79 - HA GLU 112 lone 0 96 - 0 - HB2 LYS 94 - HA GLU 112 lone 0 84 - 0 - HG2 GLU 52 - HA GLU 112 lone 0 70 - 1 - HB2 GLU 13 - HA GLU 112 lone 0 61 - 0 - Peak 6625 from cnoeabs.peaks (2.34, 4.00, 58.75 ppm; 3.51 A): 2 out of 7 assignments used, quality = 0.99: HG3 GLU 112 + HA GLU 112 OK 91 100 - 91 - 4.1=63, 1.8/6646=16...(20) * HG2 GLU 112 + HA GLU 112 OK 90 100 - 90 - 4.1=63, 1.8/6646=16...(19) HG2 GLN 83 - HA GLU 112 lone 4 100 - 4 - 1738/3.0=1 HB3 PHE 120 - HA GLU 112 lone 2 98 - 2 - HG3 GLU 103 - HA GLU 112 lone 2 81 - 2 - HG3 GLN 100 - HA GLU 112 lone 2 81 - 2 - 4.9/8244=1 HG3 GLU 48 - HA GLU 112 lone 1 65 - 1 - Peak 6626 from cnoeabs.peaks (2.34, 4.00, 58.75 ppm; 3.51 A): 2 out of 7 assignments used, quality = 0.99: * HG3 GLU 112 + HA GLU 112 OK 91 100 - 91 - 4.1=63, 1.8/6646=16...(20) HG2 GLU 112 + HA GLU 112 OK 90 100 - 90 - 4.1=63, 1.8/6646=16...(19) HG2 GLN 83 - HA GLU 112 lone 4 100 - 4 - 1738/3.0=1 HB3 PHE 120 - HA GLU 112 lone 2 99 - 2 - HG3 GLU 103 - HA GLU 112 lone 2 77 - 2 - HG3 GLN 100 - HA GLU 112 lone 2 84 - 2 - 4.9/8244=1 HG3 GLU 48 - HA GLU 112 lone 1 61 - 1 - Peak 6627 from cnoeabs.peaks (8.23, 2.08, 29.19 ppm; 3.61 A): 2 out of 12 assignments used, quality = 0.99: * H GLU 112 + HB2 GLU 112 OK 92 100 - 92 - 4.0=72, 1736/1.8=17...(17) H GLU 112 + HB3 GLU 112 OK 92 100 - 92 - 4.0=72, 1736/1.8=17...(17) H GLU 89 - HB3 GLU 66 poor 7 64 - 11 - 1586/1.8=1, 3.0/8114=1...(4) H ILE 15 - HB3 GLU 112 lone 5 99 - 5 - 709/4.6=2 H ILE 15 - HB2 GLU 112 lone 5 99 - 5 - 709/4.6=2 H GLU 112 - HB3 GLU 66 lone 4 84 - 5 - H GLU 112 - HB3 GLU 69 lone 3 96 - 4 - H GLU 89 - HB2 GLU 112 lone 3 84 - 4 - H GLU 89 - HB3 GLU 112 lone 3 84 - 3 - H GLU 89 - HB3 GLU 69 lone 2 77 - 3 - H ILE 15 - HB3 GLU 66 lone 1 82 - 1 - H ILE 15 - HB3 GLU 69 lone 1 95 - 1 - Peak 6628 from cnoeabs.peaks (4.00, 2.08, 29.19 ppm; 3.04 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 112 + HB2 GLU 112 OK 100 100 - 100 - 3.0=100 HA GLU 112 + HB3 GLU 112 OK 100 100 - 100 - 3.0=100 Peak 6629 from cnoeabs.peaks (2.08, 2.08, 29.19 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB2 GLU 112 + HB2 GLU 112 OK 100 100 - 100 HB3 GLU 112 + HB3 GLU 112 OK 100 100 - 100 HB3 GLU 69 + HB3 GLU 69 OK 94 94 - 100 HB3 GLU 66 + HB3 GLU 66 OK 75 75 - 100 Peak 6630 from cnoeabs.peaks (2.08, 2.08, 29.19 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB2 GLU 112 + HB2 GLU 112 OK 100 100 - 100 HB3 GLU 112 + HB3 GLU 112 OK 100 100 - 100 HB3 GLU 69 + HB3 GLU 69 OK 93 93 - 100 HB3 GLU 66 + HB3 GLU 66 OK 72 72 - 100 Reference assignment not found: HB3 GLU 112 - HB2 GLU 112 Peak 6631 from cnoeabs.peaks (2.34, 2.08, 29.19 ppm; 3.03 A): 4 out of 4 assignments used, quality = 1.00: * HG2 GLU 112 + HB2 GLU 112 OK 100 100 - 100 - 3.0=100 HG3 GLU 112 + HB2 GLU 112 OK 100 100 - 100 - 3.0=100 HG2 GLU 112 + HB3 GLU 112 OK 100 100 - 100 - 3.0=100 HG3 GLU 112 + HB3 GLU 112 OK 100 100 - 100 - 3.0=100 Peak 6632 from cnoeabs.peaks (2.34, 2.08, 29.19 ppm; 3.03 A): 4 out of 4 assignments used, quality = 1.00: * HG3 GLU 112 + HB2 GLU 112 OK 100 100 - 100 - 3.0=100 HG2 GLU 112 + HB2 GLU 112 OK 100 100 - 100 - 3.0=100 HG3 GLU 112 + HB3 GLU 112 OK 100 100 - 100 - 3.0=100 HG2 GLU 112 + HB3 GLU 112 OK 100 100 - 100 - 3.0=100 Peak 6633 from cnoeabs.peaks (8.23, 2.08, 29.19 ppm; 3.61 A): 2 out of 15 assignments used, quality = 0.99: * H GLU 112 + HB3 GLU 112 OK 92 100 - 92 - 4.0=72, 1736/1.8=17...(16) H GLU 112 + HB2 GLU 112 OK 92 100 - 92 - 4.0=72, 1736/1.8=17...(17) H GLU 89 - HB3 GLU 66 poor 7 61 - 11 - 1586/1.8=1, ~11069=1...(4) H ILE 15 - HB3 GLU 112 lone 5 99 - 5 - 709/4.6=2 H GLU 89 - HB3 GLU 91 poor 5 30 - 19 - 3.6/8174=10, 2138/4.0=7, ~8181=1 H ILE 15 - HB2 GLU 112 lone 5 99 - 5 - 709/4.6=2 H GLU 112 - HB3 GLU 66 lone 4 80 - 5 - H GLU 112 - HB3 GLU 69 lone 3 94 - 3 - H GLU 89 - HB2 GLU 112 lone 3 84 - 3 - H GLU 89 - HB3 GLU 112 lone 3 84 - 3 - H GLU 89 - HB3 GLU 69 lone 2 75 - 3 - H GLU 112 - HB3 GLU 91 lone 1 41 - 2 - H ILE 15 - HB3 GLU 66 lone 1 78 - 1 - H ILE 15 - HB3 GLU 69 lone 1 93 - 1 - H ILE 15 - HB3 GLU 91 lone 0 40 - 1 - Peak 6634 from cnoeabs.peaks (4.00, 2.08, 29.19 ppm; 3.04 A): 2 out of 2 assignments used, quality = 1.00: * HA GLU 112 + HB3 GLU 112 OK 100 100 - 100 - 3.0=100 HA GLU 112 + HB2 GLU 112 OK 100 100 - 100 - 3.0=100 Peak 6635 from cnoeabs.peaks (2.08, 2.08, 29.19 ppm; diagonal): 4 out of 5 assignments used, quality = 1.00: HB3 GLU 112 + HB3 GLU 112 OK 100 100 - 100 HB2 GLU 112 + HB2 GLU 112 OK 100 100 - 100 HB3 GLU 69 + HB3 GLU 69 OK 92 92 - 100 HB3 GLU 66 + HB3 GLU 66 OK 71 71 - 100 HB3 GLU 91 - HB3 GLU 91 OK 26 26 - 100 Reference assignment not found: HB2 GLU 112 - HB3 GLU 112 Peak 6636 from cnoeabs.peaks (2.08, 2.08, 29.19 ppm; diagonal): 4 out of 5 assignments used, quality = 1.00: * HB3 GLU 112 + HB3 GLU 112 OK 100 100 - 100 HB2 GLU 112 + HB2 GLU 112 OK 100 100 - 100 HB3 GLU 69 + HB3 GLU 69 OK 90 90 - 100 HB3 GLU 66 + HB3 GLU 66 OK 68 68 - 100 HB3 GLU 91 - HB3 GLU 91 OK 28 28 - 100 Peak 6637 from cnoeabs.peaks (2.34, 2.08, 29.19 ppm; 3.03 A): 4 out of 4 assignments used, quality = 1.00: * HG2 GLU 112 + HB3 GLU 112 OK 100 100 - 100 - 3.0=100 HG3 GLU 112 + HB3 GLU 112 OK 100 100 - 100 - 3.0=100 HG2 GLU 112 + HB2 GLU 112 OK 100 100 - 100 - 3.0=100 HG3 GLU 112 + HB2 GLU 112 OK 100 100 - 100 - 3.0=100 Peak 6638 from cnoeabs.peaks (2.34, 2.08, 29.19 ppm; 3.03 A): 4 out of 4 assignments used, quality = 1.00: * HG3 GLU 112 + HB3 GLU 112 OK 100 100 - 100 - 3.0=100 HG2 GLU 112 + HB3 GLU 112 OK 100 100 - 100 - 3.0=100 HG3 GLU 112 + HB2 GLU 112 OK 100 100 - 100 - 3.0=100 HG2 GLU 112 + HB2 GLU 112 OK 100 100 - 100 - 3.0=100 Peak 6639 from cnoeabs.peaks (8.23, 2.34, 36.01 ppm; 3.45 A): 2 out of 9 assignments used, quality = 0.95: * H GLU 112 + HG2 GLU 112 OK 78 100 - 78 - 4.9=35, 1738/1.8=15...(16) H GLU 112 + HG3 GLU 112 OK 78 100 - 78 - 4.9=35, 1738/1.8=15...(16) H ILE 15 - HG3 GLU 112 lone 4 99 - 4 - H ILE 15 - HG2 GLU 112 lone 4 99 - 4 - H GLU 89 - HG2 GLU 112 lone 2 84 - 2 - H GLU 89 - HG3 GLU 112 lone 2 84 - 2 - H GLU 112 - HG3 GLU 103 lone 1 39 - 2 - H GLU 89 - HG3 GLU 103 lone 1 28 - 2 - H ILE 15 - HG3 GLU 103 lone 0 38 - 0 - Peak 6640 from cnoeabs.peaks (4.00, 2.34, 36.01 ppm; 3.19 A): 2 out of 24 assignments used, quality = 0.97: HA GLU 112 + HG3 GLU 112 OK 83 100 - 83 - 4.1=47, 6625/1.8=14...(20) * HA GLU 112 + HG2 GLU 112 OK 82 100 - 82 - 4.1=47, 6626/1.8=14...(19) HA GLU 111 - HG3 GLU 112 OK 12 94 - 12 - 3.6/6645=9 HA GLU 111 - HG2 GLU 112 OK 11 94 - 12 - 3.6/6645=9 HA LEU 14 - HG2 GLU 112 lone 4 87 - 4 - 4.0/11008=2, 4.0/11465=1 HA LEU 14 - HG3 GLU 112 lone 4 87 - 4 - 4.0/11008=2, 4.0/11465=1 HA3 GLY 101 - HG3 GLU 112 lone 1 87 - 1 - HA3 GLY 101 - HG2 GLU 112 lone 1 87 - 1 - HB2 SER 99 - HG3 GLU 112 lone 1 100 - 1 - HB3 SER 99 - HG3 GLU 112 lone 1 100 - 1 - HB3 SER 99 - HG2 GLU 112 lone 1 100 - 1 - HB2 SER 99 - HG2 GLU 112 lone 1 100 - 1 - HA GLU 112 - HG3 GLU 103 lone 1 39 - 2 - HA LYS 17 - HG2 GLU 112 lone 1 99 - 1 - HA LYS 17 - HG3 GLU 112 lone 1 99 - 1 - HA GLU 111 - HG3 GLU 103 lone 0 33 - 1 - HA3 GLY 75 - HG2 GLU 112 lone 0 77 - 0 - HA3 GLY 75 - HG3 GLU 112 lone 0 77 - 0 - HA LEU 14 - HG3 GLU 103 lone 0 29 - 1 - HB2 SER 99 - HG3 GLU 103 lone 0 39 - 0 - HB3 SER 99 - HG3 GLU 103 lone 0 39 - 0 - HA LYS 17 - HG3 GLU 103 lone 0 37 - 0 - HA3 GLY 101 - HG3 GLU 103 lone 0 29 - 0 - HA3 GLY 75 - HG3 GLU 103 lone 0 25 - 0 - Peak 6641 from cnoeabs.peaks (2.08, 2.34, 36.01 ppm; 2.51 A): 4 out of 39 assignments used, quality = 0.99: * HB2 GLU 112 + HG2 GLU 112 OK 71 100 - 71 - 3.0=60, 3.0/6625=6...(10) HB3 GLU 112 + HG2 GLU 112 OK 71 100 - 71 - 3.0=60, 3.0/6625=6...(10) HB2 GLU 112 + HG3 GLU 112 OK 71 100 - 71 - 3.0=60, 3.0/6625=6...(10) HB3 GLU 112 + HG3 GLU 112 OK 71 100 - 71 - 3.0=60, 3.0/6625=6...(10) HB2 GLU 103 - HG3 GLU 103 OK 24 38 - 63 - 3.0=59, 1683/4.8=4, 4.7/662=4 HB2 GLU 111 - HG2 GLU 112 lone 5 77 - 7 - 7870/4.9=3, 6623/4.1=1 HB2 GLU 111 - HG3 GLU 112 lone 5 77 - 7 - 7870/4.9=3, 6623/4.1=1 HB3 PHE 79 - HG3 GLU 103 poor 4 33 - 12 - ~10206=3, ~10212=3...(4) HB3 GLU 66 - HG3 GLU 112 lone 2 94 - 2 - HB3 GLU 66 - HG2 GLU 112 lone 2 94 - 2 - HB3 GLU 69 - HG2 GLU 112 lone 1 99 - 1 - HB3 GLU 69 - HG3 GLU 112 lone 1 99 - 1 - HG2 GLU 119 - HG2 GLU 112 lone 1 96 - 1 - HG2 GLU 119 - HG3 GLU 112 lone 1 95 - 1 - HB3 MET 121 - HG3 GLU 112 lone 1 97 - 1 - HB3 MET 121 - HG2 GLU 112 lone 1 97 - 1 - HB2 GLU 87 - HG2 GLU 112 lone 1 92 - 1 - HB2 GLU 87 - HG3 GLU 112 lone 1 92 - 1 - HB3 PHE 79 - HG2 GLU 112 lone 0 94 - 0 - HB3 PHE 79 - HG3 GLU 112 lone 0 94 - 0 - HB2 GLU 103 - HG2 GLU 112 lone 0 100 - 0 - HB2 GLU 103 - HG3 GLU 112 lone 0 100 - 0 - HB2 GLU 112 - HG3 GLU 103 lone 0 39 - 1 - HB3 GLU 112 - HG3 GLU 103 lone 0 39 - 1 - HB2 LYS 94 - HG2 GLU 112 lone 0 81 - 0 - HB2 LYS 94 - HG3 GLU 112 lone 0 80 - 0 - HB3 GLU 91 - HG2 GLU 112 lone 0 77 - 0 - HB3 GLU 91 - HG3 GLU 112 lone 0 77 - 0 - HB3 GLU 66 - HG3 GLU 103 lone 0 33 - 1 - HG2 GLU 52 - HG2 GLU 112 lone 0 73 - 0 - HG2 GLU 52 - HG3 GLU 112 lone 0 73 - 0 - HB2 GLU 87 - HG3 GLU 103 lone 0 32 - 1 - HG2 GLU 119 - HG3 GLU 103 lone 0 34 - 0 - HB3 GLU 69 - HG3 GLU 103 lone 0 37 - 0 - HB3 MET 121 - HG3 GLU 103 lone 0 35 - 0 - HB3 GLU 91 - HG3 GLU 103 lone 0 25 - 0 - HB2 LYS 94 - HG3 GLU 103 lone 0 26 - 0 - HB2 GLU 111 - HG3 GLU 103 lone 0 25 - 0 - HG2 GLU 52 - HG3 GLU 103 lone 0 23 - 0 - Peak 6642 from cnoeabs.peaks (2.08, 2.34, 36.01 ppm; 2.51 A): 4 out of 42 assignments used, quality = 0.99: HB2 GLU 112 + HG2 GLU 112 OK 71 100 - 71 - 3.0=60, 3.0/6625=6...(10) * HB3 GLU 112 + HG2 GLU 112 OK 71 100 - 71 - 3.0=60, 3.0/6625=6...(10) HB3 GLU 112 + HG3 GLU 112 OK 71 100 - 71 - 3.0=60, 3.0/6625=6...(10) HB2 GLU 112 + HG3 GLU 112 OK 71 100 - 71 - 3.0=60, 3.0/6625=6...(10) HB2 GLU 103 - HG3 GLU 103 OK 24 38 - 63 - 3.0=59, 1683/4.8=4, 4.7/662=4 HB2 GLU 111 - HG2 GLU 112 lone 5 73 - 7 - 4.6/6645=3, 6623/4.1=1 HB2 GLU 111 - HG3 GLU 112 lone 5 73 - 7 - 4.6/6645=3, 6623/4.1=1 HB3 PHE 79 - HG3 GLU 103 poor 4 34 - 12 - ~10206=3, ~10212=3...(4) HB3 GLU 66 - HG3 GLU 112 lone 2 92 - 2 - HB3 GLU 66 - HG2 GLU 112 lone 2 92 - 2 - HG2 GLU 119 - HG2 GLU 112 lone 1 97 - 1 - HG2 GLU 119 - HG3 GLU 112 lone 1 97 - 1 - HB3 GLU 69 - HG2 GLU 112 lone 1 98 - 1 - HB3 GLU 69 - HG3 GLU 112 lone 1 98 - 1 - HB3 MET 121 - HG3 GLU 112 lone 1 98 - 1 - HB3 MET 121 - HG2 GLU 112 lone 1 98 - 1 - HB2 GLU 87 - HG2 GLU 112 lone 1 90 - 1 - HB2 GLU 87 - HG3 GLU 112 lone 1 89 - 1 - HB3 PHE 79 - HG2 GLU 112 lone 0 96 - 0 - HB3 PHE 79 - HG3 GLU 112 lone 0 95 - 0 - HB2 GLU 103 - HG2 GLU 112 lone 0 99 - 0 - HB2 GLU 103 - HG3 GLU 112 lone 0 99 - 0 - HB2 GLU 112 - HG3 GLU 103 lone 0 39 - 1 - HB3 GLU 112 - HG3 GLU 103 lone 0 39 - 1 - HB2 LYS 94 - HG2 GLU 112 lone 0 84 - 0 - HB2 LYS 94 - HG3 GLU 112 lone 0 84 - 0 - HB3 GLU 91 - HG2 GLU 112 lone 0 81 - 0 - HB3 GLU 91 - HG3 GLU 112 lone 0 80 - 0 - HB3 GLU 66 - HG3 GLU 103 lone 0 32 - 1 - HG2 GLU 119 - HG3 GLU 103 lone 0 35 - 0 - HG2 GLU 52 - HG2 GLU 112 lone 0 70 - 0 - HG2 GLU 52 - HG3 GLU 112 lone 0 69 - 0 - HB2 GLU 13 - HG2 GLU 112 lone 0 61 - 0 - HB2 GLU 13 - HG3 GLU 112 lone 0 61 - 0 - HB2 GLU 87 - HG3 GLU 103 lone 0 31 - 0 - HB3 MET 121 - HG3 GLU 103 lone 0 36 - 0 - HB3 GLU 69 - HG3 GLU 103 lone 0 36 - 0 - HB3 GLU 91 - HG3 GLU 103 lone 0 26 - 0 - HB2 LYS 94 - HG3 GLU 103 lone 0 28 - 0 - HB2 GLU 111 - HG3 GLU 103 lone 0 23 - 0 - HG2 GLU 52 - HG3 GLU 103 lone 0 22 - 0 - HB2 GLU 13 - HG3 GLU 103 lone 0 19 - 0 - Peak 6643 from cnoeabs.peaks (2.34, 2.34, 36.01 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: * HG2 GLU 112 + HG2 GLU 112 OK 100 100 - 100 HG3 GLU 112 + HG3 GLU 112 OK 100 100 - 100 HG3 GLU 103 - HG3 GLU 103 OK 26 26 - 100 Peak 6644 from cnoeabs.peaks (2.34, 2.34, 36.01 ppm; diagonal): 2 out of 3 assignments used, quality = 1.00: HG2 GLU 112 + HG2 GLU 112 OK 100 100 - 100 HG3 GLU 112 + HG3 GLU 112 OK 100 100 - 100 HG3 GLU 103 - HG3 GLU 103 OK 25 25 - 100 Reference assignment not found: HG3 GLU 112 - HG2 GLU 112 Peak 6645 from cnoeabs.peaks (8.23, 2.34, 36.01 ppm; 3.45 A): 2 out of 6 assignments used, quality = 0.95: * H GLU 112 + HG3 GLU 112 OK 78 100 - 78 - 4.9=35, 1738/1.8=15...(16) H GLU 112 + HG2 GLU 112 OK 78 100 - 78 - 4.9=35, 1738/1.8=15...(16) H ILE 15 - HG2 GLU 112 lone 4 99 - 4 - H ILE 15 - HG3 GLU 112 lone 4 99 - 4 - H GLU 89 - HG3 GLU 112 lone 2 84 - 2 - H GLU 89 - HG2 GLU 112 lone 2 84 - 2 - Peak 6646 from cnoeabs.peaks (4.00, 2.34, 36.01 ppm; 3.19 A): 2 out of 16 assignments used, quality = 0.97: * HA GLU 112 + HG3 GLU 112 OK 83 100 - 83 - 4.1=47, 6625/1.8=14...(20) HA GLU 112 + HG2 GLU 112 OK 82 100 - 82 - 4.1=47, 6626/1.8=14...(19) HA GLU 111 - HG3 GLU 112 OK 12 94 - 12 - 3.6/6645=9 HA GLU 111 - HG2 GLU 112 OK 11 94 - 12 - 3.6/6645=9 HA LEU 14 - HG3 GLU 112 lone 4 87 - 4 - 4.0/11008=2, 4.0/11465=1 HA LEU 14 - HG2 GLU 112 lone 4 87 - 4 - 4.0/11008=2, 4.0/11465=1 HA3 GLY 101 - HG3 GLU 112 lone 1 87 - 1 - HA3 GLY 101 - HG2 GLU 112 lone 1 87 - 1 - HB3 SER 99 - HG3 GLU 112 lone 1 100 - 1 - HB2 SER 99 - HG3 GLU 112 lone 1 100 - 1 - HB2 SER 99 - HG2 GLU 112 lone 1 100 - 1 - HB3 SER 99 - HG2 GLU 112 lone 1 100 - 1 - HA LYS 17 - HG3 GLU 112 lone 1 99 - 1 - HA LYS 17 - HG2 GLU 112 lone 1 99 - 1 - HA3 GLY 75 - HG3 GLU 112 lone 0 77 - 0 - HA3 GLY 75 - HG2 GLU 112 lone 0 77 - 0 - Peak 6647 from cnoeabs.peaks (2.08, 2.34, 36.01 ppm; 2.51 A): 4 out of 26 assignments used, quality = 0.99: * HB2 GLU 112 + HG3 GLU 112 OK 71 100 - 71 - 3.0=60, 3.0/6626=6...(10) HB2 GLU 112 + HG2 GLU 112 OK 71 100 - 71 - 3.0=60, 3.0/6626=6...(10) HB3 GLU 112 + HG3 GLU 112 OK 71 100 - 71 - 3.0=60, 3.0/6626=6...(10) HB3 GLU 112 + HG2 GLU 112 OK 71 100 - 71 - 3.0=60, 3.0/6626=6...(10) HB2 GLU 111 - HG3 GLU 112 lone 5 77 - 7 - 7870/4.9=3, 6623/4.1=1 HB2 GLU 111 - HG2 GLU 112 lone 5 77 - 7 - 7870/4.9=3, 6623/4.1=1 HB3 GLU 66 - HG3 GLU 112 lone 2 94 - 2 - HB3 GLU 66 - HG2 GLU 112 lone 2 94 - 2 - HB3 GLU 69 - HG3 GLU 112 lone 1 99 - 1 - HB3 GLU 69 - HG2 GLU 112 lone 1 99 - 1 - HG2 GLU 119 - HG3 GLU 112 lone 1 96 - 1 - HG2 GLU 119 - HG2 GLU 112 lone 1 95 - 1 - HB3 MET 121 - HG3 GLU 112 lone 1 97 - 1 - HB3 MET 121 - HG2 GLU 112 lone 1 97 - 1 - HB2 GLU 87 - HG3 GLU 112 lone 1 92 - 1 - HB2 GLU 87 - HG2 GLU 112 lone 1 92 - 1 - HB3 PHE 79 - HG3 GLU 112 lone 0 94 - 0 - HB3 PHE 79 - HG2 GLU 112 lone 0 94 - 0 - HB2 GLU 103 - HG3 GLU 112 lone 0 100 - 0 - HB2 GLU 103 - HG2 GLU 112 lone 0 100 - 0 - HB2 LYS 94 - HG3 GLU 112 lone 0 81 - 0 - HB2 LYS 94 - HG2 GLU 112 lone 0 80 - 0 - HB3 GLU 91 - HG3 GLU 112 lone 0 77 - 0 - HB3 GLU 91 - HG2 GLU 112 lone 0 77 - 0 - HG2 GLU 52 - HG3 GLU 112 lone 0 73 - 0 - HG2 GLU 52 - HG2 GLU 112 lone 0 73 - 0 - Peak 6648 from cnoeabs.peaks (2.08, 2.34, 36.01 ppm; 2.51 A): 4 out of 28 assignments used, quality = 0.99: HB2 GLU 112 + HG3 GLU 112 OK 71 100 - 71 - 3.0=60, 3.0/6626=6...(10) HB3 GLU 112 + HG2 GLU 112 OK 71 100 - 71 - 3.0=60, 3.0/6626=6...(10) HB2 GLU 112 + HG2 GLU 112 OK 71 100 - 71 - 3.0=60, 3.0/6626=6...(10) * HB3 GLU 112 + HG3 GLU 112 OK 71 100 - 71 - 3.0=60, 3.0/6626=6...(10) HB2 GLU 111 - HG3 GLU 112 lone 5 73 - 7 - 4.6/6645=3, 6623/4.1=1 HB2 GLU 111 - HG2 GLU 112 lone 5 73 - 7 - 4.6/6645=3, 6623/4.1=1 HB3 GLU 66 - HG3 GLU 112 lone 2 92 - 2 - HB3 GLU 66 - HG2 GLU 112 lone 2 92 - 2 - HG2 GLU 119 - HG3 GLU 112 lone 1 97 - 1 - HG2 GLU 119 - HG2 GLU 112 lone 1 97 - 1 - HB3 GLU 69 - HG3 GLU 112 lone 1 98 - 1 - HB3 GLU 69 - HG2 GLU 112 lone 1 98 - 1 - HB3 MET 121 - HG3 GLU 112 lone 1 98 - 1 - HB3 MET 121 - HG2 GLU 112 lone 1 98 - 1 - HB2 GLU 87 - HG3 GLU 112 lone 1 90 - 1 - HB2 GLU 87 - HG2 GLU 112 lone 1 89 - 1 - HB3 PHE 79 - HG3 GLU 112 lone 0 96 - 0 - HB3 PHE 79 - HG2 GLU 112 lone 0 95 - 0 - HB2 GLU 103 - HG3 GLU 112 lone 0 99 - 0 - HB2 GLU 103 - HG2 GLU 112 lone 0 99 - 0 - HB2 LYS 94 - HG3 GLU 112 lone 0 84 - 0 - HB2 LYS 94 - HG2 GLU 112 lone 0 84 - 0 - HB3 GLU 91 - HG3 GLU 112 lone 0 81 - 0 - HB3 GLU 91 - HG2 GLU 112 lone 0 80 - 0 - HG2 GLU 52 - HG3 GLU 112 lone 0 70 - 0 - HG2 GLU 52 - HG2 GLU 112 lone 0 69 - 0 - HB2 GLU 13 - HG3 GLU 112 lone 0 61 - 0 - HB2 GLU 13 - HG2 GLU 112 lone 0 61 - 0 - Peak 6649 from cnoeabs.peaks (2.34, 2.34, 36.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 GLU 112 + HG3 GLU 112 OK 100 100 - 100 HG2 GLU 112 + HG2 GLU 112 OK 100 100 - 100 Reference assignment not found: HG2 GLU 112 - HG3 GLU 112 Peak 6650 from cnoeabs.peaks (2.34, 2.34, 36.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 112 + HG3 GLU 112 OK 100 100 - 100 HG2 GLU 112 + HG2 GLU 112 OK 100 100 - 100 Peak 6651 from cnoeabs.peaks (8.12, 3.80, 55.38 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 113 + HA ALA 113 OK 100 100 - 100 - 3.0=100 Peak 6652 from cnoeabs.peaks (3.80, 3.80, 55.38 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 113 + HA ALA 113 OK 100 100 - 100 Peak 6653 from cnoeabs.peaks (1.41, 3.80, 55.38 ppm; 3.35 A): 1 out of 1 assignment used, quality = 1.00: * QB ALA 113 + HA ALA 113 OK 100 100 - 100 - 2.1=100 Peak 6654 from cnoeabs.peaks (8.12, 1.41, 18.60 ppm; 3.11 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 113 + QB ALA 113 OK 100 100 - 100 - 2.9=100 Peak 6655 from cnoeabs.peaks (3.80, 1.41, 18.60 ppm; 3.13 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 113 + QB ALA 113 OK 100 100 - 100 - 2.1=100 Peak 6656 from cnoeabs.peaks (1.41, 1.41, 18.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 113 + QB ALA 113 OK 100 100 - 100 Peak 6657 from cnoeabs.peaks (7.74, 3.71, 57.67 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 114 + HA LEU 114 OK 100 100 - 100 - 3.0=100 Peak 6658 from cnoeabs.peaks (3.71, 3.71, 57.67 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 114 + HA LEU 114 OK 100 100 - 100 Peak 6659 from cnoeabs.peaks (1.74, 3.71, 57.67 ppm; 4.17 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 114 + HA LEU 114 OK 100 100 - 100 - 3.0=100 Peak 6660 from cnoeabs.peaks (1.40, 3.71, 57.67 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 114 + HA LEU 114 OK 100 100 - 100 - 3.0=100 Peak 6661 from cnoeabs.peaks (1.65, 3.71, 57.67 ppm; 4.29 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 114 + HA LEU 114 OK 100 100 - 100 - 3.7=100 Peak 6662 from cnoeabs.peaks (0.81, 3.71, 57.67 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 114 + HA LEU 114 OK 100 100 - 100 - 3.9=100 Peak 6663 from cnoeabs.peaks (0.67, 3.71, 57.67 ppm; 3.50 A): 2 out of 7 assignments used, quality = 0.93: * QD2 LEU 114 + HA LEU 114 OK 92 100 - 92 - 3.9=70, 2.1/6686=19...(16) QD1 ILE 116 + HA LEU 114 OK 15 92 - 17 - 1748/3.0=7, 724/3.6=4...(6) QG2 ILE 97 - HA LEU 114 lone 4 87 - 4 - 724/3.6=2, 1748/3.0=1 QD1 ILE 56 - HA LEU 114 lone 2 94 - 2 - QD1 LEU 55 - HA LEU 114 lone 2 81 - 2 - QD1 ILE 71 - HA LEU 114 lone 2 73 - 2 - QD2 LEU 4 - HA LEU 114 lone 1 96 - 1 - Peak 6664 from cnoeabs.peaks (7.74, 1.74, 40.94 ppm; 3.67 A): 1 out of 4 assignments used, quality = 0.97: * H LEU 114 + HB2 LEU 114 OK 97 100 - 97 - 3.9=85, 6671/1.8=30...(11) H GLU 48 - HB2 LEU 114 OK 13 99 - 13 - 6671/1.8=4, 6692/3.1=3...(5) H LEU 114 - HB2 LEU 68 lone 5 71 - 7 - 1744=2, 4.6/720=2 H GLU 48 - HB2 LEU 68 lone 0 69 - 1 - Peak 6665 from cnoeabs.peaks (3.71, 1.74, 40.94 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 114 + HB2 LEU 114 OK 100 100 - 100 - 3.0=100 Peak 6666 from cnoeabs.peaks (1.74, 1.74, 40.94 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 114 + HB2 LEU 114 OK 100 100 - 100 HB2 LEU 68 + HB2 LEU 68 OK 56 56 - 100 Peak 6667 from cnoeabs.peaks (1.40, 1.74, 40.94 ppm; 2.84 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LEU 114 + HB2 LEU 114 OK 100 100 - 100 - 1.8=100 HB3 LEU 68 + HB2 LEU 68 OK 45 45 - 100 - 1.8=100 Peak 6668 from cnoeabs.peaks (1.65, 1.74, 40.94 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 114 + HB2 LEU 114 OK 100 100 - 100 - 3.0=100 Peak 6669 from cnoeabs.peaks (0.81, 1.74, 40.94 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 114 + HB2 LEU 114 OK 100 100 - 100 - 3.1=100 Peak 6670 from cnoeabs.peaks (0.67, 1.74, 40.94 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 114 + HB2 LEU 114 OK 100 100 - 100 - 3.1=100 Peak 6671 from cnoeabs.peaks (7.74, 1.40, 40.94 ppm; 3.85 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 114 + HB3 LEU 114 OK 100 100 - 100 - 3.9=98, 6664/1.8=33...(11) H GLU 48 - HB3 LEU 114 OK 14 99 - 14 - 6664/1.8=4, 6692/3.1=4...(4) Peak 6672 from cnoeabs.peaks (3.71, 1.40, 40.94 ppm; 3.75 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 114 + HB3 LEU 114 OK 100 100 - 100 - 3.0=100 Peak 6673 from cnoeabs.peaks (1.74, 1.40, 40.94 ppm; 2.74 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 114 + HB3 LEU 114 OK 100 100 - 100 - 1.8=100 Peak 6674 from cnoeabs.peaks (1.40, 1.40, 40.94 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 114 + HB3 LEU 114 OK 100 100 - 100 Peak 6675 from cnoeabs.peaks (1.65, 1.40, 40.94 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 114 + HB3 LEU 114 OK 100 100 - 100 - 3.0=100 Peak 6676 from cnoeabs.peaks (0.81, 1.40, 40.94 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 114 + HB3 LEU 114 OK 100 100 - 100 - 3.1=100 Peak 6677 from cnoeabs.peaks (0.67, 1.40, 40.94 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 114 + HB3 LEU 114 OK 100 100 - 100 - 3.1=100 Peak 6678 from cnoeabs.peaks (7.74, 1.65, 26.77 ppm; 3.78 A): 3 out of 6 assignments used, quality = 0.92: * H LEU 114 + HG LEU 114 OK 89 100 - 89 - 5.2=38, 6692/2.1=26...(12) H LEU 114 + HG LEU 64 OK 21 87 - 24 - 1746=6, 1747/2.1=6...(8) H GLU 48 + HG LEU 114 OK 12 99 - 12 - 6692/2.1=4, 6671/3.0=3 H LEU 114 - HG LEU 90 lone 3 73 - 4 - H GLU 48 - HG LEU 64 lone 1 84 - 1 - H GLU 48 - HG LEU 90 lone 0 70 - 1 - Peak 6679 from cnoeabs.peaks (3.71, 1.65, 26.77 ppm; 4.09 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 114 + HG LEU 114 OK 100 100 - 100 - 3.7=100 Peak 6680 from cnoeabs.peaks (1.74, 1.65, 26.77 ppm; 3.20 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 114 + HG LEU 114 OK 100 100 - 100 - 3.0=100 HB3 LEU 90 + HG LEU 90 OK 55 55 - 100 - 3.0=100 Peak 6681 from cnoeabs.peaks (1.40, 1.65, 26.77 ppm; 3.54 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 114 + HG LEU 114 OK 100 100 - 100 - 3.0=100 Peak 6682 from cnoeabs.peaks (1.65, 1.65, 26.77 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG LEU 114 + HG LEU 114 OK 100 100 - 100 HG LEU 64 + HG LEU 64 OK 77 77 - 100 HG LEU 90 + HG LEU 90 OK 57 57 - 100 Peak 6683 from cnoeabs.peaks (0.81, 1.65, 26.77 ppm; 2.97 A): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 114 + HG LEU 114 OK 100 100 - 100 - 2.1=100 QD1 LEU 64 + HG LEU 64 OK 77 77 - 100 - 2.1=100 Peak 6684 from cnoeabs.peaks (0.67, 1.65, 26.77 ppm; 3.41 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 114 + HG LEU 114 OK 100 100 - 100 - 2.1=100 Peak 6685 from cnoeabs.peaks (7.74, 0.81, 24.73 ppm; 5.26 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 114 + QD1 LEU 114 OK 100 100 - 100 - 4.5=100 Peak 6686 from cnoeabs.peaks (3.71, 0.81, 24.73 ppm; 3.59 A): 1 out of 6 assignments used, quality = 0.96: * HA LEU 114 + QD1 LEU 114 OK 96 100 - 96 - 3.9=75, 6693/2.1=36...(16) HA LYS 61 - QD1 LEU 64 OK 32 56 - 57 - 8097/3.1=16, 9652/2.1=13...(8) HA LEU 114 - QD1 LEU 64 OK 17 65 - 27 - 8098/3.1=5, 3.0/1747=4...(10) HA LYS 61 - QD1 LEU 114 OK 11 94 - 12 - 9652=4, 6693/2.1=3...(4) HA2 GLY 101 - QD1 LEU 64 lone 4 56 - 7 - 8098/3.1=2, 8100/3.1=2 HA2 GLY 101 - QD1 LEU 114 lone 2 94 - 2 - Peak 6687 from cnoeabs.peaks (1.74, 0.81, 24.73 ppm; 3.03 A): 1 out of 26 assignments used, quality = 0.95: * HB2 LEU 114 + QD1 LEU 114 OK 95 100 - 95 - 3.1=90, 1.8/6688=19...(9) HG2 LYS 17 - QD1 LEU 114 OK 21 57 - 36 - 3.0/11515=8, ~10918=6...(10) HB2 LEU 68 - QD1 LEU 64 OK 20 50 - 40 - 3.1/11269=6, ~11270=6...(14) HB2 LEU 114 - QD1 LEU 64 poor 9 65 - 14 - 3.9/1747=2, 3.0/6686=2...(7) HG3 ARG 105 - QD1 LEU 114 lone 7 70 - 10 - 1.8/11019=3, ~10277=1, ~10275=1 HG2 ARG 118 - QD1 LEU 114 lone 4 98 - 4 - 720/4.9=2 HB2 LEU 68 - QD1 LEU 114 lone 4 87 - 4 - 720/4.9=1 HG2 ARG 118 - QD1 LEU 64 lone 3 61 - 4 - 6875/4.7=3 HB3 LYS 94 - QD1 LEU 64 lone 3 65 - 4 - 10980/2.1=1 HG12 ILE 15 - QD1 LEU 114 lone 2 94 - 3 - HB3 LYS 94 - QD1 LEU 114 lone 2 100 - 2 - HD3 LYS 123 - QD1 LEU 114 lone 2 84 - 2 - HB3 LEU 82 - QD1 LEU 64 lone 2 65 - 3 - HB3 LEU 82 - QD1 LEU 114 lone 2 100 - 2 - HG3 ARG 105 - QD1 LEU 64 lone 1 38 - 3 - 1.8/11019=1 HB3 LEU 90 - QD1 LEU 114 lone 1 84 - 1 - HB2 LYS 106 - QD1 LEU 114 lone 1 61 - 2 - HD3 LYS 123 - QD1 LEU 64 lone 1 48 - 2 - HB3 LEU 90 - QD1 LEU 64 lone 1 48 - 2 - HG2 LYS 17 - QD1 LEU 64 lone 1 30 - 2 - HB2 LEU 80 - QD1 LEU 114 lone 0 65 - 1 - HB3 LYS 49 - QD1 LEU 114 lone 0 57 - 1 - HG12 ILE 15 - QD1 LEU 64 lone 0 56 - 1 - HB2 LYS 106 - QD1 LEU 64 lone 0 33 - 1 - HB2 LEU 80 - QD1 LEU 64 lone 0 35 - 0 - HB3 LYS 49 - QD1 LEU 64 lone 0 30 - 0 - Peak 6688 from cnoeabs.peaks (1.40, 0.81, 24.73 ppm; 3.01 A): 1 out of 14 assignments used, quality = 0.94: * HB3 LEU 114 + QD1 LEU 114 OK 94 100 - 94 - 3.1=88, 1.8/6687=18...(10) QB ALA 113 - QD1 LEU 114 OK 32 84 - 38 - 3.7/1747=10, 10420/2.1=9...(11) HB3 LEU 68 - QD1 LEU 64 OK 16 40 - 39 - 3.1/11269=6, ~11270=6...(15) HB3 LEU 114 - QD1 LEU 64 poor 9 65 - 13 - 3.9/1747=2, 3.0/6686=2...(7) QB ALA 113 - QD1 LEU 64 poor 6 48 - 12 - 3.7/1747=2, 11513/2.1=2...(4) HG LEU 14 - QD1 LEU 114 lone 3 61 - 5 - ~11519=3 HB3 LEU 68 - QD1 LEU 114 lone 3 73 - 4 - HG3 LYS 16 - QD1 LEU 114 lone 2 100 - 2 - HG3 LYS 106 - QD1 LEU 114 lone 2 99 - 2 - HG3 LYS 16 - QD1 LEU 64 lone 0 65 - 1 - HG3 LYS 106 - QD1 LEU 64 lone 0 62 - 1 - HG2 LYS 40 - QD1 LEU 114 lone 0 65 - 1 - HG LEU 14 - QD1 LEU 64 lone 0 33 - 1 - HG2 LYS 40 - QD1 LEU 64 lone 0 35 - 0 - Peak 6689 from cnoeabs.peaks (1.65, 0.81, 24.73 ppm; 2.72 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 114 + QD1 LEU 114 OK 100 100 - 100 - 2.1=100 HG LEU 64 + QD1 LEU 64 OK 56 56 - 100 - 2.1=100 Peak 6690 from cnoeabs.peaks (0.81, 0.81, 24.73 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QD1 LEU 114 + QD1 LEU 114 OK 100 100 - 100 QD1 LEU 64 + QD1 LEU 64 OK 56 56 - 100 Peak 6691 from cnoeabs.peaks (0.67, 0.81, 24.73 ppm; 2.63 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 114 + QD1 LEU 114 OK 100 100 - 100 - 2.1=100 Peak 6692 from cnoeabs.peaks (7.74, 0.67, 23.24 ppm; 4.14 A): 1 out of 2 assignments used, quality = 0.98: * H LEU 114 + QD2 LEU 114 OK 98 100 - 98 - 4.5=76, 3.0/6693=36...(14) H GLU 48 - QD2 LEU 114 OK 15 99 - 15 - 6671/3.1=4, 6678/2.1=4...(5) Peak 6693 from cnoeabs.peaks (3.71, 0.67, 23.24 ppm; 3.16 A): 1 out of 3 assignments used, quality = 0.83: * HA LEU 114 + QD2 LEU 114 OK 83 100 - 83 - 3.9=51, 6686/2.1=16...(16) HA LYS 61 - QD2 LEU 114 lone 6 94 - 7 - 9652/2.1=2, 3.0/11514=1 HA2 GLY 101 - QD2 LEU 114 lone 1 94 - 1 - Peak 6694 from cnoeabs.peaks (1.74, 0.67, 23.24 ppm; 3.32 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 114 + QD2 LEU 114 OK 100 100 - 100 - 3.1=100 Peak 6695 from cnoeabs.peaks (1.40, 0.67, 23.24 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 114 + QD2 LEU 114 OK 100 100 - 100 - 3.1=100 Peak 6696 from cnoeabs.peaks (1.65, 0.67, 23.24 ppm; 3.07 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 114 + QD2 LEU 114 OK 100 100 - 100 - 2.1=100 Peak 6697 from cnoeabs.peaks (0.81, 0.67, 23.24 ppm; 2.69 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 114 + QD2 LEU 114 OK 100 100 - 100 - 2.1=100 Peak 6698 from cnoeabs.peaks (0.67, 0.67, 23.24 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 114 + QD2 LEU 114 OK 100 100 - 100 Peak 6699 from cnoeabs.peaks (7.62, 3.80, 59.88 ppm; 3.47 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 115 + HA LYS 115 OK 100 100 - 100 - 3.0=100 Peak 6700 from cnoeabs.peaks (3.80, 3.80, 59.88 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LYS 115 + HA LYS 115 OK 100 100 - 100 Peak 6701 from cnoeabs.peaks (1.93, 3.80, 59.88 ppm; 2.93 A): 2 out of 16 assignments used, quality = 1.00: * HB2 LYS 115 + HA LYS 115 OK 96 100 - 96 - 3.0=93, 3.0/6703=11...(16) HB3 LYS 115 + HA LYS 115 OK 95 98 - 96 - 3.0=93, 3.0/6703=11...(16) HB3 LYS 65 - HA LYS 115 OK 33 99 - 33 - 2.9/6703=5, 4.0/8261=5...(13) HB2 LYS 65 - HA LYS 115 OK 32 98 - 33 - 2.9/6703=5, 4.0/8261=5...(13) HB2 LEU 81 - HA LYS 115 OK 10 94 - 11 - 3.1/9956=3, 3.1/11606=3 HB2 LYS 123 - HA LYS 115 lone 4 98 - 4 - HB3 LYS 17 - HA LYS 115 lone 3 98 - 3 - HB3 LYS 123 - HA LYS 115 lone 3 81 - 4 - HB VAL 104 - HA LYS 115 lone 3 65 - 4 - 10225/3.9=2 HB ILE 15 - HA LYS 115 lone 2 84 - 3 - HB2 LEU 70 - HA LYS 115 lone 1 81 - 2 - HB2 LYS 39 - HA LYS 115 lone 1 98 - 1 - HG2 MET 121 - HA LYS 115 lone 1 90 - 1 - HB3 LYS 40 - HA LYS 115 lone 1 70 - 1 - HB2 LEU 127 - HA LYS 115 lone 0 99 - 0 - HB2 LYS 44 - HA LYS 115 lone 0 70 - 0 - Peak 6702 from cnoeabs.peaks (1.93, 3.80, 59.88 ppm; 2.93 A): 2 out of 20 assignments used, quality = 1.00: * HB3 LYS 115 + HA LYS 115 OK 96 100 - 96 - 3.0=93, 3.0/6703=11...(16) HB2 LYS 115 + HA LYS 115 OK 95 98 - 96 - 3.0=93, 3.0/6703=11...(16) HB2 LYS 65 - HA LYS 115 OK 33 100 - 33 - 2.9/6703=5, 4.0/8261=5...(13) HB3 LYS 65 - HA LYS 115 OK 33 100 - 33 - 2.9/6703=5, 4.0/8261=5...(13) HB2 LEU 81 - HA LYS 115 poor 8 77 - 11 - 3.1/9956=3, 3.1/11606=3 HB VAL 104 - HA LYS 115 lone 6 87 - 6 - 10225/3.9=3, 10224/10456=1 HB2 LYS 123 - HA LYS 115 lone 4 100 - 4 - HB3 LYS 17 - HA LYS 115 lone 3 87 - 3 - HB ILE 15 - HA LYS 115 lone 2 61 - 2 - HB2 LEU 70 - HA LYS 115 lone 1 96 - 2 - HB2 LYS 39 - HA LYS 115 lone 1 100 - 1 - HB3 LYS 40 - HA LYS 115 lone 1 90 - 1 - HB3 LYS 39 - HA LYS 115 lone 1 81 - 1 - HG2 MET 121 - HA LYS 115 lone 1 70 - 1 - HB2 LEU 127 - HA LYS 115 lone 0 100 - 0 - HB3 MET 42 - HA LYS 115 lone 0 73 - 1 - HB VAL 29 - HA LYS 115 lone 0 61 - 1 - HB3 GLU 41 - HA LYS 115 lone 0 77 - 0 - HB2 GLU 41 - HA LYS 115 lone 0 73 - 0 - HB3 GLU 52 - HA LYS 115 lone 0 65 - 0 - Peak 6703 from cnoeabs.peaks (1.56, 3.80, 59.88 ppm; 3.51 A): 2 out of 11 assignments used, quality = 0.95: * HG2 LYS 115 + HA LYS 115 OK 92 100 - 92 - 3.9=71, 729/3.6=15...(20) HG2 LYS 65 + HA LYS 115 OK 42 87 - 49 - 6730=7, 1753/3.0=7...(20) HG2 LYS 123 - HA LYS 115 lone 8 81 - 10 - HG3 LYS 96 - HA LYS 115 lone 4 94 - 4 - HD2 LYS 106 - HA LYS 115 lone 3 100 - 3 - HD3 LYS 106 - HA LYS 115 lone 3 100 - 3 - HG12 ILE 3 - HA LYS 115 lone 3 100 - 3 - HB3 LEU 70 - HA LYS 115 lone 3 94 - 3 - HB VAL 78 - HA LYS 115 lone 2 99 - 2 - 10129/10456=1 HG LEU 55 - HA LYS 115 lone 2 99 - 2 - QB ALA 46 - HA LYS 115 lone 1 90 - 1 - Peak 6704 from cnoeabs.peaks (1.30, 3.80, 59.88 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 115 + HA LYS 115 OK 100 100 - 100 - 3.9=100 Peak 6705 from cnoeabs.peaks (1.66, 3.80, 59.88 ppm; 3.59 A): 4 out of 13 assignments used, quality = 1.00: * HD2 LYS 115 + HA LYS 115 OK 86 100 - 86 - 4.9=38, 2.9/6703=16...(44) HD3 LYS 115 + HA LYS 115 OK 86 100 - 86 - 4.9=38, 2.9/6703=16...(44) HD2 LYS 65 + HA LYS 115 OK 54 100 - 54 - 3.0/6703=7, 6750=4...(22) HD3 LYS 65 + HA LYS 115 OK 53 99 - 54 - 3.0/6703=7, 6750=4...(22) HG LEU 114 - HA LYS 115 OK 41 99 - 41 - ~723=6, ~7886=6, ~724=5...(12) HG LEU 64 - HA LYS 115 OK 18 81 - 22 - 2.1/10452=6, 3.0/8262=5...(8) HB ILE 5 - HA LYS 115 lone 2 92 - 2 - HD3 LYS 49 - HA LYS 115 lone 1 100 - 1 - HD2 LYS 49 - HA LYS 115 lone 1 100 - 1 - HB2 ARG 30 - HA LYS 115 lone 1 100 - 1 - HG LEU 90 - HA LYS 115 lone 1 70 - 1 - HB2 GLU 52 - HA LYS 115 lone 1 100 - 1 - HG3 ARG 95 - HA LYS 115 lone 0 61 - 1 - Peak 6706 from cnoeabs.peaks (1.66, 3.80, 59.88 ppm; 3.59 A): 4 out of 13 assignments used, quality = 1.00: * HD3 LYS 115 + HA LYS 115 OK 86 100 - 86 - 4.9=38, 2.9/6703=16...(44) HD2 LYS 115 + HA LYS 115 OK 86 100 - 86 - 4.9=38, 2.9/6703=16...(44) HD2 LYS 65 + HA LYS 115 OK 53 99 - 54 - 3.0/6703=7, 6760=4...(22) HD3 LYS 65 + HA LYS 115 OK 51 96 - 54 - 3.0/6703=7, 6750=4...(22) HG LEU 114 - HA LYS 115 OK 39 96 - 41 - ~723=6, ~7886=6, ~724=5...(12) HG LEU 64 - HA LYS 115 OK 15 70 - 21 - 2.1/10452=6, 3.0/8262=5...(7) HB ILE 5 - HA LYS 115 lone 2 84 - 2 - HD2 LYS 49 - HA LYS 115 lone 1 98 - 1 - HD3 LYS 49 - HA LYS 115 lone 1 98 - 1 - HB2 ARG 30 - HA LYS 115 lone 1 99 - 1 - HD2 LYS 43 - HA LYS 115 lone 1 61 - 1 - HB2 GLU 52 - HA LYS 115 lone 1 100 - 1 - HG3 ARG 95 - HA LYS 115 lone 1 73 - 1 - Peak 6709 from cnoeabs.peaks (7.62, 1.93, 32.18 ppm; 3.07 A): 3 out of 77 assignments used, quality = 0.96: * H LYS 115 + HB2 LYS 115 OK 77 100 - 77 - 4.0=44, 1754/3.0=12...(17) H LYS 115 + HB3 LYS 115 OK 74 96 - 77 - 4.0=44, 1754/3.0=12...(17) H LYS 115 + HB3 LYS 65 OK 38 94 - 40 - 1751=7, 1753/2.9=5...(14) H LYS 115 - HB2 LYS 65 OK 37 92 - 40 - 1751=6, 1753/2.9=5...(14) H LEU 64 - HB3 LYS 65 OK 21 85 - 25 - 2084/4.7=8, 1907/4.0=7...(6) H LEU 64 - HB2 LYS 65 OK 20 83 - 25 - 2084/4.7=8, 1907/4.0=7...(6) H GLU 69 - HB3 LYS 65 OK 10 83 - 12 - 8129/3.0=5, 391/4.0=2 H GLU 69 - HB2 LYS 65 poor 10 80 - 12 - 8129/3.0=5, 391/4.0=2 H GLU 69 - HB2 LYS 123 poor 8 76 - 11 - 2107/2.9=3, 425/2.9=2...(5) H GLN 100 - HB2 LYS 115 lone 8 98 - 8 - 6739/3.0=2, 725/4.4=1 H GLN 100 - HB3 LYS 115 lone 7 92 - 8 - 6739/3.0=2, 725/4.4=1 H LEU 64 - HB2 LYS 115 lone 7 94 - 7 - 725/4.4=1, 4.6/1425=1 H LEU 64 - HB3 LYS 115 lone 6 87 - 7 - 725/4.4=1, 4.6/1424=1 H GLU 69 - HB3 LYS 123 lone 4 46 - 10 - 2107/2.9=3, 425/2.9=2...(5) H LYS 115 - HB2 LYS 123 lone 4 88 - 4 - HE21 GLN 85 - HB3 LYS 65 lone 3 89 - 4 - HE21 GLN 85 - HB2 LYS 65 lone 3 86 - 4 - H GLU 69 - HB2 LYS 115 lone 3 92 - 3 - H GLU 69 - HB3 LYS 115 lone 3 84 - 3 - H GLN 100 - HB3 LYS 65 lone 3 90 - 3 - H GLN 100 - HB2 LYS 65 lone 3 88 - 3 - H LYS 16 - HB2 LYS 115 lone 3 84 - 3 - HE21 GLN 85 - HB2 LYS 115 lone 2 97 - 2 - H LYS 16 - HB3 LYS 115 lone 2 76 - 3 - HE21 GLN 85 - HB3 LYS 115 lone 2 90 - 2 - H LYS 115 - HB3 LYS 123 lone 2 55 - 4 - H LYS 16 - HB2 LYS 123 lone 2 68 - 3 - H ASP 34 - HB2 LYS 115 lone 2 100 - 2 - H LEU 74 - HB2 LYS 115 lone 2 96 - 2 - H ASP 34 - HB3 LYS 115 lone 2 96 - 2 - H ASP 34 - HB3 LYS 65 lone 2 94 - 2 - H LEU 74 - HB3 LYS 115 lone 2 89 - 2 - H ASP 34 - HB2 LYS 65 lone 2 92 - 2 - H ALA 46 - HB3 LYS 65 lone 1 49 - 3 - H ALA 46 - HB2 LYS 65 lone 1 48 - 3 - H LEU 74 - HB2 LYS 123 lone 1 80 - 2 - H LEU 64 - HB2 LYS 123 lone 1 78 - 2 - H LEU 64 - HB2 LYS 39 lone 1 78 - 2 - H LEU 74 - HB3 LYS 65 lone 1 87 - 1 - H LEU 74 - HB2 LYS 65 lone 1 85 - 1 - H LYS 16 - HB3 LYS 123 lone 1 40 - 3 - H LYS 16 - HB2 LYS 39 lone 1 67 - 1 - H ALA 46 - HB2 LYS 123 lone 1 44 - 2 - H LYS 115 - HB2 LYS 39 lone 1 87 - 1 - H LEU 74 - HB2 LYS 39 lone 1 80 - 1 - H LYS 16 - HB3 LYS 65 lone 1 74 - 1 - H LYS 16 - HB2 LYS 65 lone 1 72 - 1 - HE21 GLN 85 - HB2 LYS 123 lone 1 82 - 1 - HD21 ASN 50 - HB3 LYS 65 lone 1 64 - 1 - HD21 ASN 50 - HB2 LYS 65 lone 1 62 - 1 - H GLN 100 - HB2 LYS 123 lone 1 83 - 1 - H GLU 69 - HB2 LYS 39 lone 1 75 - 1 - HE ARG 105 - HB2 LYS 115 lone 1 65 - 1 - HD21 ASN 50 - HB2 LYS 115 lone 1 73 - 1 - H LEU 74 - HB3 LYS 123 lone 1 49 - 1 - HE ARG 105 - HB3 LYS 115 lone 1 58 - 1 - HD21 ASN 50 - HB3 LYS 115 lone 1 66 - 1 - H ALA 46 - HB2 LYS 115 lone 1 57 - 1 - H ALA 46 - HB3 LYS 123 lone 1 25 - 2 - H ALA 46 - HB3 LYS 115 lone 0 51 - 1 - H GLN 100 - HB2 LYS 39 lone 0 83 - 1 - HE21 GLN 85 - HB3 LYS 123 lone 0 50 - 1 - H LEU 64 - HB3 LYS 123 lone 0 47 - 1 - H ASP 34 - HB2 LYS 123 lone 0 88 - 0 - HE21 GLN 85 - HB2 LYS 39 lone 0 82 - 0 - H GLN 100 - HB3 LYS 123 lone 0 52 - 1 - H ASP 34 - HB2 LYS 39 lone 0 87 - 0 - HE ARG 105 - HB3 LYS 65 lone 0 57 - 0 - HE ARG 105 - HB2 LYS 65 lone 0 55 - 0 - H ALA 46 - HB2 LYS 39 lone 0 44 - 0 - H ASP 34 - HB3 LYS 123 lone 0 55 - 0 - HE ARG 105 - HB2 LYS 123 lone 0 51 - 0 - HD21 ASN 50 - HB2 LYS 123 lone 0 58 - 0 - HD21 ASN 50 - HB2 LYS 39 lone 0 58 - 0 - HE ARG 105 - HB2 LYS 39 lone 0 51 - 0 - HD21 ASN 50 - HB3 LYS 123 lone 0 34 - 0 - HE ARG 105 - HB3 LYS 123 lone 0 29 - 0 - Peak 6710 from cnoeabs.peaks (3.80, 1.93, 32.18 ppm; 3.11 A): 4 out of 4 assignments used, quality = 1.00: * HA LYS 115 + HB2 LYS 115 OK 100 100 - 100 - 3.0=100 HA LYS 115 + HB3 LYS 115 OK 96 96 - 100 - 3.0=100 HA LYS 65 + HB3 LYS 65 OK 90 90 - 100 - 3.0=100 HA LYS 65 + HB2 LYS 65 OK 88 88 - 100 - 3.0=100 Peak 6711 from cnoeabs.peaks (1.93, 1.93, 32.18 ppm; diagonal): 6 out of 7 assignments used, quality = 1.00: * HB2 LYS 115 + HB2 LYS 115 OK 100 100 - 100 HB3 LYS 115 + HB3 LYS 115 OK 92 92 - 100 HB3 LYS 65 + HB3 LYS 65 OK 91 91 - 100 HB2 LYS 65 + HB2 LYS 65 OK 88 88 - 100 HB2 LYS 123 + HB2 LYS 123 OK 83 83 - 100 HB2 LYS 39 + HB2 LYS 39 OK 83 83 - 100 HB3 LYS 123 - HB3 LYS 123 OK 38 38 - 100 Peak 6712 from cnoeabs.peaks (1.93, 1.93, 32.18 ppm; diagonal): 6 out of 6 assignments used, quality = 1.00: HB2 LYS 115 + HB2 LYS 115 OK 98 98 - 100 HB3 LYS 115 + HB3 LYS 115 OK 96 96 - 100 HB3 LYS 65 + HB3 LYS 65 OK 94 94 - 100 HB2 LYS 65 + HB2 LYS 65 OK 92 92 - 100 HB2 LYS 123 + HB2 LYS 123 OK 88 88 - 100 HB2 LYS 39 + HB2 LYS 39 OK 87 87 - 100 Reference assignment not found: HB3 LYS 115 - HB2 LYS 115 Peak 6713 from cnoeabs.peaks (1.56, 1.93, 32.18 ppm; 2.83 A): 5 out of 77 assignments used, quality = 1.00: * HG2 LYS 115 + HB2 LYS 115 OK 94 100 - 94 - 3.0=88, 6703/3.0=10...(17) HG2 LYS 115 + HB3 LYS 115 OK 90 96 - 94 - 3.0=88, 6703/3.0=10...(17) HG2 LYS 65 + HB3 LYS 65 OK 75 77 - 97 - 2.9=93, 4797/3.0=8...(20) HG2 LYS 65 + HB2 LYS 65 OK 73 75 - 97 - 2.9=93, 4797/3.0=8...(20) HG2 LYS 123 + HB2 LYS 123 OK 62 64 - 96 - 2.9=89, 7104/3.8=10...(30) HG2 LYS 123 - HB3 LYS 123 OK 36 38 - 96 - 2.9=89, 7104/3.8=10...(37) HG2 LYS 115 - HB3 LYS 65 OK 32 94 - 34 - 6731=3, 4797/3.0=3...(11) HG2 LYS 115 - HB2 LYS 65 OK 31 92 - 34 - 4797/3.0=3, 6731=3...(11) HG2 LYS 65 - HB2 LYS 115 OK 25 87 - 29 - 6703/3.0=4, 1753/4.0=3...(7) HG2 LYS 65 - HB3 LYS 115 OK 23 79 - 29 - 6703/3.0=4, 1753/4.0=3...(7) HG2 LYS 123 - HB2 LYS 65 poor 9 69 - 13 - 2.9/7129=2, 2.9/7119=2 HG2 LYS 123 - HB3 LYS 65 poor 9 71 - 12 - 2.9/7129=2, 2.9/7119=2, ~7129=1 HG3 LYS 96 - HB2 LYS 39 poor 8 78 - 11 - 6111/4.3=2, 7799/4.0=2 HG2 LYS 123 - HB3 LYS 115 poor 8 73 - 11 - 2.9/7129=2, 2.9/7119=1 HG2 LYS 123 - HB2 LYS 115 lone 8 81 - 10 - 2.9/7129=1, 2.9/7119=1 HG2 LYS 123 - HB2 LYS 39 poor 7 64 - 11 - 2.9/7129=2, 2.9/7119=2 HG12 ILE 3 - HB2 LYS 123 lone 5 88 - 6 - 2.1/10654=2, ~10654=2, ~9015=1 HB3 LEU 70 - HB2 LYS 123 lone 4 78 - 5 - HG2 LYS 115 - HB2 LYS 123 lone 4 88 - 4 - HB3 LEU 70 - HB3 LYS 65 lone 3 85 - 4 - HG3 LYS 96 - HB2 LYS 123 lone 3 78 - 4 - HB3 LEU 70 - HB2 LYS 65 lone 3 83 - 4 - HG12 ILE 3 - HB3 LYS 123 lone 3 55 - 6 - 2.1/10654=3, ~10654=1, ~9015=1 HG12 ILE 3 - HB2 LYS 115 lone 3 100 - 3 - HG12 ILE 3 - HB3 LYS 115 lone 3 96 - 3 - HG12 ILE 3 - HB3 LYS 65 lone 2 94 - 3 - HG12 ILE 3 - HB2 LYS 65 lone 2 92 - 3 - HB3 LEU 70 - HB2 LYS 115 lone 2 94 - 2 - HB3 LEU 70 - HB3 LYS 115 lone 2 87 - 3 - HG2 LYS 115 - HB3 LYS 123 lone 2 55 - 4 - HG3 LYS 96 - HB2 LYS 115 lone 2 94 - 2 - HG2 LYS 65 - HB2 LYS 123 lone 2 70 - 3 - HG3 LYS 96 - HB3 LYS 115 lone 2 87 - 2 - QB ALA 46 - HB3 LYS 65 lone 2 80 - 2 - QB ALA 46 - HB2 LYS 65 lone 2 78 - 2 - HG3 LYS 96 - HB3 LYS 65 lone 2 85 - 2 - HD2 LYS 106 - HB2 LYS 115 lone 1 100 - 1 - HD3 LYS 106 - HB2 LYS 115 lone 1 100 - 1 - HG3 LYS 96 - HB3 LYS 123 lone 2 47 - 3 - HG3 LYS 96 - HB2 LYS 65 lone 1 83 - 2 - HD2 LYS 106 - HB3 LYS 115 lone 1 96 - 1 - HD3 LYS 106 - HB3 LYS 115 lone 1 96 - 1 - HB3 LEU 70 - HB3 LYS 123 lone 1 47 - 3 - HG LEU 55 - HB2 LYS 115 lone 1 99 - 1 - HG LEU 55 - HB3 LYS 115 lone 1 93 - 1 - HG2 LYS 65 - HB3 LYS 123 lone 1 42 - 2 - QB ALA 46 - HB2 LYS 115 lone 1 90 - 1 - HB VAL 78 - HB3 LYS 65 lone 1 92 - 1 - HB VAL 78 - HB2 LYS 115 lone 1 99 - 1 - HB VAL 78 - HB2 LYS 65 lone 1 90 - 1 - HB VAL 78 - HB3 LYS 115 lone 1 94 - 1 - HG2 LYS 115 - HB2 LYS 39 lone 1 87 - 1 - QB ALA 46 - HB3 LYS 115 lone 1 82 - 1 - HB VAL 78 - HB2 LYS 39 lone 1 86 - 1 - HD2 LYS 106 - HB3 LYS 65 lone 1 94 - 1 - QB ALA 46 - HB2 LYS 123 lone 1 73 - 1 - HD3 LYS 106 - HB3 LYS 65 lone 1 94 - 1 - HD2 LYS 106 - HB2 LYS 65 lone 1 92 - 1 - HD3 LYS 106 - HB2 LYS 65 lone 1 92 - 1 - HB VAL 78 - HB2 LYS 123 lone 1 86 - 1 - HB3 LEU 70 - HB2 LYS 39 lone 1 78 - 1 - HG LEU 55 - HB3 LYS 65 lone 1 91 - 1 - HG LEU 55 - HB2 LYS 65 lone 1 89 - 1 - HG12 ILE 3 - HB2 LYS 39 lone 0 87 - 1 - HD3 LYS 106 - HB2 LYS 39 lone 0 87 - 1 - HD2 LYS 106 - HB2 LYS 39 lone 0 87 - 1 - HG2 LYS 65 - HB2 LYS 39 lone 0 70 - 1 - HG LEU 55 - HB2 LYS 123 lone 0 85 - 0 - HD3 LYS 106 - HB2 LYS 123 lone 0 88 - 0 - HD2 LYS 106 - HB2 LYS 123 lone 0 88 - 0 - QB ALA 46 - HB3 LYS 123 lone 0 44 - 1 - HG LEU 55 - HB2 LYS 39 lone 0 84 - 0 - QB ALA 46 - HB2 LYS 39 lone 0 73 - 0 - HD3 LYS 106 - HB3 LYS 123 lone 0 55 - 0 - HD2 LYS 106 - HB3 LYS 123 lone 0 55 - 0 - HG LEU 55 - HB3 LYS 123 lone 0 53 - 0 - HB VAL 78 - HB3 LYS 123 lone 0 53 - 0 - Peak 6714 from cnoeabs.peaks (1.30, 1.93, 32.18 ppm; 3.69 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 115 + HB2 LYS 115 OK 100 100 - 100 - 3.0=100 HG3 LYS 115 + HB3 LYS 115 OK 96 96 - 100 - 3.0=100 Peak 6715 from cnoeabs.peaks (1.66, 1.93, 32.18 ppm; 2.63 A): 8 out of 91 assignments used, quality = 1.00: HD2 LYS 65 + HB3 LYS 65 OK 76 94 - 81 - 3.4=46, 4839/2.9=6...(41) HD2 LYS 65 + HB2 LYS 65 OK 74 92 - 81 - 3.4=46, 4839/2.9=6...(41) HD3 LYS 65 + HB3 LYS 65 OK 74 91 - 81 - 3.4=46, 4839/2.9=6...(43) HD3 LYS 65 + HB2 LYS 65 OK 72 89 - 81 - 3.4=46, 4839/2.9=6...(43) HD3 LYS 115 + HB2 LYS 115 OK 71 100 - 71 - 3.7=36, 6736/3.0=4...(42) * HD2 LYS 115 + HB2 LYS 115 OK 71 100 - 71 - 3.7=36, 6736/3.0=4...(41) HD2 LYS 115 + HB3 LYS 115 OK 68 96 - 71 - 3.7=36, 6736/3.0=4...(38) HD3 LYS 115 + HB3 LYS 115 OK 67 95 - 71 - 3.7=36, 6736/3.0=4...(41) HD2 LYS 115 - HB3 LYS 65 OK 39 94 - 42 - 4839/2.9=3, 4799/3.0=2...(15) HD3 LYS 115 - HB3 LYS 65 OK 39 93 - 42 - 4839/2.9=3, 4799/3.0=2...(15) HD2 LYS 115 - HB2 LYS 65 OK 39 92 - 42 - 4839/2.9=3, 4799/3.0=2...(15) HD3 LYS 115 - HB2 LYS 65 OK 38 91 - 42 - 4839/2.9=3, 4799/3.0=2...(15) HD2 LYS 65 - HB2 LYS 115 OK 31 100 - 31 - 6706/3.0=2, 6751=1...(7) HD3 LYS 65 - HB2 LYS 115 OK 31 99 - 32 - 6705/3.0=2, 4856=1...(8) HD2 LYS 65 - HB3 LYS 115 OK 30 95 - 31 - 6706/3.0=2, 4856=1...(7) HD3 LYS 65 - HB3 LYS 115 OK 29 93 - 32 - 6705/3.0=2, 4856=1...(7) HG LEU 114 - HB2 LYS 115 lone 10 99 - 10 - 7884/4.0=2, 6705/3.0=2...(4) HG LEU 114 - HB3 LYS 115 lone 9 93 - 10 - 7884/4.0=2, 6705/3.0=2...(4) HG LEU 64 - HB3 LYS 65 lone 6 71 - 9 - ~10805=2, 7619/4.0=1...(4) HG LEU 64 - HB2 LYS 65 lone 6 69 - 9 - ~10805=2, 7619/4.0=1, 4800/3.0=1 HG LEU 114 - HB3 LYS 65 lone 6 91 - 6 - ~8127=1 HG LEU 64 - HB2 LYS 115 lone 5 81 - 7 - ~10452=1 HG LEU 114 - HB2 LYS 65 lone 5 89 - 6 - ~8127=1 HG LEU 64 - HB3 LYS 115 lone 5 73 - 7 - ~10452=1 HD3 LYS 49 - HB2 LYS 123 lone 3 87 - 4 - HD2 LYS 49 - HB2 LYS 123 lone 3 87 - 4 - HG LEU 90 - HB3 LYS 65 lone 3 61 - 5 - ~10981=2 HG LEU 90 - HB2 LYS 65 lone 3 59 - 5 - ~10981=2 HD2 LYS 65 - HB2 LYS 123 lone 2 87 - 3 - HD3 LYS 65 - HB2 LYS 123 lone 2 85 - 3 - HD2 LYS 115 - HB2 LYS 123 lone 2 88 - 2 - HD3 LYS 115 - HB2 LYS 123 lone 2 87 - 2 - HD2 LYS 115 - HB3 LYS 123 lone 2 55 - 3 - HD2 LYS 65 - HB3 LYS 123 lone 2 55 - 3 - HD3 LYS 115 - HB3 LYS 123 lone 2 54 - 3 - HD3 LYS 65 - HB3 LYS 123 lone 1 53 - 3 - HG LEU 90 - HB2 LYS 39 lone 1 54 - 2 - HD3 LYS 49 - HB3 LYS 123 lone 1 54 - 2 - HD2 LYS 49 - HB3 LYS 123 lone 1 54 - 2 - HD3 LYS 49 - HB2 LYS 65 lone 1 91 - 1 - HD2 LYS 49 - HB2 LYS 65 lone 1 91 - 1 - HD3 LYS 49 - HB3 LYS 65 lone 1 93 - 1 - HD2 LYS 49 - HB3 LYS 65 lone 1 93 - 1 - HG LEU 114 - HB2 LYS 123 lone 1 85 - 1 - HB ILE 5 - HB2 LYS 115 lone 1 92 - 1 - HG3 ARG 95 - HB2 LYS 123 lone 1 48 - 2 - HB ILE 5 - HB3 LYS 115 lone 1 84 - 1 - HD2 LYS 49 - HB3 LYS 115 lone 1 95 - 1 - HD3 LYS 49 - HB3 LYS 115 lone 1 95 - 1 - HD2 LYS 49 - HB2 LYS 115 lone 1 100 - 1 - HD3 LYS 49 - HB2 LYS 115 lone 1 100 - 1 - HG3 ARG 95 - HB2 LYS 39 lone 1 48 - 1 - HB ILE 5 - HB3 LYS 65 lone 1 83 - 1 - HG LEU 114 - HB2 LYS 39 lone 1 84 - 1 - HB ILE 5 - HB2 LYS 65 lone 1 80 - 1 - HG LEU 64 - HB2 LYS 123 lone 1 64 - 1 - HD2 LYS 115 - HB2 LYS 39 lone 1 87 - 1 - HG LEU 90 - HB2 LYS 123 lone 1 55 - 1 - HB ILE 5 - HB2 LYS 123 lone 1 76 - 1 - HD3 LYS 115 - HB2 LYS 39 lone 1 86 - 1 - HD2 LYS 49 - HB2 LYS 39 lone 0 86 - 1 - HD3 LYS 49 - HB2 LYS 39 lone 0 86 - 1 - HG LEU 114 - HB3 LYS 123 lone 1 53 - 1 - HD2 LYS 65 - HB2 LYS 39 lone 0 87 - 1 - HD3 LYS 65 - HB2 LYS 39 lone 0 84 - 1 - HG LEU 64 - HB2 LYS 39 lone 0 64 - 1 - HG LEU 90 - HB2 LYS 115 lone 0 70 - 1 - HG LEU 90 - HB3 LYS 115 lone 0 62 - 1 - HB2 ARG 30 - HB2 LYS 115 lone 0 100 - 0 - HG3 ARG 95 - HB3 LYS 123 lone 0 27 - 1 - HB2 ARG 30 - HB3 LYS 115 lone 0 95 - 0 - HB2 ARG 30 - HB3 LYS 65 lone 0 94 - 0 - HB2 ARG 30 - HB2 LYS 65 lone 0 92 - 0 - HB2 GLU 52 - HB3 LYS 65 lone 0 94 - 0 - HB2 GLU 52 - HB2 LYS 115 lone 0 100 - 0 - HB2 GLU 52 - HB2 LYS 65 lone 0 92 - 0 - HB2 GLU 52 - HB3 LYS 115 lone 0 96 - 0 - HB ILE 5 - HB2 LYS 39 lone 0 75 - 0 - HG LEU 90 - HB3 LYS 123 lone 0 31 - 1 - HB ILE 5 - HB3 LYS 123 lone 0 46 - 1 - HG LEU 64 - HB3 LYS 123 lone 0 38 - 1 - HB2 GLU 52 - HB2 LYS 123 lone 0 88 - 0 - HB2 ARG 30 - HB2 LYS 123 lone 0 87 - 0 - HB2 ARG 30 - HB2 LYS 39 lone 0 87 - 0 - HG3 ARG 95 - HB2 LYS 115 lone 0 61 - 0 - HB2 GLU 52 - HB2 LYS 39 lone 0 87 - 0 - HG3 ARG 95 - HB3 LYS 115 lone 0 55 - 0 - HB2 GLU 52 - HB3 LYS 123 lone 0 55 - 0 - HG3 ARG 95 - HB3 LYS 65 lone 0 53 - 0 - HB2 ARG 30 - HB3 LYS 123 lone 0 55 - 0 - HG3 ARG 95 - HB2 LYS 65 lone 0 51 - 0 - Peak 6716 from cnoeabs.peaks (1.66, 1.93, 32.18 ppm; 2.63 A): 8 out of 91 assignments used, quality = 1.00: HD2 LYS 65 + HB3 LYS 65 OK 74 91 - 80 - 3.4=46, 4839/2.9=6...(41) HD2 LYS 65 + HB2 LYS 65 OK 72 89 - 80 - 3.4=46, 4839/2.9=6...(41) * HD3 LYS 115 + HB2 LYS 115 OK 71 100 - 71 - 3.7=36, 6736/3.0=4...(42) HD2 LYS 115 + HB2 LYS 115 OK 71 100 - 71 - 3.7=36, 6736/3.0=4...(41) HD3 LYS 65 + HB3 LYS 65 OK 70 87 - 81 - 3.4=46, 4839/2.9=6...(43) HD3 LYS 65 + HB2 LYS 65 OK 68 85 - 81 - 3.4=46, 4839/2.9=6...(43) HD3 LYS 115 + HB3 LYS 115 OK 68 96 - 71 - 3.7=36, 6736/3.0=4...(41) HD2 LYS 115 + HB3 LYS 115 OK 67 95 - 71 - 3.7=36, 6736/3.0=4...(38) HD3 LYS 115 - HB3 LYS 65 OK 40 94 - 42 - 4839/2.9=3, 4799/3.0=2...(15) HD2 LYS 115 - HB3 LYS 65 OK 39 93 - 42 - 4839/2.9=3, 4799/3.0=2...(15) HD3 LYS 115 - HB2 LYS 65 OK 39 92 - 42 - 4839/2.9=3, 4799/3.0=2...(15) HD2 LYS 115 - HB2 LYS 65 OK 38 91 - 42 - 4839/2.9=3, 4799/3.0=2...(15) HD2 LYS 65 - HB2 LYS 115 OK 31 99 - 31 - 6706/3.0=2, 6761=1...(7) HD3 LYS 65 - HB2 LYS 115 OK 30 96 - 32 - 6705/3.0=2, 6751=1...(7) HD2 LYS 65 - HB3 LYS 115 OK 29 93 - 31 - 6706/3.0=2, 1756/4.0=1...(7) HD3 LYS 65 - HB3 LYS 115 OK 28 89 - 32 - 6705/3.0=2, 4846=1...(7) HG LEU 114 - HB2 LYS 115 lone 9 96 - 10 - 7884/4.0=2, 6705/3.0=2...(4) HG LEU 114 - HB3 LYS 115 lone 9 89 - 10 - 7884/4.0=2, 6705/3.0=2...(4) HG LEU 114 - HB3 LYS 65 lone 5 87 - 6 - ~8127=1 HG LEU 114 - HB2 LYS 65 lone 5 85 - 6 - ~8127=1 HG LEU 64 - HB3 LYS 65 lone 5 61 - 8 - ~10805=2, 4800/3.0=1...(4) HG LEU 64 - HB2 LYS 65 lone 5 59 - 8 - ~10805=2, 4800/3.0=1, 1429/4.0=1 HG LEU 64 - HB2 LYS 115 lone 5 70 - 7 - ~10452=1 HG LEU 64 - HB3 LYS 115 lone 4 62 - 7 - ~10452=1 HD2 LYS 49 - HB2 LYS 123 lone 3 83 - 4 - HD3 LYS 49 - HB2 LYS 123 lone 3 83 - 4 - HD2 LYS 65 - HB2 LYS 123 lone 2 85 - 3 - HD3 LYS 65 - HB2 LYS 123 lone 2 80 - 3 - HD3 LYS 115 - HB2 LYS 123 lone 2 88 - 2 - HD2 LYS 115 - HB2 LYS 123 lone 2 87 - 2 - HD2 LYS 43 - HB2 LYS 39 lone 2 48 - 4 - HD3 LYS 115 - HB3 LYS 123 lone 2 55 - 3 - HD2 LYS 115 - HB3 LYS 123 lone 2 54 - 3 - HD2 LYS 65 - HB3 LYS 123 lone 1 53 - 3 - HD3 LYS 65 - HB3 LYS 123 lone 1 49 - 3 - HD2 LYS 49 - HB3 LYS 123 lone 1 52 - 2 - HD3 LYS 49 - HB3 LYS 123 lone 1 52 - 2 - HD2 LYS 49 - HB2 LYS 65 lone 1 88 - 1 - HD3 LYS 49 - HB2 LYS 65 lone 1 88 - 1 - HD2 LYS 49 - HB3 LYS 65 lone 1 90 - 1 - HD3 LYS 49 - HB3 LYS 65 lone 1 90 - 1 - HG3 ARG 95 - HB2 LYS 123 lone 1 58 - 2 - HG LEU 114 - HB2 LYS 123 lone 1 80 - 1 - HG3 ARG 95 - HB2 LYS 39 lone 1 58 - 2 - 7792/4.3=1 HB ILE 5 - HB2 LYS 115 lone 1 84 - 1 - HD3 LYS 49 - HB3 LYS 115 lone 1 92 - 1 - HD2 LYS 49 - HB3 LYS 115 lone 1 92 - 1 - HD3 LYS 49 - HB2 LYS 115 lone 1 98 - 1 - HD2 LYS 49 - HB2 LYS 115 lone 1 98 - 1 - HB ILE 5 - HB3 LYS 115 lone 1 76 - 1 - HG3 ARG 95 - HB3 LYS 65 lone 1 64 - 1 - HG3 ARG 95 - HB2 LYS 65 lone 1 62 - 1 - HD3 LYS 115 - HB2 LYS 39 lone 1 87 - 1 - HG LEU 114 - HB2 LYS 39 lone 1 80 - 1 - HD2 LYS 115 - HB2 LYS 39 lone 1 86 - 1 - HB ILE 5 - HB3 LYS 65 lone 0 74 - 1 - HD3 LYS 49 - HB2 LYS 39 lone 0 83 - 1 - HD2 LYS 49 - HB2 LYS 39 lone 0 83 - 1 - HB ILE 5 - HB2 LYS 65 lone 0 72 - 1 - HD2 LYS 65 - HB2 LYS 39 lone 0 84 - 1 - HG LEU 114 - HB3 LYS 123 lone 0 49 - 1 - HB ILE 5 - HB2 LYS 123 lone 0 68 - 1 - HD3 LYS 65 - HB2 LYS 39 lone 0 80 - 1 - HG3 ARG 95 - HB3 LYS 123 lone 0 34 - 1 - HG LEU 64 - HB2 LYS 123 lone 0 55 - 1 - HG LEU 64 - HB2 LYS 39 lone 0 54 - 1 - HB2 ARG 30 - HB2 LYS 115 lone 0 99 - 0 - HD2 LYS 43 - HB2 LYS 115 lone 0 61 - 1 - HB2 ARG 30 - HB3 LYS 115 lone 0 93 - 0 - HB2 ARG 30 - HB3 LYS 65 lone 0 91 - 0 - HB2 ARG 30 - HB2 LYS 65 lone 0 89 - 0 - HD2 LYS 43 - HB2 LYS 123 lone 0 48 - 1 - HB2 GLU 52 - HB2 LYS 115 lone 0 100 - 0 - HB2 GLU 52 - HB3 LYS 65 lone 0 93 - 0 - HB2 GLU 52 - HB2 LYS 65 lone 0 91 - 0 - HB2 GLU 52 - HB3 LYS 115 lone 0 95 - 0 - HD2 LYS 43 - HB3 LYS 115 lone 0 55 - 0 - HD2 LYS 43 - HB3 LYS 65 lone 0 53 - 0 - HD2 LYS 43 - HB2 LYS 65 lone 0 51 - 0 - HB ILE 5 - HB2 LYS 39 lone 0 67 - 0 - HG3 ARG 95 - HB2 LYS 115 lone 0 73 - 0 - HB2 GLU 52 - HB2 LYS 123 lone 0 87 - 0 - HB ILE 5 - HB3 LYS 123 lone 0 40 - 1 - HG3 ARG 95 - HB3 LYS 115 lone 0 66 - 0 - HG LEU 64 - HB3 LYS 123 lone 0 31 - 1 - HB2 ARG 30 - HB2 LYS 123 lone 0 85 - 0 - HB2 ARG 30 - HB2 LYS 39 lone 0 84 - 0 - HB2 GLU 52 - HB2 LYS 39 lone 0 86 - 0 - HD2 LYS 43 - HB3 LYS 123 lone 0 27 - 1 - HB2 GLU 52 - HB3 LYS 123 lone 0 54 - 0 - HB2 ARG 30 - HB3 LYS 123 lone 0 53 - 0 - Peak 6717 from cnoeabs.peaks (2.91, 1.93, 32.18 ppm; 3.79 A): 14 out of 98 assignments used, quality = 1.00: * HE2 LYS 115 + HB2 LYS 115 OK 88 100 - 88 - 4.8=49, 6774/3.0=10...(58) HE3 LYS 115 + HB2 LYS 115 OK 88 100 - 88 - 4.8=49, 6774/3.0=10...(58) HE2 LYS 115 + HB3 LYS 115 OK 84 96 - 88 - 4.8=49, 6784/3.0=10...(58) HE3 LYS 115 + HB3 LYS 115 OK 84 96 - 88 - 4.8=49, 6784/3.0=10...(58) HE3 LYS 65 + HB3 LYS 65 OK 82 89 - 92 - 4.8=51, 4868/2.9=8...(77) HE2 LYS 65 + HB3 LYS 65 OK 82 89 - 92 - 4.8=51, 4868/2.9=8...(77) HE3 LYS 65 + HB2 LYS 65 OK 79 86 - 92 - 4.8=51, 4868/2.9=8...(77) HE2 LYS 65 + HB2 LYS 65 OK 79 86 - 92 - 4.8=51, 4868/2.9=8...(77) HE3 LYS 115 + HB3 LYS 65 OK 59 94 - 63 - 4878/2.9=4, 4831/2.9=3...(44) HE2 LYS 115 + HB3 LYS 65 OK 59 94 - 63 - 4878/2.9=4, 4831/2.9=3...(44) HE3 LYS 115 + HB2 LYS 65 OK 58 92 - 63 - 4878/2.9=4, 4831/2.9=3...(44) HE2 LYS 115 + HB2 LYS 65 OK 58 92 - 63 - 4878/2.9=4, 4831/2.9=3...(44) HE3 LYS 65 + HB2 LYS 115 OK 47 97 - 48 - 6774/3.0=4, ~6784=2...(24) HE2 LYS 65 + HB2 LYS 115 OK 47 97 - 48 - 6774/3.0=4, ~6784=2...(24) HE3 LYS 65 - HB3 LYS 115 OK 44 90 - 49 - 6784/3.0=4, ~6784=2...(24) HE2 LYS 65 - HB3 LYS 115 OK 44 90 - 49 - 6784/3.0=4, ~6784=2...(24) HE2 LYS 16 - HB2 LYS 115 lone 10 100 - 9 - HE3 LYS 16 - HB2 LYS 115 lone 10 100 - 9 - HE2 LYS 16 - HB3 LYS 115 lone 9 96 - 9 - HE3 LYS 16 - HB3 LYS 115 lone 9 96 - 9 - HE3 LYS 16 - HB3 LYS 65 lone 8 94 - 8 - HE2 LYS 16 - HB3 LYS 65 lone 8 94 - 8 - HE3 LYS 16 - HB2 LYS 65 lone 7 92 - 8 - HE2 LYS 16 - HB2 LYS 65 lone 7 92 - 8 - HE3 LYS 17 - HB2 LYS 115 lone 7 94 - 7 - 1.8/2883=1, 2.9/2863=1 HE3 LYS 17 - HB3 LYS 115 lone 6 87 - 7 - 1.8/2883=1 HE3 LYS 94 - HB2 LYS 65 lone 6 85 - 7 - HE3 LYS 94 - HB3 LYS 65 lone 6 87 - 6 - HE3 LYS 16 - HB2 LYS 39 lone 5 87 - 6 - HE2 LYS 16 - HB2 LYS 39 lone 5 87 - 6 - HE3 LYS 17 - HB2 LYS 123 lone 4 78 - 5 - HE2 LYS 16 - HB2 LYS 123 lone 4 88 - 4 - HE3 LYS 16 - HB2 LYS 123 lone 4 88 - 4 - HE2 LYS 115 - HB2 LYS 123 lone 3 88 - 4 - HE3 LYS 115 - HB2 LYS 123 lone 3 88 - 4 - HE3 LYS 94 - HB3 LYS 115 lone 3 89 - 3 - HE2 LYS 65 - HB2 LYS 123 lone 3 82 - 4 - HE3 LYS 65 - HB2 LYS 123 lone 3 82 - 4 - HE3 LYS 17 - HB3 LYS 65 lone 3 85 - 3 - HE3 LYS 94 - HB2 LYS 115 lone 3 96 - 3 - HE3 LYS 17 - HB2 LYS 65 lone 3 83 - 3 - HE3 LYS 94 - HB2 LYS 123 lone 3 80 - 3 - HE2 LYS 16 - HB3 LYS 123 lone 3 55 - 5 - HE3 LYS 16 - HB3 LYS 123 lone 3 55 - 5 - HE3 LYS 115 - HB3 LYS 123 lone 2 55 - 4 - HE2 LYS 115 - HB3 LYS 123 lone 2 55 - 4 - HE3 LYS 17 - HB3 LYS 123 lone 2 47 - 5 - HE2 LYS 65 - HB3 LYS 123 lone 2 50 - 4 - HE3 LYS 65 - HB3 LYS 123 lone 2 50 - 4 - HB2 ASN 8 - HB3 LYS 65 lone 2 57 - 3 - 38/4.0=2 HB2 ASN 8 - HB2 LYS 65 lone 2 55 - 3 - 38/4.0=2 HE3 LYS 94 - HB2 LYS 39 lone 2 80 - 2 - HE2 LYS 115 - HB2 LYS 39 lone 1 87 - 1 - HE3 LYS 115 - HB2 LYS 39 lone 1 87 - 1 - HE3 LYS 94 - HB3 LYS 123 lone 1 49 - 3 - HE3 LYS 65 - HB2 LYS 39 lone 1 82 - 1 - HE2 LYS 65 - HB2 LYS 39 lone 1 82 - 1 - HE3 LYS 17 - HB2 LYS 39 lone 1 78 - 1 - HB2 ASN 33 - HB2 LYS 115 lone 1 100 - 1 - HB2 ASN 33 - HB3 LYS 115 lone 1 96 - 1 - HB2 ASP 34 - HB2 LYS 115 lone 1 100 - 1 - HB2 ASP 34 - HB2 LYS 123 lone 1 88 - 1 - HB2 ASP 34 - HB3 LYS 115 lone 1 96 - 1 - HB2 ASN 8 - HB2 LYS 115 lone 1 65 - 1 - HB2 ASP 34 - HB3 LYS 65 lone 1 94 - 1 - HB2 ASP 34 - HB2 LYS 65 lone 1 92 - 1 - HB2 ASN 33 - HB3 LYS 65 lone 1 94 - 1 - HB3 ASN 88 - HB3 LYS 65 lone 1 92 - 1 - HB2 ASN 33 - HB2 LYS 65 lone 1 92 - 1 - HB3 ASN 88 - HB2 LYS 65 lone 1 90 - 1 - HB2 ASN 8 - HB3 LYS 115 lone 1 58 - 1 - HB3 ASN 88 - HB2 LYS 115 lone 1 99 - 1 - HB2 ASN 10 - HB2 LYS 115 lone 1 100 - 1 - HB3 ASN 88 - HB3 LYS 115 lone 0 94 - 1 - HB2 ASN 10 - HB3 LYS 115 lone 0 95 - 1 - HB2 ASN 33 - HB2 LYS 39 lone 0 87 - 1 - HB2 ASN 10 - HB3 LYS 65 lone 0 93 - 0 - HB2 ASN 10 - HB2 LYS 65 lone 0 91 - 0 - HB2 ASP 34 - HB2 LYS 39 lone 0 87 - 0 - HB2 ASN 33 - HB2 LYS 123 lone 0 88 - 0 - HB2 ASP 34 - HB3 LYS 123 lone 0 55 - 1 - HB2 ASN 10 - HB2 LYS 123 lone 0 87 - 0 - HB2 ASN 10 - HB2 LYS 39 lone 0 86 - 0 - HB3 ASN 88 - HB2 LYS 123 lone 0 86 - 0 - HB3 ASN 88 - HB2 LYS 39 lone 0 86 - 0 - HB2 ASP 86 - HB2 LYS 115 lone 0 65 - 0 - HB2 ASP 86 - HB3 LYS 115 lone 0 58 - 1 - HB2 ASN 8 - HB2 LYS 123 lone 0 51 - 1 - HB2 ASP 86 - HB3 LYS 65 lone 0 57 - 0 - HB2 ASP 86 - HB2 LYS 65 lone 0 55 - 0 - HB2 ASN 33 - HB3 LYS 123 lone 0 55 - 0 - HB2 ASN 8 - HB2 LYS 39 lone 0 51 - 0 - HB2 ASN 10 - HB3 LYS 123 lone 0 54 - 0 - HB3 ASN 88 - HB3 LYS 123 lone 0 53 - 0 - HB2 ASP 86 - HB2 LYS 39 lone 0 51 - 0 - HB2 ASP 86 - HB2 LYS 123 lone 0 51 - 0 - HB2 ASN 8 - HB3 LYS 123 lone 0 29 - 0 - HB2 ASP 86 - HB3 LYS 123 lone 0 29 - 0 - Peak 6718 from cnoeabs.peaks (2.91, 1.93, 32.18 ppm; 3.79 A): 14 out of 98 assignments used, quality = 1.00: HE2 LYS 115 + HB2 LYS 115 OK 88 100 - 88 - 4.8=49, 6774/3.0=10...(58) * HE3 LYS 115 + HB2 LYS 115 OK 88 100 - 88 - 4.8=49, 6774/3.0=10...(58) HE2 LYS 115 + HB3 LYS 115 OK 84 96 - 88 - 4.8=49, 6784/3.0=10...(58) HE3 LYS 115 + HB3 LYS 115 OK 84 96 - 88 - 4.8=49, 6784/3.0=10...(58) HE3 LYS 65 + HB3 LYS 65 OK 82 89 - 92 - 4.8=51, 4868/2.9=8...(77) HE2 LYS 65 + HB3 LYS 65 OK 82 89 - 92 - 4.8=51, 4868/2.9=8...(77) HE3 LYS 65 + HB2 LYS 65 OK 79 86 - 92 - 4.8=51, 4868/2.9=8...(77) HE2 LYS 65 + HB2 LYS 65 OK 79 86 - 92 - 4.8=51, 4868/2.9=8...(77) HE3 LYS 115 + HB3 LYS 65 OK 59 94 - 63 - 4878/2.9=4, 4831/2.9=3...(44) HE2 LYS 115 + HB3 LYS 65 OK 59 94 - 63 - 4878/2.9=4, 4831/2.9=3...(44) HE3 LYS 115 + HB2 LYS 65 OK 58 92 - 63 - 4878/2.9=4, 4831/2.9=3...(44) HE2 LYS 115 + HB2 LYS 65 OK 58 92 - 63 - 4878/2.9=4, 4831/2.9=3...(44) HE3 LYS 65 + HB2 LYS 115 OK 47 97 - 48 - 6774/3.0=4, ~6784=2...(24) HE2 LYS 65 + HB2 LYS 115 OK 47 97 - 48 - 6774/3.0=4, ~6784=2...(24) HE3 LYS 65 - HB3 LYS 115 OK 44 90 - 49 - 6784/3.0=4, ~6784=2...(24) HE2 LYS 65 - HB3 LYS 115 OK 44 90 - 49 - 6784/3.0=4, ~6784=2...(24) HE2 LYS 16 - HB2 LYS 115 lone 10 100 - 9 - HE3 LYS 16 - HB2 LYS 115 lone 10 100 - 9 - HE2 LYS 16 - HB3 LYS 115 lone 9 96 - 9 - HE3 LYS 16 - HB3 LYS 115 lone 9 96 - 9 - HE3 LYS 16 - HB3 LYS 65 lone 8 94 - 8 - HE2 LYS 16 - HB3 LYS 65 lone 8 94 - 8 - HE3 LYS 16 - HB2 LYS 65 lone 7 92 - 8 - HE2 LYS 16 - HB2 LYS 65 lone 7 92 - 8 - HE3 LYS 17 - HB2 LYS 115 lone 7 94 - 7 - 1.8/2883=1, 2.9/2863=1 HE3 LYS 17 - HB3 LYS 115 lone 6 87 - 7 - 1.8/2883=1 HE3 LYS 94 - HB2 LYS 65 lone 6 85 - 7 - HE3 LYS 94 - HB3 LYS 65 lone 6 87 - 6 - HE3 LYS 16 - HB2 LYS 39 lone 5 87 - 6 - HE2 LYS 16 - HB2 LYS 39 lone 5 87 - 6 - HE3 LYS 17 - HB2 LYS 123 lone 4 78 - 5 - HE2 LYS 16 - HB2 LYS 123 lone 4 88 - 4 - HE3 LYS 16 - HB2 LYS 123 lone 4 88 - 4 - HE2 LYS 115 - HB2 LYS 123 lone 3 88 - 4 - HE3 LYS 115 - HB2 LYS 123 lone 3 88 - 4 - HE3 LYS 94 - HB3 LYS 115 lone 3 89 - 3 - HE2 LYS 65 - HB2 LYS 123 lone 3 82 - 4 - HE3 LYS 65 - HB2 LYS 123 lone 3 82 - 4 - HE3 LYS 17 - HB3 LYS 65 lone 3 85 - 3 - HE3 LYS 94 - HB2 LYS 115 lone 3 96 - 3 - HE3 LYS 17 - HB2 LYS 65 lone 3 83 - 3 - HE3 LYS 94 - HB2 LYS 123 lone 3 80 - 3 - HE2 LYS 16 - HB3 LYS 123 lone 3 55 - 5 - HE3 LYS 16 - HB3 LYS 123 lone 3 55 - 5 - HE3 LYS 115 - HB3 LYS 123 lone 2 55 - 4 - HE2 LYS 115 - HB3 LYS 123 lone 2 55 - 4 - HE3 LYS 17 - HB3 LYS 123 lone 2 47 - 5 - HE2 LYS 65 - HB3 LYS 123 lone 2 50 - 4 - HE3 LYS 65 - HB3 LYS 123 lone 2 50 - 4 - HB2 ASN 8 - HB3 LYS 65 lone 2 57 - 3 - 38/4.0=2 HB2 ASN 8 - HB2 LYS 65 lone 2 55 - 3 - 38/4.0=2 HE3 LYS 94 - HB2 LYS 39 lone 2 80 - 2 - HE2 LYS 115 - HB2 LYS 39 lone 1 87 - 1 - HE3 LYS 115 - HB2 LYS 39 lone 1 87 - 1 - HE3 LYS 94 - HB3 LYS 123 lone 1 49 - 3 - HE3 LYS 65 - HB2 LYS 39 lone 1 82 - 1 - HE2 LYS 65 - HB2 LYS 39 lone 1 82 - 1 - HE3 LYS 17 - HB2 LYS 39 lone 1 78 - 1 - HB2 ASN 33 - HB2 LYS 115 lone 1 100 - 1 - HB2 ASN 33 - HB3 LYS 115 lone 1 96 - 1 - HB2 ASP 34 - HB2 LYS 115 lone 1 100 - 1 - HB2 ASP 34 - HB2 LYS 123 lone 1 88 - 1 - HB2 ASP 34 - HB3 LYS 115 lone 1 96 - 1 - HB2 ASN 8 - HB2 LYS 115 lone 1 65 - 1 - HB2 ASP 34 - HB3 LYS 65 lone 1 94 - 1 - HB2 ASP 34 - HB2 LYS 65 lone 1 92 - 1 - HB2 ASN 33 - HB3 LYS 65 lone 1 94 - 1 - HB3 ASN 88 - HB3 LYS 65 lone 1 92 - 1 - HB2 ASN 33 - HB2 LYS 65 lone 1 92 - 1 - HB3 ASN 88 - HB2 LYS 65 lone 1 90 - 1 - HB2 ASN 8 - HB3 LYS 115 lone 1 58 - 1 - HB3 ASN 88 - HB2 LYS 115 lone 1 99 - 1 - HB2 ASN 10 - HB2 LYS 115 lone 1 100 - 1 - HB3 ASN 88 - HB3 LYS 115 lone 0 94 - 1 - HB2 ASN 10 - HB3 LYS 115 lone 0 95 - 1 - HB2 ASN 33 - HB2 LYS 39 lone 0 87 - 1 - HB2 ASN 10 - HB3 LYS 65 lone 0 93 - 0 - HB2 ASN 10 - HB2 LYS 65 lone 0 91 - 0 - HB2 ASP 34 - HB2 LYS 39 lone 0 87 - 0 - HB2 ASN 33 - HB2 LYS 123 lone 0 88 - 0 - HB2 ASP 34 - HB3 LYS 123 lone 0 55 - 1 - HB2 ASN 10 - HB2 LYS 123 lone 0 87 - 0 - HB2 ASN 10 - HB2 LYS 39 lone 0 86 - 0 - HB3 ASN 88 - HB2 LYS 123 lone 0 86 - 0 - HB3 ASN 88 - HB2 LYS 39 lone 0 86 - 0 - HB2 ASP 86 - HB2 LYS 115 lone 0 65 - 0 - HB2 ASP 86 - HB3 LYS 115 lone 0 58 - 1 - HB2 ASN 8 - HB2 LYS 123 lone 0 51 - 1 - HB2 ASP 86 - HB3 LYS 65 lone 0 57 - 0 - HB2 ASP 86 - HB2 LYS 65 lone 0 55 - 0 - HB2 ASN 33 - HB3 LYS 123 lone 0 55 - 0 - HB2 ASN 8 - HB2 LYS 39 lone 0 51 - 0 - HB2 ASN 10 - HB3 LYS 123 lone 0 54 - 0 - HB3 ASN 88 - HB3 LYS 123 lone 0 53 - 0 - HB2 ASP 86 - HB2 LYS 39 lone 0 51 - 0 - HB2 ASP 86 - HB2 LYS 123 lone 0 51 - 0 - HB2 ASN 8 - HB3 LYS 123 lone 0 29 - 0 - HB2 ASP 86 - HB3 LYS 123 lone 0 29 - 0 - Peak 6719 from cnoeabs.peaks (7.62, 1.93, 32.18 ppm; 3.13 A): 3 out of 88 assignments used, quality = 0.97: * H LYS 115 + HB3 LYS 115 OK 79 100 - 79 - 4.0=47, 1754/3.0=13...(17) H LYS 115 + HB2 LYS 115 OK 76 96 - 79 - 4.0=47, 1754/3.0=13...(17) H LYS 115 + HB2 LYS 65 OK 41 98 - 42 - 1752=7, 1753/2.9=5...(14) H LYS 115 - HB3 LYS 65 OK 41 98 - 42 - 1752=7, 1753/2.9=5...(14) H LEU 64 - HB2 LYS 65 OK 23 90 - 26 - 2084/4.7=8, 1907/4.0=8...(7) H LEU 64 - HB3 LYS 65 OK 23 90 - 26 - 2084/4.7=8, 1907/4.0=8...(7) H GLU 69 - HB2 LYS 65 OK 12 88 - 13 - 8129/3.0=5, 391/4.0=2 H GLU 69 - HB3 LYS 65 OK 12 88 - 13 - 8129/3.0=5, 391/4.0=2 H GLU 69 - HB2 LYS 123 poor 10 83 - 12 - 2107/2.9=3, 425/2.9=2...(5) H GLN 100 - HB3 LYS 115 lone 8 98 - 8 - 6739/3.0=2, 725/4.4=1 H GLN 100 - HB2 LYS 115 lone 8 92 - 8 - 6739/3.0=2, 725/4.4=1 H LEU 64 - HB3 LYS 115 lone 7 94 - 8 - 725/4.4=1, 4.6/1424=1 H LEU 64 - HB2 LYS 115 lone 7 87 - 8 - 725/4.4=1, 4.6/1424=1 H LYS 16 - HB3 LYS 40 poor 5 39 - 14 - 1106/2.7=4, 1983/3.0=3...(7) H LYS 115 - HB2 LYS 123 lone 4 95 - 5 - HE21 GLN 85 - HB2 LYS 65 lone 4 94 - 4 - HE21 GLN 85 - HB3 LYS 65 lone 4 93 - 4 - H GLU 69 - HB3 LYS 115 lone 3 92 - 4 - H GLU 69 - HB2 LYS 115 lone 3 84 - 4 - H GLN 100 - HB2 LYS 65 lone 3 95 - 3 - H GLN 100 - HB3 LYS 65 lone 3 95 - 3 - HE21 GLN 85 - HB3 LYS 115 lone 2 97 - 3 - H LYS 16 - HB3 LYS 115 lone 2 84 - 3 - HE21 GLN 85 - HB2 LYS 115 lone 2 90 - 3 - H LYS 16 - HB2 LYS 115 lone 2 76 - 3 - H LYS 16 - HB2 LYS 123 lone 2 75 - 3 - H ASP 34 - HB3 LYS 115 lone 2 100 - 2 - H ASP 34 - HB2 LYS 65 lone 2 98 - 2 - H ASP 34 - HB3 LYS 65 lone 2 98 - 2 - H ASP 34 - HB2 LYS 115 lone 2 96 - 2 - H LEU 74 - HB3 LYS 115 lone 2 96 - 2 - H LEU 74 - HB2 LYS 115 lone 2 89 - 2 - H ALA 46 - HB2 LYS 65 lone 2 54 - 3 - H ALA 46 - HB3 LYS 65 lone 2 54 - 3 - H LEU 74 - HB2 LYS 123 lone 1 88 - 2 - H GLU 69 - HB3 LYS 40 lone 1 45 - 3 - H LEU 64 - HB2 LYS 123 lone 1 86 - 2 - H LEU 64 - HB2 LYS 39 lone 1 85 - 2 - H LEU 74 - HB2 LYS 65 lone 1 92 - 1 - H LEU 74 - HB3 LYS 65 lone 1 92 - 1 - H ALA 46 - HB2 LYS 123 lone 1 50 - 2 - H LYS 16 - HB2 LYS 39 lone 1 75 - 1 - H LYS 115 - HB2 LYS 39 lone 1 95 - 1 - HE ARG 105 - HB3 LYS 115 lone 1 65 - 2 - H LEU 74 - HB2 LYS 39 lone 1 87 - 1 - H LYS 16 - HB2 LYS 65 lone 1 80 - 1 - H LYS 16 - HB3 LYS 65 lone 1 79 - 1 - HE21 GLN 85 - HB2 LYS 123 lone 1 89 - 1 - H GLU 69 - HB2 LYS 39 lone 1 83 - 1 - HD21 ASN 50 - HB2 LYS 65 lone 1 69 - 1 - HD21 ASN 50 - HB3 LYS 65 lone 1 69 - 1 - H GLN 100 - HB2 LYS 123 lone 1 91 - 1 - HE ARG 105 - HB2 LYS 115 lone 1 58 - 1 - H LEU 74 - HB3 LYS 40 lone 1 48 - 2 - HD21 ASN 50 - HB3 LYS 115 lone 1 73 - 1 - HD21 ASN 50 - HB2 LYS 115 lone 1 66 - 1 - H LYS 115 - HB3 LYS 40 lone 1 54 - 1 - H ALA 46 - HB3 LYS 115 lone 1 57 - 1 - H GLN 100 - HB2 LYS 39 lone 1 91 - 1 - H LYS 115 - HB3 LYS 39 lone 1 55 - 1 - H LYS 16 - HB3 LYS 39 lone 1 40 - 1 - H LEU 74 - HB3 LYS 39 lone 1 49 - 1 - H ALA 46 - HB2 LYS 115 lone 0 51 - 1 - H ASP 34 - HB2 LYS 123 lone 0 95 - 0 - H ASP 34 - HB2 LYS 39 lone 0 94 - 0 - H LEU 64 - HB3 LYS 39 lone 0 47 - 1 - H GLU 69 - HB3 LYS 39 lone 0 45 - 1 - HE21 GLN 85 - HB2 LYS 39 lone 0 89 - 0 - HE ARG 105 - HB2 LYS 65 lone 0 62 - 1 - HE ARG 105 - HB3 LYS 65 lone 0 61 - 1 - HE ARG 105 - HB2 LYS 123 lone 0 58 - 0 - H GLN 100 - HB3 LYS 40 lone 0 50 - 1 - H GLN 100 - HB3 LYS 39 lone 0 51 - 0 - H ALA 46 - HB2 LYS 39 lone 0 50 - 0 - H ASP 34 - HB3 LYS 40 lone 0 54 - 0 - H LEU 64 - HB3 LYS 40 lone 0 46 - 0 - HE ARG 105 - HB2 LYS 39 lone 0 57 - 0 - HD21 ASN 50 - HB2 LYS 123 lone 0 65 - 0 - H ALA 46 - HB3 LYS 40 lone 0 24 - 1 - HD21 ASN 50 - HB2 LYS 39 lone 0 65 - 0 - H ASP 34 - HB3 LYS 39 lone 0 55 - 0 - HE21 GLN 85 - HB3 LYS 39 lone 0 50 - 0 - HE21 GLN 85 - HB3 LYS 40 lone 0 49 - 0 - HE ARG 105 - HB3 LYS 40 lone 0 28 - 0 - HE ARG 105 - HB3 LYS 39 lone 0 29 - 0 - HD21 ASN 50 - HB3 LYS 39 lone 0 33 - 0 - HD21 ASN 50 - HB3 LYS 40 lone 0 33 - 0 - H ALA 46 - HB3 LYS 39 lone 0 25 - 0 - Peak 6720 from cnoeabs.peaks (3.80, 1.93, 32.18 ppm; 3.11 A): 4 out of 4 assignments used, quality = 1.00: * HA LYS 115 + HB3 LYS 115 OK 100 100 - 100 - 3.0=100 HA LYS 115 + HB2 LYS 115 OK 96 96 - 100 - 3.0=100 HA LYS 65 + HB2 LYS 65 OK 95 95 - 100 - 3.0=100 HA LYS 65 + HB3 LYS 65 OK 95 95 - 100 - 3.0=100 Peak 6721 from cnoeabs.peaks (1.93, 1.93, 32.18 ppm; diagonal): 6 out of 7 assignments used, quality = 1.00: HB3 LYS 115 + HB3 LYS 115 OK 98 98 - 100 HB3 LYS 65 + HB3 LYS 65 OK 96 96 - 100 HB2 LYS 115 + HB2 LYS 115 OK 96 96 - 100 HB2 LYS 65 + HB2 LYS 65 OK 95 95 - 100 HB2 LYS 123 + HB2 LYS 123 OK 91 91 - 100 HB2 LYS 39 + HB2 LYS 39 OK 91 91 - 100 HB3 LYS 40 - HB3 LYS 40 OK 31 31 - 100 Reference assignment not found: HB2 LYS 115 - HB3 LYS 115 Peak 6722 from cnoeabs.peaks (1.93, 1.93, 32.18 ppm; diagonal): 6 out of 8 assignments used, quality = 1.00: * HB3 LYS 115 + HB3 LYS 115 OK 100 100 - 100 HB2 LYS 65 + HB2 LYS 65 OK 98 98 - 100 HB3 LYS 65 + HB3 LYS 65 OK 98 98 - 100 HB2 LYS 123 + HB2 LYS 123 OK 95 95 - 100 HB2 LYS 39 + HB2 LYS 39 OK 95 95 - 100 HB2 LYS 115 + HB2 LYS 115 OK 92 92 - 100 HB3 LYS 40 - HB3 LYS 40 OK 43 43 - 100 HB3 LYS 39 - HB3 LYS 39 OK 38 38 - 100 Peak 6723 from cnoeabs.peaks (1.56, 1.93, 32.18 ppm; 2.83 A): 5 out of 88 assignments used, quality = 1.00: * HG2 LYS 115 + HB3 LYS 115 OK 95 100 - 95 - 3.0=89, 6703/3.0=10...(18) HG2 LYS 115 + HB2 LYS 115 OK 90 96 - 95 - 3.0=89, 6703/3.0=10...(18) HG2 LYS 65 + HB2 LYS 65 OK 80 83 - 97 - 2.9=93, 4797/3.0=8...(20) HG2 LYS 65 + HB3 LYS 65 OK 80 83 - 97 - 2.9=93, 4797/3.0=8...(20) HG2 LYS 123 + HB2 LYS 123 OK 69 72 - 97 - 2.9=90, 2.9/7083=10...(30) HG2 LYS 115 - HB2 LYS 65 OK 33 98 - 34 - 4797/3.0=3, 6732=3...(11) HG2 LYS 115 - HB3 LYS 65 OK 33 98 - 34 - 4797/3.0=3, 6732=3...(11) HG2 LYS 65 - HB3 LYS 115 OK 25 87 - 29 - 6703/3.0=4, 1753/4.0=3...(7) HG2 LYS 65 - HB2 LYS 115 OK 23 79 - 29 - 6703/3.0=4, 1753/4.0=3...(7) HG2 LYS 123 - HB2 LYS 65 OK 10 76 - 14 - 2.9/7129=2, 2.9/7119=2 HG2 LYS 123 - HB3 LYS 65 poor 10 76 - 13 - 2.9/7129=2, 2.9/7119=2, ~7129=1 HG3 LYS 96 - HB2 LYS 39 poor 9 85 - 11 - 6111/4.3=2, 7799/4.0=2 HG2 LYS 123 - HB3 LYS 115 poor 9 81 - 11 - 2.9/7129=2, 2.9/7119=1 HG2 LYS 123 - HB2 LYS 39 poor 8 72 - 12 - 2.9/7129=2, 2.9/7119=2 HG2 LYS 123 - HB2 LYS 115 poor 7 73 - 10 - 2.9/7129=1, 2.9/7119=1 HG3 LYS 96 - HB3 LYS 40 poor 6 46 - 13 - 6111/4.0=2, 4.0/8045=2, 6732=1 HG12 ILE 3 - HB2 LYS 123 lone 5 95 - 5 - ~10654=2, 2.1/10654=2, ~9015=1 HB3 LEU 70 - HB2 LYS 123 lone 5 86 - 6 - 4.5/436=1 HG3 LYS 96 - HB3 LYS 39 poor 5 47 - 10 - 6111/4.3=2, 7799/4.0=2 HG2 LYS 123 - HB3 LYS 39 poor 4 38 - 11 - 2.9/7129=2, 2.9/7119=2 HG2 LYS 115 - HB2 LYS 123 lone 4 95 - 4 - HB3 LEU 70 - HB2 LYS 65 lone 4 90 - 4 - HB3 LEU 70 - HB3 LYS 65 lone 4 90 - 4 - HG3 LYS 96 - HB2 LYS 123 lone 4 86 - 4 - HG12 ILE 3 - HB3 LYS 115 lone 3 100 - 3 - HG12 ILE 3 - HB2 LYS 115 lone 3 96 - 3 - HB3 LEU 70 - HB3 LYS 115 lone 3 94 - 3 - HG12 ILE 3 - HB2 LYS 65 lone 2 98 - 2 - HG12 ILE 3 - HB3 LYS 65 lone 2 98 - 2 - HG2 LYS 65 - HB2 LYS 123 lone 2 78 - 3 - HG3 LYS 96 - HB3 LYS 115 lone 2 94 - 2 - HB3 LEU 70 - HB2 LYS 115 lone 2 87 - 2 - QB ALA 46 - HB2 LYS 65 lone 2 85 - 2 - QB ALA 46 - HB3 LYS 65 lone 2 85 - 2 - HG3 LYS 96 - HB2 LYS 115 lone 2 87 - 2 - HG3 LYS 96 - HB2 LYS 65 lone 2 90 - 2 - HG3 LYS 96 - HB3 LYS 65 lone 2 90 - 2 - HD2 LYS 106 - HB3 LYS 115 lone 1 100 - 1 - HD3 LYS 106 - HB3 LYS 115 lone 1 100 - 1 - HD2 LYS 106 - HB2 LYS 115 lone 1 96 - 1 - HD3 LYS 106 - HB2 LYS 115 lone 1 96 - 1 - HG LEU 55 - HB3 LYS 115 lone 1 99 - 1 - HB VAL 78 - HB2 LYS 65 lone 1 97 - 1 - HB VAL 78 - HB3 LYS 65 lone 1 97 - 1 - HG LEU 55 - HB2 LYS 115 lone 1 93 - 1 - HB VAL 78 - HB2 LYS 39 lone 1 93 - 1 - HG2 LYS 115 - HB2 LYS 39 lone 1 95 - 1 - HB VAL 78 - HB3 LYS 115 lone 1 99 - 1 - QB ALA 46 - HB3 LYS 115 lone 1 90 - 1 - HB VAL 78 - HB2 LYS 115 lone 1 94 - 1 - QB ALA 46 - HB2 LYS 123 lone 1 81 - 1 - QB ALA 46 - HB2 LYS 115 lone 1 82 - 1 - HD2 LYS 106 - HB2 LYS 65 lone 1 98 - 1 - HD2 LYS 106 - HB3 LYS 65 lone 1 98 - 1 - HG2 LYS 123 - HB3 LYS 40 lone 1 37 - 2 - HD3 LYS 106 - HB2 LYS 65 lone 1 98 - 1 - HD3 LYS 106 - HB3 LYS 65 lone 1 98 - 1 - HB VAL 78 - HB2 LYS 123 lone 1 93 - 1 - HB3 LEU 70 - HB2 LYS 39 lone 1 85 - 1 - HG LEU 55 - HB2 LYS 65 lone 1 96 - 1 - HG LEU 55 - HB3 LYS 65 lone 1 96 - 1 - HG2 LYS 115 - HB3 LYS 40 lone 1 54 - 1 - HD2 LYS 106 - HB2 LYS 39 lone 1 95 - 1 - HD3 LYS 106 - HB2 LYS 39 lone 1 94 - 1 - HG2 LYS 65 - HB2 LYS 39 lone 1 78 - 1 - HG2 LYS 115 - HB3 LYS 39 lone 1 55 - 1 - HG12 ILE 3 - HB2 LYS 39 lone 0 95 - 0 - HG LEU 55 - HB2 LYS 123 lone 0 92 - 0 - HD3 LYS 106 - HB2 LYS 123 lone 0 95 - 0 - HD2 LYS 106 - HB2 LYS 123 lone 0 95 - 0 - HB VAL 78 - HB3 LYS 39 lone 0 53 - 1 - HG LEU 55 - HB2 LYS 39 lone 0 92 - 0 - QB ALA 46 - HB2 LYS 39 lone 0 81 - 0 - HG12 ILE 3 - HB3 LYS 40 lone 0 54 - 1 - HG LEU 55 - HB3 LYS 40 lone 0 51 - 1 - HD2 LYS 106 - HB3 LYS 39 lone 0 55 - 1 - HD3 LYS 106 - HB3 LYS 39 lone 0 55 - 1 - HB3 LEU 70 - HB3 LYS 39 lone 0 47 - 1 - HD2 LYS 106 - HB3 LYS 40 lone 0 54 - 0 - HD3 LYS 106 - HB3 LYS 40 lone 0 54 - 0 - HB3 LEU 70 - HB3 LYS 40 lone 0 46 - 1 - HG2 LYS 65 - HB3 LYS 39 lone 0 42 - 1 - HG12 ILE 3 - HB3 LYS 39 lone 0 55 - 0 - HG2 LYS 65 - HB3 LYS 40 lone 0 41 - 1 - QB ALA 46 - HB3 LYS 40 lone 0 43 - 0 - HG LEU 55 - HB3 LYS 39 lone 0 52 - 0 - HB VAL 78 - HB3 LYS 40 lone 0 52 - 0 - QB ALA 46 - HB3 LYS 39 lone 0 44 - 0 - Peak 6724 from cnoeabs.peaks (1.30, 1.93, 32.18 ppm; 3.68 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 115 + HB3 LYS 115 OK 100 100 - 100 - 3.0=100 HG3 LYS 115 + HB2 LYS 115 OK 96 96 - 100 - 3.0=100 Peak 6725 from cnoeabs.peaks (1.66, 1.93, 32.18 ppm; 2.64 A): 8 out of 104 assignments used, quality = 1.00: HD2 LYS 65 + HB2 LYS 65 OK 80 98 - 81 - 3.4=47, 4839/2.9=6...(44) HD2 LYS 65 + HB3 LYS 65 OK 79 98 - 81 - 3.4=47, 4839/2.9=6...(44) HD3 LYS 65 + HB2 LYS 65 OK 78 96 - 81 - 3.4=47, 4839/2.9=6...(46) HD3 LYS 65 + HB3 LYS 65 OK 78 96 - 81 - 3.4=47, 4839/2.9=6...(46) HD3 LYS 115 + HB3 LYS 115 OK 71 100 - 72 - 3.7=36, 6736/3.0=4...(43) * HD2 LYS 115 + HB3 LYS 115 OK 71 100 - 71 - 3.7=36, 6736/3.0=4...(41) HD2 LYS 115 + HB2 LYS 115 OK 68 96 - 71 - 3.7=36, 6736/3.0=4...(41) HD3 LYS 115 + HB2 LYS 115 OK 68 95 - 72 - 3.7=36, 6736/3.0=4...(43) HD2 LYS 115 - HB2 LYS 65 OK 41 98 - 43 - 4839/2.9=3, 4799/3.0=2...(15) HD3 LYS 115 - HB2 LYS 65 OK 41 97 - 43 - 4839/2.9=3, 4799/3.0=2...(15) HD2 LYS 115 - HB3 LYS 65 OK 41 98 - 42 - 4839/2.9=3, 4799/3.0=2...(15) HD3 LYS 115 - HB3 LYS 65 OK 41 97 - 43 - 4839/2.9=3, 4799/3.0=2...(15) HD2 LYS 65 - HB3 LYS 115 OK 32 100 - 32 - 6706/3.0=2, 4855=1...(9) HD3 LYS 65 - HB3 LYS 115 OK 32 99 - 32 - 6705/3.0=2, 4855=1...(8) HD2 LYS 65 - HB2 LYS 115 OK 30 95 - 32 - 6706/3.0=2, 4846=1...(9) HD3 LYS 65 - HB2 LYS 115 OK 30 93 - 32 - 6705/3.0=2, 4856=1...(8) HG LEU 114 - HB3 LYS 115 OK 10 99 - 10 - 7884/4.0=2, 6705/3.0=2...(4) HG LEU 114 - HB2 LYS 115 poor 9 93 - 10 - 7884/4.0=2, 6705/3.0=2...(4) HG LEU 64 - HB2 LYS 65 lone 7 76 - 9 - ~10805=2, 7619/4.0=1, 4800/3.0=1 HG LEU 64 - HB3 LYS 65 lone 7 76 - 9 - ~10805=2, 7619/4.0=1, 4800/3.0=1 HG LEU 114 - HB2 LYS 65 lone 6 96 - 6 - ~8127=1 HG LEU 114 - HB3 LYS 65 lone 6 96 - 6 - ~8127=1 HG LEU 64 - HB3 LYS 115 lone 6 81 - 7 - ~10452=1 HG LEU 64 - HB2 LYS 115 lone 5 73 - 7 - ~10452=1 HD3 LYS 49 - HB2 LYS 123 lone 4 94 - 4 - HD2 LYS 49 - HB2 LYS 123 lone 4 94 - 4 - HG LEU 90 - HB3 LYS 65 lone 3 65 - 5 - ~10981=2 HG LEU 90 - HB2 LYS 65 lone 3 66 - 5 - ~10981=2 HD2 LYS 65 - HB2 LYS 123 lone 2 94 - 3 - HD3 LYS 65 - HB2 LYS 123 lone 2 92 - 3 - HD2 LYS 115 - HB2 LYS 123 lone 2 95 - 2 - HD3 LYS 115 - HB2 LYS 123 lone 2 94 - 2 - HG LEU 90 - HB2 LYS 39 lone 1 61 - 2 - HD3 LYS 49 - HB2 LYS 65 lone 1 97 - 1 - HD2 LYS 49 - HB2 LYS 65 lone 1 97 - 1 - HG LEU 114 - HB2 LYS 123 lone 1 92 - 1 - HD2 LYS 49 - HB3 LYS 65 lone 1 97 - 1 - HD3 LYS 49 - HB3 LYS 65 lone 1 97 - 1 - HG3 ARG 95 - HB3 LYS 40 lone 1 26 - 4 - 7792/4.0=1 HG3 ARG 95 - HB2 LYS 123 lone 1 54 - 2 - HB ILE 5 - HB3 LYS 115 lone 1 92 - 1 - HD3 LYS 49 - HB3 LYS 115 lone 1 100 - 1 - HD2 LYS 49 - HB3 LYS 115 lone 1 100 - 1 - HB ILE 5 - HB2 LYS 115 lone 1 84 - 1 - HG3 ARG 95 - HB2 LYS 39 lone 1 54 - 1 - 7792/4.3=1 HD3 LYS 49 - HB2 LYS 115 lone 1 95 - 1 - HD2 LYS 49 - HB2 LYS 115 lone 1 95 - 1 - HB ILE 5 - HB2 LYS 65 lone 1 88 - 1 - HB ILE 5 - HB3 LYS 65 lone 1 88 - 1 - HG LEU 114 - HB2 LYS 39 lone 1 92 - 1 - HB ILE 5 - HB2 LYS 123 lone 1 83 - 1 - HG LEU 64 - HB2 LYS 123 lone 1 72 - 1 - HD2 LYS 115 - HB2 LYS 39 lone 1 95 - 1 - HG LEU 90 - HB2 LYS 123 lone 1 61 - 1 - HD3 LYS 115 - HB2 LYS 39 lone 1 94 - 1 - HD3 LYS 49 - HB2 LYS 39 lone 1 94 - 1 - HD2 LYS 49 - HB2 LYS 39 lone 1 94 - 1 - HG LEU 90 - HB3 LYS 39 lone 1 31 - 2 - HD2 LYS 65 - HB2 LYS 39 lone 1 94 - 1 - HD2 LYS 115 - HB3 LYS 40 lone 1 54 - 1 - HD3 LYS 65 - HB2 LYS 39 lone 1 92 - 1 - HD3 LYS 115 - HB3 LYS 40 lone 1 53 - 1 - HG LEU 64 - HB2 LYS 39 lone 1 72 - 1 - HG LEU 90 - HB3 LYS 115 lone 0 70 - 1 - HD2 LYS 65 - HB3 LYS 40 lone 0 53 - 1 - HD3 LYS 65 - HB3 LYS 40 lone 0 51 - 1 - HD2 LYS 115 - HB3 LYS 39 lone 0 55 - 1 - HG LEU 90 - HB2 LYS 115 lone 0 62 - 1 - HD3 LYS 115 - HB3 LYS 39 lone 0 54 - 1 - HD2 LYS 65 - HB3 LYS 39 lone 0 54 - 1 - HB2 ARG 30 - HB3 LYS 115 lone 0 100 - 0 - HB2 GLU 52 - HB2 LYS 65 lone 0 98 - 0 - HB2 ARG 30 - HB2 LYS 65 lone 0 98 - 0 - HB2 ARG 30 - HB3 LYS 65 lone 0 98 - 0 - HD3 LYS 65 - HB3 LYS 39 lone 0 52 - 1 - HB2 GLU 52 - HB3 LYS 65 lone 0 98 - 0 - HD2 LYS 49 - HB3 LYS 39 lone 0 54 - 1 - HD3 LYS 49 - HB3 LYS 39 lone 0 54 - 1 - HB2 ARG 30 - HB2 LYS 115 lone 0 95 - 0 - HB2 GLU 52 - HB3 LYS 115 lone 0 100 - 0 - HG3 ARG 95 - HB3 LYS 39 lone 0 27 - 1 - 7792/4.3=1 HB ILE 5 - HB2 LYS 39 lone 0 83 - 0 - HB2 GLU 52 - HB2 LYS 123 lone 0 95 - 0 - HG LEU 114 - HB3 LYS 39 lone 0 52 - 1 - HB2 GLU 52 - HB2 LYS 115 lone 0 96 - 0 - HG LEU 114 - HB3 LYS 40 lone 0 51 - 1 - HG LEU 64 - HB3 LYS 39 lone 0 38 - 1 - HB2 GLU 52 - HB2 LYS 39 lone 0 95 - 0 - HB2 ARG 30 - HB2 LYS 123 lone 0 94 - 0 - HB2 ARG 30 - HB2 LYS 39 lone 0 94 - 0 - HB ILE 5 - HB3 LYS 40 lone 0 45 - 0 - HG LEU 90 - HB3 LYS 40 lone 0 31 - 1 - HG3 ARG 95 - HB3 LYS 115 lone 0 61 - 0 - HG3 ARG 95 - HB2 LYS 115 lone 0 55 - 0 - HB ILE 5 - HB3 LYS 39 lone 0 45 - 0 - HB2 GLU 52 - HB3 LYS 40 lone 0 54 - 0 - HB2 GLU 52 - HB3 LYS 39 lone 0 55 - 0 - HG3 ARG 95 - HB2 LYS 65 lone 0 58 - 0 - HG3 ARG 95 - HB3 LYS 65 lone 0 58 - 0 - HD2 LYS 49 - HB3 LYS 40 lone 0 53 - 0 - HD3 LYS 49 - HB3 LYS 40 lone 0 53 - 0 - HB2 ARG 30 - HB3 LYS 39 lone 0 54 - 0 - HG LEU 64 - HB3 LYS 40 lone 0 37 - 0 - HB2 ARG 30 - HB3 LYS 40 lone 0 53 - 0 - Peak 6726 from cnoeabs.peaks (1.66, 1.93, 32.18 ppm; 2.64 A): 8 out of 104 assignments used, quality = 1.00: HD2 LYS 65 + HB2 LYS 65 OK 78 96 - 81 - 3.4=47, 4839/2.9=6...(44) HD2 LYS 65 + HB3 LYS 65 OK 78 96 - 81 - 3.4=47, 4839/2.9=6...(44) HD3 LYS 65 + HB2 LYS 65 OK 75 92 - 81 - 3.4=47, 4839/2.9=6...(46) HD3 LYS 65 + HB3 LYS 65 OK 75 92 - 81 - 3.4=47, 4839/2.9=6...(46) * HD3 LYS 115 + HB3 LYS 115 OK 72 100 - 72 - 3.7=36, 6736/3.0=4...(43) HD2 LYS 115 + HB3 LYS 115 OK 71 100 - 71 - 3.7=36, 6736/3.0=4...(41) HD3 LYS 115 + HB2 LYS 115 OK 68 96 - 72 - 3.7=36, 6736/3.0=4...(43) HD2 LYS 115 + HB2 LYS 115 OK 68 95 - 71 - 3.7=36, 6736/3.0=4...(41) HD3 LYS 115 - HB2 LYS 65 OK 42 98 - 43 - 4839/2.9=3, 4799/3.0=2...(15) HD3 LYS 115 - HB3 LYS 65 OK 42 98 - 43 - 4839/2.9=3, 4799/3.0=2...(15) HD2 LYS 115 - HB2 LYS 65 OK 41 97 - 42 - 4839/2.9=3, 4799/3.0=2...(15) HD2 LYS 115 - HB3 LYS 65 OK 41 97 - 42 - 4839/2.9=3, 4799/3.0=2...(15) HD2 LYS 65 - HB3 LYS 115 OK 31 99 - 32 - 6706/3.0=2, 6762=1...(9) HD3 LYS 65 - HB3 LYS 115 OK 30 96 - 32 - 6705/3.0=2, 4845=1...(8) HD2 LYS 65 - HB2 LYS 115 OK 29 93 - 32 - 6706/3.0=2, 6761=1...(8) HD3 LYS 65 - HB2 LYS 115 OK 28 89 - 32 - 6705/3.0=2, 4846=1...(7) HG LEU 114 - HB3 LYS 115 poor 10 96 - 10 - 7884/4.0=2, 6705/3.0=2...(4) HG LEU 114 - HB2 LYS 115 poor 9 89 - 10 - 7884/4.0=2, 6705/3.0=2...(4) HG LEU 114 - HB2 LYS 65 lone 6 92 - 6 - ~8127=1 HG LEU 114 - HB3 LYS 65 lone 6 92 - 6 - ~8127=1 HG LEU 64 - HB2 LYS 65 lone 6 66 - 9 - ~10805=2, 4800/3.0=1, 1429/4.0=1 HG LEU 64 - HB3 LYS 65 lone 6 65 - 9 - ~10805=2, 4800/3.0=1, 1429/4.0=1 HG LEU 64 - HB3 LYS 115 lone 5 70 - 7 - ~10452=1 HG LEU 64 - HB2 LYS 115 lone 4 62 - 7 - ~10452=1 HD2 LYS 43 - HB3 LYS 40 poor 4 26 - 16 - HD3 LYS 49 - HB2 LYS 123 lone 4 91 - 4 - HD2 LYS 49 - HB2 LYS 123 lone 4 91 - 4 - HD2 LYS 65 - HB2 LYS 123 lone 2 92 - 3 - HD3 LYS 65 - HB2 LYS 123 lone 2 88 - 3 - HD3 LYS 115 - HB2 LYS 123 lone 2 95 - 2 - HD2 LYS 115 - HB2 LYS 123 lone 2 94 - 2 - HD2 LYS 43 - HB2 LYS 39 lone 2 54 - 4 - HG3 ARG 95 - HB3 LYS 40 lone 1 33 - 4 - 7792/4.0=1 HD3 LYS 49 - HB2 LYS 65 lone 1 95 - 1 - HD2 LYS 49 - HB2 LYS 65 lone 1 95 - 1 - HG3 ARG 95 - HB2 LYS 123 lone 1 65 - 2 - HD2 LYS 49 - HB3 LYS 65 lone 1 95 - 1 - HD3 LYS 49 - HB3 LYS 65 lone 1 95 - 1 - HG LEU 114 - HB2 LYS 123 lone 1 88 - 1 - HG3 ARG 95 - HB2 LYS 39 lone 1 65 - 2 - 7792/4.3=1 HD2 LYS 43 - HB3 LYS 39 lone 1 27 - 4 - HD3 LYS 49 - HB3 LYS 115 lone 1 98 - 1 - HD2 LYS 49 - HB3 LYS 115 lone 1 98 - 1 - HB ILE 5 - HB3 LYS 115 lone 1 84 - 1 - HD3 LYS 49 - HB2 LYS 115 lone 1 92 - 1 - HD2 LYS 49 - HB2 LYS 115 lone 1 92 - 1 - HB ILE 5 - HB2 LYS 115 lone 1 76 - 1 - HG3 ARG 95 - HB2 LYS 65 lone 1 69 - 1 - HG LEU 114 - HB2 LYS 39 lone 1 87 - 1 - HG3 ARG 95 - HB3 LYS 65 lone 1 69 - 1 - HD3 LYS 115 - HB2 LYS 39 lone 1 95 - 1 - HD2 LYS 115 - HB2 LYS 39 lone 1 94 - 1 - HB ILE 5 - HB2 LYS 65 lone 1 80 - 1 - HB ILE 5 - HB3 LYS 65 lone 1 79 - 1 - HB ILE 5 - HB2 LYS 123 lone 1 75 - 1 - HD3 LYS 49 - HB2 LYS 39 lone 1 91 - 1 - HD2 LYS 49 - HB2 LYS 39 lone 1 91 - 1 - HD3 LYS 115 - HB3 LYS 40 lone 1 54 - 1 - HD2 LYS 65 - HB2 LYS 39 lone 1 92 - 1 - HD2 LYS 115 - HB3 LYS 40 lone 1 53 - 1 - HG LEU 64 - HB2 LYS 123 lone 1 61 - 1 - HD3 LYS 65 - HB2 LYS 39 lone 0 87 - 1 - HG3 ARG 95 - HB3 LYS 39 lone 1 33 - 2 - 7792/4.3=1 HG LEU 64 - HB2 LYS 39 lone 0 61 - 1 - HD2 LYS 65 - HB3 LYS 40 lone 0 51 - 1 - HD3 LYS 115 - HB3 LYS 39 lone 0 55 - 1 - HD2 LYS 115 - HB3 LYS 39 lone 0 54 - 1 - HD3 LYS 65 - HB3 LYS 40 lone 0 48 - 1 - HD2 LYS 43 - HB2 LYS 123 lone 0 54 - 1 - HB2 ARG 30 - HB3 LYS 115 lone 0 99 - 0 - HB2 GLU 52 - HB2 LYS 65 lone 0 97 - 0 - HB2 GLU 52 - HB3 LYS 65 lone 0 97 - 0 - HD2 LYS 65 - HB3 LYS 39 lone 0 52 - 1 - HB2 ARG 30 - HB2 LYS 65 lone 0 96 - 0 - HB2 ARG 30 - HB3 LYS 65 lone 0 96 - 0 - HB2 ARG 30 - HB2 LYS 115 lone 0 93 - 0 - HB2 GLU 52 - HB3 LYS 115 lone 0 100 - 0 - HD3 LYS 49 - HB3 LYS 39 lone 0 51 - 1 - HD2 LYS 49 - HB3 LYS 39 lone 0 51 - 1 - HD2 LYS 43 - HB3 LYS 115 lone 0 61 - 0 - HD2 LYS 43 - HB2 LYS 115 lone 0 55 - 1 - HD3 LYS 65 - HB3 LYS 39 lone 0 49 - 1 - HD2 LYS 43 - HB3 LYS 65 lone 0 58 - 0 - HD2 LYS 43 - HB2 LYS 65 lone 0 58 - 0 - HB ILE 5 - HB2 LYS 39 lone 0 75 - 0 - HB2 GLU 52 - HB2 LYS 123 lone 0 94 - 0 - HB2 GLU 52 - HB2 LYS 115 lone 0 95 - 0 - HG LEU 114 - HB3 LYS 39 lone 0 49 - 1 - HG3 ARG 95 - HB3 LYS 115 lone 0 73 - 0 - HG LEU 114 - HB3 LYS 40 lone 0 48 - 1 - HG3 ARG 95 - HB2 LYS 115 lone 0 66 - 0 - HB2 GLU 52 - HB2 LYS 39 lone 0 94 - 0 - HB2 ARG 30 - HB2 LYS 123 lone 0 92 - 0 - HB2 ARG 30 - HB2 LYS 39 lone 0 92 - 0 - HG LEU 64 - HB3 LYS 39 lone 0 31 - 1 - HB ILE 5 - HB3 LYS 40 lone 0 39 - 0 - HB ILE 5 - HB3 LYS 39 lone 0 40 - 0 - HB2 GLU 52 - HB3 LYS 40 lone 0 53 - 0 - HB2 GLU 52 - HB3 LYS 39 lone 0 54 - 0 - HD2 LYS 49 - HB3 LYS 40 lone 0 50 - 0 - HD3 LYS 49 - HB3 LYS 40 lone 0 50 - 0 - HB2 ARG 30 - HB3 LYS 39 lone 0 52 - 0 - HB2 ARG 30 - HB3 LYS 40 lone 0 51 - 0 - HG LEU 64 - HB3 LYS 40 lone 0 31 - 0 - Peak 6727 from cnoeabs.peaks (2.91, 1.93, 32.18 ppm; 3.96 A): 16 out of 112 assignments used, quality = 1.00: HE3 LYS 115 + HB3 LYS 115 OK 91 100 - 91 - 4.8=55, 6774/3.0=11...(58) * HE2 LYS 115 + HB3 LYS 115 OK 91 100 - 91 - 4.8=55, 6774/3.0=11...(58) HE3 LYS 65 + HB2 LYS 65 OK 88 94 - 94 - 4.8=58, 4878/2.9=9...(77) HE2 LYS 65 + HB2 LYS 65 OK 88 94 - 94 - 4.8=58, 4878/2.9=9...(77) HE3 LYS 65 + HB3 LYS 65 OK 88 93 - 94 - 4.8=58, 4878/2.9=9...(77) HE2 LYS 65 + HB3 LYS 65 OK 88 93 - 94 - 4.8=58, 4878/2.9=9...(77) HE3 LYS 115 + HB2 LYS 115 OK 87 96 - 91 - 4.8=55, 6784/3.0=11...(58) HE2 LYS 115 + HB2 LYS 115 OK 87 96 - 91 - 4.8=55, 6784/3.0=11...(58) HE3 LYS 115 + HB2 LYS 65 OK 65 98 - 67 - 4878/2.9=4, 4832/2.9=3...(63) HE2 LYS 115 + HB2 LYS 65 OK 65 98 - 67 - 4878/2.9=4, 4832/2.9=3...(63) HE3 LYS 115 + HB3 LYS 65 OK 65 98 - 67 - 4878/2.9=4, 4832/2.9=3...(62) HE2 LYS 115 + HB3 LYS 65 OK 65 98 - 67 - 4878/2.9=4, 4832/2.9=3...(62) HE2 LYS 65 + HB3 LYS 115 OK 50 97 - 52 - 6774/3.0=4, ~6784=2...(24) HE3 LYS 65 + HB3 LYS 115 OK 50 97 - 52 - 6774/3.0=4, ~6784=2...(24) HE2 LYS 65 + HB2 LYS 115 OK 46 90 - 52 - 6784/3.0=4, ~6784=2...(24) HE3 LYS 65 + HB2 LYS 115 OK 46 90 - 52 - 6784/3.0=4, ~6784=2...(24) HE3 LYS 16 - HB3 LYS 40 OK 29 54 - 55 - 2892/1.8=7, ~2892=5...(31) HE2 LYS 16 - HB3 LYS 40 OK 29 54 - 55 - 2892/1.8=7, ~2892=5...(31) HE2 LYS 16 - HB3 LYS 115 OK 10 100 - 10 - HE3 LYS 16 - HB3 LYS 115 OK 10 100 - 10 - HE3 LYS 16 - HB2 LYS 115 OK 10 96 - 10 - HE2 LYS 16 - HB2 LYS 115 OK 10 96 - 10 - HE3 LYS 16 - HB3 LYS 65 lone 9 98 - 9 - HE2 LYS 16 - HB3 LYS 65 lone 9 98 - 9 - HE3 LYS 16 - HB2 LYS 65 lone 9 98 - 9 - HE2 LYS 16 - HB2 LYS 65 lone 9 98 - 9 - HE3 LYS 94 - HB2 LYS 65 lone 7 92 - 7 - HE3 LYS 17 - HB3 LYS 115 lone 7 94 - 7 - ~2883=1, 1.8/2883=1 HE3 LYS 94 - HB3 LYS 65 lone 7 92 - 7 - HE3 LYS 17 - HB2 LYS 115 lone 6 87 - 7 - 1.8/2883=1 HE2 LYS 16 - HB2 LYS 39 lone 6 94 - 7 - HE3 LYS 16 - HB2 LYS 39 lone 6 94 - 7 - HE2 LYS 16 - HB2 LYS 123 lone 4 95 - 5 - HE3 LYS 16 - HB2 LYS 123 lone 4 95 - 5 - HE3 LYS 17 - HB2 LYS 123 lone 4 86 - 5 - HE2 LYS 115 - HB2 LYS 123 lone 4 95 - 4 - HE3 LYS 115 - HB2 LYS 123 lone 4 95 - 4 - HE3 LYS 17 - HB3 LYS 40 lone 4 46 - 9 - ~2882=2, ~2862=1, 2892/1.8=1 HE2 LYS 16 - HB3 LYS 39 lone 4 55 - 7 - HE3 LYS 16 - HB3 LYS 39 lone 4 55 - 7 - HE3 LYS 94 - HB3 LYS 115 lone 4 96 - 4 - HE3 LYS 65 - HB2 LYS 123 lone 3 89 - 4 - HE2 LYS 65 - HB2 LYS 123 lone 3 89 - 4 - HE3 LYS 94 - HB2 LYS 123 lone 3 88 - 4 - HE3 LYS 17 - HB3 LYS 65 lone 3 90 - 3 - HE3 LYS 17 - HB2 LYS 65 lone 3 90 - 3 - HE3 LYS 94 - HB2 LYS 115 lone 3 89 - 3 - HB2 ASN 8 - HB2 LYS 65 lone 2 62 - 3 - 38/4.0=2 HB2 ASN 8 - HB3 LYS 65 lone 2 61 - 3 - 38/4.0=2 HE3 LYS 94 - HB2 LYS 39 lone 2 87 - 2 - HE3 LYS 115 - HB2 LYS 39 lone 2 95 - 2 - HE2 LYS 115 - HB2 LYS 39 lone 2 95 - 2 - HE3 LYS 115 - HB3 LYS 40 lone 2 54 - 3 - HE2 LYS 115 - HB3 LYS 40 lone 2 54 - 3 - HE2 LYS 65 - HB2 LYS 39 lone 1 89 - 2 - HE3 LYS 65 - HB2 LYS 39 lone 1 89 - 2 - HE3 LYS 17 - HB2 LYS 39 lone 1 85 - 1 - HE3 LYS 94 - HB3 LYS 39 lone 1 49 - 2 - HE2 LYS 115 - HB3 LYS 39 lone 1 55 - 2 - HE3 LYS 115 - HB3 LYS 39 lone 1 55 - 2 - HB2 ASN 33 - HB3 LYS 115 lone 1 100 - 1 - HE3 LYS 94 - HB3 LYS 40 lone 1 48 - 2 - HB2 ASP 34 - HB2 LYS 123 lone 1 95 - 1 - HB2 ASN 33 - HB2 LYS 115 lone 1 96 - 1 - HE3 LYS 65 - HB3 LYS 40 lone 1 49 - 2 - HE2 LYS 65 - HB3 LYS 40 lone 1 49 - 2 - HE2 LYS 65 - HB3 LYS 39 lone 1 50 - 2 - HE3 LYS 65 - HB3 LYS 39 lone 1 50 - 2 - HB2 ASP 34 - HB3 LYS 115 lone 1 100 - 1 - HB2 ASP 34 - HB2 LYS 115 lone 1 96 - 1 - HB2 ASP 34 - HB2 LYS 65 lone 1 98 - 1 - HB2 ASP 34 - HB3 LYS 65 lone 1 98 - 1 - HB2 ASN 8 - HB3 LYS 115 lone 1 65 - 1 - HB2 ASN 33 - HB2 LYS 65 lone 1 98 - 1 - HB2 ASN 33 - HB3 LYS 65 lone 1 98 - 1 - HB3 ASN 88 - HB2 LYS 65 lone 1 97 - 1 - HB3 ASN 88 - HB3 LYS 65 lone 1 97 - 1 - HB2 ASN 8 - HB2 LYS 115 lone 1 58 - 1 - HB3 ASN 88 - HB3 LYS 115 lone 1 99 - 1 - HB2 ASN 33 - HB2 LYS 39 lone 1 94 - 1 - HB2 ASN 10 - HB3 LYS 115 lone 1 100 - 1 - HB3 ASN 88 - HB2 LYS 115 lone 1 94 - 1 - HB2 ASN 10 - HB2 LYS 65 lone 1 97 - 1 - HB2 ASN 10 - HB3 LYS 65 lone 1 97 - 1 - HB2 ASN 10 - HB2 LYS 115 lone 1 95 - 1 - HE3 LYS 17 - HB3 LYS 39 lone 1 47 - 1 - HB2 ASP 34 - HB2 LYS 39 lone 0 95 - 1 - HB2 ASN 33 - HB2 LYS 123 lone 0 95 - 1 - HB2 ASN 10 - HB2 LYS 123 lone 0 94 - 0 - HB2 ASN 10 - HB2 LYS 39 lone 0 94 - 0 - HB3 ASN 88 - HB2 LYS 123 lone 0 93 - 0 - HB3 ASN 88 - HB2 LYS 39 lone 0 93 - 0 - HB2 ASP 86 - HB3 LYS 115 lone 0 65 - 1 - HB2 ASN 8 - HB2 LYS 123 lone 0 58 - 1 - HB2 ASP 86 - HB2 LYS 115 lone 0 58 - 1 - HB2 ASP 86 - HB2 LYS 65 lone 0 62 - 1 - HB2 ASP 86 - HB3 LYS 65 lone 0 61 - 1 - HB2 ASN 33 - HB3 LYS 39 lone 0 55 - 1 - HB2 ASN 8 - HB2 LYS 39 lone 0 57 - 1 - HB2 ASP 86 - HB2 LYS 39 lone 0 57 - 0 - HB2 ASP 86 - HB2 LYS 123 lone 0 58 - 0 - HB2 ASP 34 - HB3 LYS 40 lone 0 54 - 1 - HB2 ASN 33 - HB3 LYS 40 lone 0 54 - 1 - HB2 ASP 34 - HB3 LYS 39 lone 0 55 - 0 - HB2 ASN 10 - HB3 LYS 40 lone 0 53 - 1 - HB3 ASN 88 - HB3 LYS 40 lone 0 52 - 1 - HB2 ASN 10 - HB3 LYS 39 lone 0 54 - 0 - HB3 ASN 88 - HB3 LYS 39 lone 0 53 - 0 - HB2 ASN 8 - HB3 LYS 40 lone 0 28 - 1 - HB2 ASN 8 - HB3 LYS 39 lone 0 29 - 1 - HB2 ASP 86 - HB3 LYS 39 lone 0 29 - 0 - HB2 ASP 86 - HB3 LYS 40 lone 0 28 - 1 - Peak 6728 from cnoeabs.peaks (2.91, 1.93, 32.18 ppm; 3.96 A): 16 out of 112 assignments used, quality = 1.00: * HE3 LYS 115 + HB3 LYS 115 OK 91 100 - 91 - 4.8=55, 6774/3.0=11...(58) HE2 LYS 115 + HB3 LYS 115 OK 91 100 - 91 - 4.8=55, 6774/3.0=11...(58) HE3 LYS 65 + HB2 LYS 65 OK 88 94 - 94 - 4.8=58, 4878/2.9=9...(77) HE2 LYS 65 + HB2 LYS 65 OK 88 94 - 94 - 4.8=58, 4878/2.9=9...(77) HE3 LYS 65 + HB3 LYS 65 OK 88 93 - 94 - 4.8=58, 4878/2.9=9...(77) HE2 LYS 65 + HB3 LYS 65 OK 88 93 - 94 - 4.8=58, 4878/2.9=9...(77) HE3 LYS 115 + HB2 LYS 115 OK 87 96 - 91 - 4.8=55, 6784/3.0=11...(58) HE2 LYS 115 + HB2 LYS 115 OK 87 96 - 91 - 4.8=55, 6784/3.0=11...(58) HE3 LYS 115 + HB2 LYS 65 OK 65 98 - 67 - 4878/2.9=4, 4832/2.9=3...(63) HE2 LYS 115 + HB2 LYS 65 OK 65 98 - 67 - 4878/2.9=4, 4832/2.9=3...(63) HE3 LYS 115 + HB3 LYS 65 OK 65 98 - 67 - 4878/2.9=4, 4832/2.9=3...(62) HE2 LYS 115 + HB3 LYS 65 OK 65 98 - 67 - 4878/2.9=4, 4832/2.9=3...(62) HE2 LYS 65 + HB3 LYS 115 OK 50 97 - 52 - 6774/3.0=4, ~6784=2...(24) HE3 LYS 65 + HB3 LYS 115 OK 50 97 - 52 - 6774/3.0=4, ~6784=2...(24) HE2 LYS 65 + HB2 LYS 115 OK 46 90 - 52 - 6784/3.0=4, ~6784=2...(24) HE3 LYS 65 + HB2 LYS 115 OK 46 90 - 52 - 6784/3.0=4, ~6784=2...(24) HE3 LYS 16 - HB3 LYS 40 OK 29 54 - 55 - 2892/1.8=7, ~2892=5...(31) HE2 LYS 16 - HB3 LYS 40 OK 29 54 - 55 - 2892/1.8=7, ~2892=5...(31) HE2 LYS 16 - HB3 LYS 115 OK 10 100 - 10 - HE3 LYS 16 - HB3 LYS 115 OK 10 100 - 10 - HE3 LYS 16 - HB2 LYS 115 OK 10 96 - 10 - HE2 LYS 16 - HB2 LYS 115 OK 10 96 - 10 - HE3 LYS 16 - HB3 LYS 65 lone 9 98 - 9 - HE2 LYS 16 - HB3 LYS 65 lone 9 98 - 9 - HE3 LYS 16 - HB2 LYS 65 lone 9 98 - 9 - HE2 LYS 16 - HB2 LYS 65 lone 9 98 - 9 - HE3 LYS 94 - HB2 LYS 65 lone 7 92 - 7 - HE3 LYS 17 - HB3 LYS 115 lone 7 94 - 7 - ~2883=1, 1.8/2883=1 HE3 LYS 94 - HB3 LYS 65 lone 7 92 - 7 - HE3 LYS 17 - HB2 LYS 115 lone 6 87 - 7 - 1.8/2883=1 HE2 LYS 16 - HB2 LYS 39 lone 6 94 - 7 - HE3 LYS 16 - HB2 LYS 39 lone 6 94 - 7 - HE2 LYS 16 - HB2 LYS 123 lone 4 95 - 5 - HE3 LYS 16 - HB2 LYS 123 lone 4 95 - 5 - HE3 LYS 17 - HB2 LYS 123 lone 4 86 - 5 - HE2 LYS 115 - HB2 LYS 123 lone 4 95 - 4 - HE3 LYS 115 - HB2 LYS 123 lone 4 95 - 4 - HE3 LYS 17 - HB3 LYS 40 lone 4 46 - 9 - ~2882=2, ~2862=1, 2892/1.8=1 HE2 LYS 16 - HB3 LYS 39 lone 4 55 - 7 - HE3 LYS 16 - HB3 LYS 39 lone 4 55 - 7 - HE3 LYS 94 - HB3 LYS 115 lone 4 96 - 4 - HE3 LYS 65 - HB2 LYS 123 lone 3 89 - 4 - HE2 LYS 65 - HB2 LYS 123 lone 3 89 - 4 - HE3 LYS 94 - HB2 LYS 123 lone 3 88 - 4 - HE3 LYS 17 - HB3 LYS 65 lone 3 90 - 3 - HE3 LYS 17 - HB2 LYS 65 lone 3 90 - 3 - HE3 LYS 94 - HB2 LYS 115 lone 3 89 - 3 - HB2 ASN 8 - HB2 LYS 65 lone 2 62 - 3 - 38/4.0=2 HB2 ASN 8 - HB3 LYS 65 lone 2 61 - 3 - 38/4.0=2 HE3 LYS 94 - HB2 LYS 39 lone 2 87 - 2 - HE3 LYS 115 - HB2 LYS 39 lone 2 95 - 2 - HE2 LYS 115 - HB2 LYS 39 lone 2 95 - 2 - HE3 LYS 115 - HB3 LYS 40 lone 2 54 - 3 - HE2 LYS 115 - HB3 LYS 40 lone 2 54 - 3 - HE2 LYS 65 - HB2 LYS 39 lone 1 89 - 2 - HE3 LYS 65 - HB2 LYS 39 lone 1 89 - 2 - HE3 LYS 17 - HB2 LYS 39 lone 1 85 - 1 - HE3 LYS 94 - HB3 LYS 39 lone 1 49 - 2 - HE2 LYS 115 - HB3 LYS 39 lone 1 55 - 2 - HE3 LYS 115 - HB3 LYS 39 lone 1 55 - 2 - HB2 ASN 33 - HB3 LYS 115 lone 1 100 - 1 - HE3 LYS 94 - HB3 LYS 40 lone 1 48 - 2 - HB2 ASP 34 - HB2 LYS 123 lone 1 95 - 1 - HB2 ASN 33 - HB2 LYS 115 lone 1 96 - 1 - HE3 LYS 65 - HB3 LYS 40 lone 1 49 - 2 - HE2 LYS 65 - HB3 LYS 40 lone 1 49 - 2 - HE2 LYS 65 - HB3 LYS 39 lone 1 50 - 2 - HE3 LYS 65 - HB3 LYS 39 lone 1 50 - 2 - HB2 ASP 34 - HB3 LYS 115 lone 1 100 - 1 - HB2 ASP 34 - HB2 LYS 115 lone 1 96 - 1 - HB2 ASP 34 - HB2 LYS 65 lone 1 98 - 1 - HB2 ASP 34 - HB3 LYS 65 lone 1 98 - 1 - HB2 ASN 8 - HB3 LYS 115 lone 1 65 - 1 - HB2 ASN 33 - HB2 LYS 65 lone 1 98 - 1 - HB2 ASN 33 - HB3 LYS 65 lone 1 98 - 1 - HB3 ASN 88 - HB2 LYS 65 lone 1 97 - 1 - HB3 ASN 88 - HB3 LYS 65 lone 1 97 - 1 - HB2 ASN 8 - HB2 LYS 115 lone 1 58 - 1 - HB3 ASN 88 - HB3 LYS 115 lone 1 99 - 1 - HB2 ASN 33 - HB2 LYS 39 lone 1 94 - 1 - HB2 ASN 10 - HB3 LYS 115 lone 1 100 - 1 - HB3 ASN 88 - HB2 LYS 115 lone 1 94 - 1 - HB2 ASN 10 - HB2 LYS 65 lone 1 97 - 1 - HB2 ASN 10 - HB3 LYS 65 lone 1 97 - 1 - HB2 ASN 10 - HB2 LYS 115 lone 1 95 - 1 - HE3 LYS 17 - HB3 LYS 39 lone 1 47 - 1 - HB2 ASP 34 - HB2 LYS 39 lone 0 95 - 1 - HB2 ASN 33 - HB2 LYS 123 lone 0 95 - 1 - HB2 ASN 10 - HB2 LYS 123 lone 0 94 - 0 - HB2 ASN 10 - HB2 LYS 39 lone 0 94 - 0 - HB3 ASN 88 - HB2 LYS 123 lone 0 93 - 0 - HB3 ASN 88 - HB2 LYS 39 lone 0 93 - 0 - HB2 ASP 86 - HB3 LYS 115 lone 0 65 - 1 - HB2 ASN 8 - HB2 LYS 123 lone 0 58 - 1 - HB2 ASP 86 - HB2 LYS 115 lone 0 58 - 1 - HB2 ASP 86 - HB2 LYS 65 lone 0 62 - 1 - HB2 ASP 86 - HB3 LYS 65 lone 0 61 - 1 - HB2 ASN 33 - HB3 LYS 39 lone 0 55 - 1 - HB2 ASN 8 - HB2 LYS 39 lone 0 57 - 1 - HB2 ASP 86 - HB2 LYS 39 lone 0 57 - 0 - HB2 ASP 86 - HB2 LYS 123 lone 0 58 - 0 - HB2 ASP 34 - HB3 LYS 40 lone 0 54 - 1 - HB2 ASN 33 - HB3 LYS 40 lone 0 54 - 1 - HB2 ASP 34 - HB3 LYS 39 lone 0 55 - 0 - HB2 ASN 10 - HB3 LYS 40 lone 0 53 - 1 - HB3 ASN 88 - HB3 LYS 40 lone 0 52 - 1 - HB2 ASN 10 - HB3 LYS 39 lone 0 54 - 0 - HB3 ASN 88 - HB3 LYS 39 lone 0 53 - 0 - HB2 ASN 8 - HB3 LYS 40 lone 0 28 - 1 - HB2 ASN 8 - HB3 LYS 39 lone 0 29 - 1 - HB2 ASP 86 - HB3 LYS 39 lone 0 29 - 0 - HB2 ASP 86 - HB3 LYS 40 lone 0 28 - 1 - Peak 6729 from cnoeabs.peaks (7.62, 1.56, 24.91 ppm; 3.86 A): 2 out of 33 assignments used, quality = 0.92: * H LYS 115 + HG2 LYS 115 OK 86 100 - 86 - 5.0=46, 1754/1.8=25...(20) H LYS 115 + HG2 LYS 65 OK 39 73 - 54 - 1753=12, 3.0/6703=8...(21) H LEU 64 - HG2 LYS 65 OK 16 64 - 25 - 1907/5.0=9, 8129/3.9=6...(7) H GLN 100 - HG3 LYS 96 OK 15 83 - 18 - 3.6/10085=5, 4.5/10462=3...(5) H GLN 100 - HG2 LYS 115 OK 14 98 - 14 - 6739/1.8=4, 1753=2...(5) H LEU 64 - HG2 LYS 115 OK 11 94 - 11 - 4.6/1426=4, 2084/402=1 H GLU 69 - HG2 LYS 65 poor 8 62 - 14 - 8129/3.9=6, 391/5.0=2 HE21 GLN 85 - HG2 LYS 115 lone 6 97 - 6 - ~11595=2, 6739/1.8=1 H GLU 69 - HG2 LYS 115 lone 5 92 - 6 - H LYS 115 - HG3 LYS 96 lone 4 87 - 4 - HE21 GLN 85 - HG2 LYS 65 lone 4 68 - 5 - ~11595=1 H ASP 34 - HG2 LYS 115 lone 3 100 - 3 - H GLN 100 - HG2 LYS 65 lone 3 69 - 4 - H LYS 16 - HG2 LYS 115 lone 2 84 - 3 - H GLU 69 - HG3 LYS 96 lone 2 75 - 3 - H LEU 74 - HG2 LYS 115 lone 2 96 - 2 - H LEU 64 - HG3 LYS 96 lone 2 77 - 3 - H ASP 34 - HG2 LYS 65 lone 2 73 - 2 - HD21 ASN 50 - HG2 LYS 115 lone 2 73 - 2 - H LEU 74 - HG3 LYS 96 lone 1 79 - 2 - H ALA 46 - HG3 LYS 96 lone 1 44 - 3 - 4.6/265=2 H ALA 46 - HG2 LYS 65 lone 1 35 - 3 - H ASP 34 - HG3 LYS 96 lone 1 87 - 1 - HE ARG 105 - HG2 LYS 115 lone 1 65 - 2 - H LYS 16 - HG3 LYS 96 lone 1 67 - 2 - H ALA 46 - HG2 LYS 115 lone 1 57 - 2 - H LEU 74 - HG2 LYS 65 lone 1 66 - 1 - HE21 GLN 85 - HG3 LYS 96 lone 1 81 - 1 - HD21 ASN 50 - HG2 LYS 65 lone 1 46 - 2 - H LYS 16 - HG2 LYS 65 lone 1 55 - 1 - HE ARG 105 - HG3 LYS 96 lone 0 50 - 1 - HD21 ASN 50 - HG3 LYS 96 lone 0 57 - 0 - HE ARG 105 - HG2 LYS 65 lone 0 41 - 1 - Peak 6730 from cnoeabs.peaks (3.80, 1.56, 24.91 ppm; 3.56 A): 2 out of 12 assignments used, quality = 0.98: * HA LYS 115 + HG2 LYS 115 OK 93 100 - 93 - 3.9=74, 3.6/729=15...(20) HA LYS 65 + HG2 LYS 65 OK 64 69 - 92 - 3.9=74, 4798/1.8=19...(18) HA LYS 65 - HG2 LYS 115 OK 43 98 - 44 - 4797=9, 3.0/1426=5...(14) HA LYS 115 - HG2 LYS 65 OK 38 73 - 53 - 6703=13, 3.0/1753=7...(21) HA ALA 113 - HG2 LYS 115 lone 8 100 - 8 - 8251/729=4 HA LYS 115 - HG3 LYS 96 lone 4 87 - 4 - 6703=1 HA2 GLY 26 - HG2 LYS 115 lone 2 77 - 3 - HA ALA 113 - HG2 LYS 65 lone 2 73 - 3 - 8251/729=1 HA LYS 65 - HG3 LYS 96 lone 2 83 - 2 - HA2 GLY 26 - HG3 LYS 96 lone 1 61 - 1 - HA ALA 113 - HG3 LYS 96 lone 1 87 - 1 - HA2 GLY 26 - HG2 LYS 65 lone 0 49 - 1 - Peak 6731 from cnoeabs.peaks (1.93, 1.56, 24.91 ppm; 2.89 A): 4 out of 48 assignments used, quality = 1.00: * HB2 LYS 115 + HG2 LYS 115 OK 97 100 - 97 - 3.0=94, 3.0/6703=10...(17) HB3 LYS 115 + HG2 LYS 115 OK 95 98 - 97 - 3.0=94, 3.0/6703=10...(17) HB3 LYS 65 + HG2 LYS 65 OK 70 70 - 99 - 2.9=99, 3.0/4797=9...(22) HB2 LYS 65 + HG2 LYS 65 OK 69 69 - 99 - 2.9=99, 3.0/4797=9...(22) HB3 LYS 65 - HG2 LYS 115 OK 35 99 - 35 - 3.0/4797=4, 6713=2...(11) HB2 LYS 65 - HG2 LYS 115 OK 34 98 - 35 - 3.0/4797=4, 6723=2...(11) HB2 LYS 115 - HG2 LYS 65 OK 23 73 - 31 - 3.0/6703=5, 4.0/1753=3...(7) HB3 LYS 115 - HG2 LYS 65 OK 21 69 - 31 - 3.0/6703=5, 4.0/1753=3...(7) HB2 LYS 44 - HG3 LYS 96 OK 18 54 - 33 - ~3905=3, 3.0/6112=2...(11) HB VAL 104 - HG2 LYS 115 poor 9 65 - 14 - 2.1/10227=4, ~10228=3...(5) HB2 LYS 39 - HG3 LYS 96 poor 9 83 - 11 - 4.3/6111=2, 4.0/7799=1...(4) HB3 LYS 40 - HG3 LYS 96 poor 8 54 - 15 - 8046/4.0=3, 4.0/6111=2 HB2 LEU 81 - HG2 LYS 65 lone 5 64 - 7 - ~10805=3 HB2 LYS 123 - HG2 LYS 115 lone 4 98 - 4 - HB2 LYS 123 - HG3 LYS 96 lone 4 83 - 5 - HB3 LYS 123 - HG2 LYS 115 lone 3 81 - 4 - HB2 LEU 81 - HG2 LYS 115 lone 3 94 - 3 - HB3 LYS 17 - HG2 LYS 115 lone 3 98 - 3 - HB3 LYS 123 - HG3 LYS 96 lone 2 64 - 4 - HB2 LYS 123 - HG2 LYS 65 lone 2 69 - 3 - HB2 LYS 115 - HG3 LYS 96 lone 2 87 - 2 - HB3 LYS 115 - HG3 LYS 96 lone 2 83 - 2 - HB2 LEU 70 - HG3 LYS 96 lone 2 64 - 3 - HB3 LYS 65 - HG3 LYS 96 lone 2 84 - 2 - HB2 LYS 65 - HG3 LYS 96 lone 2 83 - 2 - HB2 LEU 70 - HG2 LYS 115 lone 2 81 - 2 - HB3 LYS 123 - HG2 LYS 65 lone 1 52 - 3 - HB3 LYS 17 - HG3 LYS 96 lone 1 83 - 1 - HB VAL 104 - HG3 LYS 96 lone 1 50 - 2 - 2.1/10227=1 HB VAL 104 - HG2 LYS 65 lone 1 41 - 3 - ~10981=2 HB2 LYS 39 - HG2 LYS 115 lone 1 98 - 1 - HB2 LEU 70 - HG2 LYS 65 lone 1 52 - 2 - HB ILE 15 - HG2 LYS 115 lone 1 84 - 1 - HB2 LEU 127 - HG2 LYS 65 lone 1 70 - 1 - HB3 LYS 40 - HG2 LYS 115 lone 1 70 - 1 - HB2 LEU 127 - HG2 LYS 115 lone 1 99 - 1 - HB3 LYS 17 - HG2 LYS 65 lone 1 69 - 1 - HB2 LYS 39 - HG2 LYS 65 lone 0 69 - 1 - HB2 LEU 127 - HG3 LYS 96 lone 0 84 - 0 - HG2 MET 121 - HG2 LYS 115 lone 0 90 - 0 - HB2 LYS 44 - HG2 LYS 115 lone 0 70 - 0 - HB2 LEU 81 - HG3 LYS 96 lone 0 77 - 0 - HG2 MET 121 - HG2 LYS 65 lone 0 60 - 0 - HB ILE 15 - HG2 LYS 65 lone 0 55 - 0 - HB3 LYS 40 - HG2 LYS 65 lone 0 44 - 1 - HB ILE 15 - HG3 LYS 96 lone 0 67 - 0 - HG2 MET 121 - HG3 LYS 96 lone 0 72 - 0 - HB2 LYS 44 - HG2 LYS 65 lone 0 44 - 0 - Peak 6732 from cnoeabs.peaks (1.93, 1.56, 24.91 ppm; 2.89 A): 4 out of 60 assignments used, quality = 1.00: * HB3 LYS 115 + HG2 LYS 115 OK 97 100 - 97 - 3.0=94, 3.0/6703=10...(17) HB2 LYS 115 + HG2 LYS 115 OK 95 98 - 97 - 3.0=94, 3.0/6703=10...(17) HB2 LYS 65 + HG2 LYS 65 OK 73 73 - 99 - 2.9=99, 3.0/4797=9...(22) HB3 LYS 65 + HG2 LYS 65 OK 73 73 - 99 - 2.9=99, 3.0/4797=9...(22) HB3 LYS 65 - HG2 LYS 115 OK 35 100 - 35 - 3.0/4797=4, 6723=2...(11) HB2 LYS 65 - HG2 LYS 115 OK 35 100 - 35 - 3.0/4797=4, 6723=2...(11) HB3 LYS 115 - HG2 LYS 65 OK 23 73 - 31 - 3.0/6703=5, 4.0/1753=3...(7) HB2 LYS 115 - HG2 LYS 65 OK 21 69 - 31 - 3.0/6703=5, 4.0/1753=3...(7) HB VAL 104 - HG2 LYS 115 OK 13 87 - 15 - 2.1/10227=4, 10225/1.8=3...(5) HB3 LYS 40 - HG3 LYS 96 OK 12 72 - 17 - 8046/4.0=4, 4.0/6111=2 HB2 LYS 39 - HG3 LYS 96 poor 9 87 - 11 - 4.3/6111=2, 4.0/7799=1...(4) HB3 LYS 39 - HG3 LYS 96 poor 7 64 - 11 - 4.3/6111=2, 4.0/7799=1 HB2 LYS 123 - HG3 LYS 96 lone 4 87 - 5 - HB2 LYS 123 - HG2 LYS 115 lone 4 100 - 4 - HB2 LEU 81 - HG2 LYS 65 lone 4 49 - 7 - ~10805=3 HB2 LEU 81 - HG2 LYS 115 lone 2 77 - 3 - HB2 LYS 123 - HG2 LYS 65 lone 2 73 - 3 - HB3 LYS 17 - HG2 LYS 115 lone 2 87 - 3 - HB3 LYS 115 - HG3 LYS 96 lone 2 87 - 2 - HB2 LEU 70 - HG3 LYS 96 lone 2 79 - 3 - HB2 LYS 115 - HG3 LYS 96 lone 2 83 - 2 - HB2 LEU 70 - HG2 LYS 115 lone 2 96 - 2 - HB2 LYS 65 - HG3 LYS 96 lone 2 87 - 2 - HB3 LYS 65 - HG3 LYS 96 lone 2 87 - 2 - HB VAL 104 - HG3 LYS 96 lone 2 70 - 2 - 2.1/10227=1 HB VAL 104 - HG2 LYS 65 lone 2 57 - 3 - ~10981=2 HB3 GLU 41 - HG3 LYS 96 lone 1 61 - 2 - HB2 GLU 41 - HG3 LYS 96 lone 1 57 - 2 - HB2 LEU 70 - HG2 LYS 65 lone 1 66 - 2 - HB3 LYS 17 - HG3 LYS 96 lone 1 70 - 1 - HB3 LYS 40 - HG2 LYS 115 lone 1 90 - 1 - HB2 LYS 39 - HG2 LYS 115 lone 1 100 - 1 - HB2 LEU 127 - HG2 LYS 65 lone 1 73 - 1 - HB3 LYS 39 - HG2 LYS 115 lone 1 81 - 1 - HB ILE 15 - HG2 LYS 115 lone 1 61 - 1 - HB2 LEU 127 - HG2 LYS 115 lone 0 100 - 0 - HB2 LYS 39 - HG2 LYS 65 lone 0 73 - 1 - HB2 LEU 127 - HG3 LYS 96 lone 0 87 - 0 - HB3 MET 42 - HG2 LYS 115 lone 0 73 - 1 - HB VAL 29 - HG2 LYS 115 lone 0 61 - 1 - HB3 LYS 17 - HG2 LYS 65 lone 0 57 - 1 - HB3 LYS 40 - HG2 LYS 65 lone 0 60 - 1 - HB3 LYS 39 - HG2 LYS 65 lone 0 52 - 1 - HG2 MET 121 - HG2 LYS 115 lone 0 70 - 0 - HB3 MET 42 - HG2 LYS 65 lone 0 46 - 1 - HB3 GLU 41 - HG2 LYS 115 lone 0 77 - 0 - HB3 MET 42 - HG3 LYS 96 lone 0 57 - 0 - HB2 GLU 41 - HG2 LYS 115 lone 0 73 - 0 - HB2 LEU 81 - HG3 LYS 96 lone 0 61 - 0 - HB3 GLU 52 - HG2 LYS 115 lone 0 65 - 0 - HB VAL 29 - HG3 LYS 96 lone 0 47 - 0 - HB VAL 29 - HG2 LYS 65 lone 0 38 - 0 - HB3 GLU 41 - HG2 LYS 65 lone 0 49 - 0 - HB ILE 15 - HG2 LYS 65 lone 0 38 - 0 - HB2 GLU 41 - HG2 LYS 65 lone 0 46 - 0 - HB ILE 15 - HG3 LYS 96 lone 0 47 - 0 - HG2 MET 121 - HG2 LYS 65 lone 0 44 - 0 - HG2 MET 121 - HG3 LYS 96 lone 0 54 - 0 - HB3 GLU 52 - HG3 LYS 96 lone 0 50 - 0 - HB3 GLU 52 - HG2 LYS 65 lone 0 41 - 0 - Peak 6733 from cnoeabs.peaks (1.56, 1.56, 24.91 ppm; diagonal): 3 out of 3 assignments used, quality = 1.00: * HG2 LYS 115 + HG2 LYS 115 OK 100 100 - 100 HG3 LYS 96 + HG3 LYS 96 OK 77 77 - 100 HG2 LYS 65 + HG2 LYS 65 OK 57 57 - 100 Peak 6734 from cnoeabs.peaks (1.30, 1.56, 24.91 ppm; 2.55 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 115 + HG2 LYS 115 OK 100 100 - 100 - 1.8=100 Peak 6735 from cnoeabs.peaks (1.66, 1.56, 24.91 ppm; 2.40 A): 4 out of 39 assignments used, quality = 0.98: * HD2 LYS 115 + HG2 LYS 115 OK 73 100 - 73 - 2.9=56, 1.8/6763=6...(10) HD3 LYS 115 + HG2 LYS 115 OK 72 100 - 73 - 2.9=56, 1.8/6763=6...(10) HD2 LYS 65 + HG2 LYS 65 OK 55 73 - 76 - 3.0=53, 4839/1.8=7...(15) HD3 LYS 65 + HG2 LYS 65 OK 54 70 - 76 - 3.0=53, 4839/1.8=7...(15) HD2 LYS 115 - HG2 LYS 65 OK 23 73 - 31 - 6763=3, 4839/1.8=3...(9) HD3 LYS 115 - HG2 LYS 65 OK 22 72 - 31 - 6763=3, 4839/1.8=3...(9) HD2 LYS 65 - HG2 LYS 115 OK 22 100 - 22 - 6763=3, 1.8/6753=2...(4) HD3 LYS 65 - HG2 LYS 115 OK 22 99 - 22 - 6753=3, 1.8/6763=2...(4) HG LEU 114 - HG2 LYS 115 lone 6 99 - 6 - 2.1/11131=1, 7884/5.0=1 HG LEU 64 - HG2 LYS 65 lone 3 52 - 6 - ~10805=2 HD2 LYS 65 - HG3 LYS 96 lone 2 86 - 3 - HD3 LYS 65 - HG3 LYS 96 lone 2 84 - 3 - HG3 ARG 95 - HG3 LYS 96 lone 2 47 - 4 - HG LEU 114 - HG2 LYS 65 lone 2 70 - 3 - HG LEU 64 - HG2 LYS 115 lone 2 81 - 2 - HG LEU 90 - HG2 LYS 65 lone 1 44 - 3 - ~10981=2 HD2 LYS 115 - HG3 LYS 96 lone 1 87 - 1 - HD3 LYS 115 - HG3 LYS 96 lone 1 86 - 1 - HD2 LYS 49 - HG2 LYS 115 lone 1 100 - 1 - HD3 LYS 49 - HG2 LYS 115 lone 1 100 - 1 - HD2 LYS 49 - HG2 LYS 65 lone 1 72 - 1 - HD3 LYS 49 - HG2 LYS 65 lone 1 72 - 1 - HD3 LYS 49 - HG3 LYS 96 lone 0 86 - 1 - HD2 LYS 49 - HG3 LYS 96 lone 0 86 - 1 - HB ILE 5 - HG2 LYS 115 lone 0 92 - 0 - HG LEU 114 - HG3 LYS 96 lone 0 84 - 0 - HB2 ARG 30 - HG2 LYS 115 lone 0 100 - 0 - HG LEU 90 - HG2 LYS 115 lone 0 70 - 0 - HB2 GLU 52 - HG2 LYS 115 lone 0 100 - 0 - HB ILE 5 - HG2 LYS 65 lone 0 62 - 0 - HB2 ARG 30 - HG3 LYS 96 lone 0 86 - 0 - HB2 ARG 30 - HG2 LYS 65 lone 0 73 - 0 - HG LEU 64 - HG3 LYS 96 lone 0 64 - 0 - HB2 GLU 52 - HG2 LYS 65 lone 0 73 - 0 - HB2 GLU 52 - HG3 LYS 96 lone 0 87 - 0 - HB ILE 5 - HG3 LYS 96 lone 0 75 - 0 - HG3 ARG 95 - HG2 LYS 115 lone 0 61 - 0 - HG LEU 90 - HG3 LYS 96 lone 0 54 - 0 - HG3 ARG 95 - HG2 LYS 65 lone 0 38 - 0 - Peak 6736 from cnoeabs.peaks (1.66, 1.56, 24.91 ppm; 2.40 A): 4 out of 39 assignments used, quality = 0.98: * HD3 LYS 115 + HG2 LYS 115 OK 73 100 - 73 - 2.9=56, 1.8/6763=6...(10) HD2 LYS 115 + HG2 LYS 115 OK 72 100 - 73 - 2.9=56, 1.8/6763=6...(10) HD2 LYS 65 + HG2 LYS 65 OK 54 70 - 76 - 3.0=53, 4839/1.8=7...(15) HD3 LYS 65 + HG2 LYS 65 OK 50 66 - 76 - 3.0=53, 4839/1.8=7...(15) HD3 LYS 115 - HG2 LYS 65 OK 23 73 - 31 - 6763=3, 4839/1.8=3...(9) HD2 LYS 115 - HG2 LYS 65 OK 22 72 - 31 - 6763=3, 4839/1.8=3...(9) HD2 LYS 65 - HG2 LYS 115 OK 22 99 - 22 - 6763=3, 1.8/6753=2...(4) HD3 LYS 65 - HG2 LYS 115 OK 21 96 - 22 - 6753=3, 1.8/6763=2...(4) HG LEU 114 - HG2 LYS 115 lone 5 96 - 6 - 2.1/11131=1, 7884/5.0=1 HD2 LYS 43 - HG3 LYS 96 lone 4 47 - 8 - HG3 ARG 95 - HG3 LYS 96 lone 3 57 - 6 - 7792/5.1=1, 6049/2.9=1 HG LEU 64 - HG2 LYS 65 lone 2 44 - 6 - ~10805=2 HD2 LYS 65 - HG3 LYS 96 lone 2 84 - 3 - HD3 LYS 65 - HG3 LYS 96 lone 2 79 - 3 - HG LEU 114 - HG2 LYS 65 lone 2 66 - 3 - HG LEU 64 - HG2 LYS 115 lone 1 70 - 2 - HD3 LYS 115 - HG3 LYS 96 lone 1 87 - 1 - HD2 LYS 115 - HG3 LYS 96 lone 1 86 - 1 - HD2 LYS 49 - HG2 LYS 115 lone 1 98 - 1 - HD3 LYS 49 - HG2 LYS 115 lone 1 98 - 1 - HD2 LYS 49 - HG2 LYS 65 lone 1 69 - 1 - HD3 LYS 49 - HG2 LYS 65 lone 1 69 - 1 - HD2 LYS 49 - HG3 LYS 96 lone 0 83 - 1 - HD3 LYS 49 - HG3 LYS 96 lone 0 83 - 1 - HB2 ARG 30 - HG2 LYS 115 lone 0 99 - 0 - HG LEU 114 - HG3 LYS 96 lone 0 79 - 0 - HB ILE 5 - HG2 LYS 115 lone 0 84 - 0 - HB2 GLU 52 - HG2 LYS 115 lone 0 100 - 0 - HD2 LYS 43 - HG2 LYS 115 lone 0 61 - 0 - HB2 ARG 30 - HG3 LYS 96 lone 0 84 - 0 - HB2 ARG 30 - HG2 LYS 65 lone 0 70 - 0 - HB2 GLU 52 - HG2 LYS 65 lone 0 72 - 0 - HG3 ARG 95 - HG2 LYS 115 lone 0 73 - 0 - HB ILE 5 - HG2 LYS 65 lone 0 55 - 0 - HB2 GLU 52 - HG3 LYS 96 lone 0 86 - 0 - HG LEU 64 - HG3 LYS 96 lone 0 54 - 0 - HB ILE 5 - HG3 LYS 96 lone 0 67 - 0 - HD2 LYS 43 - HG2 LYS 65 lone 0 38 - 0 - HG3 ARG 95 - HG2 LYS 65 lone 0 46 - 0 - Peak 6737 from cnoeabs.peaks (2.91, 1.56, 24.91 ppm; 3.42 A): 4 out of 42 assignments used, quality = 1.00: * HE2 LYS 115 + HG2 LYS 115 OK 93 100 - 93 - 3.7=80, 6774/1.8=11...(28) HE3 LYS 115 + HG2 LYS 115 OK 93 100 - 93 - 3.7=80, 6774/1.8=11...(28) HE3 LYS 65 + HG2 LYS 65 OK 64 68 - 94 - 3.7=78, 4878/1.8=9...(33) HE2 LYS 65 + HG2 LYS 65 OK 64 68 - 94 - 3.7=78, 4878/1.8=9...(33) HE3 LYS 65 - HG2 LYS 115 OK 36 97 - 38 - 6774/1.8=4, 6783=3...(11) HE2 LYS 65 - HG2 LYS 115 OK 36 97 - 38 - 6774/1.8=4, 6783=3...(11) HE2 LYS 115 - HG2 LYS 65 OK 36 73 - 49 - 4868/1.8=4, 6783=3...(17) HE3 LYS 115 - HG2 LYS 65 OK 36 73 - 49 - 4868/1.8=4, 6783=3...(17) HE3 LYS 65 - HG3 LYS 96 poor 9 81 - 10 - HE2 LYS 65 - HG3 LYS 96 poor 9 81 - 10 - HE3 LYS 16 - HG2 LYS 115 lone 8 100 - 8 - HE2 LYS 16 - HG2 LYS 115 lone 8 100 - 8 - HE2 LYS 16 - HG2 LYS 65 lone 4 73 - 6 - HE3 LYS 16 - HG2 LYS 65 lone 4 73 - 6 - HE3 LYS 16 - HG3 LYS 96 lone 3 87 - 4 - HE2 LYS 16 - HG3 LYS 96 lone 3 87 - 4 - HE3 LYS 17 - HG2 LYS 115 lone 3 94 - 3 - HE3 LYS 94 - HG2 LYS 115 lone 3 96 - 3 - HE3 LYS 94 - HG2 LYS 65 lone 2 66 - 3 - HE3 LYS 94 - HG3 LYS 96 lone 2 79 - 2 - HE2 LYS 115 - HG3 LYS 96 lone 1 87 - 2 - HE3 LYS 115 - HG3 LYS 96 lone 1 87 - 2 - HE3 LYS 17 - HG3 LYS 96 lone 1 77 - 1 - HE3 LYS 17 - HG2 LYS 65 lone 1 64 - 1 - HB2 ASN 8 - HG2 LYS 65 lone 1 41 - 2 - 38/5.0=1 HB2 ASN 33 - HG2 LYS 115 lone 1 100 - 1 - HB2 ASP 34 - HG2 LYS 115 lone 1 100 - 1 - HB3 ASN 88 - HG2 LYS 115 lone 0 99 - 0 - HB2 ASN 8 - HG2 LYS 115 lone 0 65 - 1 - HB2 ASN 10 - HG2 LYS 115 lone 0 100 - 0 - HB2 ASP 34 - HG2 LYS 65 lone 0 73 - 1 - HB2 ASN 33 - HG2 LYS 65 lone 0 73 - 0 - HB3 ASN 88 - HG2 LYS 65 lone 0 71 - 1 - HB2 ASP 34 - HG3 LYS 96 lone 0 87 - 0 - HB2 ASN 33 - HG3 LYS 96 lone 0 87 - 0 - HB3 ASN 88 - HG3 LYS 96 lone 0 85 - 0 - HB2 ASP 86 - HG2 LYS 115 lone 0 65 - 0 - HB2 ASN 10 - HG3 LYS 96 lone 0 86 - 0 - HB2 ASN 10 - HG2 LYS 65 lone 0 72 - 0 - HB2 ASP 86 - HG3 LYS 96 lone 0 50 - 0 - HB2 ASN 8 - HG3 LYS 96 lone 0 50 - 0 - HB2 ASP 86 - HG2 LYS 65 lone 0 41 - 0 - Peak 6738 from cnoeabs.peaks (2.91, 1.56, 24.91 ppm; 3.42 A): 4 out of 42 assignments used, quality = 1.00: HE2 LYS 115 + HG2 LYS 115 OK 93 100 - 93 - 3.7=80, 6774/1.8=11...(28) * HE3 LYS 115 + HG2 LYS 115 OK 93 100 - 93 - 3.7=80, 6774/1.8=11...(28) HE3 LYS 65 + HG2 LYS 65 OK 64 68 - 94 - 3.7=78, 4878/1.8=9...(33) HE2 LYS 65 + HG2 LYS 65 OK 64 68 - 94 - 3.7=78, 4878/1.8=9...(33) HE3 LYS 65 - HG2 LYS 115 OK 36 97 - 38 - 6774/1.8=4, 6783=3...(11) HE2 LYS 65 - HG2 LYS 115 OK 36 97 - 38 - 6774/1.8=4, 6783=3...(11) HE2 LYS 115 - HG2 LYS 65 OK 36 73 - 49 - 4868/1.8=4, 6783=3...(17) HE3 LYS 115 - HG2 LYS 65 OK 36 73 - 49 - 4868/1.8=4, 6783=3...(17) HE3 LYS 65 - HG3 LYS 96 poor 9 81 - 10 - HE2 LYS 65 - HG3 LYS 96 poor 9 81 - 10 - HE3 LYS 16 - HG2 LYS 115 lone 8 100 - 8 - HE2 LYS 16 - HG2 LYS 115 lone 8 100 - 8 - HE2 LYS 16 - HG2 LYS 65 lone 4 73 - 6 - HE3 LYS 16 - HG2 LYS 65 lone 4 73 - 6 - HE3 LYS 16 - HG3 LYS 96 lone 3 87 - 4 - HE2 LYS 16 - HG3 LYS 96 lone 3 87 - 4 - HE3 LYS 17 - HG2 LYS 115 lone 3 94 - 3 - HE3 LYS 94 - HG2 LYS 115 lone 3 96 - 3 - HE3 LYS 94 - HG2 LYS 65 lone 2 66 - 3 - HE3 LYS 94 - HG3 LYS 96 lone 2 79 - 2 - HE2 LYS 115 - HG3 LYS 96 lone 1 87 - 2 - HE3 LYS 115 - HG3 LYS 96 lone 1 87 - 2 - HE3 LYS 17 - HG3 LYS 96 lone 1 77 - 1 - HE3 LYS 17 - HG2 LYS 65 lone 1 64 - 1 - HB2 ASN 8 - HG2 LYS 65 lone 1 41 - 2 - 38/5.0=1 HB2 ASN 33 - HG2 LYS 115 lone 1 100 - 1 - HB2 ASP 34 - HG2 LYS 115 lone 1 100 - 1 - HB3 ASN 88 - HG2 LYS 115 lone 0 99 - 0 - HB2 ASN 8 - HG2 LYS 115 lone 0 65 - 1 - HB2 ASN 10 - HG2 LYS 115 lone 0 100 - 0 - HB2 ASP 34 - HG2 LYS 65 lone 0 73 - 1 - HB2 ASN 33 - HG2 LYS 65 lone 0 73 - 0 - HB3 ASN 88 - HG2 LYS 65 lone 0 71 - 1 - HB2 ASP 34 - HG3 LYS 96 lone 0 87 - 0 - HB2 ASN 33 - HG3 LYS 96 lone 0 87 - 0 - HB3 ASN 88 - HG3 LYS 96 lone 0 85 - 0 - HB2 ASP 86 - HG2 LYS 115 lone 0 65 - 0 - HB2 ASN 10 - HG3 LYS 96 lone 0 86 - 0 - HB2 ASN 10 - HG2 LYS 65 lone 0 72 - 0 - HB2 ASP 86 - HG3 LYS 96 lone 0 50 - 0 - HB2 ASN 8 - HG3 LYS 96 lone 0 50 - 0 - HB2 ASP 86 - HG2 LYS 65 lone 0 41 - 0 - Peak 6739 from cnoeabs.peaks (7.62, 1.30, 24.91 ppm; 4.39 A): 1 out of 11 assignments used, quality = 0.94: * H LYS 115 + HG3 LYS 115 OK 94 100 - 94 - 5.0=67, 1753/1.8=23...(22) H GLN 100 - HG3 LYS 115 OK 18 98 - 18 - 1754=6, 6729/1.8=3...(4) HE21 GLN 85 - HG3 LYS 115 lone 7 97 - 7 - ~11595=2, 6729/1.8=1 H LEU 64 - HG3 LYS 115 lone 7 94 - 7 - 6729/1.8=2, 725/730=1 H GLU 69 - HG3 LYS 115 lone 4 92 - 4 - H ASP 34 - HG3 LYS 115 lone 3 100 - 3 - HE ARG 105 - HG3 LYS 115 lone 3 65 - 5 - 6.8/10269=4 H LYS 16 - HG3 LYS 115 lone 3 84 - 3 - H LEU 74 - HG3 LYS 115 lone 2 96 - 2 - HD21 ASN 50 - HG3 LYS 115 lone 2 73 - 3 - H ALA 46 - HG3 LYS 115 lone 1 57 - 1 - Peak 6740 from cnoeabs.peaks (3.80, 1.30, 24.91 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 115 + HG3 LYS 115 OK 100 100 - 100 - 3.9=100 Peak 6741 from cnoeabs.peaks (1.93, 1.30, 24.91 ppm; 3.45 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 115 + HG3 LYS 115 OK 100 100 - 100 - 3.0=100 HB3 LYS 115 + HG3 LYS 115 OK 98 98 - 100 - 3.0=100 Peak 6742 from cnoeabs.peaks (1.93, 1.30, 24.91 ppm; 3.45 A): 2 out of 2 assignments used, quality = 1.00: * HB3 LYS 115 + HG3 LYS 115 OK 100 100 - 100 - 3.0=100 HB2 LYS 115 + HG3 LYS 115 OK 98 98 - 100 - 3.0=100 Peak 6743 from cnoeabs.peaks (1.56, 1.30, 24.91 ppm; 2.64 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 115 + HG3 LYS 115 OK 100 100 - 100 - 1.8=100 Peak 6744 from cnoeabs.peaks (1.30, 1.30, 24.91 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 115 + HG3 LYS 115 OK 100 100 - 100 Peak 6745 from cnoeabs.peaks (1.66, 1.30, 24.91 ppm; 2.97 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 115 + HG3 LYS 115 OK 100 100 - 100 - 2.9=100 HD3 LYS 115 + HG3 LYS 115 OK 100 100 - 100 - 2.9=100 Peak 6746 from cnoeabs.peaks (1.66, 1.30, 24.91 ppm; 2.97 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 115 + HG3 LYS 115 OK 100 100 - 100 - 2.9=100 HD2 LYS 115 + HG3 LYS 115 OK 100 100 - 100 - 2.9=100 Peak 6747 from cnoeabs.peaks (2.91, 1.30, 24.91 ppm; 3.75 A): 2 out of 2 assignments used, quality = 1.00: HE3 LYS 115 + HG3 LYS 115 OK 100 100 - 100 - 3.7=100 * HE2 LYS 115 + HG3 LYS 115 OK 100 100 - 100 - 3.7=100 Peak 6748 from cnoeabs.peaks (2.91, 1.30, 24.91 ppm; 3.75 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 115 + HG3 LYS 115 OK 100 100 - 100 - 3.7=100 HE2 LYS 115 + HG3 LYS 115 OK 100 100 - 100 - 3.7=100 Peak 6749 from cnoeabs.peaks (7.62, 1.66, 29.55 ppm; 4.03 A): 4 out of 44 assignments used, quality = 0.99: * H LYS 115 + HD2 LYS 115 OK 84 100 - 84 - 6.0=30, 1754/2.9=23...(24) H LYS 115 + HD3 LYS 115 OK 83 99 - 84 - 6.0=30, 1754/2.9=23...(24) H LYS 115 + HD2 LYS 65 OK 57 99 - 58 - 1753/3.0=8, 1756=7...(25) H LYS 115 + HD3 LYS 65 OK 55 96 - 58 - 1753/3.0=8, 1755=7...(25) H LEU 64 - HD2 LYS 65 OK 20 92 - 22 - 1907/6.1=7, 8129/4.8=5...(7) H LEU 64 - HD3 LYS 65 OK 19 88 - 22 - 1907/6.1=7, 8129/4.8=5...(7) H GLN 100 - HD2 LYS 115 OK 11 98 - 12 - 6739/2.9=3, 6729/2.9=2 H GLN 100 - HD3 LYS 115 OK 11 97 - 12 - 6739/2.9=3, 6729/2.9=2 HE21 GLN 85 - HD2 LYS 115 OK 11 97 - 11 - 1.7/11595=2, ~11595=2...(6) HE21 GLN 85 - HD3 LYS 115 OK 11 96 - 11 - 1.7/11595=2, ~11595=2...(6) H GLU 69 - HD2 LYS 65 OK 11 90 - 12 - 8129/4.8=5, 391/6.1=2 H GLU 69 - HD3 LYS 65 OK 10 85 - 12 - 8129/4.8=5, 391/6.1=2 H LEU 64 - HD2 LYS 115 poor 9 94 - 10 - 4.6/1428=3, 6729/2.9=1 H LEU 64 - HD3 LYS 115 poor 9 92 - 10 - 4.6/1428=3, 6729/2.9=1 HE21 GLN 85 - HD2 LYS 65 lone 9 95 - 9 - 1.7/11595=2, ~11595=2...(4) HE21 GLN 85 - HD3 LYS 65 lone 8 91 - 9 - 1.7/11595=2, ~11595=2...(4) H GLU 69 - HD2 LYS 115 lone 4 92 - 4 - H GLU 69 - HD3 LYS 115 lone 4 90 - 4 - H GLN 100 - HD2 LYS 65 lone 4 96 - 4 - H GLN 100 - HD3 LYS 65 lone 3 93 - 4 - H ASP 34 - HD2 LYS 115 lone 3 100 - 3 - H ASP 34 - HD3 LYS 115 lone 3 99 - 3 - HD21 ASN 50 - HD2 LYS 115 lone 3 73 - 4 - 5.7/11596=1 HD21 ASN 50 - HD3 LYS 115 lone 3 71 - 4 - 5.7/11596=1 H LYS 16 - HD2 LYS 115 lone 3 84 - 3 - H LYS 16 - HD3 LYS 115 lone 3 82 - 3 - H ASP 34 - HD2 LYS 65 lone 2 99 - 2 - H ASP 34 - HD3 LYS 65 lone 2 96 - 2 - HD21 ASN 50 - HD2 LYS 65 lone 2 71 - 3 - HD21 ASN 50 - HD3 LYS 65 lone 2 67 - 3 - H LEU 74 - HD2 LYS 115 lone 2 96 - 2 - H LEU 74 - HD3 LYS 115 lone 2 94 - 2 - HE ARG 105 - HD2 LYS 115 lone 2 65 - 3 - 6.8/11596=2 HE ARG 105 - HD3 LYS 115 lone 2 64 - 3 - 6.8/11596=2 H LEU 74 - HD2 LYS 65 lone 2 94 - 2 - H ALA 46 - HD2 LYS 65 lone 2 55 - 3 - H LEU 74 - HD3 LYS 65 lone 1 90 - 2 - H ALA 46 - HD3 LYS 65 lone 1 52 - 3 - H LYS 16 - HD2 LYS 65 lone 1 82 - 2 - H LYS 16 - HD3 LYS 65 lone 1 77 - 2 - H ALA 46 - HD2 LYS 115 lone 1 57 - 1 - H ALA 46 - HD3 LYS 115 lone 1 56 - 1 - HE ARG 105 - HD2 LYS 65 lone 1 63 - 1 - HE ARG 105 - HD3 LYS 65 lone 1 59 - 1 - Peak 6750 from cnoeabs.peaks (3.80, 1.66, 29.55 ppm; 3.86 A): 8 out of 16 assignments used, quality = 1.00: * HA LYS 115 + HD2 LYS 115 OK 91 100 - 91 - 4.9=48, 6703/2.9=18...(46) HA LYS 115 + HD3 LYS 115 OK 91 99 - 91 - 4.9=48, 6703/2.9=18...(46) HA LYS 65 + HD2 LYS 65 OK 88 96 - 92 - 4.8=53, 4797/3.0=19...(43) HA LYS 65 + HD3 LYS 65 OK 85 93 - 92 - 4.8=53, 4797/3.0=19...(43) HA LYS 115 + HD2 LYS 65 OK 62 99 - 62 - 6703/3.0=8, 6706=8...(26) HA LYS 115 + HD3 LYS 65 OK 60 96 - 63 - 6703/3.0=8, 6705=8...(26) HA LYS 65 + HD2 LYS 115 OK 57 98 - 58 - 4797/2.9=7, 4799=7...(19) HA LYS 65 + HD3 LYS 115 OK 56 97 - 59 - 4797/2.9=7, 4799=7...(19) HA ALA 113 - HD2 LYS 115 lone 9 100 - 9 - 3.6/1746=3, 8251/7892=2 HA ALA 113 - HD3 LYS 115 lone 9 99 - 9 - 3.6/1746=3, 8251/7893=2 HA ALA 113 - HD2 LYS 65 lone 4 99 - 4 - 3.6/1746=1 HA ALA 113 - HD3 LYS 65 lone 4 96 - 4 - 3.6/1746=1 HA2 GLY 26 - HD2 LYS 115 lone 2 77 - 3 - HA2 GLY 26 - HD3 LYS 115 lone 2 75 - 3 - HA2 GLY 26 - HD2 LYS 65 lone 1 75 - 1 - HA2 GLY 26 - HD3 LYS 65 lone 1 70 - 1 - Peak 6751 from cnoeabs.peaks (1.93, 1.66, 29.55 ppm; 2.80 A): 12 out of 64 assignments used, quality = 1.00: HB3 LYS 65 + HD2 LYS 65 OK 84 97 - 87 - 3.4=56, 2.9/4839=7...(47) HB2 LYS 65 + HD2 LYS 65 OK 84 96 - 87 - 3.4=56, 2.9/4839=7...(47) HB3 LYS 65 + HD3 LYS 65 OK 81 94 - 87 - 3.4=56, 2.9/4839=7...(47) HB2 LYS 65 + HD3 LYS 65 OK 80 93 - 87 - 3.4=56, 2.9/4839=7...(47) * HB2 LYS 115 + HD2 LYS 115 OK 78 100 - 78 - 3.7=43, 3.0/6736=5...(43) HB2 LYS 115 + HD3 LYS 115 OK 77 99 - 78 - 3.7=43, 3.0/6736=5...(43) HB3 LYS 115 + HD2 LYS 115 OK 76 98 - 77 - 3.7=43, 3.0/6736=5...(43) HB3 LYS 115 + HD3 LYS 115 OK 75 97 - 78 - 3.7=43, 3.0/6736=5...(43) HB3 LYS 65 + HD2 LYS 115 OK 46 99 - 47 - 2.9/4839=3, 3.0/4799=2...(18) HB3 LYS 65 + HD3 LYS 115 OK 46 98 - 47 - 2.9/4839=3, 3.0/4799=2...(18) HB2 LYS 65 + HD2 LYS 115 OK 46 98 - 47 - 2.9/4839=3, 3.0/4799=2...(15) HB2 LYS 65 + HD3 LYS 115 OK 46 97 - 47 - 2.9/4839=3, 3.0/4799=2...(15) HB2 LYS 115 - HD2 LYS 65 OK 35 99 - 36 - 3.0/6706=3, 6716=2...(11) HB2 LYS 115 - HD3 LYS 65 OK 35 96 - 36 - 3.0/6705=3, 6715=2...(11) HB3 LYS 115 - HD2 LYS 65 OK 34 96 - 36 - 3.0/6706=3, 4.0/1756=2...(11) HB3 LYS 115 - HD3 LYS 65 OK 33 93 - 36 - 3.0/6705=3, 4.0/1755=2...(11) HB2 LEU 81 - HD2 LYS 65 lone 8 92 - 8 - ~10805=2 HB VAL 104 - HD2 LYS 115 poor 7 65 - 11 - ~10227=2, 10225/2.9=2...(6) HB VAL 104 - HD3 LYS 115 poor 7 64 - 11 - ~10227=2, 10225/2.9=2...(6) HB2 LEU 81 - HD3 LYS 65 lone 7 88 - 8 - ~10805=2 HB2 LYS 123 - HD2 LYS 65 lone 3 96 - 4 - HB2 LYS 123 - HD3 LYS 65 lone 3 93 - 4 - HB2 LYS 123 - HD2 LYS 115 lone 3 98 - 3 - HB2 LYS 123 - HD3 LYS 115 lone 3 97 - 3 - HB3 LYS 123 - HD2 LYS 65 lone 3 78 - 3 - HB3 LYS 123 - HD2 LYS 115 lone 3 81 - 3 - HB3 LYS 123 - HD3 LYS 65 lone 3 74 - 3 - HB3 LYS 123 - HD3 LYS 115 lone 3 79 - 3 - HB3 LYS 17 - HD2 LYS 115 lone 2 98 - 2 - HB3 LYS 17 - HD3 LYS 115 lone 2 97 - 2 - HB2 LEU 81 - HD2 LYS 115 lone 2 94 - 2 - HB2 LEU 81 - HD3 LYS 115 lone 2 92 - 2 - HB VAL 104 - HD2 LYS 65 lone 2 63 - 3 - ~10981=1 HB VAL 104 - HD3 LYS 65 lone 2 59 - 3 - ~10981=1 HB2 LEU 70 - HD2 LYS 65 lone 1 78 - 2 - HB2 LEU 70 - HD3 LYS 65 lone 1 74 - 2 - HB3 LYS 40 - HD2 LYS 115 lone 1 70 - 1 - HB3 LYS 40 - HD3 LYS 115 lone 1 68 - 1 - HB3 LYS 17 - HD2 LYS 65 lone 1 96 - 1 - HB2 LYS 39 - HD2 LYS 115 lone 1 98 - 1 - HB3 LYS 17 - HD3 LYS 65 lone 1 93 - 1 - HB2 LYS 39 - HD3 LYS 115 lone 1 97 - 1 - HB2 LEU 127 - HD2 LYS 65 lone 1 97 - 1 - HB2 LYS 39 - HD2 LYS 65 lone 1 96 - 1 - HB2 LEU 127 - HD3 LYS 65 lone 1 94 - 1 - HB3 LYS 40 - HD2 LYS 65 lone 1 67 - 1 - HB2 LEU 70 - HD2 LYS 115 lone 1 81 - 1 - HB2 LYS 44 - HD2 LYS 65 lone 1 67 - 1 - HB2 LYS 39 - HD3 LYS 65 lone 1 93 - 1 - HB2 LEU 70 - HD3 LYS 115 lone 1 79 - 1 - HB ILE 15 - HD2 LYS 115 lone 1 84 - 1 - HB ILE 15 - HD3 LYS 115 lone 1 82 - 1 - HB3 LYS 40 - HD3 LYS 65 lone 1 63 - 1 - HB2 LYS 44 - HD3 LYS 65 lone 1 63 - 1 - HB2 LEU 127 - HD2 LYS 115 lone 0 99 - 0 - HG2 MET 121 - HD2 LYS 115 lone 0 90 - 0 - HB2 LEU 127 - HD3 LYS 115 lone 0 98 - 0 - HG2 MET 121 - HD3 LYS 115 lone 0 88 - 0 - HB ILE 15 - HD2 LYS 65 lone 0 82 - 0 - HG2 MET 121 - HD2 LYS 65 lone 0 87 - 0 - HB ILE 15 - HD3 LYS 65 lone 0 77 - 0 - HG2 MET 121 - HD3 LYS 65 lone 0 83 - 0 - HB2 LYS 44 - HD2 LYS 115 lone 0 70 - 0 - HB2 LYS 44 - HD3 LYS 115 lone 0 68 - 0 - Peak 6752 from cnoeabs.peaks (1.93, 1.66, 29.55 ppm; 2.80 A): 12 out of 80 assignments used, quality = 1.00: HB2 LYS 65 + HD2 LYS 65 OK 86 99 - 87 - 3.4=56, 2.9/4839=7...(47) HB3 LYS 65 + HD2 LYS 65 OK 86 99 - 87 - 3.4=56, 2.9/4839=7...(47) HB2 LYS 65 + HD3 LYS 65 OK 84 96 - 87 - 3.4=56, 2.9/4839=7...(47) HB3 LYS 65 + HD3 LYS 65 OK 83 96 - 87 - 3.4=56, 2.9/4839=7...(47) * HB3 LYS 115 + HD2 LYS 115 OK 77 100 - 77 - 3.7=43, 3.0/6736=5...(43) HB3 LYS 115 + HD3 LYS 115 OK 77 99 - 77 - 3.7=43, 3.0/6736=5...(43) HB2 LYS 115 + HD2 LYS 115 OK 76 98 - 77 - 3.7=43, 3.0/6736=5...(43) HB2 LYS 115 + HD3 LYS 115 OK 75 97 - 78 - 3.7=43, 3.0/6736=5...(43) HB2 LYS 65 + HD2 LYS 115 OK 47 100 - 47 - 2.9/4839=3, 3.0/4799=2...(16) HB3 LYS 65 + HD2 LYS 115 OK 47 100 - 47 - 2.9/4839=3, 3.0/4799=2...(16) HB2 LYS 65 + HD3 LYS 115 OK 47 99 - 47 - 2.9/4839=3, 3.0/4799=2...(16) HB3 LYS 65 + HD3 LYS 115 OK 47 99 - 47 - 2.9/4839=3, 3.0/4799=2...(16) HB3 LYS 115 - HD2 LYS 65 OK 35 99 - 36 - 3.0/6706=3, 6726=2...(11) HB3 LYS 115 - HD3 LYS 65 OK 35 96 - 36 - 3.0/6705=3, 6725=2...(11) HB2 LYS 115 - HD2 LYS 65 OK 34 96 - 36 - 3.0/6706=3, 6716=2...(11) HB2 LYS 115 - HD3 LYS 65 OK 33 93 - 36 - 3.0/6705=3, 6715=2...(11) HB VAL 104 - HD2 LYS 115 OK 11 87 - 13 - 10225/2.9=3, ~10227=2...(6) HB VAL 104 - HD3 LYS 115 OK 11 85 - 13 - 10225/2.9=3, ~10227=2...(6) HB2 LEU 81 - HD2 LYS 65 lone 6 75 - 8 - ~10805=2 HB2 LEU 81 - HD3 LYS 65 lone 6 70 - 8 - ~10805=2 HB2 LYS 123 - HD2 LYS 65 lone 4 99 - 4 - HB2 LYS 123 - HD3 LYS 65 lone 3 96 - 4 - HB2 LYS 123 - HD2 LYS 115 lone 3 100 - 3 - HB2 LYS 123 - HD3 LYS 115 lone 3 99 - 3 - HB VAL 104 - HD2 LYS 65 lone 3 85 - 3 - ~10981=1 HB VAL 104 - HD3 LYS 65 lone 2 80 - 3 - ~10981=1 HB3 LYS 17 - HD2 LYS 115 lone 2 87 - 2 - HB3 LYS 17 - HD3 LYS 115 lone 2 85 - 2 - HB2 LEU 81 - HD2 LYS 115 lone 2 77 - 2 - HB2 LEU 81 - HD3 LYS 115 lone 2 75 - 2 - HB2 LEU 70 - HD2 LYS 65 lone 1 94 - 2 - HB2 LEU 70 - HD3 LYS 65 lone 1 90 - 2 - HB3 LYS 40 - HD2 LYS 115 lone 1 90 - 1 - HB3 LYS 40 - HD3 LYS 115 lone 1 88 - 1 - HB3 LYS 40 - HD2 LYS 65 lone 1 87 - 1 - HB3 LYS 40 - HD3 LYS 65 lone 1 83 - 1 - HB2 LEU 70 - HD2 LYS 115 lone 1 96 - 1 - HB2 LEU 70 - HD3 LYS 115 lone 1 94 - 1 - HB2 LYS 39 - HD2 LYS 115 lone 1 100 - 1 - HB2 LYS 39 - HD3 LYS 115 lone 1 99 - 1 - HB2 LEU 127 - HD2 LYS 65 lone 1 99 - 1 - HB2 LYS 39 - HD2 LYS 65 lone 1 99 - 1 - HB2 LEU 127 - HD3 LYS 65 lone 1 96 - 1 - HB2 LYS 39 - HD3 LYS 65 lone 1 96 - 1 - HB3 LYS 39 - HD2 LYS 115 lone 1 81 - 1 - HB3 LYS 39 - HD3 LYS 115 lone 1 79 - 1 - HB3 LYS 17 - HD2 LYS 65 lone 1 85 - 1 - HB3 LYS 39 - HD2 LYS 65 lone 1 78 - 1 - HB3 LYS 17 - HD3 LYS 65 lone 1 80 - 1 - HB3 LYS 39 - HD3 LYS 65 lone 1 74 - 1 - HB3 GLU 41 - HD2 LYS 65 lone 0 75 - 0 - HB3 GLU 41 - HD2 LYS 115 lone 0 77 - 0 - HB2 GLU 41 - HD2 LYS 65 lone 0 71 - 0 - HB3 GLU 41 - HD3 LYS 115 lone 0 75 - 0 - HB2 LEU 127 - HD2 LYS 115 lone 0 100 - 0 - HB3 GLU 41 - HD3 LYS 65 lone 0 70 - 0 - HB2 GLU 41 - HD2 LYS 115 lone 0 73 - 0 - HB2 LEU 127 - HD3 LYS 115 lone 0 99 - 0 - HB VAL 29 - HD2 LYS 115 lone 0 61 - 1 - HB ILE 15 - HD2 LYS 115 lone 0 61 - 1 - HB VAL 29 - HD3 LYS 115 lone 0 60 - 1 - HB2 GLU 41 - HD3 LYS 115 lone 0 71 - 0 - HB ILE 15 - HD3 LYS 115 lone 0 60 - 1 - HB2 GLU 41 - HD3 LYS 65 lone 0 67 - 0 - HB VAL 29 - HD2 LYS 65 lone 0 59 - 0 - HB3 GLU 52 - HD2 LYS 65 lone 0 63 - 0 - HG2 MET 121 - HD2 LYS 115 lone 0 70 - 0 - HB VAL 29 - HD3 LYS 65 lone 0 55 - 0 - HG2 MET 121 - HD3 LYS 115 lone 0 68 - 0 - HB3 GLU 52 - HD3 LYS 65 lone 0 59 - 0 - HB3 GLU 52 - HD2 LYS 115 lone 0 65 - 0 - HB3 MET 42 - HD2 LYS 115 lone 0 73 - 0 - HB3 GLU 52 - HD3 LYS 115 lone 0 64 - 0 - HB3 MET 42 - HD3 LYS 115 lone 0 71 - 0 - HG2 MET 121 - HD2 LYS 65 lone 0 67 - 0 - HB ILE 15 - HD2 LYS 65 lone 0 59 - 0 - HB3 MET 42 - HD2 LYS 65 lone 0 71 - 0 - HG2 MET 121 - HD3 LYS 65 lone 0 63 - 0 - HB3 MET 42 - HD3 LYS 65 lone 0 67 - 0 - HB ILE 15 - HD3 LYS 65 lone 0 55 - 0 - Peak 6753 from cnoeabs.peaks (1.56, 1.66, 29.55 ppm; 2.40 A): 4 out of 44 assignments used, quality = 0.99: * HG2 LYS 115 + HD2 LYS 115 OK 73 100 - 73 - 2.9=56, 6736/1.8=6...(10) HG2 LYS 115 + HD3 LYS 115 OK 72 99 - 73 - 2.9=56, 6736/1.8=6...(10) HG2 LYS 65 + HD2 LYS 65 OK 64 85 - 76 - 3.0=53, 1.8/4839=7...(15) HG2 LYS 65 + HD3 LYS 65 OK 61 80 - 76 - 3.0=53, 1.8/4839=7...(15) HG2 LYS 65 - HD2 LYS 115 OK 27 87 - 31 - 1.8/4839=3, 4829=3...(9) HG2 LYS 65 - HD3 LYS 115 OK 26 85 - 31 - 1.8/4839=3, 4829=3...(9) HG2 LYS 115 - HD2 LYS 65 OK 22 99 - 22 - 6735=3, 6735/1.8=2...(4) HG2 LYS 115 - HD3 LYS 65 OK 21 96 - 22 - 6735=3, 6736/1.8=2...(4) HG2 LYS 123 - HD2 LYS 65 lone 3 78 - 3 - HG3 LYS 96 - HD2 LYS 65 lone 2 92 - 3 - HG2 LYS 123 - HD3 LYS 65 lone 2 74 - 3 - HG3 LYS 96 - HD3 LYS 65 lone 2 88 - 3 - HG2 LYS 123 - HD2 LYS 115 lone 2 81 - 2 - HG2 LYS 123 - HD3 LYS 115 lone 2 79 - 2 - HB3 LEU 70 - HD2 LYS 65 lone 1 92 - 1 - HB3 LEU 70 - HD3 LYS 65 lone 1 88 - 1 - HG3 LYS 96 - HD2 LYS 115 lone 1 94 - 1 - HG3 LYS 96 - HD3 LYS 115 lone 1 92 - 1 - HG12 ILE 3 - HD2 LYS 115 lone 1 100 - 1 - HG12 ILE 3 - HD3 LYS 115 lone 1 99 - 1 - HG LEU 55 - HD2 LYS 115 lone 1 99 - 1 - HG LEU 55 - HD3 LYS 115 lone 1 98 - 1 - HB3 LEU 70 - HD2 LYS 115 lone 1 94 - 1 - HB3 LEU 70 - HD3 LYS 115 lone 1 92 - 1 - QB ALA 46 - HD2 LYS 65 lone 1 87 - 1 - QB ALA 46 - HD3 LYS 65 lone 1 83 - 1 - HB VAL 78 - HD2 LYS 115 lone 0 99 - 0 - HG12 ILE 3 - HD2 LYS 65 lone 0 99 - 0 - HB VAL 78 - HD3 LYS 115 lone 0 98 - 0 - HD2 LYS 106 - HD2 LYS 115 lone 0 100 - 0 - HG12 ILE 3 - HD3 LYS 65 lone 0 96 - 0 - HD3 LYS 106 - HD2 LYS 115 lone 0 100 - 0 - HD2 LYS 106 - HD3 LYS 115 lone 0 99 - 0 - HD3 LYS 106 - HD3 LYS 115 lone 0 99 - 0 - HB VAL 78 - HD2 LYS 65 lone 0 98 - 0 - HG LEU 55 - HD2 LYS 65 lone 0 97 - 0 - HB VAL 78 - HD3 LYS 65 lone 0 95 - 0 - HG LEU 55 - HD3 LYS 65 lone 0 94 - 0 - HD2 LYS 106 - HD2 LYS 65 lone 0 99 - 0 - QB ALA 46 - HD2 LYS 115 lone 0 90 - 0 - HD3 LYS 106 - HD2 LYS 65 lone 0 99 - 0 - QB ALA 46 - HD3 LYS 115 lone 0 88 - 0 - HD2 LYS 106 - HD3 LYS 65 lone 0 96 - 0 - HD3 LYS 106 - HD3 LYS 65 lone 0 96 - 0 - Peak 6754 from cnoeabs.peaks (1.30, 1.66, 29.55 ppm; 3.07 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 115 + HD2 LYS 115 OK 100 100 - 100 - 2.9=100 HG3 LYS 115 + HD3 LYS 115 OK 99 99 - 100 - 2.9=100 Peak 6755 from cnoeabs.peaks (1.66, 1.66, 29.55 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD2 LYS 115 + HD2 LYS 115 OK 100 100 - 100 HD2 LYS 65 + HD2 LYS 65 OK 99 99 - 100 HD3 LYS 115 + HD3 LYS 115 OK 99 99 - 100 HD3 LYS 65 + HD3 LYS 65 OK 94 94 - 100 Peak 6756 from cnoeabs.peaks (1.66, 1.66, 29.55 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD2 LYS 115 + HD2 LYS 115 OK 100 100 - 100 HD3 LYS 115 + HD3 LYS 115 OK 99 99 - 100 HD2 LYS 65 + HD2 LYS 65 OK 97 97 - 100 HD3 LYS 65 + HD3 LYS 65 OK 90 90 - 100 Reference assignment not found: HD3 LYS 115 - HD2 LYS 115 Peak 6757 from cnoeabs.peaks (2.91, 1.66, 29.55 ppm; 2.69 A): 8 out of 56 assignments used, quality = 1.00: HE3 LYS 115 + HD2 LYS 115 OK 85 100 - 85 - 3.0=75, 6774/2.9=5...(25) * HE2 LYS 115 + HD2 LYS 115 OK 85 100 - 85 - 3.0=75, 6774/2.9=5...(25) HE2 LYS 115 + HD3 LYS 115 OK 85 99 - 85 - 3.0=75, 6774/2.9=5...(25) HE3 LYS 115 + HD3 LYS 115 OK 85 99 - 85 - 3.0=75, 6774/2.9=5...(25) HE2 LYS 65 + HD2 LYS 65 OK 83 95 - 87 - 3.0=74, 3.7/4839=5...(28) HE3 LYS 65 + HD2 LYS 65 OK 83 95 - 87 - 3.0=74, 3.7/4839=5...(28) HE3 LYS 65 + HD3 LYS 65 OK 79 91 - 87 - 3.0=74, 3.7/4839=5...(28) HE2 LYS 65 + HD3 LYS 65 OK 79 91 - 87 - 3.0=74, 3.7/4839=5...(28) HE3 LYS 115 - HD2 LYS 65 OK 29 99 - 29 - 4868/3.0=2, 6776=2...(7) HE2 LYS 115 - HD2 LYS 65 OK 29 99 - 29 - 4868/3.0=2, 6786=2...(7) HE3 LYS 115 - HD3 LYS 65 OK 28 96 - 29 - 4868/3.0=2, 6785=1...(7) HE2 LYS 115 - HD3 LYS 65 OK 28 96 - 29 - 4868/3.0=2, 6775=1...(7) HE3 LYS 65 - HD2 LYS 115 OK 20 97 - 21 - 3.7/4839=2, 6784/2.9=2...(5) HE2 LYS 65 - HD2 LYS 115 OK 20 97 - 21 - 3.7/4839=2, 6784/2.9=2...(5) HE3 LYS 65 - HD3 LYS 115 OK 20 96 - 21 - 3.7/4839=2, 6784/2.9=2...(5) HE2 LYS 65 - HD3 LYS 115 OK 20 96 - 21 - 3.7/4839=2, 6784/2.9=2...(5) HE2 LYS 16 - HD2 LYS 115 lone 4 100 - 4 - HE3 LYS 16 - HD2 LYS 115 lone 4 100 - 4 - HE2 LYS 16 - HD3 LYS 115 lone 4 99 - 4 - HE3 LYS 16 - HD3 LYS 115 lone 4 99 - 4 - HE2 LYS 16 - HD2 LYS 65 lone 3 99 - 3 - HE3 LYS 16 - HD2 LYS 65 lone 3 99 - 3 - HE2 LYS 16 - HD3 LYS 65 lone 3 96 - 3 - HE3 LYS 16 - HD3 LYS 65 lone 3 96 - 3 - HE3 LYS 94 - HD3 LYS 65 lone 2 90 - 3 - HE3 LYS 94 - HD2 LYS 65 lone 2 94 - 2 - HE3 LYS 94 - HD2 LYS 115 lone 1 96 - 1 - HE3 LYS 94 - HD3 LYS 115 lone 1 94 - 1 - HE3 LYS 17 - HD2 LYS 115 lone 1 94 - 1 - HE3 LYS 17 - HD3 LYS 115 lone 1 92 - 1 - HE3 LYS 17 - HD2 LYS 65 lone 1 92 - 1 - HE3 LYS 17 - HD3 LYS 65 lone 1 88 - 1 - HB2 ASN 33 - HD2 LYS 115 lone 0 100 - 0 - HB2 ASP 34 - HD2 LYS 115 lone 0 100 - 0 - HB2 ASN 33 - HD3 LYS 115 lone 0 99 - 0 - HB2 ASP 34 - HD3 LYS 115 lone 0 99 - 0 - HB2 ASP 34 - HD2 LYS 65 lone 0 99 - 0 - HB2 ASP 34 - HD3 LYS 65 lone 0 96 - 0 - HB2 ASN 33 - HD2 LYS 65 lone 0 99 - 0 - HB2 ASN 33 - HD3 LYS 65 lone 0 96 - 0 - HB3 ASN 88 - HD2 LYS 65 lone 0 98 - 0 - HB3 ASN 88 - HD2 LYS 115 lone 0 99 - 0 - HB3 ASN 88 - HD3 LYS 115 lone 0 98 - 0 - HB3 ASN 88 - HD3 LYS 65 lone 0 95 - 0 - HB2 ASN 8 - HD2 LYS 65 lone 0 63 - 0 - HB2 ASN 10 - HD2 LYS 115 lone 0 100 - 0 - HB2 ASN 8 - HD3 LYS 65 lone 0 59 - 0 - HB2 ASN 10 - HD3 LYS 115 lone 0 99 - 0 - HB2 ASN 10 - HD2 LYS 65 lone 0 99 - 0 - HB2 ASN 10 - HD3 LYS 65 lone 0 95 - 0 - HB2 ASN 8 - HD2 LYS 115 lone 0 65 - 0 - HB2 ASN 8 - HD3 LYS 115 lone 0 64 - 0 - HB2 ASP 86 - HD2 LYS 65 lone 0 63 - 0 - HB2 ASP 86 - HD2 LYS 115 lone 0 65 - 0 - HB2 ASP 86 - HD3 LYS 115 lone 0 64 - 0 - HB2 ASP 86 - HD3 LYS 65 lone 0 59 - 0 - Peak 6758 from cnoeabs.peaks (2.91, 1.66, 29.55 ppm; 2.69 A): 8 out of 56 assignments used, quality = 1.00: * HE3 LYS 115 + HD2 LYS 115 OK 85 100 - 85 - 3.0=75, 6774/2.9=5...(25) HE2 LYS 115 + HD2 LYS 115 OK 85 100 - 85 - 3.0=75, 6774/2.9=5...(25) HE2 LYS 115 + HD3 LYS 115 OK 85 99 - 85 - 3.0=75, 6774/2.9=5...(25) HE3 LYS 115 + HD3 LYS 115 OK 85 99 - 85 - 3.0=75, 6774/2.9=5...(25) HE2 LYS 65 + HD2 LYS 65 OK 83 95 - 87 - 3.0=74, 3.7/4839=5...(28) HE3 LYS 65 + HD2 LYS 65 OK 83 95 - 87 - 3.0=74, 3.7/4839=5...(28) HE3 LYS 65 + HD3 LYS 65 OK 79 91 - 87 - 3.0=74, 3.7/4839=5...(28) HE2 LYS 65 + HD3 LYS 65 OK 79 91 - 87 - 3.0=74, 3.7/4839=5...(28) HE3 LYS 115 - HD2 LYS 65 OK 29 99 - 29 - 4868/3.0=2, 6776=2...(7) HE2 LYS 115 - HD2 LYS 65 OK 29 99 - 29 - 4868/3.0=2, 6786=2...(7) HE3 LYS 115 - HD3 LYS 65 OK 28 96 - 29 - 4868/3.0=2, 6785=1...(7) HE2 LYS 115 - HD3 LYS 65 OK 28 96 - 29 - 4868/3.0=2, 6775=1...(7) HE3 LYS 65 - HD2 LYS 115 OK 20 97 - 21 - 3.7/4839=2, 6784/2.9=2...(5) HE2 LYS 65 - HD2 LYS 115 OK 20 97 - 21 - 3.7/4839=2, 6784/2.9=2...(5) HE3 LYS 65 - HD3 LYS 115 OK 20 96 - 21 - 3.7/4839=2, 6784/2.9=2...(5) HE2 LYS 65 - HD3 LYS 115 OK 20 96 - 21 - 3.7/4839=2, 6784/2.9=2...(5) HE2 LYS 16 - HD2 LYS 115 lone 4 100 - 4 - HE3 LYS 16 - HD2 LYS 115 lone 4 100 - 4 - HE2 LYS 16 - HD3 LYS 115 lone 4 99 - 4 - HE3 LYS 16 - HD3 LYS 115 lone 4 99 - 4 - HE2 LYS 16 - HD2 LYS 65 lone 3 99 - 3 - HE3 LYS 16 - HD2 LYS 65 lone 3 99 - 3 - HE2 LYS 16 - HD3 LYS 65 lone 3 96 - 3 - HE3 LYS 16 - HD3 LYS 65 lone 3 96 - 3 - HE3 LYS 94 - HD3 LYS 65 lone 2 90 - 3 - HE3 LYS 94 - HD2 LYS 65 lone 2 94 - 2 - HE3 LYS 94 - HD2 LYS 115 lone 1 96 - 1 - HE3 LYS 94 - HD3 LYS 115 lone 1 94 - 1 - HE3 LYS 17 - HD2 LYS 115 lone 1 94 - 1 - HE3 LYS 17 - HD3 LYS 115 lone 1 92 - 1 - HE3 LYS 17 - HD2 LYS 65 lone 1 92 - 1 - HE3 LYS 17 - HD3 LYS 65 lone 1 88 - 1 - HB2 ASN 33 - HD2 LYS 115 lone 0 100 - 0 - HB2 ASP 34 - HD2 LYS 115 lone 0 100 - 0 - HB2 ASN 33 - HD3 LYS 115 lone 0 99 - 0 - HB2 ASP 34 - HD3 LYS 115 lone 0 99 - 0 - HB2 ASP 34 - HD2 LYS 65 lone 0 99 - 0 - HB2 ASP 34 - HD3 LYS 65 lone 0 96 - 0 - HB2 ASN 33 - HD2 LYS 65 lone 0 99 - 0 - HB2 ASN 33 - HD3 LYS 65 lone 0 96 - 0 - HB3 ASN 88 - HD2 LYS 65 lone 0 98 - 0 - HB3 ASN 88 - HD2 LYS 115 lone 0 99 - 0 - HB3 ASN 88 - HD3 LYS 115 lone 0 98 - 0 - HB3 ASN 88 - HD3 LYS 65 lone 0 95 - 0 - HB2 ASN 8 - HD2 LYS 65 lone 0 63 - 0 - HB2 ASN 10 - HD2 LYS 115 lone 0 100 - 0 - HB2 ASN 8 - HD3 LYS 65 lone 0 59 - 0 - HB2 ASN 10 - HD3 LYS 115 lone 0 99 - 0 - HB2 ASN 10 - HD2 LYS 65 lone 0 99 - 0 - HB2 ASN 10 - HD3 LYS 65 lone 0 95 - 0 - HB2 ASN 8 - HD2 LYS 115 lone 0 65 - 0 - HB2 ASN 8 - HD3 LYS 115 lone 0 64 - 0 - HB2 ASP 86 - HD2 LYS 65 lone 0 63 - 0 - HB2 ASP 86 - HD2 LYS 115 lone 0 65 - 0 - HB2 ASP 86 - HD3 LYS 115 lone 0 64 - 0 - HB2 ASP 86 - HD3 LYS 65 lone 0 59 - 0 - Peak 6759 from cnoeabs.peaks (7.62, 1.66, 29.55 ppm; 4.03 A): 4 out of 44 assignments used, quality = 0.99: * H LYS 115 + HD3 LYS 115 OK 84 100 - 84 - 6.0=30, 1754/2.9=23...(24) H LYS 115 + HD2 LYS 115 OK 83 99 - 84 - 6.0=30, 1754/2.9=23...(24) H LYS 115 + HD2 LYS 65 OK 55 96 - 58 - 1753/3.0=8, 1756=7...(25) H LYS 115 + HD3 LYS 65 OK 51 89 - 58 - 1753/3.0=8, 1755=7...(25) H LEU 64 - HD2 LYS 65 OK 19 88 - 21 - 1907/6.1=7, 8129/4.8=5...(7) H LEU 64 - HD3 LYS 65 OK 17 79 - 21 - 1907/6.1=7, 8129/4.8=5...(7) H GLN 100 - HD3 LYS 115 OK 12 98 - 12 - 6739/2.9=3, 6729/2.9=2 H GLN 100 - HD2 LYS 115 OK 11 97 - 12 - 6739/2.9=3, 6729/2.9=2 HE21 GLN 85 - HD3 LYS 115 OK 11 97 - 11 - ~11595=2, 1.7/11595=2...(6) HE21 GLN 85 - HD2 LYS 115 OK 11 96 - 11 - 1.7/11595=2, ~11595=2...(6) H GLU 69 - HD2 LYS 65 OK 10 85 - 12 - 8129/4.8=5, 391/6.1=2 H LEU 64 - HD3 LYS 115 lone 9 94 - 10 - 4.6/1428=3, 6729/2.9=1 H GLU 69 - HD3 LYS 65 poor 9 77 - 12 - 8129/4.8=5, 391/6.1=2 H LEU 64 - HD2 LYS 115 lone 9 92 - 10 - 4.6/1428=3, 6729/2.9=1 HE21 GLN 85 - HD2 LYS 65 lone 8 91 - 9 - 1.7/11595=2, ~11595=2...(4) HE21 GLN 85 - HD3 LYS 65 lone 7 83 - 9 - 1.7/11595=2, ~11595=2...(4) H GLU 69 - HD3 LYS 115 lone 4 92 - 4 - H GLU 69 - HD2 LYS 115 lone 4 90 - 4 - H GLN 100 - HD2 LYS 65 lone 3 93 - 4 - H ASP 34 - HD3 LYS 115 lone 3 100 - 3 - H ASP 34 - HD2 LYS 115 lone 3 99 - 3 - H GLN 100 - HD3 LYS 65 lone 3 85 - 4 - HD21 ASN 50 - HD3 LYS 115 lone 3 73 - 4 - 5.7/11596=1 HD21 ASN 50 - HD2 LYS 115 lone 3 71 - 4 - 5.7/11596=1 H LYS 16 - HD3 LYS 115 lone 3 84 - 3 - H LYS 16 - HD2 LYS 115 lone 3 82 - 3 - H ASP 34 - HD2 LYS 65 lone 2 96 - 2 - H ASP 34 - HD3 LYS 65 lone 2 89 - 2 - H LEU 74 - HD3 LYS 115 lone 2 96 - 2 - HD21 ASN 50 - HD2 LYS 65 lone 2 67 - 3 - H LEU 74 - HD2 LYS 115 lone 2 94 - 2 - HE ARG 105 - HD3 LYS 115 lone 2 65 - 3 - 6.8/11596=1 HE ARG 105 - HD2 LYS 115 lone 2 64 - 3 - 6.8/11596=2 HD21 ASN 50 - HD3 LYS 65 lone 2 59 - 3 - H LEU 74 - HD2 LYS 65 lone 1 90 - 2 - H ALA 46 - HD2 LYS 65 lone 1 52 - 3 - H LEU 74 - HD3 LYS 65 lone 1 81 - 2 - H LYS 16 - HD2 LYS 65 lone 1 77 - 2 - H ALA 46 - HD3 LYS 65 lone 1 45 - 3 - H LYS 16 - HD3 LYS 65 lone 1 69 - 2 - H ALA 46 - HD3 LYS 115 lone 1 57 - 1 - H ALA 46 - HD2 LYS 115 lone 1 56 - 1 - HE ARG 105 - HD2 LYS 65 lone 1 59 - 1 - HE ARG 105 - HD3 LYS 65 lone 0 52 - 1 - Peak 6760 from cnoeabs.peaks (3.80, 1.66, 29.55 ppm; 3.86 A): 8 out of 16 assignments used, quality = 1.00: * HA LYS 115 + HD3 LYS 115 OK 91 100 - 91 - 4.9=48, 6703/2.9=18...(46) HA LYS 115 + HD2 LYS 115 OK 91 99 - 91 - 4.9=48, 6703/2.9=18...(46) HA LYS 65 + HD2 LYS 65 OK 85 93 - 92 - 4.8=53, 4797/3.0=19...(43) HA LYS 65 + HD3 LYS 65 OK 78 85 - 92 - 4.8=53, 4797/3.0=19...(43) HA LYS 115 + HD2 LYS 65 OK 60 96 - 62 - 6703/3.0=8, 6706=8...(26) HA LYS 65 + HD3 LYS 115 OK 57 98 - 58 - 4797/2.9=7, 4799=7...(19) HA LYS 65 + HD2 LYS 115 OK 56 97 - 58 - 4797/2.9=7, 4799=7...(19) HA LYS 115 + HD3 LYS 65 OK 55 89 - 62 - 6703/3.0=8, 6705=8...(26) HA ALA 113 - HD2 LYS 115 lone 9 99 - 9 - 3.6/1746=3, 8251/7893=2 HA ALA 113 - HD3 LYS 115 lone 9 100 - 9 - 3.6/1746=3, 8251/7893=2 HA ALA 113 - HD2 LYS 65 lone 4 96 - 4 - 3.6/1746=1 HA ALA 113 - HD3 LYS 65 lone 4 89 - 4 - 3.6/1746=1 HA2 GLY 26 - HD3 LYS 115 lone 2 77 - 3 - HA2 GLY 26 - HD2 LYS 115 lone 2 75 - 3 - HA2 GLY 26 - HD2 LYS 65 lone 1 70 - 1 - HA2 GLY 26 - HD3 LYS 65 lone 1 63 - 1 - Peak 6761 from cnoeabs.peaks (1.93, 1.66, 29.55 ppm; 2.80 A): 12 out of 64 assignments used, quality = 1.00: HB3 LYS 65 + HD2 LYS 65 OK 81 94 - 87 - 3.4=56, 2.9/4839=7...(47) HB2 LYS 65 + HD2 LYS 65 OK 80 93 - 87 - 3.4=56, 2.9/4839=7...(47) * HB2 LYS 115 + HD3 LYS 115 OK 78 100 - 78 - 3.7=43, 3.0/6736=5...(43) HB2 LYS 115 + HD2 LYS 115 OK 77 99 - 78 - 3.7=43, 3.0/6736=5...(43) HB3 LYS 115 + HD3 LYS 115 OK 76 98 - 78 - 3.7=43, 3.0/6736=5...(43) HB3 LYS 115 + HD2 LYS 115 OK 75 97 - 77 - 3.7=43, 3.0/6736=5...(43) HB3 LYS 65 + HD3 LYS 65 OK 75 86 - 87 - 3.4=56, 2.9/4839=7...(47) HB2 LYS 65 + HD3 LYS 65 OK 73 85 - 87 - 3.4=56, 2.9/4839=7...(47) HB3 LYS 65 + HD3 LYS 115 OK 46 99 - 47 - 2.9/4839=3, 3.0/4799=2...(18) HB2 LYS 65 + HD3 LYS 115 OK 46 98 - 47 - 2.9/4839=3, 3.0/4799=2...(15) HB3 LYS 65 + HD2 LYS 115 OK 46 98 - 47 - 2.9/4839=3, 3.0/4799=2...(18) HB2 LYS 65 + HD2 LYS 115 OK 45 97 - 47 - 2.9/4839=3, 3.0/4799=2...(15) HB2 LYS 115 - HD2 LYS 65 OK 34 96 - 36 - 3.0/6706=3, 6716=2...(11) HB3 LYS 115 - HD2 LYS 65 OK 33 93 - 36 - 3.0/6706=3, 4.0/1756=2...(11) HB2 LYS 115 - HD3 LYS 65 OK 32 89 - 36 - 3.0/6705=2, 6715=2...(11) HB3 LYS 115 - HD3 LYS 65 OK 30 85 - 36 - 3.0/6705=2, 4.0/1755=2...(11) HB VAL 104 - HD3 LYS 115 poor 7 65 - 11 - ~10227=2, 10225/2.9=2...(6) HB2 LEU 81 - HD2 LYS 65 lone 7 88 - 8 - ~10805=2 HB VAL 104 - HD2 LYS 115 poor 7 64 - 11 - ~10227=2, 10225/2.9=2...(6) HB2 LEU 81 - HD3 LYS 65 lone 5 79 - 7 - ~10805=2 HB2 LYS 123 - HD2 LYS 65 lone 3 93 - 4 - HB2 LYS 123 - HD3 LYS 65 lone 3 85 - 4 - HB2 LYS 123 - HD3 LYS 115 lone 3 98 - 3 - HB2 LYS 123 - HD2 LYS 115 lone 3 97 - 3 - HB3 LYS 123 - HD3 LYS 115 lone 3 81 - 3 - HB3 LYS 123 - HD2 LYS 65 lone 3 74 - 3 - HB3 LYS 123 - HD2 LYS 115 lone 2 79 - 3 - HB3 LYS 123 - HD3 LYS 65 lone 2 66 - 3 - HB3 LYS 17 - HD3 LYS 115 lone 2 98 - 2 - HB3 LYS 17 - HD2 LYS 115 lone 2 97 - 2 - HB2 LEU 81 - HD3 LYS 115 lone 2 94 - 2 - HB2 LEU 81 - HD2 LYS 115 lone 2 92 - 2 - HB VAL 104 - HD2 LYS 65 lone 2 59 - 3 - ~10981=1 HB VAL 104 - HD3 LYS 65 lone 1 52 - 3 - ~10981=1 HB2 LEU 70 - HD2 LYS 65 lone 1 74 - 2 - HB2 LEU 70 - HD3 LYS 65 lone 1 66 - 2 - HB3 LYS 40 - HD3 LYS 115 lone 1 70 - 1 - HB3 LYS 40 - HD2 LYS 115 lone 1 68 - 1 - HB2 LYS 39 - HD3 LYS 115 lone 1 98 - 1 - HB2 LYS 39 - HD2 LYS 115 lone 1 97 - 1 - HB3 LYS 17 - HD2 LYS 65 lone 1 93 - 1 - HB2 LEU 127 - HD2 LYS 65 lone 1 94 - 1 - HB2 LEU 70 - HD3 LYS 115 lone 1 81 - 1 - HB2 LYS 39 - HD2 LYS 65 lone 1 93 - 1 - HB2 LEU 70 - HD2 LYS 115 lone 1 79 - 1 - HB ILE 15 - HD3 LYS 115 lone 1 84 - 1 - HB3 LYS 17 - HD3 LYS 65 lone 1 85 - 1 - HB ILE 15 - HD2 LYS 115 lone 1 82 - 1 - HB2 LYS 44 - HD2 LYS 65 lone 1 63 - 1 - HB3 LYS 40 - HD2 LYS 65 lone 1 63 - 1 - HB2 LEU 127 - HD3 LYS 65 lone 1 86 - 1 - HB2 LYS 39 - HD3 LYS 65 lone 1 85 - 1 - HB2 LYS 44 - HD3 LYS 65 lone 1 56 - 1 - HB3 LYS 40 - HD3 LYS 65 lone 1 56 - 1 - HB2 LEU 127 - HD3 LYS 115 lone 0 99 - 0 - HB2 LEU 127 - HD2 LYS 115 lone 0 98 - 0 - HG2 MET 121 - HD3 LYS 115 lone 0 90 - 0 - HG2 MET 121 - HD2 LYS 115 lone 0 88 - 0 - HB ILE 15 - HD2 LYS 65 lone 0 77 - 0 - HG2 MET 121 - HD2 LYS 65 lone 0 83 - 0 - HB ILE 15 - HD3 LYS 65 lone 0 69 - 0 - HG2 MET 121 - HD3 LYS 65 lone 0 74 - 0 - HB2 LYS 44 - HD3 LYS 115 lone 0 70 - 0 - HB2 LYS 44 - HD2 LYS 115 lone 0 68 - 0 - Peak 6762 from cnoeabs.peaks (1.93, 1.66, 29.55 ppm; 2.80 A): 12 out of 80 assignments used, quality = 1.00: HB2 LYS 65 + HD2 LYS 65 OK 83 96 - 87 - 3.4=56, 2.9/4839=7...(47) HB3 LYS 65 + HD2 LYS 65 OK 83 96 - 87 - 3.4=56, 2.9/4839=7...(47) * HB3 LYS 115 + HD3 LYS 115 OK 78 100 - 77 - 3.7=43, 3.0/6736=5...(43) HB2 LYS 65 + HD3 LYS 65 OK 77 89 - 87 - 3.4=56, 2.9/4839=7...(47) HB3 LYS 65 + HD3 LYS 65 OK 77 89 - 87 - 3.4=56, 2.9/4839=7...(47) HB3 LYS 115 + HD2 LYS 115 OK 77 99 - 77 - 3.7=43, 3.0/6736=5...(43) HB2 LYS 115 + HD3 LYS 115 OK 76 98 - 78 - 3.7=43, 3.0/6736=5...(43) HB2 LYS 115 + HD2 LYS 115 OK 75 97 - 77 - 3.7=43, 3.0/6736=5...(43) HB2 LYS 65 + HD3 LYS 115 OK 47 100 - 47 - 2.9/4839=3, 3.0/4799=2...(16) HB3 LYS 65 + HD3 LYS 115 OK 47 100 - 47 - 2.9/4839=3, 3.0/4799=2...(16) HB2 LYS 65 + HD2 LYS 115 OK 46 99 - 47 - 2.9/4839=3, 3.0/4799=2...(16) HB3 LYS 65 + HD2 LYS 115 OK 46 99 - 47 - 2.9/4839=3, 3.0/4799=2...(16) HB3 LYS 115 - HD2 LYS 65 OK 34 96 - 36 - 3.0/6706=3, 6726=2...(11) HB2 LYS 115 - HD2 LYS 65 OK 33 93 - 36 - 3.0/6706=3, 6716=2...(11) HB3 LYS 115 - HD3 LYS 65 OK 32 89 - 36 - 3.0/6705=2, 6725=2...(11) HB2 LYS 115 - HD3 LYS 65 OK 30 85 - 36 - 3.0/6705=2, 6715=2...(11) HB VAL 104 - HD3 LYS 115 OK 11 87 - 12 - 10225/2.9=3, ~10227=2...(6) HB VAL 104 - HD2 LYS 115 OK 11 85 - 13 - 10225/2.9=3, ~10227=2...(6) HB2 LEU 81 - HD2 LYS 65 lone 6 70 - 8 - ~10805=2 HB2 LEU 81 - HD3 LYS 65 lone 4 63 - 7 - ~10805=2 HB2 LYS 123 - HD2 LYS 65 lone 3 96 - 4 - HB2 LYS 123 - HD3 LYS 65 lone 3 89 - 4 - HB2 LYS 123 - HD3 LYS 115 lone 3 100 - 3 - HB2 LYS 123 - HD2 LYS 115 lone 3 99 - 3 - HB VAL 104 - HD2 LYS 65 lone 2 80 - 3 - ~10981=1 HB VAL 104 - HD3 LYS 65 lone 2 72 - 3 - ~10981=1 HB3 LYS 17 - HD3 LYS 115 lone 2 87 - 2 - HB3 LYS 17 - HD2 LYS 115 lone 2 85 - 2 - HB2 LEU 81 - HD3 LYS 115 lone 2 77 - 2 - HB2 LEU 81 - HD2 LYS 115 lone 2 75 - 2 - HB2 LEU 70 - HD2 LYS 65 lone 1 90 - 2 - HB2 LEU 70 - HD3 LYS 65 lone 1 81 - 2 - HB3 LYS 40 - HD3 LYS 115 lone 1 90 - 1 - HB3 LYS 40 - HD2 LYS 115 lone 1 88 - 1 - HB3 LYS 40 - HD2 LYS 65 lone 1 83 - 1 - HB2 LEU 70 - HD3 LYS 115 lone 1 96 - 1 - HB2 LEU 70 - HD2 LYS 115 lone 1 94 - 1 - HB2 LYS 39 - HD3 LYS 115 lone 1 100 - 1 - HB2 LYS 39 - HD2 LYS 115 lone 1 99 - 1 - HB3 LYS 40 - HD3 LYS 65 lone 1 74 - 1 - HB2 LEU 127 - HD2 LYS 65 lone 1 96 - 1 - HB2 LYS 39 - HD2 LYS 65 lone 1 96 - 1 - HB3 LYS 39 - HD3 LYS 115 lone 1 81 - 1 - HB3 LYS 39 - HD2 LYS 115 lone 1 79 - 1 - HB2 LEU 127 - HD3 LYS 65 lone 1 89 - 1 - HB2 LYS 39 - HD3 LYS 65 lone 1 89 - 1 - HB3 LYS 17 - HD2 LYS 65 lone 1 80 - 1 - HB3 LYS 39 - HD2 LYS 65 lone 1 74 - 1 - HB3 LYS 39 - HD3 LYS 65 lone 0 66 - 1 - HB3 LYS 17 - HD3 LYS 65 lone 0 72 - 1 - HB3 GLU 41 - HD3 LYS 115 lone 0 77 - 0 - HB3 GLU 41 - HD2 LYS 115 lone 0 75 - 0 - HB2 LEU 127 - HD3 LYS 115 lone 0 100 - 0 - HB2 LEU 127 - HD2 LYS 115 lone 0 99 - 0 - HB3 GLU 41 - HD2 LYS 65 lone 0 70 - 0 - HB VAL 29 - HD3 LYS 115 lone 0 61 - 1 - HB ILE 15 - HD3 LYS 115 lone 0 61 - 1 - HB2 GLU 41 - HD3 LYS 115 lone 0 73 - 0 - HB VAL 29 - HD2 LYS 115 lone 0 60 - 1 - HB ILE 15 - HD2 LYS 115 lone 0 60 - 1 - HB2 GLU 41 - HD2 LYS 115 lone 0 71 - 0 - HB2 GLU 41 - HD2 LYS 65 lone 0 67 - 0 - HB3 GLU 41 - HD3 LYS 65 lone 0 63 - 0 - HB2 GLU 41 - HD3 LYS 65 lone 0 59 - 0 - HG2 MET 121 - HD3 LYS 115 lone 0 70 - 0 - HG2 MET 121 - HD2 LYS 115 lone 0 68 - 0 - HB VAL 29 - HD2 LYS 65 lone 0 55 - 0 - HB3 GLU 52 - HD2 LYS 65 lone 0 59 - 0 - HB3 GLU 52 - HD3 LYS 115 lone 0 65 - 0 - HB3 MET 42 - HD3 LYS 115 lone 0 73 - 0 - HB3 GLU 52 - HD2 LYS 115 lone 0 64 - 0 - HB3 MET 42 - HD2 LYS 115 lone 0 71 - 0 - HB VAL 29 - HD3 LYS 65 lone 0 49 - 0 - HB3 GLU 52 - HD3 LYS 65 lone 0 52 - 0 - HG2 MET 121 - HD2 LYS 65 lone 0 63 - 0 - HB ILE 15 - HD2 LYS 65 lone 0 55 - 0 - HB3 MET 42 - HD2 LYS 65 lone 0 67 - 0 - HG2 MET 121 - HD3 LYS 65 lone 0 56 - 0 - HB3 MET 42 - HD3 LYS 65 lone 0 59 - 0 - HB ILE 15 - HD3 LYS 65 lone 0 49 - 0 - Peak 6763 from cnoeabs.peaks (1.56, 1.66, 29.55 ppm; 2.40 A): 4 out of 44 assignments used, quality = 0.99: * HG2 LYS 115 + HD3 LYS 115 OK 73 100 - 73 - 2.9=56, 6736/1.8=6...(10) HG2 LYS 115 + HD2 LYS 115 OK 72 99 - 73 - 2.9=56, 6736/1.8=6...(10) HG2 LYS 65 + HD2 LYS 65 OK 61 80 - 76 - 3.0=53, 1.8/4839=7...(15) HG2 LYS 65 + HD3 LYS 65 OK 54 72 - 76 - 3.0=53, 1.8/4839=7...(15) HG2 LYS 65 - HD3 LYS 115 OK 27 87 - 31 - 1.8/4839=3, 4829=3...(9) HG2 LYS 65 - HD2 LYS 115 OK 26 85 - 31 - 1.8/4839=3, 4829=3...(9) HG2 LYS 115 - HD2 LYS 65 OK 21 96 - 22 - 6736=3, 6735/1.8=2...(4) HG2 LYS 115 - HD3 LYS 65 OK 20 89 - 22 - 6735=3, 6736/1.8=2...(4) HG2 LYS 123 - HD2 LYS 65 lone 2 74 - 3 - HG3 LYS 96 - HD2 LYS 65 lone 2 88 - 3 - HG3 LYS 96 - HD3 LYS 65 lone 2 79 - 3 - HG2 LYS 123 - HD3 LYS 65 lone 2 66 - 3 - HG2 LYS 123 - HD3 LYS 115 lone 2 81 - 2 - HG2 LYS 123 - HD2 LYS 115 lone 2 79 - 2 - HB3 LEU 70 - HD2 LYS 65 lone 1 88 - 1 - HG3 LYS 96 - HD3 LYS 115 lone 1 94 - 1 - HG3 LYS 96 - HD2 LYS 115 lone 1 92 - 1 - HB3 LEU 70 - HD3 LYS 65 lone 1 79 - 1 - HG12 ILE 3 - HD3 LYS 115 lone 1 100 - 1 - HG12 ILE 3 - HD2 LYS 115 lone 1 99 - 1 - HG LEU 55 - HD3 LYS 115 lone 1 99 - 1 - HG LEU 55 - HD2 LYS 115 lone 1 98 - 1 - HB3 LEU 70 - HD3 LYS 115 lone 1 94 - 1 - HB3 LEU 70 - HD2 LYS 115 lone 1 92 - 1 - QB ALA 46 - HD2 LYS 65 lone 1 83 - 1 - HB VAL 78 - HD2 LYS 115 lone 0 98 - 0 - HB VAL 78 - HD3 LYS 115 lone 0 99 - 0 - HD2 LYS 106 - HD3 LYS 115 lone 0 100 - 0 - HG12 ILE 3 - HD2 LYS 65 lone 0 96 - 0 - HD3 LYS 106 - HD3 LYS 115 lone 0 100 - 0 - HD2 LYS 106 - HD2 LYS 115 lone 0 99 - 0 - HD3 LYS 106 - HD2 LYS 115 lone 0 99 - 0 - QB ALA 46 - HD3 LYS 65 lone 0 74 - 1 - HG12 ILE 3 - HD3 LYS 65 lone 0 89 - 0 - HB VAL 78 - HD2 LYS 65 lone 0 95 - 0 - HG LEU 55 - HD2 LYS 65 lone 0 94 - 0 - QB ALA 46 - HD3 LYS 115 lone 0 90 - 0 - HB VAL 78 - HD3 LYS 65 lone 0 87 - 0 - HG LEU 55 - HD3 LYS 65 lone 0 86 - 0 - QB ALA 46 - HD2 LYS 115 lone 0 88 - 0 - HD2 LYS 106 - HD2 LYS 65 lone 0 96 - 0 - HD3 LYS 106 - HD2 LYS 65 lone 0 96 - 0 - HD2 LYS 106 - HD3 LYS 65 lone 0 89 - 0 - HD3 LYS 106 - HD3 LYS 65 lone 0 89 - 0 - Peak 6764 from cnoeabs.peaks (1.30, 1.66, 29.55 ppm; 3.07 A): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 115 + HD3 LYS 115 OK 100 100 - 100 - 2.9=100 HG3 LYS 115 + HD2 LYS 115 OK 99 99 - 100 - 2.9=100 Peak 6765 from cnoeabs.peaks (1.66, 1.66, 29.55 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HD3 LYS 115 + HD3 LYS 115 OK 100 100 - 100 HD2 LYS 115 + HD2 LYS 115 OK 99 99 - 100 HD2 LYS 65 + HD2 LYS 65 OK 96 96 - 100 HD3 LYS 65 + HD3 LYS 65 OK 86 86 - 100 Reference assignment not found: HD2 LYS 115 - HD3 LYS 115 Peak 6766 from cnoeabs.peaks (1.66, 1.66, 29.55 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HD3 LYS 115 + HD3 LYS 115 OK 100 100 - 100 HD2 LYS 115 + HD2 LYS 115 OK 99 99 - 100 HD2 LYS 65 + HD2 LYS 65 OK 94 94 - 100 HD3 LYS 65 + HD3 LYS 65 OK 81 81 - 100 Peak 6767 from cnoeabs.peaks (2.91, 1.66, 29.55 ppm; 2.69 A): 8 out of 56 assignments used, quality = 1.00: * HE2 LYS 115 + HD3 LYS 115 OK 85 100 - 85 - 3.0=75, 6774/2.9=5...(25) HE3 LYS 115 + HD3 LYS 115 OK 85 100 - 85 - 3.0=75, 6774/2.9=5...(25) HE2 LYS 115 + HD2 LYS 115 OK 85 99 - 85 - 3.0=75, 6774/2.9=5...(25) HE3 LYS 115 + HD2 LYS 115 OK 85 99 - 85 - 3.0=75, 6774/2.9=5...(25) HE3 LYS 65 + HD2 LYS 65 OK 79 91 - 87 - 3.0=74, 3.7/4839=5...(28) HE2 LYS 65 + HD2 LYS 65 OK 79 91 - 87 - 3.0=74, 3.7/4839=5...(28) HE2 LYS 65 + HD3 LYS 65 OK 72 83 - 87 - 3.0=74, 3.7/4839=5...(28) HE3 LYS 65 + HD3 LYS 65 OK 72 83 - 87 - 3.0=74, 3.7/4839=5...(28) HE3 LYS 115 - HD2 LYS 65 OK 28 96 - 29 - 4868/3.0=2, 6776=2...(7) HE2 LYS 115 - HD2 LYS 65 OK 28 96 - 29 - 4868/3.0=2, 6776=2...(7) HE3 LYS 115 - HD3 LYS 65 OK 26 89 - 29 - 4868/3.0=2, 6785=1...(7) HE2 LYS 115 - HD3 LYS 65 OK 26 89 - 29 - 4868/3.0=2, 6775=1...(7) HE3 LYS 65 - HD3 LYS 115 OK 20 97 - 21 - 3.7/4839=2, 6784/2.9=2...(5) HE2 LYS 65 - HD3 LYS 115 OK 20 97 - 21 - 3.7/4839=2, 6784/2.9=2...(5) HE2 LYS 65 - HD2 LYS 115 OK 20 96 - 21 - 3.7/4839=2, 6784/2.9=2...(4) HE3 LYS 65 - HD2 LYS 115 OK 20 96 - 21 - 3.7/4839=2, 6784/2.9=2...(4) HE2 LYS 16 - HD3 LYS 115 lone 4 100 - 4 - HE3 LYS 16 - HD3 LYS 115 lone 4 100 - 4 - HE3 LYS 16 - HD2 LYS 115 lone 4 99 - 4 - HE2 LYS 16 - HD2 LYS 115 lone 4 99 - 4 - HE3 LYS 16 - HD2 LYS 65 lone 3 96 - 3 - HE2 LYS 16 - HD2 LYS 65 lone 3 96 - 3 - HE3 LYS 16 - HD3 LYS 65 lone 3 89 - 3 - HE2 LYS 16 - HD3 LYS 65 lone 3 89 - 3 - HE3 LYS 94 - HD2 LYS 65 lone 2 90 - 2 - HE3 LYS 94 - HD3 LYS 65 lone 2 81 - 2 - HE3 LYS 94 - HD3 LYS 115 lone 1 96 - 1 - HE3 LYS 94 - HD2 LYS 115 lone 1 94 - 1 - HE3 LYS 17 - HD3 LYS 115 lone 1 94 - 1 - HE3 LYS 17 - HD2 LYS 115 lone 1 92 - 1 - HE3 LYS 17 - HD2 LYS 65 lone 1 88 - 1 - HE3 LYS 17 - HD3 LYS 65 lone 0 79 - 1 - HB2 ASN 33 - HD3 LYS 115 lone 0 100 - 0 - HB2 ASP 34 - HD3 LYS 115 lone 0 100 - 0 - HB2 ASN 33 - HD2 LYS 115 lone 0 99 - 0 - HB2 ASP 34 - HD2 LYS 115 lone 0 99 - 0 - HB2 ASP 34 - HD2 LYS 65 lone 0 96 - 0 - HB2 ASP 34 - HD3 LYS 65 lone 0 89 - 0 - HB2 ASN 33 - HD2 LYS 65 lone 0 96 - 0 - HB3 ASN 88 - HD2 LYS 115 lone 0 98 - 0 - HB3 ASN 88 - HD3 LYS 115 lone 0 99 - 0 - HB3 ASN 88 - HD2 LYS 65 lone 0 95 - 0 - HB2 ASN 33 - HD3 LYS 65 lone 0 89 - 0 - HB3 ASN 88 - HD3 LYS 65 lone 0 87 - 0 - HB2 ASN 10 - HD3 LYS 115 lone 0 100 - 0 - HB2 ASN 10 - HD2 LYS 115 lone 0 99 - 0 - HB2 ASN 8 - HD2 LYS 65 lone 0 59 - 0 - HB2 ASN 10 - HD2 LYS 65 lone 0 95 - 0 - HB2 ASN 8 - HD3 LYS 115 lone 0 65 - 0 - HB2 ASN 8 - HD3 LYS 65 lone 0 52 - 0 - HB2 ASN 8 - HD2 LYS 115 lone 0 64 - 0 - HB2 ASN 10 - HD3 LYS 65 lone 0 88 - 0 - HB2 ASP 86 - HD3 LYS 115 lone 0 65 - 0 - HB2 ASP 86 - HD2 LYS 115 lone 0 64 - 0 - HB2 ASP 86 - HD2 LYS 65 lone 0 59 - 0 - HB2 ASP 86 - HD3 LYS 65 lone 0 52 - 0 - Peak 6768 from cnoeabs.peaks (2.91, 1.66, 29.55 ppm; 2.69 A): 8 out of 56 assignments used, quality = 1.00: HE2 LYS 115 + HD3 LYS 115 OK 85 100 - 85 - 3.0=75, 6774/2.9=5...(25) * HE3 LYS 115 + HD3 LYS 115 OK 85 100 - 85 - 3.0=75, 6774/2.9=5...(25) HE2 LYS 115 + HD2 LYS 115 OK 85 99 - 85 - 3.0=75, 6774/2.9=5...(25) HE3 LYS 115 + HD2 LYS 115 OK 85 99 - 85 - 3.0=75, 6774/2.9=5...(25) HE3 LYS 65 + HD2 LYS 65 OK 79 91 - 87 - 3.0=74, 3.7/4839=5...(28) HE2 LYS 65 + HD2 LYS 65 OK 79 91 - 87 - 3.0=74, 3.7/4839=5...(28) HE2 LYS 65 + HD3 LYS 65 OK 72 83 - 87 - 3.0=74, 3.7/4839=5...(28) HE3 LYS 65 + HD3 LYS 65 OK 72 83 - 87 - 3.0=74, 3.7/4839=5...(28) HE3 LYS 115 - HD2 LYS 65 OK 28 96 - 29 - 4868/3.0=2, 6776=2...(7) HE2 LYS 115 - HD2 LYS 65 OK 28 96 - 29 - 4868/3.0=2, 6776=2...(7) HE3 LYS 115 - HD3 LYS 65 OK 26 89 - 29 - 4868/3.0=2, 6785=1...(7) HE2 LYS 115 - HD3 LYS 65 OK 26 89 - 29 - 4868/3.0=2, 6775=1...(7) HE3 LYS 65 - HD3 LYS 115 OK 20 97 - 21 - 3.7/4839=2, 6784/2.9=2...(5) HE2 LYS 65 - HD3 LYS 115 OK 20 97 - 21 - 3.7/4839=2, 6784/2.9=2...(5) HE2 LYS 65 - HD2 LYS 115 OK 20 96 - 21 - 3.7/4839=2, 6784/2.9=2...(4) HE3 LYS 65 - HD2 LYS 115 OK 20 96 - 21 - 3.7/4839=2, 6784/2.9=2...(4) HE2 LYS 16 - HD3 LYS 115 lone 4 100 - 4 - HE3 LYS 16 - HD3 LYS 115 lone 4 100 - 4 - HE3 LYS 16 - HD2 LYS 115 lone 4 99 - 4 - HE2 LYS 16 - HD2 LYS 115 lone 4 99 - 4 - HE3 LYS 16 - HD2 LYS 65 lone 3 96 - 3 - HE2 LYS 16 - HD2 LYS 65 lone 3 96 - 3 - HE3 LYS 16 - HD3 LYS 65 lone 3 89 - 3 - HE2 LYS 16 - HD3 LYS 65 lone 3 89 - 3 - HE3 LYS 94 - HD2 LYS 65 lone 2 90 - 2 - HE3 LYS 94 - HD3 LYS 65 lone 2 81 - 2 - HE3 LYS 94 - HD3 LYS 115 lone 1 96 - 1 - HE3 LYS 94 - HD2 LYS 115 lone 1 94 - 1 - HE3 LYS 17 - HD3 LYS 115 lone 1 94 - 1 - HE3 LYS 17 - HD2 LYS 115 lone 1 92 - 1 - HE3 LYS 17 - HD2 LYS 65 lone 1 88 - 1 - HE3 LYS 17 - HD3 LYS 65 lone 0 79 - 1 - HB2 ASN 33 - HD3 LYS 115 lone 0 100 - 0 - HB2 ASP 34 - HD3 LYS 115 lone 0 100 - 0 - HB2 ASN 33 - HD2 LYS 115 lone 0 99 - 0 - HB2 ASP 34 - HD2 LYS 115 lone 0 99 - 0 - HB2 ASP 34 - HD2 LYS 65 lone 0 96 - 0 - HB2 ASP 34 - HD3 LYS 65 lone 0 89 - 0 - HB2 ASN 33 - HD2 LYS 65 lone 0 96 - 0 - HB3 ASN 88 - HD2 LYS 115 lone 0 98 - 0 - HB3 ASN 88 - HD3 LYS 115 lone 0 99 - 0 - HB3 ASN 88 - HD2 LYS 65 lone 0 95 - 0 - HB2 ASN 33 - HD3 LYS 65 lone 0 89 - 0 - HB3 ASN 88 - HD3 LYS 65 lone 0 87 - 0 - HB2 ASN 10 - HD3 LYS 115 lone 0 100 - 0 - HB2 ASN 10 - HD2 LYS 115 lone 0 99 - 0 - HB2 ASN 8 - HD2 LYS 65 lone 0 59 - 0 - HB2 ASN 10 - HD2 LYS 65 lone 0 95 - 0 - HB2 ASN 8 - HD3 LYS 115 lone 0 65 - 0 - HB2 ASN 8 - HD3 LYS 65 lone 0 52 - 0 - HB2 ASN 8 - HD2 LYS 115 lone 0 64 - 0 - HB2 ASN 10 - HD3 LYS 65 lone 0 88 - 0 - HB2 ASP 86 - HD3 LYS 115 lone 0 65 - 0 - HB2 ASP 86 - HD2 LYS 115 lone 0 64 - 0 - HB2 ASP 86 - HD2 LYS 65 lone 0 59 - 0 - HB2 ASP 86 - HD3 LYS 65 lone 0 52 - 0 - Peak 6770 from cnoeabs.peaks (3.80, 2.91, 41.78 ppm; 6.20 A): 8 out of 32 assignments used, quality = 1.00: * HA LYS 115 + HE2 LYS 115 OK 100 100 - 100 - 6.2=99, 6703/3.7=27...(48) HA LYS 115 + HE3 LYS 115 OK 100 100 - 100 - 6.2=99, 6703/3.7=27...(48) HA LYS 65 + HE3 LYS 65 OK 87 89 - 98 - 6.7=80, 4797/3.7=29...(43) HA LYS 65 + HE2 LYS 65 OK 87 89 - 98 - 6.7=80, 4797/3.7=29...(43) HA LYS 65 + HE3 LYS 115 OK 72 98 - 74 - 4797/3.7=11, 4799/3.0=7...(49) HA LYS 65 + HE2 LYS 115 OK 72 98 - 74 - 4797/3.7=11, 4799/3.0=7...(49) HA LYS 115 + HE3 LYS 65 OK 72 93 - 78 - 6703/3.7=12, 8261/7.4=9...(52) HA LYS 115 + HE2 LYS 65 OK 72 93 - 78 - 6703/3.7=12, 8261/7.4=9...(52) HA LYS 115 - HE2 LYS 16 OK 20 100 - 20 - 8264/5.1=2, 8264/5.1=2...(6) HA LYS 115 - HE3 LYS 16 OK 20 100 - 20 - 8264/5.1=2, 8264/5.1=2...(6) HA LYS 65 - HE3 LYS 94 OK 14 86 - 16 - 8127/3.8=3, 4797/3.0=2...(4) HA LYS 65 - HE2 LYS 16 OK 11 98 - 11 - HA LYS 65 - HE3 LYS 16 OK 11 98 - 11 - HA LYS 115 - HE3 LYS 17 lone 8 87 - 9 - 3.0/1757=2, ~2883=2, ~2863=1 HA ALA 113 - HE2 LYS 115 lone 8 100 - 8 - ~10422=2, 6730/3.7=1 HA ALA 113 - HE3 LYS 115 lone 8 100 - 8 - ~10422=2, 6730/3.7=1 HA LYS 115 - HE3 LYS 94 lone 5 90 - 5 - HA ALA 113 - HE2 LYS 65 lone 4 93 - 5 - ~10422=1 HA ALA 113 - HE3 LYS 65 lone 4 93 - 5 - ~10422=1 HA LYS 65 - HE3 LYS 17 lone 4 83 - 5 - HA ALA 113 - HE2 LYS 16 lone 3 100 - 3 - HA ALA 113 - HE3 LYS 16 lone 3 100 - 3 - HA2 GLY 26 - HE2 LYS 115 lone 3 77 - 4 - HA2 GLY 26 - HE3 LYS 115 lone 3 77 - 4 - HA ALA 113 - HE3 LYS 17 lone 2 87 - 2 - HA ALA 113 - HE3 LYS 94 lone 2 90 - 2 - HA2 GLY 26 - HE3 LYS 65 lone 2 67 - 2 - HA2 GLY 26 - HE2 LYS 65 lone 2 67 - 2 - HA2 GLY 26 - HE3 LYS 16 lone 1 77 - 2 - HA2 GLY 26 - HE2 LYS 16 lone 1 77 - 2 - HA2 GLY 26 - HE3 LYS 94 lone 1 64 - 2 - HA2 GLY 26 - HE3 LYS 17 lone 1 61 - 2 - Peak 6771 from cnoeabs.peaks (1.93, 2.91, 41.78 ppm; 3.34 A): 13 out of 128 assignments used, quality = 1.00: HB2 LYS 115 + HE3 LYS 115 OK 76 100 - 76 - 4.8=33, 3.0/6774=8...(55) * HB2 LYS 115 + HE2 LYS 115 OK 76 100 - 76 - 4.8=33, 3.0/6774=8...(55) HB3 LYS 65 + HE3 LYS 65 OK 74 91 - 82 - 4.8=34, 2.9/4878=6...(74) HB3 LYS 65 + HE2 LYS 65 OK 74 91 - 82 - 4.8=34, 2.9/4878=6...(74) HB3 LYS 115 + HE2 LYS 115 OK 74 98 - 75 - 4.8=33, 3.0/6784=8...(51) HB3 LYS 115 + HE3 LYS 115 OK 74 98 - 75 - 4.8=33, 3.0/6784=8...(51) HB2 LYS 65 + HE2 LYS 65 OK 73 89 - 82 - 4.8=34, 2.9/4868=6...(74) HB2 LYS 65 + HE3 LYS 65 OK 73 89 - 82 - 4.8=34, 2.9/4868=6...(74) HB3 LYS 17 + HE3 LYS 17 OK 65 83 - 79 - 4.9=32, 2863/2.9=18...(15) HB3 LYS 65 + HE3 LYS 115 OK 50 99 - 51 - 2.9/4868=3, 2.9/4832=2...(20) HB3 LYS 65 + HE2 LYS 115 OK 50 99 - 51 - 2.9/4868=3, 2.9/4832=2...(20) HB2 LYS 65 + HE2 LYS 115 OK 50 98 - 51 - 2.9/4868=3, 2.9/4831=2...(20) HB2 LYS 65 + HE3 LYS 115 OK 50 98 - 51 - 2.9/4868=3, 2.9/4831=2...(20) HB2 LYS 115 - HE2 LYS 65 OK 36 93 - 39 - 3.0/6774=3, 3.0/6737=2...(12) HB2 LYS 115 - HE3 LYS 65 OK 36 93 - 39 - 3.0/6774=3, 3.0/6737=2...(12) HB3 LYS 115 - HE2 LYS 65 OK 35 89 - 39 - 3.0/6774=3, 3.0/6738=2...(12) HB3 LYS 115 - HE3 LYS 65 OK 35 89 - 39 - 3.0/6774=3, 3.0/6738=2...(12) HB3 LYS 40 - HE2 LYS 16 OK 27 69 - 39 - 1.8/2892=4, 2.7/2794=4...(19) HB3 LYS 40 - HE3 LYS 16 OK 27 69 - 39 - 1.8/2892=4, 2.7/2794=4...(19) HB ILE 15 - HE3 LYS 17 OK 11 67 - 17 - 2863/2.9=4, ~11480=4...(7) HB2 LYS 115 - HE3 LYS 16 lone 7 100 - 7 - HB2 LYS 115 - HE2 LYS 16 lone 7 100 - 7 - HB3 LYS 17 - HE3 LYS 16 lone 7 98 - 7 - ~2816=1 HB3 LYS 17 - HE2 LYS 16 lone 7 98 - 7 - ~2816=1 HB3 LYS 115 - HE3 LYS 16 lone 7 98 - 7 - HB3 LYS 115 - HE2 LYS 16 lone 7 98 - 7 - HB VAL 104 - HE2 LYS 115 lone 6 65 - 10 - 10225/3.7=2, 2.1/10234=2 HB VAL 104 - HE3 LYS 115 lone 6 65 - 10 - 10225/3.7=2, 2.1/10234=2 HB3 LYS 65 - HE2 LYS 16 lone 6 99 - 6 - HB3 LYS 65 - HE3 LYS 16 lone 6 99 - 6 - HB2 LYS 65 - HE2 LYS 16 lone 6 98 - 6 - HB2 LYS 65 - HE3 LYS 16 lone 6 98 - 6 - HB VAL 104 - HE3 LYS 94 lone 5 53 - 10 - 2.1/10234=5, 2.1/11307=2...(4) HB2 LEU 81 - HE2 LYS 65 lone 5 84 - 6 - HB2 LEU 81 - HE3 LYS 65 lone 5 84 - 6 - HB2 LYS 115 - HE3 LYS 17 lone 5 87 - 5 - HB2 LYS 65 - HE3 LYS 94 lone 5 86 - 5 - HB3 LYS 65 - HE3 LYS 94 lone 4 87 - 5 - HB2 LEU 70 - HE3 LYS 94 lone 4 67 - 6 - 3.1/11307=1, 3.1/11307=1 HB2 LYS 39 - HE3 LYS 16 lone 4 98 - 4 - HB2 LYS 39 - HE2 LYS 16 lone 4 98 - 4 - HB3 LYS 115 - HE3 LYS 17 lone 4 83 - 5 - HB3 LYS 40 - HE3 LYS 17 lone 3 54 - 6 - ~2882=1 HB2 LYS 123 - HE3 LYS 17 lone 3 83 - 3 - HB2 LYS 123 - HE3 LYS 16 lone 3 98 - 3 - HB2 LYS 123 - HE2 LYS 16 lone 3 98 - 3 - HB2 LEU 81 - HE3 LYS 115 lone 3 94 - 3 - HB2 LEU 81 - HE2 LYS 115 lone 3 94 - 3 - HB3 LYS 123 - HE2 LYS 16 lone 3 80 - 3 - HB3 LYS 123 - HE3 LYS 16 lone 3 80 - 3 - HB3 LYS 17 - HE3 LYS 115 lone 3 98 - 3 - HB3 LYS 17 - HE2 LYS 115 lone 3 98 - 3 - HB2 LYS 123 - HE2 LYS 115 lone 3 98 - 3 - HB2 LYS 123 - HE3 LYS 115 lone 3 98 - 3 - HB3 LYS 123 - HE3 LYS 115 lone 2 81 - 3 - HB3 LYS 123 - HE2 LYS 115 lone 2 81 - 3 - HB2 LYS 123 - HE3 LYS 65 lone 2 89 - 3 - HB2 LYS 123 - HE2 LYS 65 lone 2 89 - 3 - HB ILE 15 - HE3 LYS 16 lone 2 84 - 3 - 7360/7.4=2 HB ILE 15 - HE2 LYS 16 lone 2 84 - 3 - 7360/7.4=2 HB3 LYS 115 - HE3 LYS 94 lone 2 86 - 3 - HB2 LYS 123 - HE3 LYS 94 lone 2 86 - 2 - HB3 LYS 123 - HE3 LYS 17 lone 2 64 - 3 - HB2 LYS 115 - HE3 LYS 94 lone 2 90 - 2 - HB3 LYS 65 - HE3 LYS 17 lone 2 84 - 2 - HB2 LYS 65 - HE3 LYS 17 lone 2 83 - 2 - HB3 LYS 123 - HE2 LYS 65 lone 2 70 - 3 - HB3 LYS 123 - HE3 LYS 65 lone 2 70 - 3 - HB VAL 104 - HE2 LYS 65 lone 2 56 - 3 - HB VAL 104 - HE3 LYS 65 lone 2 56 - 3 - HB3 LYS 123 - HE3 LYS 94 lone 1 67 - 2 - HB3 LYS 40 - HE3 LYS 115 lone 1 70 - 2 - HB3 LYS 40 - HE2 LYS 115 lone 1 70 - 2 - HB2 LYS 44 - HE3 LYS 65 lone 1 60 - 2 - HB2 LYS 44 - HE2 LYS 65 lone 1 60 - 2 - HB2 LYS 39 - HE3 LYS 94 lone 1 86 - 1 - HB2 LYS 44 - HE2 LYS 16 lone 1 69 - 2 - HB2 LYS 44 - HE3 LYS 16 lone 1 69 - 2 - HB2 LYS 39 - HE3 LYS 115 lone 1 98 - 1 - HB2 LYS 39 - HE2 LYS 115 lone 1 98 - 1 - HB2 LEU 70 - HE2 LYS 65 lone 1 70 - 1 - HB2 LEU 70 - HE3 LYS 65 lone 1 70 - 1 - HB2 LYS 44 - HE3 LYS 17 lone 1 54 - 2 - HB2 LEU 81 - HE3 LYS 94 lone 1 81 - 1 - HB2 LYS 39 - HE2 LYS 65 lone 1 89 - 1 - HB2 LYS 39 - HE3 LYS 65 lone 1 89 - 1 - HB2 LYS 44 - HE3 LYS 94 lone 1 57 - 2 - HB2 LEU 70 - HE3 LYS 115 lone 1 81 - 1 - HB2 LEU 70 - HE2 LYS 115 lone 1 81 - 1 - HB2 LYS 39 - HE3 LYS 17 lone 1 83 - 1 - HB2 LEU 81 - HE3 LYS 17 lone 1 77 - 1 - HG2 MET 121 - HE3 LYS 17 lone 1 72 - 1 - HB2 LEU 81 - HE2 LYS 16 lone 1 94 - 1 - HB2 LEU 81 - HE3 LYS 16 lone 1 94 - 1 - HB3 LYS 40 - HE2 LYS 65 lone 1 60 - 1 - HB3 LYS 40 - HE3 LYS 65 lone 1 60 - 1 - HB3 LYS 40 - HE3 LYS 94 lone 1 57 - 1 - HB2 LEU 127 - HE3 LYS 17 lone 1 84 - 1 - HB ILE 15 - HE3 LYS 115 lone 1 84 - 1 - HB ILE 15 - HE2 LYS 115 lone 1 84 - 1 - HB VAL 104 - HE2 LYS 16 lone 1 65 - 1 - HB VAL 104 - HE3 LYS 16 lone 1 65 - 1 - HB2 LEU 70 - HE2 LYS 16 lone 0 80 - 1 - HB2 LEU 70 - HE3 LYS 16 lone 0 80 - 1 - HB2 LEU 127 - HE2 LYS 16 lone 0 99 - 0 - HB2 LEU 127 - HE3 LYS 16 lone 0 99 - 0 - HB2 LEU 127 - HE3 LYS 115 lone 0 99 - 0 - HB2 LEU 127 - HE2 LYS 115 lone 0 99 - 0 - HB3 LYS 17 - HE2 LYS 65 lone 0 89 - 0 - HB3 LYS 17 - HE3 LYS 65 lone 0 89 - 0 - HB2 LEU 127 - HE2 LYS 65 lone 0 91 - 0 - HB2 LEU 127 - HE3 LYS 65 lone 0 91 - 0 - HG2 MET 121 - HE2 LYS 65 lone 0 79 - 1 - HG2 MET 121 - HE3 LYS 65 lone 0 79 - 1 - HG2 MET 121 - HE2 LYS 115 lone 0 90 - 0 - HG2 MET 121 - HE3 LYS 115 lone 0 90 - 0 - HG2 MET 121 - HE3 LYS 16 lone 0 89 - 0 - HG2 MET 121 - HE2 LYS 16 lone 0 89 - 0 - HB3 LYS 17 - HE3 LYS 94 lone 0 86 - 0 - HB2 LEU 127 - HE3 LYS 94 lone 0 87 - 0 - HB2 LYS 44 - HE2 LYS 115 lone 0 70 - 0 - HB2 LYS 44 - HE3 LYS 115 lone 0 70 - 0 - HG2 MET 121 - HE3 LYS 94 lone 0 76 - 0 - HB ILE 15 - HE2 LYS 65 lone 0 73 - 0 - HB ILE 15 - HE3 LYS 65 lone 0 73 - 0 - HB ILE 15 - HE3 LYS 94 lone 0 70 - 0 - HB2 LEU 70 - HE3 LYS 17 lone 0 64 - 0 - HB VAL 104 - HE3 LYS 17 lone 0 50 - 0 - Peak 6772 from cnoeabs.peaks (1.93, 2.91, 41.78 ppm; 3.34 A): 13 out of 160 assignments used, quality = 1.00: HB2 LYS 65 + HE2 LYS 65 OK 76 93 - 82 - 4.8=34, 2.9/4878=6...(74) HB2 LYS 65 + HE3 LYS 65 OK 76 93 - 82 - 4.8=34, 2.9/4878=6...(74) HB3 LYS 65 + HE2 LYS 65 OK 76 93 - 82 - 4.8=34, 2.9/4868=6...(74) HB3 LYS 65 + HE3 LYS 65 OK 76 93 - 82 - 4.8=34, 2.9/4868=6...(74) HB3 LYS 115 + HE3 LYS 115 OK 75 100 - 75 - 4.8=33, 3.0/6784=8...(51) * HB3 LYS 115 + HE2 LYS 115 OK 75 100 - 75 - 4.8=33, 3.0/6784=8...(51) HB2 LYS 115 + HE3 LYS 115 OK 74 98 - 76 - 4.8=33, 3.0/6784=8...(55) HB2 LYS 115 + HE2 LYS 115 OK 74 98 - 76 - 4.8=33, 3.0/6784=8...(55) HB3 LYS 17 + HE3 LYS 17 OK 53 70 - 77 - 4.9=32, 2863/2.9=14...(15) HB2 LYS 65 + HE3 LYS 115 OK 51 100 - 51 - 2.9/4868=3, 2.9/4831=2...(20) HB2 LYS 65 + HE2 LYS 115 OK 51 100 - 51 - 2.9/4868=3, 2.9/4831=2...(20) HB3 LYS 65 + HE2 LYS 115 OK 51 100 - 51 - 2.9/4868=3, 2.9/4832=2...(20) HB3 LYS 65 + HE3 LYS 115 OK 51 100 - 51 - 2.9/4868=3, 2.9/4832=2...(20) HB3 LYS 115 - HE2 LYS 65 OK 36 93 - 39 - 3.0/6774=3, 3.0/6737=2...(12) HB3 LYS 115 - HE3 LYS 65 OK 36 93 - 39 - 3.0/6774=3, 3.0/6737=2...(12) HB3 LYS 40 - HE2 LYS 16 OK 36 89 - 41 - 1.8/2892=4, 2.7/2804=4...(19) HB3 LYS 40 - HE3 LYS 16 OK 36 89 - 41 - 1.8/2892=4, 2.7/2804=4...(19) HB2 LYS 115 - HE2 LYS 65 OK 35 89 - 39 - 3.0/6774=3, 3.0/6737=2...(12) HB2 LYS 115 - HE3 LYS 65 OK 35 89 - 39 - 3.0/6774=3, 3.0/6737=2...(12) HB VAL 104 - HE3 LYS 115 poor 10 87 - 11 - 10225/3.7=4, 2.1/10234=2 HB VAL 104 - HE2 LYS 115 poor 10 87 - 11 - 10225/3.7=4, 2.1/10234=2 HB VAL 104 - HE3 LYS 94 poor 7 73 - 10 - 2.1/10234=5, 2.1/11307=2...(4) HB ILE 15 - HE3 LYS 17 poor 7 47 - 16 - ~11480=4, 2863/2.9=3...(7) HB3 LYS 115 - HE3 LYS 16 lone 7 100 - 7 - HB3 LYS 115 - HE2 LYS 16 lone 7 100 - 7 - HB2 LYS 115 - HE3 LYS 16 lone 7 98 - 7 - HB2 LYS 115 - HE2 LYS 16 lone 7 98 - 7 - HB3 LYS 17 - HE3 LYS 16 lone 6 87 - 7 - ~2816=1 HB3 LYS 17 - HE2 LYS 16 lone 6 87 - 7 - ~2816=1 HB3 LYS 65 - HE2 LYS 16 lone 6 100 - 6 - HB3 LYS 65 - HE3 LYS 16 lone 6 100 - 6 - HB2 LYS 65 - HE2 LYS 16 lone 6 100 - 6 - HB2 LYS 65 - HE3 LYS 16 lone 6 100 - 6 - HB2 LEU 70 - HE3 LYS 94 lone 5 83 - 7 - 3.1/11307=1, 3.1/11307=1 HB2 LYS 65 - HE3 LYS 94 lone 5 90 - 5 - HB3 LYS 65 - HE3 LYS 94 lone 5 90 - 5 - HB2 LYS 39 - HE3 LYS 16 lone 4 100 - 4 - HB2 LYS 39 - HE2 LYS 16 lone 4 100 - 4 - HB3 LYS 40 - HE3 LYS 17 lone 4 72 - 6 - ~2882=1 HB3 LYS 115 - HE3 LYS 17 lone 4 87 - 5 - HB2 LYS 115 - HE3 LYS 17 lone 4 83 - 5 - HB3 LYS 39 - HE2 LYS 16 lone 4 80 - 5 - HB3 LYS 39 - HE3 LYS 16 lone 4 80 - 5 - HB2 LEU 81 - HE2 LYS 65 lone 4 67 - 6 - HB2 LEU 81 - HE3 LYS 65 lone 4 67 - 6 - HB2 LYS 123 - HE2 LYS 16 lone 3 100 - 3 - HB2 LYS 123 - HE3 LYS 16 lone 3 100 - 3 - HB2 LYS 123 - HE3 LYS 17 lone 3 87 - 3 - HB2 LYS 123 - HE2 LYS 115 lone 3 100 - 3 - HB2 LYS 123 - HE3 LYS 115 lone 3 100 - 3 - HB VAL 104 - HE2 LYS 65 lone 2 76 - 3 - HB VAL 104 - HE3 LYS 65 lone 2 76 - 3 - HB2 LYS 123 - HE3 LYS 65 lone 2 93 - 3 - HB2 LYS 123 - HE2 LYS 65 lone 2 93 - 3 - HB3 LYS 115 - HE3 LYS 94 lone 2 90 - 3 - HB2 LYS 123 - HE3 LYS 94 lone 2 90 - 3 - HB3 LYS 17 - HE2 LYS 115 lone 2 87 - 3 - HB3 LYS 17 - HE3 LYS 115 lone 2 87 - 3 - HB2 LEU 81 - HE3 LYS 115 lone 2 77 - 3 - HB2 LEU 81 - HE2 LYS 115 lone 2 77 - 3 - HB2 LYS 115 - HE3 LYS 94 lone 2 86 - 2 - HB3 LYS 65 - HE3 LYS 17 lone 2 87 - 2 - HB2 LYS 65 - HE3 LYS 17 lone 2 87 - 2 - HB3 LYS 40 - HE3 LYS 115 lone 2 90 - 2 - HB3 LYS 40 - HE2 LYS 115 lone 2 90 - 2 - HB2 LYS 39 - HE3 LYS 94 lone 1 90 - 1 - HB2 LEU 70 - HE3 LYS 65 lone 1 86 - 1 - HB2 LEU 70 - HE2 LYS 65 lone 1 86 - 1 - HB2 LYS 39 - HE2 LYS 115 lone 1 100 - 1 - HB2 LYS 39 - HE3 LYS 115 lone 1 100 - 1 - HB3 MET 42 - HE3 LYS 16 lone 1 73 - 1 - HB3 MET 42 - HE2 LYS 16 lone 1 73 - 1 - HB2 LEU 70 - HE3 LYS 115 lone 1 96 - 1 - HB2 LEU 70 - HE2 LYS 115 lone 1 96 - 1 - HB ILE 15 - HE3 LYS 16 lone 1 61 - 2 - 77/7.4=1 HB ILE 15 - HE2 LYS 16 lone 1 61 - 2 - 77/7.4=1 HB VAL 29 - HE3 LYS 94 lone 1 50 - 2 - HB2 LYS 39 - HE2 LYS 65 lone 1 93 - 1 - HB2 LYS 39 - HE3 LYS 65 lone 1 93 - 1 - HB3 LYS 40 - HE3 LYS 94 lone 1 76 - 1 - HB3 LYS 39 - HE3 LYS 94 lone 1 67 - 1 - HB3 LYS 40 - HE2 LYS 65 lone 1 79 - 1 - HB3 LYS 40 - HE3 LYS 65 lone 1 79 - 1 - HB3 LYS 39 - HE3 LYS 115 lone 1 81 - 1 - HB3 LYS 39 - HE2 LYS 115 lone 1 81 - 1 - HB3 MET 42 - HE3 LYS 94 lone 1 60 - 1 - HB3 GLU 41 - HE3 LYS 16 lone 1 77 - 1 - HB3 GLU 41 - HE2 LYS 16 lone 1 77 - 1 - HB2 LYS 39 - HE3 LYS 17 lone 1 87 - 1 - HB2 GLU 41 - HE3 LYS 16 lone 1 73 - 1 - HB2 GLU 41 - HE2 LYS 16 lone 1 73 - 1 - HB VAL 104 - HE2 LYS 16 lone 1 87 - 1 - HB VAL 104 - HE3 LYS 16 lone 1 87 - 1 - HB3 LYS 39 - HE2 LYS 65 lone 1 70 - 1 - HB3 LYS 39 - HE3 LYS 65 lone 1 70 - 1 - HB2 LEU 81 - HE3 LYS 94 lone 1 64 - 1 - HB2 LEU 70 - HE3 LYS 16 lone 1 95 - 1 - HB2 LEU 70 - HE2 LYS 16 lone 1 95 - 1 - HB2 LEU 127 - HE3 LYS 17 lone 1 87 - 1 - HB VAL 29 - HE3 LYS 115 lone 1 61 - 1 - HB VAL 29 - HE2 LYS 115 lone 1 61 - 1 - HB2 LEU 81 - HE3 LYS 16 lone 1 77 - 1 - HB2 LEU 81 - HE2 LYS 16 lone 1 77 - 1 - HB3 LYS 39 - HE3 LYS 17 lone 1 64 - 1 - HB2 LEU 127 - HE3 LYS 16 lone 0 100 - 0 - HB2 LEU 127 - HE2 LYS 16 lone 0 100 - 0 - HB2 LEU 81 - HE3 LYS 17 lone 0 61 - 1 - HB2 LEU 127 - HE2 LYS 115 lone 0 100 - 0 - HB2 LEU 127 - HE3 LYS 115 lone 0 100 - 0 - HB2 LEU 127 - HE2 LYS 65 lone 0 93 - 0 - HB2 LEU 127 - HE3 LYS 65 lone 0 93 - 0 - HG2 MET 121 - HE3 LYS 17 lone 0 54 - 1 - HB2 LEU 127 - HE3 LYS 94 lone 0 90 - 0 - HB VAL 29 - HE2 LYS 16 lone 0 61 - 1 - HB VAL 29 - HE3 LYS 16 lone 0 61 - 1 - HB3 LYS 17 - HE2 LYS 65 lone 0 76 - 0 - HB3 LYS 17 - HE3 LYS 65 lone 0 76 - 0 - HB3 LYS 17 - HE3 LYS 94 lone 0 73 - 0 - HB ILE 15 - HE3 LYS 115 lone 0 61 - 1 - HB ILE 15 - HE2 LYS 115 lone 0 61 - 1 - HB3 GLU 41 - HE2 LYS 115 lone 0 77 - 0 - HB3 GLU 41 - HE3 LYS 115 lone 0 77 - 0 - HG2 MET 121 - HE2 LYS 115 lone 0 70 - 0 - HG2 MET 121 - HE3 LYS 115 lone 0 70 - 0 - HB2 GLU 41 - HE2 LYS 115 lone 0 73 - 0 - HB2 GLU 41 - HE3 LYS 115 lone 0 73 - 0 - HB2 LEU 70 - HE3 LYS 17 lone 0 79 - 0 - HB3 MET 42 - HE2 LYS 115 lone 0 73 - 0 - HB3 MET 42 - HE3 LYS 115 lone 0 73 - 0 - HB VAL 104 - HE3 LYS 17 lone 0 70 - 0 - HB3 MET 42 - HE3 LYS 17 lone 0 57 - 0 - HG2 MET 121 - HE3 LYS 16 lone 0 69 - 0 - HG2 MET 121 - HE2 LYS 16 lone 0 69 - 0 - HB3 GLU 52 - HE3 LYS 94 lone 0 53 - 0 - HB3 GLU 52 - HE2 LYS 115 lone 0 65 - 0 - HB3 GLU 52 - HE3 LYS 115 lone 0 65 - 0 - HB3 GLU 41 - HE3 LYS 65 lone 0 67 - 0 - HB3 GLU 41 - HE2 LYS 65 lone 0 67 - 0 - HG2 MET 121 - HE3 LYS 65 lone 0 60 - 0 - HG2 MET 121 - HE2 LYS 65 lone 0 60 - 0 - HB3 GLU 52 - HE2 LYS 16 lone 0 65 - 0 - HB3 GLU 52 - HE3 LYS 16 lone 0 65 - 0 - HB3 GLU 41 - HE3 LYS 94 lone 0 64 - 0 - HB2 GLU 41 - HE3 LYS 65 lone 0 63 - 0 - HB2 GLU 41 - HE2 LYS 65 lone 0 63 - 0 - HB VAL 29 - HE3 LYS 65 lone 0 52 - 0 - HB VAL 29 - HE2 LYS 65 lone 0 52 - 0 - HB3 MET 42 - HE3 LYS 65 lone 0 63 - 0 - HB3 MET 42 - HE2 LYS 65 lone 0 63 - 0 - HB2 GLU 41 - HE3 LYS 94 lone 0 60 - 0 - HB3 GLU 41 - HE3 LYS 17 lone 0 61 - 0 - HB3 GLU 52 - HE2 LYS 65 lone 0 56 - 0 - HB3 GLU 52 - HE3 LYS 65 lone 0 56 - 0 - HB2 GLU 41 - HE3 LYS 17 lone 0 57 - 0 - HG2 MET 121 - HE3 LYS 94 lone 0 57 - 0 - HB VAL 29 - HE3 LYS 17 lone 0 47 - 0 - HB ILE 15 - HE3 LYS 65 lone 0 52 - 0 - HB ILE 15 - HE2 LYS 65 lone 0 52 - 0 - HB ILE 15 - HE3 LYS 94 lone 0 50 - 0 - HB3 GLU 52 - HE3 LYS 17 lone 0 50 - 0 - Peak 6773 from cnoeabs.peaks (1.56, 2.91, 41.78 ppm; 3.09 A): 4 out of 88 assignments used, quality = 1.00: * HG2 LYS 115 + HE2 LYS 115 OK 83 100 - 83 - 3.7=58, 1.8/6774=9...(28) HG2 LYS 115 + HE3 LYS 115 OK 83 100 - 83 - 3.7=58, 1.8/6774=9...(28) HG2 LYS 65 + HE2 LYS 65 OK 64 76 - 84 - 3.7=58, 1.8/4868=7...(31) HG2 LYS 65 + HE3 LYS 65 OK 64 76 - 84 - 3.7=58, 1.8/4868=7...(31) HG2 LYS 65 - HE2 LYS 115 OK 35 87 - 40 - 1.8/4868=3, 6738=2...(12) HG2 LYS 65 - HE3 LYS 115 OK 35 87 - 40 - 1.8/4868=3, 6738=2...(12) HG2 LYS 115 - HE2 LYS 65 OK 29 93 - 31 - 1.8/6784=3, 6738=2...(7) HG2 LYS 115 - HE3 LYS 65 OK 29 93 - 31 - 1.8/6784=3, 6738=2...(7) HG3 LYS 96 - HE2 LYS 65 lone 7 84 - 9 - HG3 LYS 96 - HE3 LYS 65 lone 7 84 - 9 - HG2 LYS 115 - HE3 LYS 16 lone 7 100 - 7 - HG2 LYS 115 - HE2 LYS 16 lone 7 100 - 7 - HG2 LYS 65 - HE2 LYS 16 lone 4 87 - 4 - HG2 LYS 65 - HE3 LYS 16 lone 4 87 - 4 - HB3 LEU 70 - HE3 LYS 94 lone 4 81 - 4 - 3.1/11307=1, 3.1/11307=1 HG3 LYS 96 - HE3 LYS 16 lone 3 94 - 3 - HG3 LYS 96 - HE2 LYS 16 lone 3 94 - 3 - HG2 LYS 123 - HE2 LYS 115 lone 2 81 - 3 - HG2 LYS 123 - HE3 LYS 115 lone 2 81 - 3 - HG2 LYS 115 - HE3 LYS 17 lone 2 87 - 3 - HG2 LYS 65 - HE3 LYS 94 lone 2 73 - 3 - HG2 LYS 115 - HE3 LYS 94 lone 2 90 - 2 - HG2 LYS 123 - HE3 LYS 65 lone 2 70 - 3 - HG2 LYS 123 - HE2 LYS 65 lone 2 70 - 3 - HG2 LYS 123 - HE2 LYS 16 lone 2 80 - 2 - HG2 LYS 123 - HE3 LYS 16 lone 2 80 - 2 - HG3 LYS 96 - HE3 LYS 94 lone 2 81 - 2 - HG2 LYS 123 - HE3 LYS 94 lone 1 67 - 2 - HG2 LYS 123 - HE3 LYS 17 lone 1 64 - 2 - HG3 LYS 96 - HE2 LYS 115 lone 1 94 - 1 - HG3 LYS 96 - HE3 LYS 115 lone 1 94 - 1 - HG LEU 55 - HE2 LYS 115 lone 1 99 - 1 - HG LEU 55 - HE3 LYS 115 lone 1 99 - 1 - HB3 LEU 70 - HE2 LYS 65 lone 1 84 - 1 - HB3 LEU 70 - HE3 LYS 65 lone 1 84 - 1 - QB ALA 46 - HE3 LYS 94 lone 1 76 - 1 - HB3 LEU 70 - HE2 LYS 115 lone 1 94 - 1 - HB3 LEU 70 - HE3 LYS 115 lone 1 94 - 1 - HG LEU 55 - HE3 LYS 94 lone 1 87 - 1 - HG3 LYS 96 - HE3 LYS 17 lone 1 77 - 1 - HG LEU 55 - HE3 LYS 17 lone 1 84 - 1 - HD3 LYS 106 - HE2 LYS 115 lone 1 100 - 1 - HD3 LYS 106 - HE3 LYS 115 lone 1 100 - 1 - HD2 LYS 106 - HE3 LYS 115 lone 1 100 - 1 - HD2 LYS 106 - HE2 LYS 115 lone 1 100 - 1 - HG2 LYS 65 - HE3 LYS 17 lone 1 70 - 1 - HG12 ILE 3 - HE3 LYS 115 lone 1 100 - 1 - HG12 ILE 3 - HE2 LYS 115 lone 1 100 - 1 - HG LEU 55 - HE2 LYS 65 lone 1 91 - 1 - HG LEU 55 - HE3 LYS 65 lone 1 91 - 1 - QB ALA 46 - HE2 LYS 65 lone 1 79 - 1 - QB ALA 46 - HE3 LYS 65 lone 1 79 - 1 - HB3 LEU 70 - HE3 LYS 16 lone 0 94 - 1 - HB3 LEU 70 - HE2 LYS 16 lone 0 94 - 1 - HG12 ILE 3 - HE3 LYS 17 lone 0 87 - 1 - QB ALA 46 - HE3 LYS 115 lone 0 90 - 1 - QB ALA 46 - HE2 LYS 115 lone 0 90 - 1 - HB VAL 78 - HE3 LYS 115 lone 0 99 - 0 - HB VAL 78 - HE2 LYS 115 lone 0 99 - 0 - HD2 LYS 106 - HE3 LYS 65 lone 0 93 - 0 - HD2 LYS 106 - HE2 LYS 65 lone 0 93 - 0 - HD3 LYS 106 - HE2 LYS 65 lone 0 93 - 0 - HD3 LYS 106 - HE3 LYS 65 lone 0 93 - 0 - HG LEU 55 - HE2 LYS 16 lone 0 99 - 0 - HG LEU 55 - HE3 LYS 16 lone 0 99 - 0 - HG12 ILE 3 - HE3 LYS 65 lone 0 93 - 0 - HG12 ILE 3 - HE2 LYS 65 lone 0 93 - 0 - HD2 LYS 106 - HE3 LYS 94 lone 0 90 - 0 - HD3 LYS 106 - HE3 LYS 94 lone 0 90 - 0 - HB VAL 78 - HE2 LYS 65 lone 0 92 - 0 - HB VAL 78 - HE3 LYS 65 lone 0 92 - 0 - HD2 LYS 106 - HE3 LYS 16 lone 0 100 - 0 - HD2 LYS 106 - HE2 LYS 16 lone 0 100 - 0 - HD3 LYS 106 - HE2 LYS 16 lone 0 100 - 0 - HD3 LYS 106 - HE3 LYS 16 lone 0 100 - 0 - HB VAL 78 - HE3 LYS 17 lone 0 85 - 0 - QB ALA 46 - HE3 LYS 17 lone 0 72 - 0 - QB ALA 46 - HE3 LYS 16 lone 0 89 - 0 - QB ALA 46 - HE2 LYS 16 lone 0 89 - 0 - HG12 ILE 3 - HE2 LYS 16 lone 0 100 - 0 - HG12 ILE 3 - HE3 LYS 16 lone 0 100 - 0 - HG12 ILE 3 - HE3 LYS 94 lone 0 90 - 0 - HB VAL 78 - HE3 LYS 16 lone 0 99 - 0 - HB VAL 78 - HE2 LYS 16 lone 0 99 - 0 - HB VAL 78 - HE3 LYS 94 lone 0 89 - 0 - HD2 LYS 106 - HE3 LYS 17 lone 0 87 - 0 - HD3 LYS 106 - HE3 LYS 17 lone 0 87 - 0 - HB3 LEU 70 - HE3 LYS 17 lone 0 77 - 0 - Peak 6774 from cnoeabs.peaks (1.30, 2.91, 41.78 ppm; 3.61 A): 2 out of 16 assignments used, quality = 1.00: * HG3 LYS 115 + HE2 LYS 115 OK 98 100 - 98 - 3.7=94, 1.8/6737=7...(45) HG3 LYS 115 + HE3 LYS 115 OK 98 100 - 98 - 3.7=94, 1.8/6737=7...(45) HG3 LYS 115 - HE3 LYS 65 OK 37 93 - 40 - 1.8/6737=3, ~6738=2...(13) HG3 LYS 115 - HE2 LYS 65 OK 37 93 - 40 - 1.8/6737=3, ~6738=2...(13) HG3 LYS 115 - HE3 LYS 16 lone 8 100 - 8 - HG3 LYS 115 - HE2 LYS 16 lone 8 100 - 8 - HG3 LYS 115 - HE3 LYS 17 lone 3 87 - 3 - HB3 LEU 80 - HE3 LYS 17 lone 3 70 - 4 - HG3 LYS 115 - HE3 LYS 94 lone 3 90 - 3 - HB3 LEU 80 - HE2 LYS 115 lone 2 87 - 3 - HB3 LEU 80 - HE3 LYS 115 lone 2 87 - 3 - HB3 LEU 80 - HE3 LYS 94 lone 1 73 - 2 - HB3 LEU 80 - HE2 LYS 65 lone 1 76 - 2 - HB3 LEU 80 - HE3 LYS 65 lone 1 76 - 2 - HB3 LEU 80 - HE2 LYS 16 lone 1 87 - 1 - HB3 LEU 80 - HE3 LYS 16 lone 1 87 - 1 - Peak 6775 from cnoeabs.peaks (1.66, 2.91, 41.78 ppm; 2.49 A): 8 out of 104 assignments used, quality = 1.00: HD2 LYS 115 + HE3 LYS 115 OK 74 100 - 74 - 3.0=60, 2.9/6774=4...(19) * HD2 LYS 115 + HE2 LYS 115 OK 74 100 - 74 - 3.0=60, 2.9/6784=4...(19) HD3 LYS 115 + HE3 LYS 115 OK 74 100 - 74 - 3.0=60, 2.9/6784=4...(19) HD3 LYS 115 + HE2 LYS 115 OK 74 100 - 74 - 3.0=60, 2.9/6774=4...(19) HD2 LYS 65 + HE2 LYS 65 OK 71 93 - 76 - 3.0=59, 4839/3.7=4...(21) HD2 LYS 65 + HE3 LYS 65 OK 71 93 - 76 - 3.0=59, 4839/3.7=4...(21) HD3 LYS 65 + HE2 LYS 65 OK 69 91 - 77 - 3.0=59, 4839/3.7=4...(21) HD3 LYS 65 + HE3 LYS 65 OK 69 91 - 77 - 3.0=59, 4839/3.7=4...(21) HD2 LYS 65 - HE2 LYS 115 OK 24 100 - 25 - 3.0/4868=1, 6758=1, 3.0/4831=1 HD2 LYS 65 - HE3 LYS 115 OK 24 100 - 25 - 3.0/4868=1, 6758=1, 3.0/4831=1 HD3 LYS 65 - HE2 LYS 115 OK 24 99 - 25 - 3.0/4868=1, 6757=1, 3.0/4831=1 HD3 LYS 65 - HE3 LYS 115 OK 24 99 - 25 - 3.0/4868=1, 6757=1, 3.0/4831=1 HD2 LYS 115 - HE3 LYS 65 OK 16 93 - 17 - 4839/3.7=2, 2.9/6774=2 HD2 LYS 115 - HE2 LYS 65 OK 16 93 - 17 - 4839/3.7=2, 2.9/6774=2 HD3 LYS 115 - HE2 LYS 65 OK 16 92 - 18 - 4839/3.7=2, 2.9/6774=2 HD3 LYS 115 - HE3 LYS 65 OK 16 92 - 18 - 4839/3.7=2, 2.9/6774=2 HG LEU 114 - HE3 LYS 17 OK 10 84 - 12 - 2.1/11218=3, ~11514=3...(5) HG LEU 114 - HE2 LYS 115 lone 4 99 - 4 - HG LEU 114 - HE3 LYS 115 lone 4 99 - 4 - HD3 LYS 115 - HE2 LYS 16 lone 3 100 - 3 - HD3 LYS 115 - HE3 LYS 16 lone 3 100 - 3 - HD2 LYS 115 - HE2 LYS 16 lone 3 100 - 3 - HD2 LYS 115 - HE3 LYS 16 lone 3 100 - 3 - HD2 LYS 65 - HE3 LYS 16 lone 3 100 - 3 - HD2 LYS 65 - HE2 LYS 16 lone 3 100 - 3 - HD3 LYS 65 - HE3 LYS 16 lone 3 99 - 3 - HD3 LYS 65 - HE2 LYS 16 lone 3 99 - 3 - HD2 LYS 65 - HE3 LYS 94 lone 2 90 - 2 - HD3 LYS 65 - HE3 LYS 94 lone 2 87 - 2 - HG LEU 90 - HE3 LYS 94 lone 2 57 - 3 - HB ILE 5 - HE3 LYS 17 lone 2 75 - 2 - HG LEU 64 - HE2 LYS 115 lone 1 81 - 1 - HG LEU 64 - HE3 LYS 115 lone 1 81 - 1 - HG LEU 114 - HE3 LYS 16 lone 1 99 - 1 - HG LEU 114 - HE2 LYS 16 lone 1 99 - 1 - HD2 LYS 115 - HE3 LYS 94 lone 1 90 - 1 - HD3 LYS 115 - HE3 LYS 94 lone 1 89 - 1 - HG LEU 114 - HE3 LYS 65 lone 1 91 - 1 - HG LEU 114 - HE2 LYS 65 lone 1 91 - 1 - HD2 LYS 115 - HE3 LYS 17 lone 1 87 - 1 - HD3 LYS 115 - HE3 LYS 17 lone 1 86 - 1 - HG LEU 64 - HE2 LYS 65 lone 1 70 - 1 - HG LEU 64 - HE3 LYS 65 lone 1 70 - 1 - HG LEU 114 - HE3 LYS 94 lone 1 87 - 1 - HG LEU 90 - HE2 LYS 65 lone 1 60 - 1 - HG LEU 90 - HE3 LYS 65 lone 1 60 - 1 - HD2 LYS 49 - HE3 LYS 115 lone 1 100 - 1 - HD2 LYS 49 - HE2 LYS 115 lone 1 100 - 1 - HD3 LYS 49 - HE3 LYS 115 lone 1 100 - 1 - HD3 LYS 49 - HE2 LYS 115 lone 1 100 - 1 - HD3 LYS 49 - HE2 LYS 65 lone 0 92 - 0 - HD2 LYS 49 - HE2 LYS 65 lone 0 92 - 0 - HD3 LYS 49 - HE3 LYS 65 lone 0 92 - 0 - HD2 LYS 49 - HE3 LYS 65 lone 0 92 - 0 - HD2 LYS 65 - HE3 LYS 17 lone 0 86 - 0 - HD3 LYS 65 - HE3 LYS 17 lone 0 84 - 0 - HG LEU 64 - HE3 LYS 17 lone 0 64 - 1 - HD2 LYS 49 - HE3 LYS 94 lone 0 89 - 0 - HD3 LYS 49 - HE3 LYS 94 lone 0 89 - 0 - HG LEU 64 - HE2 LYS 16 lone 0 80 - 0 - HG LEU 64 - HE3 LYS 16 lone 0 80 - 0 - HG LEU 64 - HE3 LYS 94 lone 0 67 - 0 - HG3 ARG 95 - HE3 LYS 16 lone 0 61 - 0 - HG3 ARG 95 - HE2 LYS 16 lone 0 61 - 0 - HB2 GLU 52 - HE2 LYS 65 lone 0 93 - 0 - HB2 GLU 52 - HE3 LYS 65 lone 0 93 - 0 - HB2 GLU 52 - HE3 LYS 115 lone 0 100 - 0 - HB2 GLU 52 - HE2 LYS 115 lone 0 100 - 0 - HB ILE 5 - HE2 LYS 115 lone 0 92 - 0 - HB ILE 5 - HE3 LYS 115 lone 0 92 - 0 - HB2 GLU 52 - HE3 LYS 94 lone 0 90 - 0 - HD2 LYS 49 - HE2 LYS 16 lone 0 100 - 0 - HD2 LYS 49 - HE3 LYS 16 lone 0 100 - 0 - HD3 LYS 49 - HE3 LYS 16 lone 0 100 - 0 - HD3 LYS 49 - HE2 LYS 16 lone 0 100 - 0 - HB2 ARG 30 - HE3 LYS 65 lone 0 93 - 0 - HB2 ARG 30 - HE2 LYS 65 lone 0 93 - 0 - HB2 ARG 30 - HE3 LYS 115 lone 0 100 - 0 - HB2 ARG 30 - HE2 LYS 115 lone 0 100 - 0 - HG LEU 90 - HE3 LYS 115 lone 0 70 - 0 - HG LEU 90 - HE2 LYS 115 lone 0 70 - 0 - HD2 LYS 49 - HE3 LYS 17 lone 0 86 - 0 - HD3 LYS 49 - HE3 LYS 17 lone 0 86 - 0 - HB ILE 5 - HE3 LYS 65 lone 0 82 - 0 - HB ILE 5 - HE2 LYS 65 lone 0 82 - 0 - HB2 GLU 52 - HE2 LYS 16 lone 0 100 - 0 - HB2 GLU 52 - HE3 LYS 16 lone 0 100 - 0 - HB2 ARG 30 - HE3 LYS 94 lone 0 90 - 0 - HB2 ARG 30 - HE3 LYS 16 lone 0 100 - 0 - HB2 ARG 30 - HE2 LYS 16 lone 0 100 - 0 - HG LEU 90 - HE3 LYS 16 lone 0 69 - 0 - HG LEU 90 - HE2 LYS 16 lone 0 69 - 0 - HB ILE 5 - HE2 LYS 16 lone 0 92 - 0 - HB ILE 5 - HE3 LYS 16 lone 0 92 - 0 - HB2 GLU 52 - HE3 LYS 17 lone 0 87 - 0 - HB2 ARG 30 - HE3 LYS 17 lone 0 86 - 0 - HB ILE 5 - HE3 LYS 94 lone 0 78 - 0 - HG3 ARG 95 - HE3 LYS 115 lone 0 61 - 0 - HG3 ARG 95 - HE2 LYS 115 lone 0 61 - 0 - HG3 ARG 95 - HE3 LYS 65 lone 0 52 - 0 - HG3 ARG 95 - HE2 LYS 65 lone 0 52 - 0 - HG3 ARG 95 - HE3 LYS 94 lone 0 50 - 0 - HG LEU 90 - HE3 LYS 17 lone 0 54 - 0 - HG3 ARG 95 - HE3 LYS 17 lone 0 47 - 0 - Peak 6776 from cnoeabs.peaks (1.66, 2.91, 41.78 ppm; 2.49 A): 8 out of 104 assignments used, quality = 1.00: * HD3 LYS 115 + HE2 LYS 115 OK 74 100 - 74 - 3.0=60, 2.9/6784=4...(19) HD3 LYS 115 + HE3 LYS 115 OK 74 100 - 74 - 3.0=60, 2.9/6784=4...(19) HD2 LYS 115 + HE3 LYS 115 OK 74 100 - 74 - 3.0=60, 2.9/6784=4...(19) HD2 LYS 115 + HE2 LYS 115 OK 74 100 - 74 - 3.0=60, 2.9/6784=4...(19) HD2 LYS 65 + HE3 LYS 65 OK 69 91 - 76 - 3.0=59, 4839/3.7=4...(21) HD2 LYS 65 + HE2 LYS 65 OK 69 91 - 76 - 3.0=59, 4839/3.7=4...(21) HD3 LYS 65 + HE3 LYS 65 OK 66 86 - 76 - 3.0=59, 4839/3.7=4...(21) HD3 LYS 65 + HE2 LYS 65 OK 66 86 - 76 - 3.0=59, 4839/3.7=4...(21) HD2 LYS 65 - HE2 LYS 115 OK 24 99 - 25 - 3.0/4878=1, 6767=1, 3.0/4831=1 HD2 LYS 65 - HE3 LYS 115 OK 24 99 - 25 - 3.0/4878=1, 6767=1, 3.0/4831=1 HD3 LYS 65 - HE3 LYS 115 OK 23 96 - 25 - 3.0/4868=1, 6757=1, 3.0/4831=1 HD3 LYS 65 - HE2 LYS 115 OK 23 96 - 25 - 3.0/4868=1, 6757=1, 3.0/4831=1 HD3 LYS 115 - HE3 LYS 65 OK 16 93 - 17 - 4839/3.7=2, 2.9/6774=2 HD3 LYS 115 - HE2 LYS 65 OK 16 93 - 17 - 4839/3.7=2, 2.9/6774=2 HD2 LYS 115 - HE3 LYS 65 OK 16 92 - 17 - 4839/3.7=2, 2.9/6774=2 HD2 LYS 115 - HE2 LYS 65 OK 16 92 - 17 - 4839/3.7=2, 2.9/6774=2 HG LEU 114 - HE3 LYS 17 poor 9 79 - 12 - 2.1/11218=3, ~11514=3...(5) HG LEU 114 - HE2 LYS 115 lone 3 96 - 4 - HG LEU 114 - HE3 LYS 115 lone 3 96 - 4 - HD3 LYS 115 - HE3 LYS 16 lone 3 100 - 3 - HD3 LYS 115 - HE2 LYS 16 lone 3 100 - 3 - HD2 LYS 115 - HE3 LYS 16 lone 3 100 - 3 - HD2 LYS 115 - HE2 LYS 16 lone 3 100 - 3 - HD2 LYS 65 - HE3 LYS 16 lone 3 99 - 3 - HD2 LYS 65 - HE2 LYS 16 lone 3 99 - 3 - HD3 LYS 65 - HE3 LYS 16 lone 3 95 - 3 - HD3 LYS 65 - HE2 LYS 16 lone 3 95 - 3 - HD2 LYS 65 - HE3 LYS 94 lone 2 87 - 2 - HD3 LYS 65 - HE3 LYS 94 lone 2 83 - 2 - HB ILE 5 - HE3 LYS 17 lone 1 67 - 2 - HD3 LYS 115 - HE3 LYS 94 lone 1 90 - 1 - HG LEU 114 - HE2 LYS 16 lone 1 95 - 1 - HG LEU 114 - HE3 LYS 16 lone 1 95 - 1 - HD2 LYS 115 - HE3 LYS 94 lone 1 89 - 1 - HG LEU 64 - HE2 LYS 115 lone 1 70 - 1 - HG LEU 64 - HE3 LYS 115 lone 1 70 - 1 - HG LEU 114 - HE3 LYS 65 lone 1 86 - 1 - HG LEU 114 - HE2 LYS 65 lone 1 86 - 1 - HD3 LYS 115 - HE3 LYS 17 lone 1 87 - 1 - HD2 LYS 115 - HE3 LYS 17 lone 1 86 - 1 - HG LEU 114 - HE3 LYS 94 lone 1 83 - 1 - HD2 LYS 49 - HE2 LYS 115 lone 1 98 - 1 - HD2 LYS 49 - HE3 LYS 115 lone 1 98 - 1 - HD3 LYS 49 - HE3 LYS 115 lone 1 98 - 1 - HD3 LYS 49 - HE2 LYS 115 lone 1 98 - 1 - HG LEU 64 - HE2 LYS 65 lone 0 60 - 1 - HG LEU 64 - HE3 LYS 65 lone 0 60 - 1 - HD3 LYS 49 - HE2 LYS 65 lone 0 89 - 0 - HD3 LYS 49 - HE3 LYS 65 lone 0 89 - 0 - HD2 LYS 49 - HE2 LYS 65 lone 0 89 - 0 - HD2 LYS 49 - HE3 LYS 65 lone 0 89 - 0 - HD2 LYS 65 - HE3 LYS 17 lone 0 84 - 0 - HD3 LYS 65 - HE3 LYS 17 lone 0 79 - 0 - HD2 LYS 49 - HE3 LYS 94 lone 0 86 - 0 - HD3 LYS 49 - HE3 LYS 94 lone 0 86 - 0 - HG3 ARG 95 - HE2 LYS 16 lone 0 73 - 0 - HG3 ARG 95 - HE3 LYS 16 lone 0 73 - 0 - HG LEU 64 - HE3 LYS 17 lone 0 54 - 1 - HD2 LYS 43 - HE3 LYS 16 lone 0 61 - 0 - HD2 LYS 43 - HE2 LYS 16 lone 0 61 - 0 - HG LEU 64 - HE2 LYS 16 lone 0 69 - 0 - HG LEU 64 - HE3 LYS 16 lone 0 69 - 0 - HD2 LYS 43 - HE3 LYS 94 lone 0 50 - 0 - HG LEU 64 - HE3 LYS 94 lone 0 57 - 0 - HB2 GLU 52 - HE3 LYS 115 lone 0 100 - 0 - HB2 GLU 52 - HE2 LYS 115 lone 0 100 - 0 - HB2 GLU 52 - HE3 LYS 65 lone 0 92 - 0 - HB2 GLU 52 - HE2 LYS 65 lone 0 92 - 0 - HB2 GLU 52 - HE3 LYS 94 lone 0 89 - 0 - HD2 LYS 49 - HE3 LYS 16 lone 0 98 - 0 - HD2 LYS 49 - HE2 LYS 16 lone 0 98 - 0 - HD3 LYS 49 - HE3 LYS 16 lone 0 98 - 0 - HD3 LYS 49 - HE2 LYS 16 lone 0 98 - 0 - HB2 ARG 30 - HE2 LYS 65 lone 0 91 - 0 - HB2 ARG 30 - HE3 LYS 65 lone 0 91 - 0 - HB2 ARG 30 - HE2 LYS 115 lone 0 99 - 0 - HB2 ARG 30 - HE3 LYS 115 lone 0 99 - 0 - HB2 GLU 52 - HE2 LYS 16 lone 0 100 - 0 - HB2 GLU 52 - HE3 LYS 16 lone 0 100 - 0 - HB ILE 5 - HE2 LYS 115 lone 0 84 - 0 - HB ILE 5 - HE3 LYS 115 lone 0 84 - 0 - HD2 LYS 49 - HE3 LYS 17 lone 0 83 - 0 - HD3 LYS 49 - HE3 LYS 17 lone 0 83 - 0 - HB2 ARG 30 - HE3 LYS 94 lone 0 87 - 0 - HB2 ARG 30 - HE2 LYS 16 lone 0 99 - 0 - HB2 ARG 30 - HE3 LYS 16 lone 0 99 - 0 - HG3 ARG 95 - HE3 LYS 115 lone 0 73 - 0 - HG3 ARG 95 - HE2 LYS 115 lone 0 73 - 0 - HG3 ARG 95 - HE3 LYS 94 lone 0 60 - 0 - HB ILE 5 - HE2 LYS 65 lone 0 73 - 0 - HB ILE 5 - HE3 LYS 65 lone 0 73 - 0 - HG3 ARG 95 - HE3 LYS 65 lone 0 63 - 0 - HG3 ARG 95 - HE2 LYS 65 lone 0 63 - 0 - HD2 LYS 43 - HE3 LYS 17 lone 0 47 - 0 - HB2 GLU 52 - HE3 LYS 17 lone 0 86 - 0 - HB2 ARG 30 - HE3 LYS 17 lone 0 84 - 0 - HB ILE 5 - HE3 LYS 16 lone 0 84 - 0 - HB ILE 5 - HE2 LYS 16 lone 0 84 - 0 - HD2 LYS 43 - HE3 LYS 65 lone 0 52 - 0 - HD2 LYS 43 - HE2 LYS 65 lone 0 52 - 0 - HB ILE 5 - HE3 LYS 94 lone 0 70 - 0 - HD2 LYS 43 - HE2 LYS 115 lone 0 61 - 0 - HD2 LYS 43 - HE3 LYS 115 lone 0 61 - 0 - HG3 ARG 95 - HE3 LYS 17 lone 0 57 - 0 - Peak 6777 from cnoeabs.peaks (2.91, 2.91, 41.78 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HE3 LYS 115 + HE3 LYS 115 OK 100 100 - 100 * HE2 LYS 115 + HE2 LYS 115 OK 100 100 - 100 HE2 LYS 16 + HE2 LYS 16 OK 100 100 - 100 HE3 LYS 16 + HE3 LYS 16 OK 100 100 - 100 HE3 LYS 65 + HE3 LYS 65 OK 88 88 - 100 HE2 LYS 65 + HE2 LYS 65 OK 88 88 - 100 HE3 LYS 94 + HE3 LYS 94 OK 83 83 - 100 HE3 LYS 17 + HE3 LYS 17 OK 77 77 - 100 Peak 6778 from cnoeabs.peaks (2.91, 2.91, 41.78 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HE3 LYS 115 + HE3 LYS 115 OK 100 100 - 100 HE2 LYS 115 + HE2 LYS 115 OK 100 100 - 100 HE2 LYS 16 + HE2 LYS 16 OK 100 100 - 100 HE3 LYS 16 + HE3 LYS 16 OK 100 100 - 100 HE3 LYS 65 + HE3 LYS 65 OK 88 88 - 100 HE2 LYS 65 + HE2 LYS 65 OK 88 88 - 100 HE3 LYS 94 + HE3 LYS 94 OK 83 83 - 100 HE3 LYS 17 + HE3 LYS 17 OK 77 77 - 100 Reference assignment not found: HE3 LYS 115 - HE2 LYS 115 Peak 6780 from cnoeabs.peaks (3.80, 2.91, 41.78 ppm; 6.20 A): 8 out of 32 assignments used, quality = 1.00: HA LYS 115 + HE2 LYS 115 OK 100 100 - 100 - 6.2=99, 6703/3.7=27...(48) * HA LYS 115 + HE3 LYS 115 OK 100 100 - 100 - 6.2=99, 6703/3.7=27...(48) HA LYS 65 + HE3 LYS 65 OK 87 89 - 98 - 6.7=80, 4797/3.7=29...(43) HA LYS 65 + HE2 LYS 65 OK 87 89 - 98 - 6.7=80, 4797/3.7=29...(43) HA LYS 65 + HE3 LYS 115 OK 72 98 - 74 - 4797/3.7=11, 4799/3.0=7...(49) HA LYS 65 + HE2 LYS 115 OK 72 98 - 74 - 4797/3.7=11, 4799/3.0=7...(49) HA LYS 115 + HE3 LYS 65 OK 72 93 - 78 - 6703/3.7=12, 8261/7.4=9...(52) HA LYS 115 + HE2 LYS 65 OK 72 93 - 78 - 6703/3.7=12, 8261/7.4=9...(52) HA LYS 115 - HE2 LYS 16 OK 20 100 - 20 - 8264/5.1=2, 8264/5.1=2...(6) HA LYS 115 - HE3 LYS 16 OK 20 100 - 20 - 8264/5.1=2, 8264/5.1=2...(6) HA LYS 65 - HE3 LYS 94 OK 14 86 - 16 - 8127/3.8=3, 4797/3.0=2...(4) HA LYS 65 - HE2 LYS 16 OK 11 98 - 11 - HA LYS 65 - HE3 LYS 16 OK 11 98 - 11 - HA LYS 115 - HE3 LYS 17 lone 8 87 - 9 - 3.0/1757=2, ~2883=2, ~2863=1 HA ALA 113 - HE2 LYS 115 lone 8 100 - 8 - ~10422=2, 6730/3.7=1 HA ALA 113 - HE3 LYS 115 lone 8 100 - 8 - ~10422=2, 6730/3.7=1 HA LYS 115 - HE3 LYS 94 lone 5 90 - 5 - HA ALA 113 - HE2 LYS 65 lone 4 93 - 5 - ~10422=1 HA ALA 113 - HE3 LYS 65 lone 4 93 - 5 - ~10422=1 HA LYS 65 - HE3 LYS 17 lone 4 83 - 5 - HA ALA 113 - HE2 LYS 16 lone 3 100 - 3 - HA ALA 113 - HE3 LYS 16 lone 3 100 - 3 - HA2 GLY 26 - HE2 LYS 115 lone 3 77 - 4 - HA2 GLY 26 - HE3 LYS 115 lone 3 77 - 4 - HA ALA 113 - HE3 LYS 17 lone 2 87 - 2 - HA ALA 113 - HE3 LYS 94 lone 2 90 - 2 - HA2 GLY 26 - HE3 LYS 65 lone 2 67 - 2 - HA2 GLY 26 - HE2 LYS 65 lone 2 67 - 2 - HA2 GLY 26 - HE3 LYS 16 lone 1 77 - 2 - HA2 GLY 26 - HE2 LYS 16 lone 1 77 - 2 - HA2 GLY 26 - HE3 LYS 94 lone 1 64 - 2 - HA2 GLY 26 - HE3 LYS 17 lone 1 61 - 2 - Peak 6781 from cnoeabs.peaks (1.93, 2.91, 41.78 ppm; 3.34 A): 13 out of 128 assignments used, quality = 1.00: * HB2 LYS 115 + HE3 LYS 115 OK 76 100 - 76 - 4.8=33, 3.0/6774=8...(55) HB2 LYS 115 + HE2 LYS 115 OK 76 100 - 76 - 4.8=33, 3.0/6774=8...(55) HB3 LYS 65 + HE3 LYS 65 OK 74 91 - 82 - 4.8=34, 2.9/4878=6...(74) HB3 LYS 65 + HE2 LYS 65 OK 74 91 - 82 - 4.8=34, 2.9/4878=6...(74) HB3 LYS 115 + HE2 LYS 115 OK 74 98 - 75 - 4.8=33, 3.0/6784=8...(51) HB3 LYS 115 + HE3 LYS 115 OK 74 98 - 75 - 4.8=33, 3.0/6784=8...(51) HB2 LYS 65 + HE2 LYS 65 OK 73 89 - 82 - 4.8=34, 2.9/4868=6...(74) HB2 LYS 65 + HE3 LYS 65 OK 73 89 - 82 - 4.8=34, 2.9/4868=6...(74) HB3 LYS 17 + HE3 LYS 17 OK 65 83 - 79 - 4.9=32, 2863/2.9=18...(15) HB3 LYS 65 + HE3 LYS 115 OK 50 99 - 51 - 2.9/4868=3, 2.9/4832=2...(20) HB3 LYS 65 + HE2 LYS 115 OK 50 99 - 51 - 2.9/4868=3, 2.9/4832=2...(20) HB2 LYS 65 + HE2 LYS 115 OK 50 98 - 51 - 2.9/4868=3, 2.9/4831=2...(20) HB2 LYS 65 + HE3 LYS 115 OK 50 98 - 51 - 2.9/4868=3, 2.9/4831=2...(20) HB2 LYS 115 - HE2 LYS 65 OK 36 93 - 39 - 3.0/6774=3, 3.0/6737=2...(12) HB2 LYS 115 - HE3 LYS 65 OK 36 93 - 39 - 3.0/6774=3, 3.0/6737=2...(12) HB3 LYS 115 - HE2 LYS 65 OK 35 89 - 39 - 3.0/6774=3, 3.0/6738=2...(12) HB3 LYS 115 - HE3 LYS 65 OK 35 89 - 39 - 3.0/6774=3, 3.0/6738=2...(12) HB3 LYS 40 - HE2 LYS 16 OK 27 69 - 39 - 1.8/2892=4, 2.7/2794=4...(19) HB3 LYS 40 - HE3 LYS 16 OK 27 69 - 39 - 1.8/2892=4, 2.7/2794=4...(19) HB ILE 15 - HE3 LYS 17 OK 11 67 - 17 - 2863/2.9=4, ~11480=4...(7) HB2 LYS 115 - HE3 LYS 16 lone 7 100 - 7 - HB2 LYS 115 - HE2 LYS 16 lone 7 100 - 7 - HB3 LYS 17 - HE3 LYS 16 lone 7 98 - 7 - ~2816=1 HB3 LYS 17 - HE2 LYS 16 lone 7 98 - 7 - ~2816=1 HB3 LYS 115 - HE3 LYS 16 lone 7 98 - 7 - HB3 LYS 115 - HE2 LYS 16 lone 7 98 - 7 - HB VAL 104 - HE2 LYS 115 lone 6 65 - 10 - 10225/3.7=2, 2.1/10234=2 HB VAL 104 - HE3 LYS 115 lone 6 65 - 10 - 10225/3.7=2, 2.1/10234=2 HB3 LYS 65 - HE2 LYS 16 lone 6 99 - 6 - HB3 LYS 65 - HE3 LYS 16 lone 6 99 - 6 - HB2 LYS 65 - HE2 LYS 16 lone 6 98 - 6 - HB2 LYS 65 - HE3 LYS 16 lone 6 98 - 6 - HB VAL 104 - HE3 LYS 94 lone 5 53 - 10 - 2.1/10234=5, 2.1/11307=2...(4) HB2 LEU 81 - HE2 LYS 65 lone 5 84 - 6 - HB2 LEU 81 - HE3 LYS 65 lone 5 84 - 6 - HB2 LYS 115 - HE3 LYS 17 lone 5 87 - 5 - HB2 LYS 65 - HE3 LYS 94 lone 5 86 - 5 - HB3 LYS 65 - HE3 LYS 94 lone 4 87 - 5 - HB2 LEU 70 - HE3 LYS 94 lone 4 67 - 6 - 3.1/11307=1, 3.1/11307=1 HB2 LYS 39 - HE3 LYS 16 lone 4 98 - 4 - HB2 LYS 39 - HE2 LYS 16 lone 4 98 - 4 - HB3 LYS 115 - HE3 LYS 17 lone 4 83 - 5 - HB3 LYS 40 - HE3 LYS 17 lone 3 54 - 6 - ~2882=1 HB2 LYS 123 - HE3 LYS 17 lone 3 83 - 3 - HB2 LYS 123 - HE3 LYS 16 lone 3 98 - 3 - HB2 LYS 123 - HE2 LYS 16 lone 3 98 - 3 - HB2 LEU 81 - HE3 LYS 115 lone 3 94 - 3 - HB2 LEU 81 - HE2 LYS 115 lone 3 94 - 3 - HB3 LYS 123 - HE2 LYS 16 lone 3 80 - 3 - HB3 LYS 123 - HE3 LYS 16 lone 3 80 - 3 - HB3 LYS 17 - HE3 LYS 115 lone 3 98 - 3 - HB3 LYS 17 - HE2 LYS 115 lone 3 98 - 3 - HB2 LYS 123 - HE2 LYS 115 lone 3 98 - 3 - HB2 LYS 123 - HE3 LYS 115 lone 3 98 - 3 - HB3 LYS 123 - HE3 LYS 115 lone 2 81 - 3 - HB3 LYS 123 - HE2 LYS 115 lone 2 81 - 3 - HB2 LYS 123 - HE3 LYS 65 lone 2 89 - 3 - HB2 LYS 123 - HE2 LYS 65 lone 2 89 - 3 - HB ILE 15 - HE3 LYS 16 lone 2 84 - 3 - 7360/7.4=2 HB ILE 15 - HE2 LYS 16 lone 2 84 - 3 - 7360/7.4=2 HB3 LYS 115 - HE3 LYS 94 lone 2 86 - 3 - HB2 LYS 123 - HE3 LYS 94 lone 2 86 - 2 - HB3 LYS 123 - HE3 LYS 17 lone 2 64 - 3 - HB2 LYS 115 - HE3 LYS 94 lone 2 90 - 2 - HB3 LYS 65 - HE3 LYS 17 lone 2 84 - 2 - HB2 LYS 65 - HE3 LYS 17 lone 2 83 - 2 - HB3 LYS 123 - HE2 LYS 65 lone 2 70 - 3 - HB3 LYS 123 - HE3 LYS 65 lone 2 70 - 3 - HB VAL 104 - HE2 LYS 65 lone 2 56 - 3 - HB VAL 104 - HE3 LYS 65 lone 2 56 - 3 - HB3 LYS 123 - HE3 LYS 94 lone 1 67 - 2 - HB3 LYS 40 - HE3 LYS 115 lone 1 70 - 2 - HB3 LYS 40 - HE2 LYS 115 lone 1 70 - 2 - HB2 LYS 44 - HE3 LYS 65 lone 1 60 - 2 - HB2 LYS 44 - HE2 LYS 65 lone 1 60 - 2 - HB2 LYS 39 - HE3 LYS 94 lone 1 86 - 1 - HB2 LYS 44 - HE2 LYS 16 lone 1 69 - 2 - HB2 LYS 44 - HE3 LYS 16 lone 1 69 - 2 - HB2 LYS 39 - HE3 LYS 115 lone 1 98 - 1 - HB2 LYS 39 - HE2 LYS 115 lone 1 98 - 1 - HB2 LEU 70 - HE2 LYS 65 lone 1 70 - 1 - HB2 LEU 70 - HE3 LYS 65 lone 1 70 - 1 - HB2 LYS 44 - HE3 LYS 17 lone 1 54 - 2 - HB2 LEU 81 - HE3 LYS 94 lone 1 81 - 1 - HB2 LYS 39 - HE2 LYS 65 lone 1 89 - 1 - HB2 LYS 39 - HE3 LYS 65 lone 1 89 - 1 - HB2 LYS 44 - HE3 LYS 94 lone 1 57 - 2 - HB2 LEU 70 - HE3 LYS 115 lone 1 81 - 1 - HB2 LEU 70 - HE2 LYS 115 lone 1 81 - 1 - HB2 LYS 39 - HE3 LYS 17 lone 1 83 - 1 - HB2 LEU 81 - HE3 LYS 17 lone 1 77 - 1 - HG2 MET 121 - HE3 LYS 17 lone 1 72 - 1 - HB2 LEU 81 - HE2 LYS 16 lone 1 94 - 1 - HB2 LEU 81 - HE3 LYS 16 lone 1 94 - 1 - HB3 LYS 40 - HE2 LYS 65 lone 1 60 - 1 - HB3 LYS 40 - HE3 LYS 65 lone 1 60 - 1 - HB3 LYS 40 - HE3 LYS 94 lone 1 57 - 1 - HB2 LEU 127 - HE3 LYS 17 lone 1 84 - 1 - HB ILE 15 - HE3 LYS 115 lone 1 84 - 1 - HB ILE 15 - HE2 LYS 115 lone 1 84 - 1 - HB VAL 104 - HE2 LYS 16 lone 1 65 - 1 - HB VAL 104 - HE3 LYS 16 lone 1 65 - 1 - HB2 LEU 70 - HE2 LYS 16 lone 0 80 - 1 - HB2 LEU 70 - HE3 LYS 16 lone 0 80 - 1 - HB2 LEU 127 - HE2 LYS 16 lone 0 99 - 0 - HB2 LEU 127 - HE3 LYS 16 lone 0 99 - 0 - HB2 LEU 127 - HE3 LYS 115 lone 0 99 - 0 - HB2 LEU 127 - HE2 LYS 115 lone 0 99 - 0 - HB3 LYS 17 - HE2 LYS 65 lone 0 89 - 0 - HB3 LYS 17 - HE3 LYS 65 lone 0 89 - 0 - HB2 LEU 127 - HE2 LYS 65 lone 0 91 - 0 - HB2 LEU 127 - HE3 LYS 65 lone 0 91 - 0 - HG2 MET 121 - HE2 LYS 65 lone 0 79 - 1 - HG2 MET 121 - HE3 LYS 65 lone 0 79 - 1 - HG2 MET 121 - HE2 LYS 115 lone 0 90 - 0 - HG2 MET 121 - HE3 LYS 115 lone 0 90 - 0 - HG2 MET 121 - HE3 LYS 16 lone 0 89 - 0 - HG2 MET 121 - HE2 LYS 16 lone 0 89 - 0 - HB3 LYS 17 - HE3 LYS 94 lone 0 86 - 0 - HB2 LEU 127 - HE3 LYS 94 lone 0 87 - 0 - HB2 LYS 44 - HE2 LYS 115 lone 0 70 - 0 - HB2 LYS 44 - HE3 LYS 115 lone 0 70 - 0 - HG2 MET 121 - HE3 LYS 94 lone 0 76 - 0 - HB ILE 15 - HE2 LYS 65 lone 0 73 - 0 - HB ILE 15 - HE3 LYS 65 lone 0 73 - 0 - HB ILE 15 - HE3 LYS 94 lone 0 70 - 0 - HB2 LEU 70 - HE3 LYS 17 lone 0 64 - 0 - HB VAL 104 - HE3 LYS 17 lone 0 50 - 0 - Peak 6782 from cnoeabs.peaks (1.93, 2.91, 41.78 ppm; 3.34 A): 13 out of 160 assignments used, quality = 1.00: HB2 LYS 65 + HE2 LYS 65 OK 76 93 - 82 - 4.8=34, 2.9/4878=6...(74) HB2 LYS 65 + HE3 LYS 65 OK 76 93 - 82 - 4.8=34, 2.9/4878=6...(74) HB3 LYS 65 + HE2 LYS 65 OK 76 93 - 82 - 4.8=34, 2.9/4868=6...(74) HB3 LYS 65 + HE3 LYS 65 OK 76 93 - 82 - 4.8=34, 2.9/4868=6...(74) * HB3 LYS 115 + HE3 LYS 115 OK 75 100 - 75 - 4.8=33, 3.0/6784=8...(51) HB3 LYS 115 + HE2 LYS 115 OK 75 100 - 75 - 4.8=33, 3.0/6784=8...(51) HB2 LYS 115 + HE3 LYS 115 OK 74 98 - 76 - 4.8=33, 3.0/6784=8...(55) HB2 LYS 115 + HE2 LYS 115 OK 74 98 - 76 - 4.8=33, 3.0/6784=8...(55) HB3 LYS 17 + HE3 LYS 17 OK 53 70 - 77 - 4.9=32, 2863/2.9=14...(15) HB2 LYS 65 + HE3 LYS 115 OK 51 100 - 51 - 2.9/4868=3, 2.9/4831=2...(20) HB2 LYS 65 + HE2 LYS 115 OK 51 100 - 51 - 2.9/4868=3, 2.9/4831=2...(20) HB3 LYS 65 + HE2 LYS 115 OK 51 100 - 51 - 2.9/4868=3, 2.9/4832=2...(20) HB3 LYS 65 + HE3 LYS 115 OK 51 100 - 51 - 2.9/4868=3, 2.9/4832=2...(20) HB3 LYS 115 - HE2 LYS 65 OK 36 93 - 39 - 3.0/6774=3, 3.0/6737=2...(12) HB3 LYS 115 - HE3 LYS 65 OK 36 93 - 39 - 3.0/6774=3, 3.0/6737=2...(12) HB3 LYS 40 - HE2 LYS 16 OK 36 89 - 41 - 1.8/2892=4, 2.7/2804=4...(19) HB3 LYS 40 - HE3 LYS 16 OK 36 89 - 41 - 1.8/2892=4, 2.7/2804=4...(19) HB2 LYS 115 - HE2 LYS 65 OK 35 89 - 39 - 3.0/6774=3, 3.0/6737=2...(12) HB2 LYS 115 - HE3 LYS 65 OK 35 89 - 39 - 3.0/6774=3, 3.0/6737=2...(12) HB VAL 104 - HE3 LYS 115 poor 10 87 - 11 - 10225/3.7=4, 2.1/10234=2 HB VAL 104 - HE2 LYS 115 poor 10 87 - 11 - 10225/3.7=4, 2.1/10234=2 HB VAL 104 - HE3 LYS 94 poor 7 73 - 10 - 2.1/10234=5, 2.1/11307=2...(4) HB ILE 15 - HE3 LYS 17 poor 7 47 - 16 - ~11480=4, 2863/2.9=3...(7) HB3 LYS 115 - HE3 LYS 16 lone 7 100 - 7 - HB3 LYS 115 - HE2 LYS 16 lone 7 100 - 7 - HB2 LYS 115 - HE3 LYS 16 lone 7 98 - 7 - HB2 LYS 115 - HE2 LYS 16 lone 7 98 - 7 - HB3 LYS 17 - HE3 LYS 16 lone 6 87 - 7 - ~2816=1 HB3 LYS 17 - HE2 LYS 16 lone 6 87 - 7 - ~2816=1 HB3 LYS 65 - HE2 LYS 16 lone 6 100 - 6 - HB3 LYS 65 - HE3 LYS 16 lone 6 100 - 6 - HB2 LYS 65 - HE2 LYS 16 lone 6 100 - 6 - HB2 LYS 65 - HE3 LYS 16 lone 6 100 - 6 - HB2 LEU 70 - HE3 LYS 94 lone 5 83 - 7 - 3.1/11307=1, 3.1/11307=1 HB2 LYS 65 - HE3 LYS 94 lone 5 90 - 5 - HB3 LYS 65 - HE3 LYS 94 lone 5 90 - 5 - HB2 LYS 39 - HE3 LYS 16 lone 4 100 - 4 - HB2 LYS 39 - HE2 LYS 16 lone 4 100 - 4 - HB3 LYS 40 - HE3 LYS 17 lone 4 72 - 6 - ~2882=1 HB3 LYS 115 - HE3 LYS 17 lone 4 87 - 5 - HB2 LYS 115 - HE3 LYS 17 lone 4 83 - 5 - HB3 LYS 39 - HE2 LYS 16 lone 4 80 - 5 - HB3 LYS 39 - HE3 LYS 16 lone 4 80 - 5 - HB2 LEU 81 - HE2 LYS 65 lone 4 67 - 6 - HB2 LEU 81 - HE3 LYS 65 lone 4 67 - 6 - HB2 LYS 123 - HE2 LYS 16 lone 3 100 - 3 - HB2 LYS 123 - HE3 LYS 16 lone 3 100 - 3 - HB2 LYS 123 - HE3 LYS 17 lone 3 87 - 3 - HB2 LYS 123 - HE2 LYS 115 lone 3 100 - 3 - HB2 LYS 123 - HE3 LYS 115 lone 3 100 - 3 - HB VAL 104 - HE2 LYS 65 lone 2 76 - 3 - HB VAL 104 - HE3 LYS 65 lone 2 76 - 3 - HB2 LYS 123 - HE3 LYS 65 lone 2 93 - 3 - HB2 LYS 123 - HE2 LYS 65 lone 2 93 - 3 - HB3 LYS 115 - HE3 LYS 94 lone 2 90 - 3 - HB2 LYS 123 - HE3 LYS 94 lone 2 90 - 3 - HB3 LYS 17 - HE2 LYS 115 lone 2 87 - 3 - HB3 LYS 17 - HE3 LYS 115 lone 2 87 - 3 - HB2 LEU 81 - HE3 LYS 115 lone 2 77 - 3 - HB2 LEU 81 - HE2 LYS 115 lone 2 77 - 3 - HB2 LYS 115 - HE3 LYS 94 lone 2 86 - 2 - HB3 LYS 65 - HE3 LYS 17 lone 2 87 - 2 - HB2 LYS 65 - HE3 LYS 17 lone 2 87 - 2 - HB3 LYS 40 - HE3 LYS 115 lone 2 90 - 2 - HB3 LYS 40 - HE2 LYS 115 lone 2 90 - 2 - HB2 LYS 39 - HE3 LYS 94 lone 1 90 - 1 - HB2 LEU 70 - HE3 LYS 65 lone 1 86 - 1 - HB2 LEU 70 - HE2 LYS 65 lone 1 86 - 1 - HB2 LYS 39 - HE2 LYS 115 lone 1 100 - 1 - HB2 LYS 39 - HE3 LYS 115 lone 1 100 - 1 - HB3 MET 42 - HE3 LYS 16 lone 1 73 - 1 - HB3 MET 42 - HE2 LYS 16 lone 1 73 - 1 - HB2 LEU 70 - HE3 LYS 115 lone 1 96 - 1 - HB2 LEU 70 - HE2 LYS 115 lone 1 96 - 1 - HB ILE 15 - HE3 LYS 16 lone 1 61 - 2 - 77/7.4=1 HB ILE 15 - HE2 LYS 16 lone 1 61 - 2 - 77/7.4=1 HB VAL 29 - HE3 LYS 94 lone 1 50 - 2 - HB2 LYS 39 - HE2 LYS 65 lone 1 93 - 1 - HB2 LYS 39 - HE3 LYS 65 lone 1 93 - 1 - HB3 LYS 40 - HE3 LYS 94 lone 1 76 - 1 - HB3 LYS 39 - HE3 LYS 94 lone 1 67 - 1 - HB3 LYS 40 - HE2 LYS 65 lone 1 79 - 1 - HB3 LYS 40 - HE3 LYS 65 lone 1 79 - 1 - HB3 LYS 39 - HE3 LYS 115 lone 1 81 - 1 - HB3 LYS 39 - HE2 LYS 115 lone 1 81 - 1 - HB3 MET 42 - HE3 LYS 94 lone 1 60 - 1 - HB3 GLU 41 - HE3 LYS 16 lone 1 77 - 1 - HB3 GLU 41 - HE2 LYS 16 lone 1 77 - 1 - HB2 LYS 39 - HE3 LYS 17 lone 1 87 - 1 - HB2 GLU 41 - HE3 LYS 16 lone 1 73 - 1 - HB2 GLU 41 - HE2 LYS 16 lone 1 73 - 1 - HB VAL 104 - HE2 LYS 16 lone 1 87 - 1 - HB VAL 104 - HE3 LYS 16 lone 1 87 - 1 - HB3 LYS 39 - HE2 LYS 65 lone 1 70 - 1 - HB3 LYS 39 - HE3 LYS 65 lone 1 70 - 1 - HB2 LEU 81 - HE3 LYS 94 lone 1 64 - 1 - HB2 LEU 70 - HE3 LYS 16 lone 1 95 - 1 - HB2 LEU 70 - HE2 LYS 16 lone 1 95 - 1 - HB2 LEU 127 - HE3 LYS 17 lone 1 87 - 1 - HB VAL 29 - HE3 LYS 115 lone 1 61 - 1 - HB VAL 29 - HE2 LYS 115 lone 1 61 - 1 - HB2 LEU 81 - HE3 LYS 16 lone 1 77 - 1 - HB2 LEU 81 - HE2 LYS 16 lone 1 77 - 1 - HB3 LYS 39 - HE3 LYS 17 lone 1 64 - 1 - HB2 LEU 127 - HE3 LYS 16 lone 0 100 - 0 - HB2 LEU 127 - HE2 LYS 16 lone 0 100 - 0 - HB2 LEU 81 - HE3 LYS 17 lone 0 61 - 1 - HB2 LEU 127 - HE2 LYS 115 lone 0 100 - 0 - HB2 LEU 127 - HE3 LYS 115 lone 0 100 - 0 - HB2 LEU 127 - HE2 LYS 65 lone 0 93 - 0 - HB2 LEU 127 - HE3 LYS 65 lone 0 93 - 0 - HG2 MET 121 - HE3 LYS 17 lone 0 54 - 1 - HB2 LEU 127 - HE3 LYS 94 lone 0 90 - 0 - HB VAL 29 - HE2 LYS 16 lone 0 61 - 1 - HB VAL 29 - HE3 LYS 16 lone 0 61 - 1 - HB3 LYS 17 - HE2 LYS 65 lone 0 76 - 0 - HB3 LYS 17 - HE3 LYS 65 lone 0 76 - 0 - HB3 LYS 17 - HE3 LYS 94 lone 0 73 - 0 - HB ILE 15 - HE3 LYS 115 lone 0 61 - 1 - HB ILE 15 - HE2 LYS 115 lone 0 61 - 1 - HB3 GLU 41 - HE2 LYS 115 lone 0 77 - 0 - HB3 GLU 41 - HE3 LYS 115 lone 0 77 - 0 - HG2 MET 121 - HE2 LYS 115 lone 0 70 - 0 - HG2 MET 121 - HE3 LYS 115 lone 0 70 - 0 - HB2 GLU 41 - HE2 LYS 115 lone 0 73 - 0 - HB2 GLU 41 - HE3 LYS 115 lone 0 73 - 0 - HB2 LEU 70 - HE3 LYS 17 lone 0 79 - 0 - HB3 MET 42 - HE2 LYS 115 lone 0 73 - 0 - HB3 MET 42 - HE3 LYS 115 lone 0 73 - 0 - HB VAL 104 - HE3 LYS 17 lone 0 70 - 0 - HB3 MET 42 - HE3 LYS 17 lone 0 57 - 0 - HG2 MET 121 - HE3 LYS 16 lone 0 69 - 0 - HG2 MET 121 - HE2 LYS 16 lone 0 69 - 0 - HB3 GLU 52 - HE3 LYS 94 lone 0 53 - 0 - HB3 GLU 52 - HE2 LYS 115 lone 0 65 - 0 - HB3 GLU 52 - HE3 LYS 115 lone 0 65 - 0 - HB3 GLU 41 - HE3 LYS 65 lone 0 67 - 0 - HB3 GLU 41 - HE2 LYS 65 lone 0 67 - 0 - HG2 MET 121 - HE3 LYS 65 lone 0 60 - 0 - HG2 MET 121 - HE2 LYS 65 lone 0 60 - 0 - HB3 GLU 52 - HE2 LYS 16 lone 0 65 - 0 - HB3 GLU 52 - HE3 LYS 16 lone 0 65 - 0 - HB3 GLU 41 - HE3 LYS 94 lone 0 64 - 0 - HB2 GLU 41 - HE3 LYS 65 lone 0 63 - 0 - HB2 GLU 41 - HE2 LYS 65 lone 0 63 - 0 - HB VAL 29 - HE3 LYS 65 lone 0 52 - 0 - HB VAL 29 - HE2 LYS 65 lone 0 52 - 0 - HB3 MET 42 - HE3 LYS 65 lone 0 63 - 0 - HB3 MET 42 - HE2 LYS 65 lone 0 63 - 0 - HB2 GLU 41 - HE3 LYS 94 lone 0 60 - 0 - HB3 GLU 41 - HE3 LYS 17 lone 0 61 - 0 - HB3 GLU 52 - HE2 LYS 65 lone 0 56 - 0 - HB3 GLU 52 - HE3 LYS 65 lone 0 56 - 0 - HB2 GLU 41 - HE3 LYS 17 lone 0 57 - 0 - HG2 MET 121 - HE3 LYS 94 lone 0 57 - 0 - HB VAL 29 - HE3 LYS 17 lone 0 47 - 0 - HB ILE 15 - HE3 LYS 65 lone 0 52 - 0 - HB ILE 15 - HE2 LYS 65 lone 0 52 - 0 - HB ILE 15 - HE3 LYS 94 lone 0 50 - 0 - HB3 GLU 52 - HE3 LYS 17 lone 0 50 - 0 - Peak 6783 from cnoeabs.peaks (1.56, 2.91, 41.78 ppm; 3.09 A): 4 out of 88 assignments used, quality = 1.00: HG2 LYS 115 + HE2 LYS 115 OK 83 100 - 83 - 3.7=58, 1.8/6774=9...(28) * HG2 LYS 115 + HE3 LYS 115 OK 83 100 - 83 - 3.7=58, 1.8/6774=9...(28) HG2 LYS 65 + HE2 LYS 65 OK 64 76 - 84 - 3.7=58, 1.8/4868=7...(31) HG2 LYS 65 + HE3 LYS 65 OK 64 76 - 84 - 3.7=58, 1.8/4868=7...(31) HG2 LYS 65 - HE2 LYS 115 OK 35 87 - 40 - 1.8/4868=3, 6738=2...(12) HG2 LYS 65 - HE3 LYS 115 OK 35 87 - 40 - 1.8/4868=3, 6738=2...(12) HG2 LYS 115 - HE2 LYS 65 OK 29 93 - 31 - 1.8/6784=3, 6738=2...(7) HG2 LYS 115 - HE3 LYS 65 OK 29 93 - 31 - 1.8/6784=3, 6738=2...(7) HG3 LYS 96 - HE2 LYS 65 lone 7 84 - 9 - HG3 LYS 96 - HE3 LYS 65 lone 7 84 - 9 - HG2 LYS 115 - HE3 LYS 16 lone 7 100 - 7 - HG2 LYS 115 - HE2 LYS 16 lone 7 100 - 7 - HG2 LYS 65 - HE2 LYS 16 lone 4 87 - 4 - HG2 LYS 65 - HE3 LYS 16 lone 4 87 - 4 - HB3 LEU 70 - HE3 LYS 94 lone 4 81 - 4 - 3.1/11307=1, 3.1/11307=1 HG3 LYS 96 - HE3 LYS 16 lone 3 94 - 3 - HG3 LYS 96 - HE2 LYS 16 lone 3 94 - 3 - HG2 LYS 123 - HE2 LYS 115 lone 2 81 - 3 - HG2 LYS 123 - HE3 LYS 115 lone 2 81 - 3 - HG2 LYS 115 - HE3 LYS 17 lone 2 87 - 3 - HG2 LYS 65 - HE3 LYS 94 lone 2 73 - 3 - HG2 LYS 115 - HE3 LYS 94 lone 2 90 - 2 - HG2 LYS 123 - HE3 LYS 65 lone 2 70 - 3 - HG2 LYS 123 - HE2 LYS 65 lone 2 70 - 3 - HG2 LYS 123 - HE2 LYS 16 lone 2 80 - 2 - HG2 LYS 123 - HE3 LYS 16 lone 2 80 - 2 - HG3 LYS 96 - HE3 LYS 94 lone 2 81 - 2 - HG2 LYS 123 - HE3 LYS 94 lone 1 67 - 2 - HG2 LYS 123 - HE3 LYS 17 lone 1 64 - 2 - HG3 LYS 96 - HE2 LYS 115 lone 1 94 - 1 - HG3 LYS 96 - HE3 LYS 115 lone 1 94 - 1 - HG LEU 55 - HE2 LYS 115 lone 1 99 - 1 - HG LEU 55 - HE3 LYS 115 lone 1 99 - 1 - HB3 LEU 70 - HE2 LYS 65 lone 1 84 - 1 - HB3 LEU 70 - HE3 LYS 65 lone 1 84 - 1 - QB ALA 46 - HE3 LYS 94 lone 1 76 - 1 - HB3 LEU 70 - HE2 LYS 115 lone 1 94 - 1 - HB3 LEU 70 - HE3 LYS 115 lone 1 94 - 1 - HG LEU 55 - HE3 LYS 94 lone 1 87 - 1 - HG3 LYS 96 - HE3 LYS 17 lone 1 77 - 1 - HG LEU 55 - HE3 LYS 17 lone 1 84 - 1 - HD3 LYS 106 - HE2 LYS 115 lone 1 100 - 1 - HD3 LYS 106 - HE3 LYS 115 lone 1 100 - 1 - HD2 LYS 106 - HE3 LYS 115 lone 1 100 - 1 - HD2 LYS 106 - HE2 LYS 115 lone 1 100 - 1 - HG2 LYS 65 - HE3 LYS 17 lone 1 70 - 1 - HG12 ILE 3 - HE3 LYS 115 lone 1 100 - 1 - HG12 ILE 3 - HE2 LYS 115 lone 1 100 - 1 - HG LEU 55 - HE2 LYS 65 lone 1 91 - 1 - HG LEU 55 - HE3 LYS 65 lone 1 91 - 1 - QB ALA 46 - HE2 LYS 65 lone 1 79 - 1 - QB ALA 46 - HE3 LYS 65 lone 1 79 - 1 - HB3 LEU 70 - HE3 LYS 16 lone 0 94 - 1 - HB3 LEU 70 - HE2 LYS 16 lone 0 94 - 1 - HG12 ILE 3 - HE3 LYS 17 lone 0 87 - 1 - QB ALA 46 - HE3 LYS 115 lone 0 90 - 1 - QB ALA 46 - HE2 LYS 115 lone 0 90 - 1 - HB VAL 78 - HE3 LYS 115 lone 0 99 - 0 - HB VAL 78 - HE2 LYS 115 lone 0 99 - 0 - HD2 LYS 106 - HE3 LYS 65 lone 0 93 - 0 - HD2 LYS 106 - HE2 LYS 65 lone 0 93 - 0 - HD3 LYS 106 - HE2 LYS 65 lone 0 93 - 0 - HD3 LYS 106 - HE3 LYS 65 lone 0 93 - 0 - HG LEU 55 - HE2 LYS 16 lone 0 99 - 0 - HG LEU 55 - HE3 LYS 16 lone 0 99 - 0 - HG12 ILE 3 - HE3 LYS 65 lone 0 93 - 0 - HG12 ILE 3 - HE2 LYS 65 lone 0 93 - 0 - HD2 LYS 106 - HE3 LYS 94 lone 0 90 - 0 - HD3 LYS 106 - HE3 LYS 94 lone 0 90 - 0 - HB VAL 78 - HE2 LYS 65 lone 0 92 - 0 - HB VAL 78 - HE3 LYS 65 lone 0 92 - 0 - HD2 LYS 106 - HE3 LYS 16 lone 0 100 - 0 - HD2 LYS 106 - HE2 LYS 16 lone 0 100 - 0 - HD3 LYS 106 - HE2 LYS 16 lone 0 100 - 0 - HD3 LYS 106 - HE3 LYS 16 lone 0 100 - 0 - HB VAL 78 - HE3 LYS 17 lone 0 85 - 0 - QB ALA 46 - HE3 LYS 17 lone 0 72 - 0 - QB ALA 46 - HE3 LYS 16 lone 0 89 - 0 - QB ALA 46 - HE2 LYS 16 lone 0 89 - 0 - HG12 ILE 3 - HE2 LYS 16 lone 0 100 - 0 - HG12 ILE 3 - HE3 LYS 16 lone 0 100 - 0 - HG12 ILE 3 - HE3 LYS 94 lone 0 90 - 0 - HB VAL 78 - HE3 LYS 16 lone 0 99 - 0 - HB VAL 78 - HE2 LYS 16 lone 0 99 - 0 - HB VAL 78 - HE3 LYS 94 lone 0 89 - 0 - HD2 LYS 106 - HE3 LYS 17 lone 0 87 - 0 - HD3 LYS 106 - HE3 LYS 17 lone 0 87 - 0 - HB3 LEU 70 - HE3 LYS 17 lone 0 77 - 0 - Peak 6784 from cnoeabs.peaks (1.30, 2.91, 41.78 ppm; 3.61 A): 2 out of 16 assignments used, quality = 1.00: HG3 LYS 115 + HE2 LYS 115 OK 98 100 - 98 - 3.7=94, 1.8/6737=7...(45) * HG3 LYS 115 + HE3 LYS 115 OK 98 100 - 98 - 3.7=94, 1.8/6737=7...(45) HG3 LYS 115 - HE3 LYS 65 OK 37 93 - 40 - 1.8/6737=3, ~6738=2...(13) HG3 LYS 115 - HE2 LYS 65 OK 37 93 - 40 - 1.8/6737=3, ~6738=2...(13) HG3 LYS 115 - HE3 LYS 16 lone 8 100 - 8 - HG3 LYS 115 - HE2 LYS 16 lone 8 100 - 8 - HG3 LYS 115 - HE3 LYS 17 lone 3 87 - 3 - HB3 LEU 80 - HE3 LYS 17 lone 3 70 - 4 - HG3 LYS 115 - HE3 LYS 94 lone 3 90 - 3 - HB3 LEU 80 - HE2 LYS 115 lone 2 87 - 3 - HB3 LEU 80 - HE3 LYS 115 lone 2 87 - 3 - HB3 LEU 80 - HE3 LYS 94 lone 1 73 - 2 - HB3 LEU 80 - HE2 LYS 65 lone 1 76 - 2 - HB3 LEU 80 - HE3 LYS 65 lone 1 76 - 2 - HB3 LEU 80 - HE2 LYS 16 lone 1 87 - 1 - HB3 LEU 80 - HE3 LYS 16 lone 1 87 - 1 - Peak 6785 from cnoeabs.peaks (1.66, 2.91, 41.78 ppm; 2.49 A): 8 out of 104 assignments used, quality = 1.00: * HD2 LYS 115 + HE3 LYS 115 OK 74 100 - 74 - 3.0=60, 2.9/6774=4...(19) HD2 LYS 115 + HE2 LYS 115 OK 74 100 - 74 - 3.0=60, 2.9/6784=4...(19) HD3 LYS 115 + HE3 LYS 115 OK 74 100 - 74 - 3.0=60, 2.9/6784=4...(19) HD3 LYS 115 + HE2 LYS 115 OK 74 100 - 74 - 3.0=60, 2.9/6774=4...(19) HD2 LYS 65 + HE2 LYS 65 OK 71 93 - 76 - 3.0=59, 4839/3.7=4...(21) HD2 LYS 65 + HE3 LYS 65 OK 71 93 - 76 - 3.0=59, 4839/3.7=4...(21) HD3 LYS 65 + HE2 LYS 65 OK 69 91 - 77 - 3.0=59, 4839/3.7=4...(21) HD3 LYS 65 + HE3 LYS 65 OK 69 91 - 77 - 3.0=59, 4839/3.7=4...(21) HD2 LYS 65 - HE2 LYS 115 OK 24 100 - 25 - 3.0/4868=1, 6758=1, 3.0/4831=1 HD2 LYS 65 - HE3 LYS 115 OK 24 100 - 25 - 3.0/4868=1, 6758=1, 3.0/4831=1 HD3 LYS 65 - HE2 LYS 115 OK 24 99 - 25 - 3.0/4868=1, 6757=1, 3.0/4831=1 HD3 LYS 65 - HE3 LYS 115 OK 24 99 - 25 - 3.0/4868=1, 6757=1, 3.0/4831=1 HD2 LYS 115 - HE3 LYS 65 OK 16 93 - 17 - 4839/3.7=2, 2.9/6774=2 HD2 LYS 115 - HE2 LYS 65 OK 16 93 - 17 - 4839/3.7=2, 2.9/6774=2 HD3 LYS 115 - HE2 LYS 65 OK 16 92 - 18 - 4839/3.7=2, 2.9/6774=2 HD3 LYS 115 - HE3 LYS 65 OK 16 92 - 18 - 4839/3.7=2, 2.9/6774=2 HG LEU 114 - HE3 LYS 17 OK 10 84 - 12 - 2.1/11218=3, ~11514=3...(5) HG LEU 114 - HE2 LYS 115 lone 4 99 - 4 - HG LEU 114 - HE3 LYS 115 lone 4 99 - 4 - HD3 LYS 115 - HE2 LYS 16 lone 3 100 - 3 - HD3 LYS 115 - HE3 LYS 16 lone 3 100 - 3 - HD2 LYS 115 - HE2 LYS 16 lone 3 100 - 3 - HD2 LYS 115 - HE3 LYS 16 lone 3 100 - 3 - HD2 LYS 65 - HE3 LYS 16 lone 3 100 - 3 - HD2 LYS 65 - HE2 LYS 16 lone 3 100 - 3 - HD3 LYS 65 - HE3 LYS 16 lone 3 99 - 3 - HD3 LYS 65 - HE2 LYS 16 lone 3 99 - 3 - HD2 LYS 65 - HE3 LYS 94 lone 2 90 - 2 - HD3 LYS 65 - HE3 LYS 94 lone 2 87 - 2 - HG LEU 90 - HE3 LYS 94 lone 2 57 - 3 - HB ILE 5 - HE3 LYS 17 lone 2 75 - 2 - HG LEU 64 - HE2 LYS 115 lone 1 81 - 1 - HG LEU 64 - HE3 LYS 115 lone 1 81 - 1 - HG LEU 114 - HE3 LYS 16 lone 1 99 - 1 - HG LEU 114 - HE2 LYS 16 lone 1 99 - 1 - HD2 LYS 115 - HE3 LYS 94 lone 1 90 - 1 - HD3 LYS 115 - HE3 LYS 94 lone 1 89 - 1 - HG LEU 114 - HE3 LYS 65 lone 1 91 - 1 - HG LEU 114 - HE2 LYS 65 lone 1 91 - 1 - HD2 LYS 115 - HE3 LYS 17 lone 1 87 - 1 - HD3 LYS 115 - HE3 LYS 17 lone 1 86 - 1 - HG LEU 64 - HE2 LYS 65 lone 1 70 - 1 - HG LEU 64 - HE3 LYS 65 lone 1 70 - 1 - HG LEU 114 - HE3 LYS 94 lone 1 87 - 1 - HG LEU 90 - HE2 LYS 65 lone 1 60 - 1 - HG LEU 90 - HE3 LYS 65 lone 1 60 - 1 - HD2 LYS 49 - HE3 LYS 115 lone 1 100 - 1 - HD2 LYS 49 - HE2 LYS 115 lone 1 100 - 1 - HD3 LYS 49 - HE3 LYS 115 lone 1 100 - 1 - HD3 LYS 49 - HE2 LYS 115 lone 1 100 - 1 - HD3 LYS 49 - HE2 LYS 65 lone 0 92 - 0 - HD2 LYS 49 - HE2 LYS 65 lone 0 92 - 0 - HD3 LYS 49 - HE3 LYS 65 lone 0 92 - 0 - HD2 LYS 49 - HE3 LYS 65 lone 0 92 - 0 - HD2 LYS 65 - HE3 LYS 17 lone 0 86 - 0 - HD3 LYS 65 - HE3 LYS 17 lone 0 84 - 0 - HG LEU 64 - HE3 LYS 17 lone 0 64 - 1 - HD2 LYS 49 - HE3 LYS 94 lone 0 89 - 0 - HD3 LYS 49 - HE3 LYS 94 lone 0 89 - 0 - HG LEU 64 - HE2 LYS 16 lone 0 80 - 0 - HG LEU 64 - HE3 LYS 16 lone 0 80 - 0 - HG LEU 64 - HE3 LYS 94 lone 0 67 - 0 - HG3 ARG 95 - HE3 LYS 16 lone 0 61 - 0 - HG3 ARG 95 - HE2 LYS 16 lone 0 61 - 0 - HB2 GLU 52 - HE2 LYS 65 lone 0 93 - 0 - HB2 GLU 52 - HE3 LYS 65 lone 0 93 - 0 - HB2 GLU 52 - HE3 LYS 115 lone 0 100 - 0 - HB2 GLU 52 - HE2 LYS 115 lone 0 100 - 0 - HB ILE 5 - HE2 LYS 115 lone 0 92 - 0 - HB ILE 5 - HE3 LYS 115 lone 0 92 - 0 - HB2 GLU 52 - HE3 LYS 94 lone 0 90 - 0 - HD2 LYS 49 - HE2 LYS 16 lone 0 100 - 0 - HD2 LYS 49 - HE3 LYS 16 lone 0 100 - 0 - HD3 LYS 49 - HE3 LYS 16 lone 0 100 - 0 - HD3 LYS 49 - HE2 LYS 16 lone 0 100 - 0 - HB2 ARG 30 - HE3 LYS 65 lone 0 93 - 0 - HB2 ARG 30 - HE2 LYS 65 lone 0 93 - 0 - HB2 ARG 30 - HE3 LYS 115 lone 0 100 - 0 - HB2 ARG 30 - HE2 LYS 115 lone 0 100 - 0 - HG LEU 90 - HE3 LYS 115 lone 0 70 - 0 - HG LEU 90 - HE2 LYS 115 lone 0 70 - 0 - HD2 LYS 49 - HE3 LYS 17 lone 0 86 - 0 - HD3 LYS 49 - HE3 LYS 17 lone 0 86 - 0 - HB ILE 5 - HE3 LYS 65 lone 0 82 - 0 - HB ILE 5 - HE2 LYS 65 lone 0 82 - 0 - HB2 GLU 52 - HE2 LYS 16 lone 0 100 - 0 - HB2 GLU 52 - HE3 LYS 16 lone 0 100 - 0 - HB2 ARG 30 - HE3 LYS 94 lone 0 90 - 0 - HB2 ARG 30 - HE3 LYS 16 lone 0 100 - 0 - HB2 ARG 30 - HE2 LYS 16 lone 0 100 - 0 - HG LEU 90 - HE3 LYS 16 lone 0 69 - 0 - HG LEU 90 - HE2 LYS 16 lone 0 69 - 0 - HB ILE 5 - HE2 LYS 16 lone 0 92 - 0 - HB ILE 5 - HE3 LYS 16 lone 0 92 - 0 - HB2 GLU 52 - HE3 LYS 17 lone 0 87 - 0 - HB2 ARG 30 - HE3 LYS 17 lone 0 86 - 0 - HB ILE 5 - HE3 LYS 94 lone 0 78 - 0 - HG3 ARG 95 - HE3 LYS 115 lone 0 61 - 0 - HG3 ARG 95 - HE2 LYS 115 lone 0 61 - 0 - HG3 ARG 95 - HE3 LYS 65 lone 0 52 - 0 - HG3 ARG 95 - HE2 LYS 65 lone 0 52 - 0 - HG3 ARG 95 - HE3 LYS 94 lone 0 50 - 0 - HG LEU 90 - HE3 LYS 17 lone 0 54 - 0 - HG3 ARG 95 - HE3 LYS 17 lone 0 47 - 0 - Peak 6786 from cnoeabs.peaks (1.66, 2.91, 41.78 ppm; 2.49 A): 8 out of 104 assignments used, quality = 1.00: HD3 LYS 115 + HE2 LYS 115 OK 74 100 - 74 - 3.0=60, 2.9/6784=4...(19) * HD3 LYS 115 + HE3 LYS 115 OK 74 100 - 74 - 3.0=60, 2.9/6784=4...(19) HD2 LYS 115 + HE3 LYS 115 OK 74 100 - 74 - 3.0=60, 2.9/6784=4...(19) HD2 LYS 115 + HE2 LYS 115 OK 74 100 - 74 - 3.0=60, 2.9/6784=4...(19) HD2 LYS 65 + HE3 LYS 65 OK 69 91 - 76 - 3.0=59, 4839/3.7=4...(21) HD2 LYS 65 + HE2 LYS 65 OK 69 91 - 76 - 3.0=59, 4839/3.7=4...(21) HD3 LYS 65 + HE3 LYS 65 OK 66 86 - 76 - 3.0=59, 4839/3.7=4...(21) HD3 LYS 65 + HE2 LYS 65 OK 66 86 - 76 - 3.0=59, 4839/3.7=4...(21) HD2 LYS 65 - HE2 LYS 115 OK 24 99 - 25 - 3.0/4878=1, 6767=1, 3.0/4831=1 HD2 LYS 65 - HE3 LYS 115 OK 24 99 - 25 - 3.0/4878=1, 6767=1, 3.0/4831=1 HD3 LYS 65 - HE3 LYS 115 OK 23 96 - 25 - 3.0/4868=1, 6757=1, 3.0/4831=1 HD3 LYS 65 - HE2 LYS 115 OK 23 96 - 25 - 3.0/4868=1, 6757=1, 3.0/4831=1 HD3 LYS 115 - HE3 LYS 65 OK 16 93 - 17 - 4839/3.7=2, 2.9/6774=2 HD3 LYS 115 - HE2 LYS 65 OK 16 93 - 17 - 4839/3.7=2, 2.9/6774=2 HD2 LYS 115 - HE3 LYS 65 OK 16 92 - 17 - 4839/3.7=2, 2.9/6774=2 HD2 LYS 115 - HE2 LYS 65 OK 16 92 - 17 - 4839/3.7=2, 2.9/6774=2 HG LEU 114 - HE3 LYS 17 poor 9 79 - 12 - 2.1/11218=3, ~11514=3...(5) HG LEU 114 - HE2 LYS 115 lone 3 96 - 4 - HG LEU 114 - HE3 LYS 115 lone 3 96 - 4 - HD3 LYS 115 - HE3 LYS 16 lone 3 100 - 3 - HD3 LYS 115 - HE2 LYS 16 lone 3 100 - 3 - HD2 LYS 115 - HE3 LYS 16 lone 3 100 - 3 - HD2 LYS 115 - HE2 LYS 16 lone 3 100 - 3 - HD2 LYS 65 - HE3 LYS 16 lone 3 99 - 3 - HD2 LYS 65 - HE2 LYS 16 lone 3 99 - 3 - HD3 LYS 65 - HE3 LYS 16 lone 3 95 - 3 - HD3 LYS 65 - HE2 LYS 16 lone 3 95 - 3 - HD2 LYS 65 - HE3 LYS 94 lone 2 87 - 2 - HD3 LYS 65 - HE3 LYS 94 lone 2 83 - 2 - HB ILE 5 - HE3 LYS 17 lone 1 67 - 2 - HD3 LYS 115 - HE3 LYS 94 lone 1 90 - 1 - HG LEU 114 - HE2 LYS 16 lone 1 95 - 1 - HG LEU 114 - HE3 LYS 16 lone 1 95 - 1 - HD2 LYS 115 - HE3 LYS 94 lone 1 89 - 1 - HG LEU 64 - HE2 LYS 115 lone 1 70 - 1 - HG LEU 64 - HE3 LYS 115 lone 1 70 - 1 - HG LEU 114 - HE3 LYS 65 lone 1 86 - 1 - HG LEU 114 - HE2 LYS 65 lone 1 86 - 1 - HD3 LYS 115 - HE3 LYS 17 lone 1 87 - 1 - HD2 LYS 115 - HE3 LYS 17 lone 1 86 - 1 - HG LEU 114 - HE3 LYS 94 lone 1 83 - 1 - HD2 LYS 49 - HE2 LYS 115 lone 1 98 - 1 - HD2 LYS 49 - HE3 LYS 115 lone 1 98 - 1 - HD3 LYS 49 - HE3 LYS 115 lone 1 98 - 1 - HD3 LYS 49 - HE2 LYS 115 lone 1 98 - 1 - HG LEU 64 - HE2 LYS 65 lone 0 60 - 1 - HG LEU 64 - HE3 LYS 65 lone 0 60 - 1 - HD3 LYS 49 - HE2 LYS 65 lone 0 89 - 0 - HD3 LYS 49 - HE3 LYS 65 lone 0 89 - 0 - HD2 LYS 49 - HE2 LYS 65 lone 0 89 - 0 - HD2 LYS 49 - HE3 LYS 65 lone 0 89 - 0 - HD2 LYS 65 - HE3 LYS 17 lone 0 84 - 0 - HD3 LYS 65 - HE3 LYS 17 lone 0 79 - 0 - HD2 LYS 49 - HE3 LYS 94 lone 0 86 - 0 - HD3 LYS 49 - HE3 LYS 94 lone 0 86 - 0 - HG3 ARG 95 - HE2 LYS 16 lone 0 73 - 0 - HG3 ARG 95 - HE3 LYS 16 lone 0 73 - 0 - HG LEU 64 - HE3 LYS 17 lone 0 54 - 1 - HD2 LYS 43 - HE3 LYS 16 lone 0 61 - 0 - HD2 LYS 43 - HE2 LYS 16 lone 0 61 - 0 - HG LEU 64 - HE2 LYS 16 lone 0 69 - 0 - HG LEU 64 - HE3 LYS 16 lone 0 69 - 0 - HD2 LYS 43 - HE3 LYS 94 lone 0 50 - 0 - HG LEU 64 - HE3 LYS 94 lone 0 57 - 0 - HB2 GLU 52 - HE3 LYS 115 lone 0 100 - 0 - HB2 GLU 52 - HE2 LYS 115 lone 0 100 - 0 - HB2 GLU 52 - HE3 LYS 65 lone 0 92 - 0 - HB2 GLU 52 - HE2 LYS 65 lone 0 92 - 0 - HB2 GLU 52 - HE3 LYS 94 lone 0 89 - 0 - HD2 LYS 49 - HE3 LYS 16 lone 0 98 - 0 - HD2 LYS 49 - HE2 LYS 16 lone 0 98 - 0 - HD3 LYS 49 - HE3 LYS 16 lone 0 98 - 0 - HD3 LYS 49 - HE2 LYS 16 lone 0 98 - 0 - HB2 ARG 30 - HE2 LYS 65 lone 0 91 - 0 - HB2 ARG 30 - HE3 LYS 65 lone 0 91 - 0 - HB2 ARG 30 - HE2 LYS 115 lone 0 99 - 0 - HB2 ARG 30 - HE3 LYS 115 lone 0 99 - 0 - HB2 GLU 52 - HE2 LYS 16 lone 0 100 - 0 - HB2 GLU 52 - HE3 LYS 16 lone 0 100 - 0 - HB ILE 5 - HE2 LYS 115 lone 0 84 - 0 - HB ILE 5 - HE3 LYS 115 lone 0 84 - 0 - HD2 LYS 49 - HE3 LYS 17 lone 0 83 - 0 - HD3 LYS 49 - HE3 LYS 17 lone 0 83 - 0 - HB2 ARG 30 - HE3 LYS 94 lone 0 87 - 0 - HB2 ARG 30 - HE2 LYS 16 lone 0 99 - 0 - HB2 ARG 30 - HE3 LYS 16 lone 0 99 - 0 - HG3 ARG 95 - HE3 LYS 115 lone 0 73 - 0 - HG3 ARG 95 - HE2 LYS 115 lone 0 73 - 0 - HG3 ARG 95 - HE3 LYS 94 lone 0 60 - 0 - HB ILE 5 - HE2 LYS 65 lone 0 73 - 0 - HB ILE 5 - HE3 LYS 65 lone 0 73 - 0 - HG3 ARG 95 - HE3 LYS 65 lone 0 63 - 0 - HG3 ARG 95 - HE2 LYS 65 lone 0 63 - 0 - HD2 LYS 43 - HE3 LYS 17 lone 0 47 - 0 - HB2 GLU 52 - HE3 LYS 17 lone 0 86 - 0 - HB2 ARG 30 - HE3 LYS 17 lone 0 84 - 0 - HB ILE 5 - HE3 LYS 16 lone 0 84 - 0 - HB ILE 5 - HE2 LYS 16 lone 0 84 - 0 - HD2 LYS 43 - HE3 LYS 65 lone 0 52 - 0 - HD2 LYS 43 - HE2 LYS 65 lone 0 52 - 0 - HB ILE 5 - HE3 LYS 94 lone 0 70 - 0 - HD2 LYS 43 - HE2 LYS 115 lone 0 61 - 0 - HD2 LYS 43 - HE3 LYS 115 lone 0 61 - 0 - HG3 ARG 95 - HE3 LYS 17 lone 0 57 - 0 - Peak 6787 from cnoeabs.peaks (2.91, 2.91, 41.78 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: HE3 LYS 115 + HE3 LYS 115 OK 100 100 - 100 HE2 LYS 115 + HE2 LYS 115 OK 100 100 - 100 HE2 LYS 16 + HE2 LYS 16 OK 100 100 - 100 HE3 LYS 16 + HE3 LYS 16 OK 100 100 - 100 HE3 LYS 65 + HE3 LYS 65 OK 88 88 - 100 HE2 LYS 65 + HE2 LYS 65 OK 88 88 - 100 HE3 LYS 94 + HE3 LYS 94 OK 83 83 - 100 HE3 LYS 17 + HE3 LYS 17 OK 77 77 - 100 Reference assignment not found: HE2 LYS 115 - HE3 LYS 115 Peak 6788 from cnoeabs.peaks (2.91, 2.91, 41.78 ppm; diagonal): 8 out of 8 assignments used, quality = 1.00: * HE3 LYS 115 + HE3 LYS 115 OK 100 100 - 100 HE2 LYS 115 + HE2 LYS 115 OK 100 100 - 100 HE2 LYS 16 + HE2 LYS 16 OK 100 100 - 100 HE3 LYS 16 + HE3 LYS 16 OK 100 100 - 100 HE3 LYS 65 + HE3 LYS 65 OK 88 88 - 100 HE2 LYS 65 + HE2 LYS 65 OK 88 88 - 100 HE3 LYS 94 + HE3 LYS 94 OK 83 83 - 100 HE3 LYS 17 + HE3 LYS 17 OK 77 77 - 100 Peak 6789 from cnoeabs.peaks (8.00, 3.46, 64.12 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 116 + HA ILE 116 OK 100 100 - 100 - 3.0=100 Peak 6790 from cnoeabs.peaks (3.46, 3.46, 64.12 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ILE 116 + HA ILE 116 OK 100 100 - 100 Peak 6791 from cnoeabs.peaks (1.63, 3.46, 64.12 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 116 + HA ILE 116 OK 100 100 - 100 - 3.0=100 Peak 6792 from cnoeabs.peaks (0.04, 3.46, 64.12 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 116 + HA ILE 116 OK 100 100 - 100 - 3.2=100 Peak 6793 from cnoeabs.peaks (1.58, 3.46, 64.12 ppm; 4.19 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 116 + HA ILE 116 OK 100 100 - 100 - 4.0=100 Peak 6794 from cnoeabs.peaks (0.97, 3.46, 64.12 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 116 + HA ILE 116 OK 100 100 - 100 - 4.0=100 Peak 6795 from cnoeabs.peaks (0.68, 3.46, 64.12 ppm; 4.29 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 116 + HA ILE 116 OK 100 100 - 100 - 4.1=100 Peak 6796 from cnoeabs.peaks (8.00, 1.63, 36.32 ppm; 3.82 A): 1 out of 3 assignments used, quality = 0.98: * H ILE 116 + HB ILE 116 OK 98 100 - 98 - 3.9=91, 1762/2.1=32...(14) H GLY 26 - HB ILE 116 lone 4 73 - 6 - 6817/2.9=1, 6810/2.9=1 H SER 72 - HB ILE 116 lone 2 61 - 3 - Peak 6797 from cnoeabs.peaks (3.46, 1.63, 36.32 ppm; 4.57 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 116 + HB ILE 116 OK 100 100 - 100 - 3.0=100 Peak 6798 from cnoeabs.peaks (1.63, 1.63, 36.32 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB ILE 116 + HB ILE 116 OK 100 100 - 100 Peak 6799 from cnoeabs.peaks (0.04, 1.63, 36.32 ppm; 3.79 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 116 + HB ILE 116 OK 100 100 - 100 - 2.1=100 Peak 6800 from cnoeabs.peaks (1.58, 1.63, 36.32 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 116 + HB ILE 116 OK 100 100 - 100 - 2.9=100 Peak 6801 from cnoeabs.peaks (0.97, 1.63, 36.32 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 116 + HB ILE 116 OK 100 100 - 100 - 2.9=100 Peak 6802 from cnoeabs.peaks (0.68, 1.63, 36.32 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 116 + HB ILE 116 OK 100 100 - 100 - 3.2=100 Peak 6803 from cnoeabs.peaks (8.00, 0.04, 18.11 ppm; 4.75 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 116 + QG2 ILE 116 OK 100 100 - 100 - 4.0=100 Peak 6804 from cnoeabs.peaks (3.46, 0.04, 18.11 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 116 + QG2 ILE 116 OK 100 100 - 100 - 3.2=100 Peak 6805 from cnoeabs.peaks (1.63, 0.04, 18.11 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 116 + QG2 ILE 116 OK 100 100 - 100 - 2.1=100 Peak 6806 from cnoeabs.peaks (0.04, 0.04, 18.11 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 116 + QG2 ILE 116 OK 100 100 - 100 Peak 6807 from cnoeabs.peaks (1.58, 0.04, 18.11 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 116 + QG2 ILE 116 OK 100 100 - 100 - 3.2=100 Peak 6808 from cnoeabs.peaks (0.97, 0.04, 18.11 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 116 + QG2 ILE 116 OK 100 100 - 100 - 3.2=100 Peak 6809 from cnoeabs.peaks (0.68, 0.04, 18.11 ppm; 3.35 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 116 + QG2 ILE 116 OK 100 100 - 100 - 3.0=100 Peak 6810 from cnoeabs.peaks (8.00, 1.58, 28.89 ppm; 3.93 A): 1 out of 3 assignments used, quality = 0.94: * H ILE 116 + HG12 ILE 116 OK 94 100 - 94 - 4.5=66, 1764/1.8=36...(9) H GLY 26 - HG12 ILE 116 lone 4 73 - 6 - 6817/1.8=2, 6824/2.1=2 H SER 72 - HG12 ILE 116 lone 2 61 - 3 - Peak 6811 from cnoeabs.peaks (3.46, 1.58, 28.89 ppm; 4.23 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 116 + HG12 ILE 116 OK 100 100 - 100 - 4.0=100 Peak 6812 from cnoeabs.peaks (1.63, 1.58, 28.89 ppm; 2.51 A): 1 out of 12 assignments used, quality = 0.71: * HB ILE 116 + HG12 ILE 116 OK 71 100 - 71 - 2.9=65, 3.9/1763=8...(5) HB3 LEU 64 - HG12 ILE 116 lone 3 100 - 3 - HB2 LEU 82 - HG12 ILE 116 lone 3 94 - 3 - HG LEU 64 - HG12 ILE 116 lone 3 87 - 3 - HB ILE 5 - HG12 ILE 116 lone 1 73 - 1 - HG LEU 63 - HG12 ILE 116 lone 1 92 - 1 - HG2 LYS 16 - HG12 ILE 116 lone 0 100 - 0 - HG LEU 90 - HG12 ILE 116 lone 0 94 - 0 - HD2 LYS 77 - HG12 ILE 116 lone 0 98 - 0 - HD3 LYS 77 - HG12 ILE 116 lone 0 97 - 0 - HG3 LYS 40 - HG12 ILE 116 lone 0 92 - 0 - HB3 LEU 127 - HG12 ILE 116 lone 0 70 - 0 - Peak 6813 from cnoeabs.peaks (0.04, 1.58, 28.89 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 116 + HG12 ILE 116 OK 100 100 - 100 - 3.2=100 Peak 6814 from cnoeabs.peaks (1.58, 1.58, 28.89 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 116 + HG12 ILE 116 OK 100 100 - 100 Peak 6815 from cnoeabs.peaks (0.97, 1.58, 28.89 ppm; 3.18 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 116 + HG12 ILE 116 OK 100 100 - 100 - 1.8=100 Peak 6816 from cnoeabs.peaks (0.68, 1.58, 28.89 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 116 + HG12 ILE 116 OK 100 100 - 100 - 2.1=100 Peak 6817 from cnoeabs.peaks (8.00, 0.97, 28.89 ppm; 4.10 A): 1 out of 6 assignments used, quality = 0.97: * H ILE 116 + HG13 ILE 116 OK 97 100 - 97 - 4.5=75, 1763/1.8=39...(11) H GLY 26 - HG13 ILE 116 lone 5 73 - 7 - 6810/1.8=2, 6824/2.1=2 H SER 72 - HG13 ILE 116 lone 2 61 - 3 - H ILE 116 - HD3 LYS 2 lone 1 78 - 1 - H SER 72 - HD3 LYS 2 lone 0 41 - 1 - H GLY 26 - HD3 LYS 2 lone 0 50 - 1 - Peak 6818 from cnoeabs.peaks (3.46, 0.97, 28.89 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * HA ILE 116 + HG13 ILE 116 OK 100 100 - 100 - 4.0=100 Peak 6819 from cnoeabs.peaks (1.63, 0.97, 28.89 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 116 + HG13 ILE 116 OK 100 100 - 100 - 2.9=100 Peak 6820 from cnoeabs.peaks (0.04, 0.97, 28.89 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 116 + HG13 ILE 116 OK 100 100 - 100 - 3.2=100 Peak 6821 from cnoeabs.peaks (1.58, 0.97, 28.89 ppm; 3.17 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 116 + HG13 ILE 116 OK 100 100 - 100 - 1.8=100 Peak 6822 from cnoeabs.peaks (0.97, 0.97, 28.89 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG13 ILE 116 + HG13 ILE 116 OK 100 100 - 100 HD3 LYS 2 + HD3 LYS 2 OK 67 67 - 100 Peak 6823 from cnoeabs.peaks (0.68, 0.97, 28.89 ppm; 3.41 A): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 116 + HG13 ILE 116 OK 100 100 - 100 - 2.1=100 Peak 6824 from cnoeabs.peaks (8.00, 0.68, 13.41 ppm; 4.30 A): 1 out of 3 assignments used, quality = 0.99: * H ILE 116 + QD1 ILE 116 OK 99 100 - 99 - 4.7=77, 1763/2.1=39...(18) H GLY 26 - QD1 ILE 116 lone 6 73 - 7 - 6817/2.1=2, 6810/2.1=2 H SER 72 - QD1 ILE 116 lone 2 61 - 4 - Peak 6825 from cnoeabs.peaks (3.46, 0.68, 13.41 ppm; 4.06 A): 1 out of 1 assignment used, quality = 0.99: * HA ILE 116 + QD1 ILE 116 OK 99 100 - 99 - 4.1=95, 3.0/6824=26...(15) Peak 6826 from cnoeabs.peaks (1.63, 0.68, 13.41 ppm; 3.29 A): 1 out of 1 assignment used, quality = 1.00: * HB ILE 116 + QD1 ILE 116 OK 100 100 - 100 - 3.2=100 Peak 6827 from cnoeabs.peaks (0.04, 0.68, 13.41 ppm; 3.23 A): 1 out of 1 assignment used, quality = 1.00: * QG2 ILE 116 + QD1 ILE 116 OK 100 100 - 100 - 3.0=100 Peak 6828 from cnoeabs.peaks (1.58, 0.68, 13.41 ppm; 3.28 A): 1 out of 1 assignment used, quality = 1.00: * HG12 ILE 116 + QD1 ILE 116 OK 100 100 - 100 - 2.1=100 Peak 6829 from cnoeabs.peaks (0.97, 0.68, 13.41 ppm; 3.37 A): 1 out of 1 assignment used, quality = 1.00: * HG13 ILE 116 + QD1 ILE 116 OK 100 100 - 100 - 2.1=100 Peak 6830 from cnoeabs.peaks (0.68, 0.68, 13.41 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 ILE 116 + QD1 ILE 116 OK 100 100 - 100 Peak 6831 from cnoeabs.peaks (8.12, 3.26, 67.50 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 117 + HA VAL 117 OK 100 100 - 100 - 3.0=100 Peak 6832 from cnoeabs.peaks (3.26, 3.26, 67.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA VAL 117 + HA VAL 117 OK 100 100 - 100 Peak 6833 from cnoeabs.peaks (2.05, 3.26, 67.50 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 117 + HA VAL 117 OK 100 100 - 100 - 3.0=100 Peak 6834 from cnoeabs.peaks (0.86, 3.26, 67.50 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 117 + HA VAL 117 OK 100 100 - 100 - 3.2=100 Peak 6835 from cnoeabs.peaks (0.72, 3.26, 67.50 ppm; 3.44 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 117 + HA VAL 117 OK 100 100 - 100 - 3.2=100 Peak 6836 from cnoeabs.peaks (8.12, 2.05, 30.75 ppm; 3.50 A): 2 out of 6 assignments used, quality = 0.93: * H VAL 117 + HB VAL 117 OK 83 100 - 83 - 4.0=69, 6841/2.1=21...(5) H ALA 113 + HB VAL 117 OK 62 100 - 62 - 1768=18, 6841/2.1=17...(11) H PHE 93 - HB VAL 117 lone 1 65 - 1 - H ALA 113 - HB2 GLN 28 lone 0 26 - 1 - H VAL 117 - HB2 GLN 28 lone 0 26 - 1 - H PHE 93 - HB2 GLN 28 lone 0 13 - 1 - Peak 6837 from cnoeabs.peaks (3.26, 2.05, 30.75 ppm; 4.43 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 117 + HB VAL 117 OK 100 100 - 100 - 3.0=100 Peak 6838 from cnoeabs.peaks (2.05, 2.05, 30.75 ppm; diagonal): 1 out of 2 assignments used, quality = 1.00: * HB VAL 117 + HB VAL 117 OK 100 100 - 100 HB2 GLN 28 - HB2 GLN 28 OK 16 16 - 100 Peak 6839 from cnoeabs.peaks (0.86, 2.05, 30.75 ppm; 3.36 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 117 + HB VAL 117 OK 100 100 - 100 - 2.1=100 Peak 6840 from cnoeabs.peaks (0.72, 2.05, 30.75 ppm; 3.21 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 117 + HB VAL 117 OK 100 100 - 100 - 2.1=100 Peak 6841 from cnoeabs.peaks (8.12, 0.86, 23.99 ppm; 3.12 A): 2 out of 3 assignments used, quality = 0.87: * H VAL 117 + QG2 VAL 117 OK 71 100 - 71 - 4.0=47, 1768/2.1=16...(8) H ALA 113 + QG2 VAL 117 OK 56 100 - 57 - 1768/2.1=12, 1769=11...(12) H PHE 93 - QG2 VAL 117 lone 1 65 - 1 - Peak 6842 from cnoeabs.peaks (3.26, 0.86, 23.99 ppm; 3.27 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 117 + QG2 VAL 117 OK 100 100 - 100 - 3.2=100 Peak 6843 from cnoeabs.peaks (2.05, 0.86, 23.99 ppm; 3.20 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 117 + QG2 VAL 117 OK 100 100 - 100 - 2.1=100 Peak 6844 from cnoeabs.peaks (0.86, 0.86, 23.99 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 117 + QG2 VAL 117 OK 100 100 - 100 Peak 6845 from cnoeabs.peaks (0.72, 0.86, 23.99 ppm; 2.48 A): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 117 + QG2 VAL 117 OK 100 100 - 100 - 2.1=100 Peak 6846 from cnoeabs.peaks (8.12, 0.72, 21.31 ppm; 3.81 A): 2 out of 3 assignments used, quality = 0.98: * H VAL 117 + QG1 VAL 117 OK 94 100 - 94 - 4.0=86, 6841/2.1=24...(9) H ALA 113 + QG1 VAL 117 OK 68 100 - 68 - 6841/2.1=19, 6836/2.1=16...(12) H PHE 93 - QG1 VAL 117 lone 1 65 - 1 - Peak 6847 from cnoeabs.peaks (3.26, 0.72, 21.31 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * HA VAL 117 + QG1 VAL 117 OK 100 100 - 100 - 3.2=100 Peak 6848 from cnoeabs.peaks (2.05, 0.72, 21.31 ppm; 3.10 A): 1 out of 1 assignment used, quality = 1.00: * HB VAL 117 + QG1 VAL 117 OK 100 100 - 100 - 2.1=100 Peak 6849 from cnoeabs.peaks (0.86, 0.72, 21.31 ppm; 2.60 A): 1 out of 1 assignment used, quality = 1.00: * QG2 VAL 117 + QG1 VAL 117 OK 100 100 - 100 - 2.1=100 Peak 6850 from cnoeabs.peaks (0.72, 0.72, 21.31 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QG1 VAL 117 + QG1 VAL 117 OK 100 100 - 100 Peak 6851 from cnoeabs.peaks (8.03, 3.89, 60.17 ppm; 3.96 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 118 + HA ARG 118 OK 100 100 - 100 - 2.9=100 Peak 6852 from cnoeabs.peaks (3.89, 3.89, 60.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ARG 118 + HA ARG 118 OK 100 100 - 100 Peak 6853 from cnoeabs.peaks (1.80, 3.89, 60.17 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 118 + HA ARG 118 OK 100 100 - 100 - 3.0=100 Peak 6854 from cnoeabs.peaks (1.87, 3.89, 60.17 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 118 + HA ARG 118 OK 100 100 - 100 - 3.0=100 Peak 6855 from cnoeabs.peaks (1.73, 3.89, 60.17 ppm; 3.79 A): 1 out of 10 assignments used, quality = 0.96: * HG2 ARG 118 + HA ARG 118 OK 96 100 - 96 - 3.9=89, 1.8/6856=30...(11) HB2 LEU 114 - HA ARG 118 OK 17 98 - 17 - ~2212=5, ~8259=4...(5) HB2 LEU 68 - HA ARG 118 lone 3 65 - 5 - HB3 LEU 90 - HA ARG 118 lone 3 97 - 3 - 751/3.6=1 HG12 ILE 15 - HA ARG 118 lone 2 100 - 2 - HB3 LYS 94 - HA ARG 118 lone 2 98 - 2 - HB3 LEU 82 - HA ARG 118 lone 2 97 - 2 - HD3 LYS 123 - HA ARG 118 lone 1 61 - 2 - 1.8/11516=1 HB2 LYS 106 - HA ARG 118 lone 1 84 - 2 - HB3 LYS 106 - HA ARG 118 lone 1 77 - 2 - Peak 6856 from cnoeabs.peaks (1.48, 3.89, 60.17 ppm; 3.92 A): 1 out of 8 assignments used, quality = 1.00: * HG3 ARG 118 + HA ARG 118 OK 100 100 - 100 - 3.9=99, 1.8/6855=29...(12) HB3 LEU 14 - HA ARG 118 lone 6 77 - 7 - 1.8/11516=3, 3.1/10542=2 HG3 LYS 20 - HA ARG 118 lone 5 97 - 5 - 1776/2.9=1, 7402/5.8=1 HB3 LEU 45 - HA ARG 118 lone 3 100 - 3 - HD2 LYS 53 - HA ARG 118 lone 2 100 - 2 - HG3 LYS 73 - HA ARG 118 lone 2 99 - 2 - HB2 LEU 74 - HA ARG 118 lone 1 70 - 1 - HG2 ARG 30 - HA ARG 118 lone 1 81 - 1 - Peak 6857 from cnoeabs.peaks (3.15, 3.89, 60.17 ppm; 6.16 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 118 + HA ARG 118 OK 100 100 - 100 - 5.0=100 Peak 6858 from cnoeabs.peaks (2.97, 3.89, 60.17 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 118 + HA ARG 118 OK 100 100 - 100 - 5.0=100 Peak 6859 from cnoeabs.peaks (8.03, 1.80, 29.70 ppm; 4.78 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 118 + HB2 ARG 118 OK 100 100 - 100 - 4.1=100 Peak 6860 from cnoeabs.peaks (3.89, 1.80, 29.70 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 118 + HB2 ARG 118 OK 100 100 - 100 - 3.0=100 Peak 6861 from cnoeabs.peaks (1.80, 1.80, 29.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 118 + HB2 ARG 118 OK 100 100 - 100 Peak 6862 from cnoeabs.peaks (1.87, 1.80, 29.70 ppm; 3.11 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 118 + HB2 ARG 118 OK 100 100 - 100 - 1.8=100 Peak 6863 from cnoeabs.peaks (1.73, 1.80, 29.70 ppm; 3.19 A): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 118 + HB2 ARG 118 OK 100 100 - 100 - 3.0=100 Peak 6864 from cnoeabs.peaks (1.48, 1.80, 29.70 ppm; 4.54 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 118 + HB2 ARG 118 OK 100 100 - 100 - 3.0=100 Peak 6865 from cnoeabs.peaks (3.15, 1.80, 29.70 ppm; 5.47 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 118 + HB2 ARG 118 OK 100 100 - 100 - 3.7=100 Peak 6866 from cnoeabs.peaks (2.97, 1.80, 29.70 ppm; 5.62 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 118 + HB2 ARG 118 OK 100 100 - 100 - 3.7=100 Peak 6867 from cnoeabs.peaks (8.03, 1.87, 29.70 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 118 + HB3 ARG 118 OK 100 100 - 100 - 4.1=100 Peak 6868 from cnoeabs.peaks (3.89, 1.87, 29.70 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 118 + HB3 ARG 118 OK 100 100 - 100 - 3.0=100 Peak 6869 from cnoeabs.peaks (1.80, 1.87, 29.70 ppm; 2.95 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 118 + HB3 ARG 118 OK 100 100 - 100 - 1.8=100 Peak 6870 from cnoeabs.peaks (1.87, 1.87, 29.70 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 118 + HB3 ARG 118 OK 100 100 - 100 Peak 6871 from cnoeabs.peaks (1.73, 1.87, 29.70 ppm; 3.25 A): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 118 + HB3 ARG 118 OK 100 100 - 100 - 3.0=100 Peak 6872 from cnoeabs.peaks (1.48, 1.87, 29.70 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 118 + HB3 ARG 118 OK 100 100 - 100 - 3.0=100 Peak 6873 from cnoeabs.peaks (3.15, 1.87, 29.70 ppm; 4.74 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 118 + HB3 ARG 118 OK 100 100 - 100 - 3.7=100 Peak 6874 from cnoeabs.peaks (2.97, 1.87, 29.70 ppm; 5.38 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 118 + HB3 ARG 118 OK 100 100 - 100 - 3.7=100 Peak 6875 from cnoeabs.peaks (8.03, 1.73, 28.01 ppm; 4.31 A): 2 out of 7 assignments used, quality = 0.99: * H ARG 118 + HG2 ARG 118 OK 98 100 - 98 - 4.5=91, 1776/1.8=27...(12) H LYS 65 + HG2 ARG 118 OK 51 87 - 59 - 1776/1.8=9, 3.0/11024=9...(14) H SER 72 - HG2 ARG 118 lone 3 100 - 3 - H GLY 26 - HG2 ARG 118 lone 3 98 - 3 - H ASP 109 - HG2 ARG 118 lone 2 92 - 2 - H THR 9 - HG2 ARG 118 lone 2 65 - 3 - 3.9/9116=1 H VAL 22 - HG2 ARG 118 lone 2 90 - 2 - Peak 6876 from cnoeabs.peaks (3.89, 1.73, 28.01 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 118 + HG2 ARG 118 OK 100 100 - 100 - 3.9=100 Peak 6877 from cnoeabs.peaks (1.80, 1.73, 28.01 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 118 + HG2 ARG 118 OK 100 100 - 100 - 3.0=100 Peak 6878 from cnoeabs.peaks (1.87, 1.73, 28.01 ppm; 3.48 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 118 + HG2 ARG 118 OK 100 100 - 100 - 3.0=100 Peak 6879 from cnoeabs.peaks (1.73, 1.73, 28.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 118 + HG2 ARG 118 OK 100 100 - 100 Peak 6880 from cnoeabs.peaks (1.48, 1.73, 28.01 ppm; 3.14 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 118 + HG2 ARG 118 OK 100 100 - 100 - 1.8=100 Peak 6881 from cnoeabs.peaks (3.15, 1.73, 28.01 ppm; 4.42 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 118 + HG2 ARG 118 OK 100 100 - 100 - 3.0=100 Peak 6882 from cnoeabs.peaks (2.97, 1.73, 28.01 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 118 + HG2 ARG 118 OK 100 100 - 100 - 3.0=100 Peak 6883 from cnoeabs.peaks (8.03, 1.48, 28.01 ppm; 4.74 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 118 + HG3 ARG 118 OK 100 100 - 100 - 4.5=100 Peak 6884 from cnoeabs.peaks (3.89, 1.48, 28.01 ppm; 4.42 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 118 + HG3 ARG 118 OK 100 100 - 100 - 3.9=100 Peak 6885 from cnoeabs.peaks (1.80, 1.48, 28.01 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 118 + HG3 ARG 118 OK 100 100 - 100 - 3.0=100 Peak 6886 from cnoeabs.peaks (1.87, 1.48, 28.01 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 118 + HG3 ARG 118 OK 100 100 - 100 - 3.0=100 Peak 6887 from cnoeabs.peaks (1.73, 1.48, 28.01 ppm; 3.41 A): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 118 + HG3 ARG 118 OK 100 100 - 100 - 1.8=100 Peak 6888 from cnoeabs.peaks (1.48, 1.48, 28.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 118 + HG3 ARG 118 OK 100 100 - 100 Peak 6889 from cnoeabs.peaks (3.15, 1.48, 28.01 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 118 + HG3 ARG 118 OK 100 100 - 100 - 3.0=100 Peak 6890 from cnoeabs.peaks (2.97, 1.48, 28.01 ppm; 4.57 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 118 + HG3 ARG 118 OK 100 100 - 100 - 3.0=100 Peak 6891 from cnoeabs.peaks (8.03, 3.15, 43.76 ppm; 5.12 A): 2 out of 7 assignments used, quality = 0.97: * H ARG 118 + HD2 ARG 118 OK 94 100 - 94 - 6.1=59, 1776/3.0=27...(10) H LYS 65 + HD2 ARG 118 OK 56 87 - 65 - 3.0/10539=16...(11) H SER 72 - HD2 ARG 118 lone 4 100 - 4 - H GLY 26 - HD2 ARG 118 lone 3 98 - 3 - H ASP 109 - HD2 ARG 118 lone 3 92 - 3 - 6899/1.8=1 H VAL 22 - HD2 ARG 118 lone 2 90 - 3 - 6899/1.8=1 H THR 9 - HD2 ARG 118 lone 2 65 - 2 - Peak 6892 from cnoeabs.peaks (3.89, 3.15, 43.76 ppm; 5.41 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 118 + HD2 ARG 118 OK 100 100 - 100 - 5.0=100 Peak 6893 from cnoeabs.peaks (1.80, 3.15, 43.76 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 118 + HD2 ARG 118 OK 100 100 - 100 - 3.7=100 Peak 6894 from cnoeabs.peaks (1.87, 3.15, 43.76 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 118 + HD2 ARG 118 OK 100 100 - 100 - 3.7=100 Peak 6895 from cnoeabs.peaks (1.73, 3.15, 43.76 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 118 + HD2 ARG 118 OK 100 100 - 100 - 3.0=100 Peak 6896 from cnoeabs.peaks (1.48, 3.15, 43.76 ppm; 3.93 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 118 + HD2 ARG 118 OK 100 100 - 100 - 3.0=100 Peak 6897 from cnoeabs.peaks (3.15, 3.15, 43.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 118 + HD2 ARG 118 OK 100 100 - 100 Peak 6898 from cnoeabs.peaks (2.97, 3.15, 43.76 ppm; 3.01 A): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 118 + HD2 ARG 118 OK 100 100 - 100 - 1.8=100 Peak 6899 from cnoeabs.peaks (8.03, 2.97, 43.76 ppm; 5.02 A): 2 out of 7 assignments used, quality = 0.97: * H ARG 118 + HD3 ARG 118 OK 93 100 - 93 - 6.1=56, 1776/3.0=26...(10) H LYS 65 + HD3 ARG 118 OK 58 87 - 67 - 3.0/10540=14...(14) H ASP 109 - HD3 ARG 118 lone 4 92 - 5 - 4.4/10329=3 H VAL 22 - HD3 ARG 118 lone 4 90 - 5 - 3.6/11324=3 H GLY 26 - HD3 ARG 118 lone 4 98 - 4 - H SER 72 - HD3 ARG 118 lone 3 100 - 3 - H THR 9 - HD3 ARG 118 lone 2 65 - 2 - Peak 6900 from cnoeabs.peaks (3.89, 2.97, 43.76 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * HA ARG 118 + HD3 ARG 118 OK 100 100 - 100 - 5.0=100 Peak 6901 from cnoeabs.peaks (1.80, 2.97, 43.76 ppm; 4.15 A): 1 out of 1 assignment used, quality = 1.00: * HB2 ARG 118 + HD3 ARG 118 OK 100 100 - 100 - 3.7=100 Peak 6902 from cnoeabs.peaks (1.87, 2.97, 43.76 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * HB3 ARG 118 + HD3 ARG 118 OK 100 100 - 100 - 3.7=100 Peak 6903 from cnoeabs.peaks (1.73, 2.97, 43.76 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HG2 ARG 118 + HD3 ARG 118 OK 100 100 - 100 - 3.0=100 Peak 6904 from cnoeabs.peaks (1.48, 2.97, 43.76 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * HG3 ARG 118 + HD3 ARG 118 OK 100 100 - 100 - 3.0=100 Peak 6905 from cnoeabs.peaks (3.15, 2.97, 43.76 ppm; 3.10 A): 1 out of 1 assignment used, quality = 1.00: * HD2 ARG 118 + HD3 ARG 118 OK 100 100 - 100 - 1.8=100 Peak 6906 from cnoeabs.peaks (2.97, 2.97, 43.76 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 ARG 118 + HD3 ARG 118 OK 100 100 - 100 Peak 6907 from cnoeabs.peaks (7.92, 4.03, 59.53 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 119 + HA GLU 119 OK 100 100 - 100 - 3.0=100 Peak 6908 from cnoeabs.peaks (4.03, 4.03, 59.53 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HA GLU 119 + HA GLU 119 OK 100 100 - 100 HA LYS 40 + HA LYS 40 OK 93 93 - 100 HA LYS 123 + HA LYS 123 OK 60 60 - 100 HA GLU 92 + HA GLU 92 OK 56 56 - 100 Peak 6909 from cnoeabs.peaks (2.12, 4.03, 59.53 ppm; 2.80 A): 3 out of 56 assignments used, quality = 1.00: * HB2 GLU 119 + HA GLU 119 OK 93 100 - 93 - 3.0=82, 1781/3.0=10...(21) HB3 GLU 119 + HA GLU 119 OK 92 100 - 93 - 3.0=82, 1781/3.0=10...(21) HB3 GLU 92 + HA GLU 92 OK 45 49 - 93 - 3.0=82, 1.8/5854=14...(29) HB2 GLU 91 - HA GLU 92 OK 17 52 - 32 - 575/3.0=8, ~7765=5...(11) HB2 LEU 38 - HA LYS 40 OK 11 95 - 11 - ~8048=3, ~9392=3, ~222=2 HG2 GLU 41 - HA LYS 40 poor 10 66 - 15 - 1263/3.6=8, 1.8/6912=4...(4) HB2 GLU 119 - HA GLU 92 poor 8 59 - 14 - 575/3.0=2, 3.0/6932=2...(5) HB3 GLU 119 - HA GLU 92 poor 8 58 - 14 - 575/3.0=2, 3.0/6932=2...(6) HB3 GLU 92 - HA GLU 119 lone 5 92 - 5 - HB VAL 107 - HA GLU 92 lone 3 58 - 5 - 582/3.6=3, ~10296=1 HB VAL 107 - HA GLU 119 lone 2 100 - 2 - 757/3.6=1 HB2 GLU 91 - HA GLU 119 lone 2 96 - 2 - HB2 GLU 119 - HA LYS 40 lone 1 96 - 1 - HB3 GLU 119 - HA LYS 40 lone 1 95 - 1 - HB2 LEU 38 - HA LYS 123 lone 1 59 - 2 - HB2 LEU 38 - HA GLU 119 lone 1 100 - 1 - HG2 GLU 41 - HA GLU 119 lone 1 73 - 1 - HB VAL 107 - HA LYS 123 lone 1 60 - 2 - HB2 GLU 119 - HA LYS 123 lone 1 60 - 2 - HB3 GLU 119 - HA LYS 123 lone 1 59 - 2 - HB2 GLU 111 - HA GLU 92 lone 1 31 - 3 - HB2 LEU 38 - HA GLU 92 lone 1 58 - 2 - HB2 GLU 21 - HA GLU 119 lone 1 100 - 1 - HB2 GLU 91 - HA LYS 40 lone 1 89 - 1 - HG3 GLN 83 - HA GLU 119 lone 1 100 - 1 - HB3 GLU 47 - HA GLU 92 lone 1 53 - 1 - HB VAL 107 - HA LYS 40 lone 0 96 - 1 - HG2 GLU 21 - HA GLU 119 lone 0 90 - 1 - HG3 GLU 21 - HA GLU 119 lone 0 84 - 1 - HB2 GLU 21 - HA LYS 40 lone 0 96 - 0 - HB3 GLU 92 - HA LYS 123 lone 0 50 - 1 - HG3 GLN 83 - HA GLU 92 lone 0 59 - 1 - HB2 GLU 111 - HA GLU 119 lone 0 65 - 1 - HB3 GLU 47 - HA GLU 119 lone 0 97 - 0 - HG3 GLN 83 - HA LYS 40 lone 0 96 - 0 - HG2 GLU 21 - HA LYS 123 lone 0 48 - 1 - HB3 GLU 92 - HA LYS 40 lone 0 85 - 0 - HB2 GLU 91 - HA LYS 123 lone 0 53 - 1 - HG3 GLU 21 - HA LYS 123 lone 0 44 - 1 - HB2 GLU 21 - HA GLU 92 lone 0 58 - 0 - HG2 GLU 21 - HA LYS 40 lone 0 82 - 0 - HG3 GLU 21 - HA LYS 40 lone 0 77 - 0 - HB2 GLU 21 - HA LYS 123 lone 0 60 - 0 - HG2 GLU 52 - HA GLU 119 lone 0 70 - 0 - HB3 GLU 47 - HA LYS 123 lone 0 55 - 0 - HB3 GLU 47 - HA LYS 40 lone 0 91 - 0 - HG2 GLU 21 - HA GLU 92 lone 0 47 - 0 - HG3 GLN 83 - HA LYS 123 lone 0 60 - 0 - HG3 GLU 21 - HA GLU 92 lone 0 43 - 0 - HG2 GLU 52 - HA LYS 40 lone 0 63 - 0 - HB2 GLU 111 - HA LYS 40 lone 0 59 - 0 - HG2 GLU 52 - HA GLU 92 lone 0 34 - 0 - HG2 GLU 41 - HA LYS 123 lone 0 37 - 0 - HG2 GLU 41 - HA GLU 92 lone 0 36 - 0 - HB2 GLU 111 - HA LYS 123 lone 0 32 - 0 - HG2 GLU 52 - HA LYS 123 lone 0 35 - 0 - Peak 6910 from cnoeabs.peaks (2.11, 4.03, 59.53 ppm; 2.80 A): 3 out of 56 assignments used, quality = 1.00: * HB3 GLU 119 + HA GLU 119 OK 93 100 - 93 - 3.0=82, 1782/3.0=10...(21) HB2 GLU 119 + HA GLU 119 OK 92 100 - 93 - 3.0=82, 1781/3.0=10...(21) HB3 GLU 92 + HA GLU 92 OK 50 53 - 94 - 3.0=82, 1.8/5854=14...(29) HB2 GLU 91 - HA GLU 92 OK 15 47 - 32 - 575/3.0=7, ~7765=5...(11) HB2 LEU 38 - HA LYS 40 OK 10 96 - 11 - ~8048=3, ~9392=3, ~222=2 HB3 GLU 119 - HA GLU 92 poor 8 59 - 14 - 1606/3.0=2, 3.0/6932=2...(6) HB2 GLU 119 - HA GLU 92 poor 8 58 - 14 - 575/3.0=2, 3.0/6932=2...(5) HG2 GLU 41 - HA LYS 40 poor 7 55 - 14 - 1263/3.6=6, 1.8/6912=4...(4) HB3 GLU 92 - HA GLU 119 lone 5 97 - 6 - HB VAL 107 - HA GLU 92 lone 3 58 - 5 - 582/3.6=3, ~10296=1 HB VAL 107 - HA GLU 119 lone 2 100 - 2 - 757/3.6=1 HB2 GLU 91 - HA GLU 119 lone 2 90 - 2 - HB2 GLU 119 - HA LYS 40 lone 1 95 - 1 - HB3 GLU 119 - HA LYS 40 lone 1 96 - 1 - HB2 LEU 38 - HA LYS 123 lone 1 60 - 2 - HB2 GLU 111 - HA GLU 92 lone 1 38 - 3 - HB2 LEU 38 - HA GLU 119 lone 1 100 - 1 - HB3 GLU 119 - HA LYS 123 lone 1 60 - 2 - HB VAL 107 - HA LYS 123 lone 1 60 - 2 - HB2 GLU 119 - HA LYS 123 lone 1 59 - 2 - HB2 LEU 38 - HA GLU 92 lone 1 59 - 2 - HB2 GLU 21 - HA GLU 119 lone 1 100 - 1 - HG2 GLU 41 - HA GLU 119 lone 1 61 - 1 - HB3 GLU 47 - HA GLU 92 lone 1 57 - 1 - HG3 GLN 83 - HA GLU 119 lone 1 100 - 1 - HB2 GLU 91 - HA LYS 40 lone 1 82 - 1 - HG2 GLU 21 - HA GLU 119 lone 1 96 - 1 - HG3 GLU 21 - HA GLU 119 lone 1 92 - 1 - HB3 GLU 92 - HA LYS 123 lone 0 55 - 1 - HB VAL 107 - HA LYS 40 lone 0 96 - 0 - HB2 GLU 111 - HA GLU 119 lone 0 77 - 1 - HG2 GLU 21 - HA LYS 123 lone 0 53 - 1 - HB2 GLU 21 - HA LYS 40 lone 0 96 - 0 - HB3 GLU 47 - HA GLU 119 lone 0 99 - 0 - HG3 GLN 83 - HA GLU 92 lone 0 58 - 1 - HB3 GLU 92 - HA LYS 40 lone 0 91 - 0 - HG3 GLU 21 - HA LYS 123 lone 0 50 - 1 - HG3 GLN 83 - HA LYS 40 lone 0 95 - 0 - HB2 GLU 91 - HA LYS 123 lone 0 48 - 1 - HB2 GLU 21 - HA GLU 92 lone 0 58 - 1 - HG2 GLU 21 - HA LYS 40 lone 0 89 - 0 - HG3 GLU 21 - HA LYS 40 lone 0 85 - 0 - HG2 GLU 52 - HA GLU 119 lone 0 81 - 0 - HB3 GLU 47 - HA LYS 123 lone 0 58 - 0 - HG2 GLU 21 - HA GLU 92 lone 0 52 - 0 - HB3 GLU 47 - HA LYS 40 lone 0 94 - 0 - HB2 GLU 21 - HA LYS 123 lone 0 60 - 0 - HG3 GLU 21 - HA GLU 92 lone 0 49 - 0 - HG3 GLN 83 - HA LYS 123 lone 0 59 - 0 - HG2 GLU 52 - HA LYS 40 lone 0 73 - 0 - HB2 GLU 111 - HA LYS 40 lone 0 70 - 0 - HG2 GLU 52 - HA GLU 92 lone 0 40 - 0 - HB2 GLU 111 - HA LYS 123 lone 0 39 - 0 - HG2 GLU 52 - HA LYS 123 lone 0 42 - 0 - HG2 GLU 41 - HA LYS 123 lone 0 30 - 0 - HG2 GLU 41 - HA GLU 92 lone 0 29 - 0 - Peak 6911 from cnoeabs.peaks (2.08, 4.03, 59.53 ppm; 2.81 A): 2 out of 52 assignments used, quality = 0.78: * HG2 GLU 119 + HA GLU 119 OK 73 100 - 73 - 4.1=32, 1.8/6932=14...(14) HB3 GLU 91 + HA GLU 92 OK 18 53 - 33 - 7765/3.0=10, ~7764=4...(11) HB3 MET 121 - HA GLU 119 lone 9 100 - 9 - 1783/3.0=4, 759/3.6=3 HB2 GLU 13 - HA GLU 92 poor 7 45 - 17 - 3.0/2625=4, 2613=3...(4) HG2 GLU 119 - HA GLU 92 poor 6 59 - 11 - 1.8/6932=2, 6926=2, 576/3.0=1 HB3 GLU 69 - HA GLU 92 poor 6 43 - 14 - 1.8/8133=4, 8135=3, 4.0/2107=2 HB3 MET 121 - HA LYS 123 lone 3 60 - 5 - 4.6/2231=3 HB3 GLU 112 - HA GLU 119 lone 3 97 - 3 - 1783/3.0=1 HB2 GLU 112 - HA GLU 119 lone 3 96 - 3 - 1783/3.0=1 HB3 GLU 69 - HA LYS 123 lone 3 44 - 7 - 1.8/8133=2, 4.0/2107=2, 8135=1 HB2 LYS 94 - HA GLU 92 lone 3 55 - 5 - 4.4/2159=3, 576/3.0=1 HB3 GLU 66 - HA LYS 123 lone 3 35 - 9 - 8135=2, 3.0/4902=2...(5) HB3 GLU 69 - HA LYS 40 lone 3 77 - 3 - HB3 PHE 79 - HA GLU 119 lone 2 100 - 2 - 759/3.6=1 HB2 GLU 103 - HA GLU 92 lone 2 47 - 5 - HB3 GLU 66 - HA GLU 92 lone 2 34 - 6 - 3.0/4908=1, 3.0/4902=1, 8135=1 HB3 GLU 91 - HA GLU 119 lone 2 97 - 2 - HB2 LYS 94 - HA LYS 40 lone 2 92 - 2 - 4.4/2159=1 HB2 LYS 94 - HA GLU 119 lone 2 98 - 2 - HB2 GLU 103 - HA GLU 119 lone 2 90 - 2 - HB3 GLU 69 - HA GLU 119 lone 1 84 - 2 - HB2 GLU 103 - HA LYS 40 lone 1 82 - 2 - HB3 GLU 66 - HA GLU 119 lone 1 70 - 2 - HB3 PHE 79 - HA GLU 92 lone 1 58 - 2 - HB2 GLU 13 - HA GLU 119 lone 1 87 - 1 - HG2 GLU 119 - HA LYS 40 lone 1 96 - 1 - HB2 GLU 87 - HA GLU 119 lone 1 65 - 1 - HB2 GLU 13 - HA LYS 40 lone 1 80 - 1 - HB2 LYS 94 - HA LYS 123 lone 1 56 - 1 - HG2 GLU 119 - HA LYS 123 lone 1 60 - 1 - HB3 GLU 91 - HA LYS 40 lone 1 91 - 1 - HB3 GLU 112 - HA LYS 123 lone 1 55 - 1 - HB2 GLU 87 - HA GLU 92 lone 1 31 - 2 - HB2 GLN 28 - HA GLU 119 lone 1 81 - 1 - HB2 GLU 112 - HA LYS 123 lone 1 53 - 1 - HB2 GLU 112 - HA GLU 92 lone 1 52 - 1 - HB3 GLU 112 - HA GLU 92 lone 1 53 - 1 - HB3 MET 121 - HA LYS 40 lone 0 96 - 0 - HB3 PHE 79 - HA LYS 40 lone 0 96 - 0 - HB3 GLU 66 - HA LYS 40 lone 0 63 - 1 - HB2 GLN 28 - HA LYS 40 lone 0 73 - 1 - HB3 MET 121 - HA GLU 92 lone 0 58 - 1 - HB2 GLU 13 - HA LYS 123 lone 0 46 - 1 - HB3 GLU 91 - HA LYS 123 lone 0 55 - 1 - HB3 GLU 112 - HA LYS 40 lone 0 91 - 0 - HB2 GLU 112 - HA LYS 40 lone 0 89 - 0 - HB3 PHE 79 - HA LYS 123 lone 0 60 - 1 - HB2 GLU 87 - HA LYS 40 lone 0 59 - 0 - HB2 GLU 103 - HA LYS 123 lone 0 48 - 1 - HB2 GLU 87 - HA LYS 123 lone 0 32 - 1 - HB2 GLN 28 - HA GLU 92 lone 0 40 - 0 - HB2 GLN 28 - HA LYS 123 lone 0 42 - 0 - Peak 6912 from cnoeabs.peaks (2.46, 4.03, 59.53 ppm; 3.62 A): 1 out of 28 assignments used, quality = 0.94: * HG3 GLU 119 + HA GLU 119 OK 94 100 - 94 - 4.1=69, 1784/3.0=23...(14) HG3 GLU 41 - HA LYS 40 OK 27 96 - 29 - 1264/3.6=22, 3.0/3651=2...(5) HG3 GLU 119 - HA GLU 92 OK 11 59 - 18 - 6932=5, 1.8/6926=3...(9) HG3 GLU 119 - HA LYS 40 lone 3 96 - 3 - 1264/3.6=1 HG3 GLU 41 - HA GLU 119 lone 2 100 - 2 - HG3 GLU 119 - HA LYS 123 lone 2 60 - 4 - HB2 ASP 31 - HA GLU 119 lone 2 96 - 2 - HB3 ASP 31 - HA GLU 119 lone 2 94 - 2 - HB2 TYR 102 - HA GLU 119 lone 1 84 - 2 - HG2 GLU 37 - HA LYS 40 lone 1 63 - 1 - HG2 GLN 100 - HA GLU 92 lone 1 31 - 2 - HB2 TYR 102 - HA LYS 40 lone 1 77 - 1 - HB2 ASP 31 - HA LYS 40 lone 1 89 - 1 - HB2 TYR 102 - HA LYS 123 lone 1 44 - 1 - HB3 ASP 31 - HA LYS 40 lone 1 87 - 1 - HG2 GLN 100 - HA GLU 119 lone 1 65 - 1 - HG2 GLU 37 - HA GLU 119 lone 1 70 - 1 - HG2 GLN 100 - HA LYS 40 lone 0 59 - 1 - HB2 TYR 102 - HA GLU 92 lone 0 43 - 1 - HG3 GLU 41 - HA LYS 123 lone 0 60 - 1 - HG2 GLU 37 - HA GLU 92 lone 0 34 - 1 - HG3 GLU 41 - HA GLU 92 lone 0 59 - 1 - HG2 GLN 100 - HA LYS 123 lone 0 32 - 1 - HB2 ASP 31 - HA LYS 123 lone 0 53 - 0 - HB2 ASP 31 - HA GLU 92 lone 0 52 - 0 - HB3 ASP 31 - HA LYS 123 lone 0 52 - 0 - HB3 ASP 31 - HA GLU 92 lone 0 50 - 0 - HG2 GLU 37 - HA LYS 123 lone 0 35 - 0 - Peak 6913 from cnoeabs.peaks (7.92, 2.12, 28.96 ppm; 3.26 A): 2 out of 12 assignments used, quality = 0.98: * H GLU 119 + HB2 GLU 119 OK 88 100 - 88 - 4.0=56, 1784/3.0=19...(18) H GLU 119 + HB3 GLU 119 OK 87 99 - 88 - 4.0=56, 1784/3.0=19...(18) H GLY 75 - HB2 GLU 119 lone 4 97 - 4 - 6931/3.0=1, 6925/3.0=1 H GLY 75 - HB3 GLU 119 lone 4 96 - 4 - 6931/3.0=1, 6925/3.0=1 H GLU 119 - HB3 GLU 92 lone 4 82 - 5 - 1782=1 H GLU 119 - HB2 GLU 91 lone 2 90 - 2 - H GLY 75 - HB2 GLU 91 lone 1 85 - 1 - HD21 ASN 33 - HB2 GLU 91 lone 1 46 - 1 - HD21 ASN 33 - HB2 GLU 119 lone 0 57 - 1 - HD21 ASN 33 - HB3 GLU 119 lone 0 56 - 1 - H GLY 75 - HB3 GLU 92 lone 0 76 - 0 - HD21 ASN 33 - HB3 GLU 92 lone 0 41 - 1 - Peak 6914 from cnoeabs.peaks (4.03, 2.12, 28.96 ppm; 2.89 A): 3 out of 52 assignments used, quality = 1.00: * HA GLU 119 + HB2 GLU 119 OK 96 100 - 96 - 3.0=89, 3.0/1781=11...(20) HA GLU 119 + HB3 GLU 119 OK 96 99 - 96 - 3.0=89, 3.0/1781=11...(20) HA GLU 92 + HB3 GLU 92 OK 77 79 - 97 - 3.0=89, 5854/1.8=15...(32) HA PHE 120 - HB2 GLU 119 OK 38 99 - 38 - 3.0/757=8, 6926/3.0=5...(11) HA PHE 120 - HB3 GLU 119 OK 37 98 - 38 - 3.0/757=8, 6926/3.0=5...(11) HA GLU 92 - HB2 GLU 91 OK 30 87 - 34 - 3.0/575=8, ~7765=6...(11) HA GLU 92 - HB2 GLU 119 OK 15 99 - 15 - 3.0/575=2, 6932/3.0=2...(6) HA GLU 92 - HB3 GLU 119 OK 15 98 - 15 - 3.0/575=2, 6932/3.0=2...(7) HA GLU 13 - HB3 GLU 92 OK 11 82 - 14 - 5854/1.8=2, 2611/3.0=1...(5) HA GLU 66 - HB3 GLU 92 lone 5 82 - 6 - 5854/1.8=1 HA GLU 119 - HB3 GLU 92 lone 5 82 - 6 - HB3 SER 126 - HB3 GLU 92 lone 3 81 - 3 - HB2 SER 126 - HB3 GLU 92 lone 3 80 - 3 - HA3 GLY 75 - HB2 GLU 119 lone 2 77 - 3 - HA3 GLY 75 - HB3 GLU 119 lone 2 75 - 3 - HA GLU 87 - HB3 GLU 92 lone 2 75 - 3 - HA GLU 119 - HB2 GLU 91 lone 2 90 - 2 - HA LYS 123 - HB3 GLU 119 lone 2 99 - 2 - HA LYS 123 - HB2 GLU 119 lone 2 100 - 2 - HA LYS 40 - HB2 GLU 119 lone 2 99 - 2 - HA LYS 40 - HB3 GLU 119 lone 2 98 - 2 - HA GLU 87 - HB2 GLU 91 lone 1 83 - 2 - HB3 SER 126 - HB2 GLU 91 lone 1 89 - 1 - HA PHE 120 - HB3 GLU 92 lone 1 79 - 1 - HB2 SER 126 - HB2 GLU 91 lone 1 88 - 1 - HA GLU 13 - HB2 GLU 91 lone 1 90 - 1 - HA3 GLY 101 - HB2 GLU 91 lone 1 53 - 2 - HA PHE 120 - HB2 GLU 91 lone 1 87 - 1 - HB3 SER 126 - HB2 GLU 119 lone 1 100 - 1 - HB2 SER 126 - HB2 GLU 119 lone 1 99 - 1 - HB3 SER 126 - HB3 GLU 119 lone 1 99 - 1 - HB2 SER 126 - HB3 GLU 119 lone 1 98 - 1 - HA LYS 123 - HB3 GLU 92 lone 1 82 - 1 - HA GLU 13 - HB3 GLU 119 lone 1 99 - 1 - HA GLU 13 - HB2 GLU 119 lone 1 100 - 1 - HA LYS 40 - HB2 GLU 91 lone 1 87 - 1 - HA LYS 123 - HB2 GLU 91 lone 1 90 - 1 - HA GLU 66 - HB2 GLU 119 lone 1 100 - 1 - HA GLU 66 - HB3 GLU 119 lone 1 99 - 1 - HA GLU 87 - HB2 GLU 119 lone 1 96 - 1 - HA GLU 87 - HB3 GLU 119 lone 1 94 - 1 - HA3 GLY 75 - HB2 GLU 91 lone 0 64 - 1 - HA SER 35 - HB2 GLU 119 lone 0 61 - 1 - HA SER 35 - HB3 GLU 119 lone 0 60 - 1 - HA GLU 66 - HB2 GLU 91 lone 0 90 - 0 - HA LYS 40 - HB3 GLU 92 lone 0 79 - 0 - HA SER 35 - HB3 GLU 92 lone 0 44 - 1 - HA3 GLY 101 - HB2 GLU 119 lone 0 65 - 0 - HA3 GLY 101 - HB3 GLU 119 lone 0 64 - 0 - HA SER 35 - HB2 GLU 91 lone 0 50 - 0 - HA3 GLY 75 - HB3 GLU 92 lone 0 57 - 0 - HA3 GLY 101 - HB3 GLU 92 lone 0 47 - 0 - Peak 6915 from cnoeabs.peaks (2.12, 2.12, 28.96 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB2 GLU 119 + HB2 GLU 119 OK 100 100 - 100 HB3 GLU 119 + HB3 GLU 119 OK 99 99 - 100 HB2 GLU 91 + HB2 GLU 91 OK 83 83 - 100 HB3 GLU 92 + HB3 GLU 92 OK 70 70 - 100 Peak 6916 from cnoeabs.peaks (2.11, 2.12, 28.96 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB2 GLU 119 + HB2 GLU 119 OK 100 100 - 100 HB3 GLU 119 + HB3 GLU 119 OK 99 99 - 100 HB3 GLU 92 + HB3 GLU 92 OK 76 76 - 100 HB2 GLU 91 + HB2 GLU 91 OK 76 76 - 100 Reference assignment not found: HB3 GLU 119 - HB2 GLU 119 Peak 6917 from cnoeabs.peaks (2.08, 2.12, 28.96 ppm; 2.40 A): 1 out of 1 assignment used, quality = 0.85: HB3 GLU 91 + HB2 GLU 91 OK 85 85 - 100 - 1.8=100 Reference assignment not found: HG2 GLU 119 - HB2 GLU 119 Peak 6918 from cnoeabs.peaks (2.46, 2.12, 28.96 ppm; 3.10 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 119 + HB2 GLU 119 OK 100 100 - 100 - 3.0=100 HG3 GLU 119 + HB3 GLU 119 OK 99 99 - 100 - 3.0=100 Peak 6919 from cnoeabs.peaks (7.92, 2.11, 28.96 ppm; 3.26 A): 2 out of 12 assignments used, quality = 0.98: * H GLU 119 + HB3 GLU 119 OK 88 100 - 88 - 4.0=56, 1784/3.0=19...(18) H GLU 119 + HB2 GLU 119 OK 87 99 - 88 - 4.0=56, 1784/3.0=19...(18) H GLU 119 - HB3 GLU 92 lone 5 93 - 5 - 1782=1 H GLY 75 - HB3 GLU 119 lone 4 97 - 4 - 6931/3.0=1, 6925/3.0=1 H GLY 75 - HB2 GLU 119 lone 4 96 - 4 - 6931/3.0=1, 6925/3.0=1 H GLU 119 - HB2 GLU 91 lone 2 78 - 2 - H GLY 75 - HB2 GLU 91 lone 0 72 - 1 - HD21 ASN 33 - HB3 GLU 119 lone 0 57 - 1 - HD21 ASN 33 - HB2 GLU 91 lone 0 38 - 1 - HD21 ASN 33 - HB2 GLU 119 lone 0 56 - 1 - H GLY 75 - HB3 GLU 92 lone 0 87 - 0 - HD21 ASN 33 - HB3 GLU 92 lone 0 48 - 1 - Peak 6920 from cnoeabs.peaks (4.03, 2.11, 28.96 ppm; 2.89 A): 3 out of 52 assignments used, quality = 1.00: * HA GLU 119 + HB3 GLU 119 OK 96 100 - 96 - 3.0=89, 3.0/1782=11...(20) HA GLU 119 + HB2 GLU 119 OK 96 99 - 96 - 3.0=89, 3.0/1781=11...(20) HA GLU 92 + HB3 GLU 92 OK 87 90 - 97 - 3.0=89, 5854/1.8=15...(32) HA PHE 120 - HB3 GLU 119 OK 38 99 - 38 - 3.0/758=8, 6926/3.0=5...(11) HA PHE 120 - HB2 GLU 119 OK 37 98 - 38 - 3.0/757=8, 6926/3.0=5...(11) HA GLU 92 - HB2 GLU 91 OK 25 75 - 34 - 3.0/575=8, ~7765=6...(11) HA GLU 92 - HB3 GLU 119 OK 15 99 - 15 - 3.0/1606=2, 6932/3.0=2...(7) HA GLU 92 - HB2 GLU 119 OK 15 98 - 15 - 3.0/575=2, 6932/3.0=2...(6) HA GLU 13 - HB3 GLU 92 OK 13 93 - 14 - 5854/1.8=2, 2611/3.0=1...(5) HA GLU 66 - HB3 GLU 92 lone 6 93 - 7 - 5854/1.8=1 HA GLU 119 - HB3 GLU 92 lone 6 93 - 6 - HB3 SER 126 - HB3 GLU 92 lone 3 92 - 3 - HB2 SER 126 - HB3 GLU 92 lone 3 91 - 3 - HA GLU 87 - HB3 GLU 92 lone 2 86 - 3 - HA3 GLY 75 - HB3 GLU 119 lone 2 77 - 3 - HA3 GLY 75 - HB2 GLU 119 lone 2 75 - 3 - HA GLU 119 - HB2 GLU 91 lone 2 78 - 2 - HA LYS 123 - HB3 GLU 119 lone 2 100 - 2 - HA LYS 123 - HB2 GLU 119 lone 2 99 - 2 - HA LYS 40 - HB2 GLU 119 lone 2 98 - 2 - HA LYS 40 - HB3 GLU 119 lone 1 99 - 1 - HA PHE 120 - HB3 GLU 92 lone 1 90 - 1 - HA GLU 87 - HB2 GLU 91 lone 1 71 - 2 - HB3 SER 126 - HB2 GLU 91 lone 1 77 - 1 - HB2 SER 126 - HB2 GLU 91 lone 1 76 - 1 - HA LYS 123 - HB3 GLU 92 lone 1 92 - 1 - HB3 SER 126 - HB3 GLU 119 lone 1 100 - 1 - HB2 SER 126 - HB3 GLU 119 lone 1 99 - 1 - HB3 SER 126 - HB2 GLU 119 lone 1 99 - 1 - HB2 SER 126 - HB2 GLU 119 lone 1 98 - 1 - HA GLU 13 - HB2 GLU 91 lone 1 78 - 1 - HA GLU 13 - HB3 GLU 119 lone 1 100 - 1 - HA GLU 13 - HB2 GLU 119 lone 1 99 - 1 - HA PHE 120 - HB2 GLU 91 lone 1 75 - 1 - HA3 GLY 101 - HB2 GLU 91 lone 1 44 - 2 - HA GLU 66 - HB3 GLU 119 lone 1 100 - 1 - HA GLU 66 - HB2 GLU 119 lone 1 99 - 1 - HA LYS 40 - HB2 GLU 91 lone 1 75 - 1 - HA GLU 87 - HB2 GLU 119 lone 1 94 - 1 - HA LYS 123 - HB2 GLU 91 lone 1 78 - 1 - HA GLU 87 - HB3 GLU 119 lone 1 96 - 1 - HA LYS 40 - HB3 GLU 92 lone 0 90 - 0 - HA SER 35 - HB3 GLU 119 lone 0 61 - 1 - HA SER 35 - HB2 GLU 119 lone 0 60 - 1 - HA SER 35 - HB3 GLU 92 lone 0 52 - 1 - HA3 GLY 75 - HB2 GLU 91 lone 0 53 - 1 - HA GLU 66 - HB2 GLU 91 lone 0 78 - 0 - HA3 GLY 101 - HB3 GLU 119 lone 0 65 - 0 - HA3 GLY 101 - HB2 GLU 119 lone 0 64 - 0 - HA3 GLY 75 - HB3 GLU 92 lone 0 66 - 0 - HA3 GLY 101 - HB3 GLU 92 lone 0 56 - 0 - HA SER 35 - HB2 GLU 91 lone 0 41 - 0 - Peak 6921 from cnoeabs.peaks (2.12, 2.11, 28.96 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: HB3 GLU 119 + HB3 GLU 119 OK 100 100 - 100 HB2 GLU 119 + HB2 GLU 119 OK 99 99 - 100 HB3 GLU 92 + HB3 GLU 92 OK 81 81 - 100 HB2 GLU 91 + HB2 GLU 91 OK 71 71 - 100 Reference assignment not found: HB2 GLU 119 - HB3 GLU 119 Peak 6922 from cnoeabs.peaks (2.11, 2.11, 28.96 ppm; diagonal): 4 out of 4 assignments used, quality = 1.00: * HB3 GLU 119 + HB3 GLU 119 OK 100 100 - 100 HB2 GLU 119 + HB2 GLU 119 OK 99 99 - 100 HB3 GLU 92 + HB3 GLU 92 OK 87 87 - 100 HB2 GLU 91 + HB2 GLU 91 OK 64 64 - 100 Peak 6923 from cnoeabs.peaks (2.08, 2.11, 28.96 ppm; 2.40 A): 1 out of 1 assignment used, quality = 0.72: HB3 GLU 91 + HB2 GLU 91 OK 72 72 - 100 - 1.8=100 Reference assignment not found: HG2 GLU 119 - HB3 GLU 119 Peak 6924 from cnoeabs.peaks (2.46, 2.11, 28.96 ppm; 3.10 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 119 + HB3 GLU 119 OK 100 100 - 100 - 3.0=100 HG3 GLU 119 + HB2 GLU 119 OK 99 99 - 100 - 3.0=100 Peak 6925 from cnoeabs.peaks (7.92, 2.08, 36.01 ppm; 4.21 A): 1 out of 3 assignments used, quality = 0.93: * H GLU 119 + HG2 GLU 119 OK 93 100 - 93 - 5.3=51, 1784/1.8=38...(17) H GLY 75 - HG2 GLU 119 lone 7 97 - 7 - 6931/1.8=3 HD21 ASN 33 - HG2 GLU 119 lone 1 57 - 1 - Peak 6926 from cnoeabs.peaks (4.03, 2.08, 36.01 ppm; 3.80 A): 2 out of 13 assignments used, quality = 0.99: * HA GLU 119 + HG2 GLU 119 OK 97 100 - 97 - 4.1=80, 6912/1.8=24...(14) HA PHE 120 + HG2 GLU 119 OK 56 99 - 57 - 3.0/7916=12, 6932/1.8=11...(13) HA GLU 92 - HG2 GLU 119 OK 19 99 - 19 - 6932/1.8=4, 3.0/576=2...(10) HA3 GLY 75 - HG2 GLU 119 lone 4 77 - 6 - 3.0/6925=2, ~6931=1 HB2 SER 126 - HG2 GLU 119 lone 2 99 - 2 - 10642/11202=1 HA LYS 123 - HG2 GLU 119 lone 2 100 - 2 - HB3 SER 126 - HG2 GLU 119 lone 2 100 - 2 - 10642/11202=1 HA LYS 40 - HG2 GLU 119 lone 2 99 - 2 - HA GLU 13 - HG2 GLU 119 lone 2 100 - 2 - HA GLU 66 - HG2 GLU 119 lone 1 100 - 1 - HA GLU 87 - HG2 GLU 119 lone 1 96 - 1 - HA SER 35 - HG2 GLU 119 lone 1 61 - 1 - HA3 GLY 101 - HG2 GLU 119 lone 0 65 - 1 - Peak 6927 from cnoeabs.peaks (2.12, 2.08, 36.01 ppm; 2.52 A): 2 out of 14 assignments used, quality = 0.95: * HB2 GLU 119 + HG2 GLU 119 OK 78 100 - 78 - 3.0=59, 6933/1.8=13...(11) HB3 GLU 119 + HG2 GLU 119 OK 78 100 - 78 - 3.0=59, 6933/1.8=13...(11) HB3 GLU 92 - HG2 GLU 119 lone 6 92 - 6 - 3.0/6926=1, 6934/1.8=1 HB2 GLU 91 - HG2 GLU 119 lone 2 96 - 2 - HB VAL 107 - HG2 GLU 119 lone 1 100 - 1 - HB2 LEU 38 - HG2 GLU 119 lone 0 100 - 0 - HB2 GLU 21 - HG2 GLU 119 lone 0 100 - 0 - HG2 GLU 21 - HG2 GLU 119 lone 0 90 - 0 - HG3 GLU 21 - HG2 GLU 119 lone 0 84 - 0 - HB3 GLU 47 - HG2 GLU 119 lone 0 97 - 0 - HG3 GLN 83 - HG2 GLU 119 lone 0 100 - 0 - HB2 GLU 111 - HG2 GLU 119 lone 0 65 - 0 - HG2 GLU 41 - HG2 GLU 119 lone 0 73 - 0 - HG2 GLU 52 - HG2 GLU 119 lone 0 70 - 0 - Peak 6928 from cnoeabs.peaks (2.11, 2.08, 36.01 ppm; 2.52 A): 2 out of 14 assignments used, quality = 0.95: * HB3 GLU 119 + HG2 GLU 119 OK 78 100 - 78 - 3.0=59, 6934/1.8=13...(11) HB2 GLU 119 + HG2 GLU 119 OK 78 100 - 78 - 3.0=59, 6934/1.8=13...(11) HB3 GLU 92 - HG2 GLU 119 lone 6 97 - 6 - 3.0/6926=1, 6934/1.8=1 HB2 GLU 91 - HG2 GLU 119 lone 2 90 - 2 - HB VAL 107 - HG2 GLU 119 lone 1 100 - 1 - HB2 LEU 38 - HG2 GLU 119 lone 0 100 - 0 - HG2 GLU 21 - HG2 GLU 119 lone 0 96 - 0 - HB2 GLU 21 - HG2 GLU 119 lone 0 100 - 0 - HG3 GLU 21 - HG2 GLU 119 lone 0 92 - 0 - HB2 GLU 111 - HG2 GLU 119 lone 0 77 - 0 - HB3 GLU 47 - HG2 GLU 119 lone 0 99 - 0 - HG3 GLN 83 - HG2 GLU 119 lone 0 100 - 0 - HG2 GLU 41 - HG2 GLU 119 lone 0 61 - 0 - HG2 GLU 52 - HG2 GLU 119 lone 0 81 - 0 - Peak 6929 from cnoeabs.peaks (2.08, 2.08, 36.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 119 + HG2 GLU 119 OK 100 100 - 100 Peak 6930 from cnoeabs.peaks (2.46, 2.08, 36.01 ppm; 2.62 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 119 + HG2 GLU 119 OK 100 100 - 100 - 1.8=100 Peak 6931 from cnoeabs.peaks (7.92, 2.46, 36.01 ppm; 4.03 A): 1 out of 3 assignments used, quality = 0.89: * H GLU 119 + HG3 GLU 119 OK 89 100 - 89 - 5.3=45, 6925/1.8=33...(15) H GLY 75 - HG3 GLU 119 lone 7 97 - 7 - 6925/1.8=3 HD21 ASN 33 - HG3 GLU 119 lone 1 57 - 1 - Peak 6932 from cnoeabs.peaks (4.03, 2.46, 36.01 ppm; 3.41 A): 3 out of 13 assignments used, quality = 0.95: * HA GLU 119 + HG3 GLU 119 OK 90 100 - 90 - 4.1=58, 3.0/1784=21...(14) HA PHE 120 + HG3 GLU 119 OK 40 99 - 40 - 6926/1.8=9, ~7916=8...(10) HA GLU 92 + HG3 GLU 119 OK 15 99 - 15 - 6926/1.8=3, 6912=3...(7) HA3 GLY 75 - HG3 GLU 119 lone 4 77 - 4 - 3.0/6931=2 HA LYS 123 - HG3 GLU 119 lone 3 100 - 3 - HA LYS 40 - HG3 GLU 119 lone 3 99 - 3 - HB2 SER 126 - HG3 GLU 119 lone 1 99 - 1 - HB3 SER 126 - HG3 GLU 119 lone 1 100 - 1 - HA GLU 13 - HG3 GLU 119 lone 1 100 - 1 - HA GLU 66 - HG3 GLU 119 lone 1 100 - 1 - HA GLU 87 - HG3 GLU 119 lone 1 96 - 1 - HA SER 35 - HG3 GLU 119 lone 0 61 - 1 - HA3 GLY 101 - HG3 GLU 119 lone 0 65 - 1 - Peak 6933 from cnoeabs.peaks (2.12, 2.46, 36.01 ppm; 2.73 A): 2 out of 14 assignments used, quality = 0.99: * HB2 GLU 119 + HG3 GLU 119 OK 88 100 - 88 - 3.0=75, 6927/1.8=16...(13) HB3 GLU 119 + HG3 GLU 119 OK 88 100 - 88 - 3.0=75, 6927/1.8=16...(13) HB3 GLU 92 - HG3 GLU 119 lone 6 92 - 7 - 3.0/6932=2, 6928/1.8=1 HB2 GLU 91 - HG3 GLU 119 lone 1 96 - 1 - HB VAL 107 - HG3 GLU 119 lone 1 100 - 1 - HG2 GLU 41 - HG3 GLU 119 lone 1 73 - 1 - HB2 LEU 38 - HG3 GLU 119 lone 0 100 - 0 - HB2 GLU 21 - HG3 GLU 119 lone 0 100 - 0 - HG2 GLU 21 - HG3 GLU 119 lone 0 90 - 0 - HG3 GLU 21 - HG3 GLU 119 lone 0 84 - 0 - HG3 GLN 83 - HG3 GLU 119 lone 0 100 - 0 - HB3 GLU 47 - HG3 GLU 119 lone 0 97 - 0 - HB2 GLU 111 - HG3 GLU 119 lone 0 65 - 0 - HG2 GLU 52 - HG3 GLU 119 lone 0 70 - 0 - Peak 6934 from cnoeabs.peaks (2.11, 2.46, 36.01 ppm; 2.73 A): 2 out of 14 assignments used, quality = 0.99: * HB3 GLU 119 + HG3 GLU 119 OK 88 100 - 88 - 3.0=75, 6928/1.8=16...(13) HB2 GLU 119 + HG3 GLU 119 OK 88 100 - 88 - 3.0=75, 6928/1.8=16...(13) HB3 GLU 92 - HG3 GLU 119 lone 7 97 - 7 - 3.0/6932=2, 6928/1.8=1 HB2 GLU 91 - HG3 GLU 119 lone 1 90 - 1 - HB VAL 107 - HG3 GLU 119 lone 1 100 - 1 - HB2 LEU 38 - HG3 GLU 119 lone 0 100 - 0 - HB2 GLU 21 - HG3 GLU 119 lone 0 100 - 0 - HG2 GLU 21 - HG3 GLU 119 lone 0 96 - 0 - HG3 GLU 21 - HG3 GLU 119 lone 0 92 - 0 - HG2 GLU 41 - HG3 GLU 119 lone 0 61 - 1 - HB2 GLU 111 - HG3 GLU 119 lone 0 77 - 0 - HG3 GLN 83 - HG3 GLU 119 lone 0 100 - 0 - HB3 GLU 47 - HG3 GLU 119 lone 0 99 - 0 - HG2 GLU 52 - HG3 GLU 119 lone 0 81 - 0 - Peak 6935 from cnoeabs.peaks (2.08, 2.46, 36.01 ppm; 2.52 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLU 119 + HG3 GLU 119 OK 100 100 - 100 - 1.8=100 Peak 6936 from cnoeabs.peaks (2.46, 2.46, 36.01 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 GLU 119 + HG3 GLU 119 OK 100 100 - 100 Peak 6937 from cnoeabs.peaks (8.83, 4.02, 56.87 ppm; 4.36 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 120 + HA PHE 120 OK 100 100 - 100 - 3.0=100 Peak 6938 from cnoeabs.peaks (4.02, 4.02, 56.87 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA PHE 120 + HA PHE 120 OK 100 100 - 100 Peak 6939 from cnoeabs.peaks (3.22, 4.02, 56.87 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 120 + HA PHE 120 OK 100 100 - 100 - 3.0=100 Peak 6940 from cnoeabs.peaks (2.34, 4.02, 56.87 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 120 + HA PHE 120 OK 100 100 - 100 - 3.0=100 Peak 6943 from cnoeabs.peaks (7.13, 4.02, 56.87 ppm; 4.95 A): 1 out of 3 assignments used, quality = 0.89: * QE PHE 120 + HA PHE 120 OK 89 98 - 91 - 5.6=68, 2.2/6944=47...(5) QE PHE 93 - HA PHE 120 lone 3 99 - 3 - QD PHE 51 - HA PHE 120 lone 2 97 - 2 - Peak 6944 from cnoeabs.peaks (6.79, 4.02, 56.87 ppm; 3.34 A): 1 out of 2 assignments used, quality = 0.84: * QD PHE 120 + HA PHE 120 OK 84 100 - 84 - 3.7=72, 4700/3.0=20...(4) QD TYR 27 - HA PHE 120 lone 4 100 - 4 - 1792/3.0=2 Peak 6945 from cnoeabs.peaks (8.83, 3.22, 36.75 ppm; 4.96 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 120 + HB2 PHE 120 OK 100 100 - 100 - 4.0=100 Peak 6946 from cnoeabs.peaks (4.02, 3.22, 36.75 ppm; 4.93 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 120 + HB2 PHE 120 OK 100 100 - 100 - 3.0=100 Peak 6947 from cnoeabs.peaks (3.22, 3.22, 36.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 120 + HB2 PHE 120 OK 100 100 - 100 Peak 6948 from cnoeabs.peaks (2.34, 3.22, 36.75 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 120 + HB2 PHE 120 OK 100 100 - 100 - 1.8=100 Peak 6952 from cnoeabs.peaks (6.79, 3.22, 36.75 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 120 + HB2 PHE 120 OK 100 100 - 100 - 2.4=100 Peak 6953 from cnoeabs.peaks (8.83, 2.34, 36.75 ppm; 4.90 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 120 + HB3 PHE 120 OK 100 100 - 100 - 4.0=100 Peak 6954 from cnoeabs.peaks (4.02, 2.34, 36.75 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 120 + HB3 PHE 120 OK 100 100 - 100 - 3.0=100 Peak 6955 from cnoeabs.peaks (3.22, 2.34, 36.75 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 120 + HB3 PHE 120 OK 100 100 - 100 - 1.8=100 Peak 6956 from cnoeabs.peaks (2.34, 2.34, 36.75 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 120 + HB3 PHE 120 OK 100 100 - 100 Peak 6960 from cnoeabs.peaks (6.79, 2.34, 36.75 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 120 + HB3 PHE 120 OK 100 100 - 100 - 2.4=100 Peak 6975 from cnoeabs.peaks (7.13, 7.13, 131.15 ppm; diagonal): 1 out of 1 assignment used, quality = 0.69: * QE PHE 120 + QE PHE 120 OK 69 69 - 100 Peak 6976 from cnoeabs.peaks (6.79, 7.13, 131.15 ppm; 4.14 A): 1 out of 1 assignment used, quality = 0.73: * QD PHE 120 + QE PHE 120 OK 73 73 - 100 - 2.2=100 Peak 6977 from cnoeabs.peaks (8.83, 6.79, 129.60 ppm; 5.87 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 120 + QD PHE 120 OK 100 100 - 100 - 4.5=100 Peak 6978 from cnoeabs.peaks (4.02, 6.79, 129.60 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 120 + QD PHE 120 OK 100 100 - 100 - 3.7=100 Peak 6979 from cnoeabs.peaks (3.22, 6.79, 129.60 ppm; 4.65 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 120 + QD PHE 120 OK 100 100 - 100 - 2.4=100 Peak 6980 from cnoeabs.peaks (2.34, 6.79, 129.60 ppm; 4.95 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 120 + QD PHE 120 OK 100 100 - 100 - 2.4=100 Peak 6983 from cnoeabs.peaks (7.13, 6.79, 129.60 ppm; 3.61 A): 1 out of 1 assignment used, quality = 0.97: * QE PHE 120 + QD PHE 120 OK 97 97 - 100 - 2.2=100 Peak 6984 from cnoeabs.peaks (6.79, 6.79, 129.60 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 120 + QD PHE 120 OK 100 100 - 100 Peak 6985 from cnoeabs.peaks (8.32, 3.93, 59.78 ppm; 4.80 A): 1 out of 1 assignment used, quality = 1.00: * H MET 121 + HA MET 121 OK 100 100 - 100 - 2.9=100 Peak 6986 from cnoeabs.peaks (3.93, 3.93, 59.78 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA MET 121 + HA MET 121 OK 100 100 - 100 Peak 6987 from cnoeabs.peaks (2.29, 3.93, 59.78 ppm; 4.44 A): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 121 + HA MET 121 OK 100 100 - 100 - 3.0=100 Peak 6988 from cnoeabs.peaks (2.08, 3.93, 59.78 ppm; 3.89 A): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 121 + HA MET 121 OK 100 100 - 100 - 3.0=100 Peak 6989 from cnoeabs.peaks (1.92, 3.93, 59.78 ppm; 3.72 A): 1 out of 20 assignments used, quality = 0.93: * HG2 MET 121 + HA MET 121 OK 93 100 - 93 - 4.1=74, 3.4/7021=26...(13) HB3 LYS 123 - HA MET 121 OK 21 100 - 21 - 4.4/2241=8, 1797/2.9=4...(5) HB2 LYS 123 - HA MET 121 OK 13 70 - 19 - 4.4/2241=8, 1797/2.9=3...(5) HB ILE 15 - HA MET 121 lone 8 100 - 8 - 1797/2.9=2, ~763=2...(4) HB2 LEU 45 - HA MET 121 lone 3 84 - 4 - 1.8/8304=1 HB2 LYS 43 - HA MET 121 lone 3 92 - 3 - HB2 LEU 81 - HA MET 121 lone 2 100 - 2 - 1797/2.9=1 HB3 LYS 43 - HA MET 121 lone 2 73 - 3 - HB2 LYS 44 - HA MET 121 lone 2 98 - 2 - HB2 GLU 128 - HA MET 121 lone 2 73 - 2 - HB3 LYS 44 - HA MET 121 lone 1 90 - 2 - HB3 LYS 17 - HA MET 121 lone 1 99 - 1 - HB3 LYS 65 - HA MET 121 lone 1 73 - 2 - HB2 LEU 127 - HA MET 121 lone 1 73 - 2 - HB2 LYS 65 - HA MET 121 lone 1 70 - 2 - HB2 LYS 115 - HA MET 121 lone 1 90 - 1 - HB2 LYS 49 - HA MET 121 lone 1 65 - 1 - HB3 LYS 115 - HA MET 121 lone 1 70 - 1 - HB2 LYS 96 - HA MET 121 lone 1 73 - 1 - HB2 LYS 39 - HA MET 121 lone 1 70 - 1 - Peak 6990 from cnoeabs.peaks (2.63, 3.93, 59.78 ppm; 4.83 A): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 121 + HA MET 121 OK 100 100 - 100 - 4.1=100 Peak 6991 from cnoeabs.peaks (1.83, 3.93, 59.78 ppm; 3.89 A): 3 out of 10 assignments used, quality = 0.92: * QE MET 121 + HA MET 121 OK 88 100 - 88 - 7021=48, 7022/3.0=27...(9) HB ILE 18 + HA MET 121 OK 20 94 - 21 - 6998/3.0=5, 1799/2.9=4...(8) HD2 LYS 123 + HA MET 121 OK 13 84 - 15 - 1799/2.9=4, 775/3.6=4...(5) HB2 LEU 14 - HA MET 121 poor 10 97 - 10 - 1.8/8304=4, 1799/2.9=2...(4) HB ILE 57 - HA MET 121 lone 5 97 - 5 - 6998/3.0=2, 1799/2.9=1 HG LEU 70 - HA MET 121 lone 2 65 - 3 - HB3 LYS 77 - HA MET 121 lone 2 90 - 2 - HB3 LYS 19 - HA MET 121 lone 2 99 - 2 - HB2 LYS 77 - HA MET 121 lone 2 84 - 2 - HB3 ARG 105 - HA MET 121 lone 1 81 - 1 - Peak 6992 from cnoeabs.peaks (8.32, 2.29, 33.64 ppm; 4.69 A): 1 out of 1 assignment used, quality = 1.00: * H MET 121 + HB2 MET 121 OK 100 100 - 100 - 4.0=100 Peak 6993 from cnoeabs.peaks (3.93, 2.29, 33.64 ppm; 4.52 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 121 + HB2 MET 121 OK 100 100 - 100 - 3.0=100 Peak 6994 from cnoeabs.peaks (2.29, 2.29, 33.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 121 + HB2 MET 121 OK 100 100 - 100 Peak 6995 from cnoeabs.peaks (2.08, 2.29, 33.64 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 121 + HB2 MET 121 OK 100 100 - 100 - 1.8=100 Peak 6996 from cnoeabs.peaks (1.92, 2.29, 33.64 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 121 + HB2 MET 121 OK 100 100 - 100 - 3.0=100 Peak 6997 from cnoeabs.peaks (2.63, 2.29, 33.64 ppm; 4.84 A): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 121 + HB2 MET 121 OK 100 100 - 100 - 3.0=100 Peak 6998 from cnoeabs.peaks (1.83, 2.29, 33.64 ppm; 4.20 A): 1 out of 10 assignments used, quality = 0.99: * QE MET 121 + HB2 MET 121 OK 99 100 - 99 - 4.3=96, 7021/3.0=35...(7) HB ILE 18 - HB2 MET 121 OK 32 94 - 35 - ~10592=7, 2.9/10596=6...(11) HB ILE 57 - HB2 MET 121 OK 12 97 - 12 - ~9556=4, ~10593=2...(8) HD2 LYS 123 - HB2 MET 121 OK 11 84 - 13 - 1799/4.0=4, 775/4.6=4 HB2 LEU 14 - HB2 MET 121 OK 10 97 - 11 - 6991/3.0=2, ~8304=2...(5) HB3 LYS 19 - HB2 MET 121 lone 2 99 - 2 - HB3 LYS 77 - HB2 MET 121 lone 2 90 - 2 - HG LEU 70 - HB2 MET 121 lone 2 65 - 3 - HB2 LYS 77 - HB2 MET 121 lone 2 84 - 2 - HB3 ARG 105 - HB2 MET 121 lone 1 81 - 1 - Peak 6999 from cnoeabs.peaks (8.32, 2.08, 33.64 ppm; 4.94 A): 1 out of 1 assignment used, quality = 1.00: * H MET 121 + HB3 MET 121 OK 100 100 - 100 - 4.0=100 Peak 7000 from cnoeabs.peaks (3.93, 2.08, 33.64 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 121 + HB3 MET 121 OK 100 100 - 100 - 3.0=100 Peak 7001 from cnoeabs.peaks (2.29, 2.08, 33.64 ppm; 3.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 121 + HB3 MET 121 OK 100 100 - 100 - 1.8=100 Peak 7002 from cnoeabs.peaks (2.08, 2.08, 33.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 121 + HB3 MET 121 OK 100 100 - 100 Peak 7003 from cnoeabs.peaks (1.92, 2.08, 33.64 ppm; 3.97 A): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 121 + HB3 MET 121 OK 100 100 - 100 - 3.0=100 Peak 7004 from cnoeabs.peaks (2.63, 2.08, 33.64 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 121 + HB3 MET 121 OK 100 100 - 100 - 3.0=100 Peak 7005 from cnoeabs.peaks (1.83, 2.08, 33.64 ppm; 4.37 A): 1 out of 1 assignment used, quality = 1.00: * QE MET 121 + HB3 MET 121 OK 100 100 - 100 - 4.3=100 Peak 7006 from cnoeabs.peaks (8.32, 1.92, 31.22 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * H MET 121 + HG2 MET 121 OK 100 100 - 100 - 4.6=100 Peak 7007 from cnoeabs.peaks (3.93, 1.92, 31.22 ppm; 4.70 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 121 + HG2 MET 121 OK 100 100 - 100 - 4.1=100 Peak 7008 from cnoeabs.peaks (2.29, 1.92, 31.22 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 121 + HG2 MET 121 OK 100 100 - 100 - 3.0=100 Peak 7009 from cnoeabs.peaks (2.08, 1.92, 31.22 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 121 + HG2 MET 121 OK 100 100 - 100 - 3.0=100 Peak 7010 from cnoeabs.peaks (1.92, 1.92, 31.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 121 + HG2 MET 121 OK 100 100 - 100 Peak 7011 from cnoeabs.peaks (2.63, 1.92, 31.22 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 121 + HG2 MET 121 OK 100 100 - 100 - 1.8=100 Peak 7012 from cnoeabs.peaks (1.83, 1.92, 31.22 ppm; 4.14 A): 1 out of 1 assignment used, quality = 1.00: * QE MET 121 + HG2 MET 121 OK 100 100 - 100 - 3.4=100 Peak 7013 from cnoeabs.peaks (8.32, 2.63, 31.22 ppm; 4.47 A): 1 out of 2 assignments used, quality = 0.98: * H MET 121 + HG3 MET 121 OK 98 100 - 98 - 4.6=90, 1795/3.0=34...(11) H GLU 103 - HG3 MET 121 lone 4 100 - 4 - 7020/3.4=1, 1683/3.0=1 Peak 7014 from cnoeabs.peaks (3.93, 2.63, 31.22 ppm; 4.53 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 121 + HG3 MET 121 OK 100 100 - 100 - 4.1=100 Peak 7015 from cnoeabs.peaks (2.29, 2.63, 31.22 ppm; 4.77 A): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 121 + HG3 MET 121 OK 100 100 - 100 - 3.0=100 Peak 7016 from cnoeabs.peaks (2.08, 2.63, 31.22 ppm; 3.94 A): 1 out of 1 assignment used, quality = 1.00: * HB3 MET 121 + HG3 MET 121 OK 100 100 - 100 - 3.0=100 Peak 7017 from cnoeabs.peaks (1.92, 2.63, 31.22 ppm; 3.57 A): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 121 + HG3 MET 121 OK 100 100 - 100 - 1.8=100 Peak 7018 from cnoeabs.peaks (2.63, 2.63, 31.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 121 + HG3 MET 121 OK 100 100 - 100 Peak 7019 from cnoeabs.peaks (1.83, 2.63, 31.22 ppm; 4.22 A): 1 out of 1 assignment used, quality = 1.00: * QE MET 121 + HG3 MET 121 OK 100 100 - 100 - 3.4=100 Peak 7020 from cnoeabs.peaks (8.32, 1.83, 16.54 ppm; 4.56 A): 1 out of 2 assignments used, quality = 0.95: * H MET 121 + QE MET 121 OK 95 100 - 95 - 6.0=44, 2.9/7021=40...(12) H GLU 103 - QE MET 121 lone 5 100 - 5 - 7013/3.4=1 Peak 7021 from cnoeabs.peaks (3.93, 1.83, 16.54 ppm; 3.52 A): 1 out of 5 assignments used, quality = 0.78: * HA MET 121 + QE MET 121 OK 78 100 - 78 - 5.4=28, 3.0/7022=23...(9) HA ILE 97 - QE MET 121 lone 1 97 - 1 - 3.2/10114=1 HA MET 67 - QE MET 121 lone 1 70 - 1 - HB2 SER 35 - QE MET 121 lone 1 87 - 1 - HB3 SER 35 - QE MET 121 lone 0 65 - 0 - Peak 7022 from cnoeabs.peaks (2.29, 1.83, 16.54 ppm; 3.73 A): 1 out of 8 assignments used, quality = 0.89: * HB2 MET 121 + QE MET 121 OK 89 100 - 89 - 4.3=67, 1.8/7023=30...(7) HG3 GLU 91 - QE MET 121 lone 2 100 - 2 - HG2 GLU 47 - QE MET 121 lone 2 99 - 2 - HG3 GLU 87 - QE MET 121 lone 2 99 - 2 - HG2 GLU 87 - QE MET 121 lone 2 99 - 2 - HG2 GLU 111 - QE MET 121 lone 2 100 - 2 - HB3 ASN 8 - QE MET 121 lone 1 70 - 1 - HG2 GLU 69 - QE MET 121 lone 1 70 - 1 - Peak 7023 from cnoeabs.peaks (2.08, 1.83, 16.54 ppm; 3.45 A): 1 out of 13 assignments used, quality = 0.83: * HB3 MET 121 + QE MET 121 OK 83 100 - 83 - 4.3=53, 1.8/7022=28...(7) HB3 PHE 79 - QE MET 121 lone 5 100 - 5 - HG2 GLU 119 - QE MET 121 lone 4 100 - 4 - 1796/6.0=2, 8285/11516=1 HB2 GLU 13 - QE MET 121 lone 3 84 - 4 - 4.4/1090=2 HB3 GLU 112 - QE MET 121 lone 3 98 - 3 - 3.0/10585=1 HB2 GLU 112 - QE MET 121 lone 3 97 - 3 - 3.0/10585=1 HB3 GLU 91 - QE MET 121 lone 2 96 - 2 - HB3 GLU 66 - QE MET 121 lone 2 73 - 2 - HB2 GLU 103 - QE MET 121 lone 2 92 - 2 - HB2 GLU 87 - QE MET 121 lone 1 70 - 2 - HB3 GLU 69 - QE MET 121 lone 1 87 - 1 - HB2 LYS 94 - QE MET 121 lone 1 97 - 1 - HB2 GLN 28 - QE MET 121 lone 1 77 - 1 - Peak 7024 from cnoeabs.peaks (1.92, 1.83, 16.54 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 121 + QE MET 121 OK 100 100 - 100 - 3.4=100 Peak 7025 from cnoeabs.peaks (2.63, 1.83, 16.54 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 121 + QE MET 121 OK 100 100 - 100 - 3.4=100 Peak 7026 from cnoeabs.peaks (1.83, 1.83, 16.54 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE MET 121 + QE MET 121 OK 100 100 - 100 Peak 7027 from cnoeabs.peaks (8.05, 4.13, 58.74 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 122 + HA GLN 122 OK 100 100 - 100 - 3.0=100 Peak 7028 from cnoeabs.peaks (4.13, 4.13, 58.74 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA GLN 122 + HA GLN 122 OK 100 100 - 100 Peak 7029 from cnoeabs.peaks (2.24, 4.13, 58.74 ppm; 3.32 A): 2 out of 2 assignments used, quality = 1.00: HB3 GLN 122 + HA GLN 122 OK 100 100 - 100 - 3.0=100 * HB2 GLN 122 + HA GLN 122 OK 100 100 - 100 - 3.0=100 Peak 7030 from cnoeabs.peaks (2.24, 4.13, 58.74 ppm; 3.32 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLN 122 + HA GLN 122 OK 100 100 - 100 - 3.0=100 HB2 GLN 122 + HA GLN 122 OK 100 100 - 100 - 3.0=100 Peak 7031 from cnoeabs.peaks (2.41, 4.13, 58.74 ppm; 3.70 A): 1 out of 9 assignments used, quality = 0.96: * HG2 GLN 122 + HA GLN 122 OK 96 100 - 96 - 3.9=87, 1.8/7060=17...(12) HG3 GLN 85 - HA GLN 122 OK 21 100 - 21 - 1804/3.0=3, 7052=3...(10) HG2 GLN 85 - HA GLN 122 OK 21 100 - 21 - 1804/3.0=3, 7052=3...(10) HG2 GLU 66 - HA GLN 122 OK 16 77 - 21 - 1.8/11069=4, 3.0/8114=3...(9) HG2 GLU 91 - HA GLN 122 lone 8 90 - 9 - 5.2/8308=5, ~771=1, 1804/3.0=1 HG3 GLN 62 - HA GLN 122 lone 6 98 - 6 - 1804/3.0=1 HG2 GLN 62 - HA GLN 122 lone 6 97 - 6 - 1804/3.0=1 HG3 MET 67 - HA GLN 122 lone 5 90 - 6 - 4941/3.6=2, 5.1/2098=2 HB2 ASP 110 - HA GLN 122 lone 1 92 - 1 - Peak 7032 from cnoeabs.peaks (2.52, 4.13, 58.74 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 122 + HA GLN 122 OK 100 100 - 100 - 3.9=100 Peak 7035 from cnoeabs.peaks (8.05, 2.24, 28.02 ppm; 3.44 A): 2 out of 14 assignments used, quality = 0.97: * H GLN 122 + HB2 GLN 122 OK 84 100 - 84 - 4.0=64, 1802/1.8=21...(9) H GLN 122 + HB3 GLN 122 OK 84 100 - 84 - 4.0=64, 1802/1.8=21...(9) H LEU 90 - HB2 GLN 122 lone 3 97 - 3 - 776/4.7=1 H LEU 90 - HB3 GLN 122 lone 3 97 - 3 - 776/4.7=1 H LYS 65 - HB3 GLN 122 lone 3 73 - 3 - 2089/4.7=2 H LYS 65 - HB2 GLN 122 lone 3 73 - 3 - 2089/4.7=2 H THR 9 - HB3 GLN 122 lone 1 92 - 1 - H THR 9 - HB2 GLN 122 lone 1 92 - 1 - H VAL 22 - HB2 GLN 122 lone 1 70 - 1 - H VAL 22 - HB3 GLN 122 lone 1 70 - 1 - H HIS 131 - HB3 GLN 122 lone 1 99 - 1 - H HIS 131 - HB2 GLN 122 lone 1 99 - 1 - H ASP 109 - HB2 GLN 122 lone 1 65 - 1 - H ASP 109 - HB3 GLN 122 lone 1 65 - 1 - Peak 7036 from cnoeabs.peaks (4.13, 2.24, 28.02 ppm; 3.40 A): 2 out of 2 assignments used, quality = 1.00: HA GLN 122 + HB3 GLN 122 OK 100 100 - 100 - 3.0=100 * HA GLN 122 + HB2 GLN 122 OK 100 100 - 100 - 3.0=100 Peak 7037 from cnoeabs.peaks (2.24, 2.24, 28.02 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 GLN 122 + HB3 GLN 122 OK 100 100 - 100 * HB2 GLN 122 + HB2 GLN 122 OK 100 100 - 100 Peak 7038 from cnoeabs.peaks (2.24, 2.24, 28.02 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 GLN 122 + HB3 GLN 122 OK 100 100 - 100 HB2 GLN 122 + HB2 GLN 122 OK 100 100 - 100 Reference assignment not found: HB3 GLN 122 - HB2 GLN 122 Peak 7039 from cnoeabs.peaks (2.41, 2.24, 28.02 ppm; 3.15 A): 2 out of 2 assignments used, quality = 1.00: HG2 GLN 122 + HB3 GLN 122 OK 100 100 - 100 - 3.0=100 * HG2 GLN 122 + HB2 GLN 122 OK 100 100 - 100 - 3.0=100 Peak 7040 from cnoeabs.peaks (2.52, 2.24, 28.02 ppm; 4.00 A): 2 out of 2 assignments used, quality = 1.00: HG3 GLN 122 + HB3 GLN 122 OK 100 100 - 100 - 3.0=100 * HG3 GLN 122 + HB2 GLN 122 OK 100 100 - 100 - 3.0=100 Peak 7043 from cnoeabs.peaks (8.05, 2.24, 28.02 ppm; 3.44 A): 2 out of 14 assignments used, quality = 0.97: H GLN 122 + HB2 GLN 122 OK 84 100 - 84 - 4.0=64, 1802/1.8=21...(9) * H GLN 122 + HB3 GLN 122 OK 84 100 - 84 - 4.0=64, 1802/1.8=21...(9) H LEU 90 - HB2 GLN 122 lone 3 97 - 3 - 776/4.7=1 H LEU 90 - HB3 GLN 122 lone 3 97 - 3 - 776/4.7=1 H LYS 65 - HB3 GLN 122 lone 3 73 - 3 - 2089/4.7=2 H LYS 65 - HB2 GLN 122 lone 3 73 - 3 - 2089/4.7=2 H THR 9 - HB3 GLN 122 lone 1 92 - 1 - H THR 9 - HB2 GLN 122 lone 1 92 - 1 - H VAL 22 - HB2 GLN 122 lone 1 70 - 1 - H VAL 22 - HB3 GLN 122 lone 1 70 - 1 - H HIS 131 - HB3 GLN 122 lone 1 99 - 1 - H HIS 131 - HB2 GLN 122 lone 1 99 - 1 - H ASP 109 - HB2 GLN 122 lone 1 65 - 1 - H ASP 109 - HB3 GLN 122 lone 1 65 - 1 - Peak 7044 from cnoeabs.peaks (4.13, 2.24, 28.02 ppm; 3.40 A): 2 out of 2 assignments used, quality = 1.00: * HA GLN 122 + HB3 GLN 122 OK 100 100 - 100 - 3.0=100 HA GLN 122 + HB2 GLN 122 OK 100 100 - 100 - 3.0=100 Peak 7045 from cnoeabs.peaks (2.24, 2.24, 28.02 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 GLN 122 + HB3 GLN 122 OK 100 100 - 100 HB2 GLN 122 + HB2 GLN 122 OK 100 100 - 100 Reference assignment not found: HB2 GLN 122 - HB3 GLN 122 Peak 7046 from cnoeabs.peaks (2.24, 2.24, 28.02 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 GLN 122 + HB3 GLN 122 OK 100 100 - 100 HB2 GLN 122 + HB2 GLN 122 OK 100 100 - 100 Peak 7047 from cnoeabs.peaks (2.41, 2.24, 28.02 ppm; 3.15 A): 2 out of 2 assignments used, quality = 1.00: * HG2 GLN 122 + HB3 GLN 122 OK 100 100 - 100 - 3.0=100 HG2 GLN 122 + HB2 GLN 122 OK 100 100 - 100 - 3.0=100 Peak 7048 from cnoeabs.peaks (2.52, 2.24, 28.02 ppm; 4.00 A): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 122 + HB3 GLN 122 OK 100 100 - 100 - 3.0=100 HG3 GLN 122 + HB2 GLN 122 OK 100 100 - 100 - 3.0=100 Peak 7051 from cnoeabs.peaks (8.05, 2.41, 33.53 ppm; 3.92 A): 3 out of 35 assignments used, quality = 0.89: * H GLN 122 + HG2 GLN 122 OK 83 100 - 83 - 5.1=45, 1805/1.8=31...(7) H GLN 122 + HG3 GLN 85 OK 20 84 - 24 - 1804=6, 1804/1.8=5...(8) H GLN 122 + HG2 GLN 85 OK 20 84 - 24 - 1804=6, 1804/1.8=5...(8) H LYS 65 - HG3 GLN 62 poor 6 49 - 12 - 2087/3.9=9, 1858/5.2=2 H GLN 122 - HG3 GLN 62 lone 6 76 - 7 - 1804=2, 1804/1.8=1, 3.0/7031=1 H LYS 65 - HG2 GLN 62 poor 6 47 - 12 - 2087/3.9=9, 1858/5.2=2 H GLN 122 - HG2 GLN 62 lone 6 74 - 7 - 1804=2, 1804/1.8=1, 3.0/7031=1 H LEU 90 - HG2 GLN 122 lone 5 97 - 6 - 4.6/1601=2, 7059/1.8=1 H ASP 109 - HG3 GLN 85 lone 4 48 - 8 - 4.0/10356=3, 4.6/1725=2 H ASP 109 - HG2 GLN 85 lone 4 48 - 8 - 4.0/10356=3, 4.6/1725=2 H LYS 65 - HG2 GLN 122 lone 3 73 - 5 - H LYS 65 - HG3 GLN 85 lone 3 55 - 6 - 4.6/1436=1 H LYS 65 - HG2 GLN 85 lone 3 55 - 6 - H LEU 90 - HG2 GLN 85 lone 3 78 - 3 - H LEU 90 - HG3 GLN 85 lone 3 78 - 3 - H THR 9 - HG3 GLN 62 lone 2 65 - 2 - H THR 9 - HG2 GLN 62 lone 2 62 - 2 - H ASP 109 - HG2 GLN 122 lone 1 65 - 2 - H THR 9 - HG2 GLN 122 lone 1 92 - 2 - H VAL 22 - HG2 GLN 122 lone 1 70 - 2 - H HIS 131 - HG2 GLN 122 lone 1 99 - 1 - H LEU 90 - HG3 GLN 62 lone 1 71 - 2 - H LEU 90 - HG2 GLN 62 lone 1 68 - 2 - H THR 9 - HG2 GLN 85 lone 1 72 - 1 - H THR 9 - HG3 GLN 85 lone 1 72 - 1 - H ASP 109 - HG3 GLN 62 lone 1 43 - 2 - H ASP 109 - HG2 GLN 62 lone 1 41 - 2 - H VAL 22 - HG3 GLN 62 lone 1 46 - 1 - H VAL 22 - HG2 GLN 62 lone 1 44 - 1 - H VAL 22 - HG2 GLN 85 lone 1 51 - 1 - H VAL 22 - HG3 GLN 85 lone 1 51 - 1 - H HIS 131 - HG2 GLN 85 lone 0 81 - 1 - H HIS 131 - HG3 GLN 85 lone 0 81 - 1 - H HIS 131 - HG3 GLN 62 lone 0 73 - 0 - H HIS 131 - HG2 GLN 62 lone 0 71 - 0 - Peak 7052 from cnoeabs.peaks (4.13, 2.41, 33.53 ppm; 3.43 A): 3 out of 55 assignments used, quality = 0.95: * HA GLN 122 + HG2 GLN 122 OK 90 100 - 90 - 3.9=70, 7060/1.8=15...(12) HA LEU 63 + HG3 GLN 62 OK 31 76 - 41 - 11045/3.0=4, 11045/3.0=4...(13) HA LEU 63 + HG2 GLN 62 OK 30 73 - 41 - 11045/3.0=4, 11045/3.0=4...(13) HA LEU 63 - HG3 GLN 85 OK 18 84 - 22 - 8111/3.0=3, 11046=2...(9) HA LEU 63 - HG2 GLN 85 OK 18 84 - 22 - 8111/3.0=3, 11046/1.8=2...(9) HA GLN 122 - HG3 GLN 85 OK 17 84 - 21 - 7031=5, 7031/1.8=4...(7) HA GLN 122 - HG2 GLN 85 OK 17 84 - 21 - 7031=5, 7031/1.8=4...(7) HA GLN 122 - HG3 GLN 62 lone 5 76 - 6 - 7031=1, 7031/1.8=1 HA GLN 122 - HG2 GLN 62 lone 4 74 - 6 - 7031=1, 7031/1.8=1 HA LEU 63 - HG2 GLN 122 lone 3 100 - 3 - HA GLU 89 - HG2 GLN 85 lone 2 67 - 3 - HA GLU 89 - HG3 GLN 85 lone 2 67 - 3 - HA GLU 89 - HG2 GLN 122 lone 2 87 - 2 - HA ALA 124 - HG2 GLN 122 lone 2 94 - 2 - HA ALA 124 - HG3 GLN 85 lone 1 74 - 2 - HA ALA 124 - HG2 GLN 85 lone 1 74 - 2 - HA ARG 95 - HG3 GLN 85 lone 1 58 - 2 - 8219/3.0=1 HA ARG 95 - HG2 GLN 85 lone 1 58 - 2 - 8219/3.0=1 HA VAL 22 - HG2 GLN 122 lone 1 100 - 1 - HA VAL 22 - HG3 GLN 85 lone 1 83 - 1 - HA VAL 22 - HG2 GLN 85 lone 1 83 - 1 - HB3 SER 72 - HG2 GLN 122 lone 1 84 - 1 - HB2 SER 72 - HG2 GLN 122 lone 1 84 - 1 - HA ALA 124 - HG3 GLN 62 lone 1 67 - 1 - HA ALA 124 - HG2 GLN 62 lone 1 64 - 1 - HA ARG 95 - HG2 GLN 122 lone 0 77 - 1 - HA GLU 89 - HG3 GLN 62 lone 0 60 - 1 - HA LEU 45 - HG2 GLN 122 lone 0 84 - 1 - HA LEU 45 - HG3 GLN 85 lone 0 64 - 1 - HA LEU 45 - HG2 GLN 85 lone 0 64 - 1 - HA GLU 89 - HG2 GLN 62 lone 0 57 - 1 - HA3 GLY 26 - HG2 GLN 122 lone 0 94 - 0 - HB3 SER 72 - HG3 GLN 85 lone 0 64 - 1 - HB2 SER 72 - HG3 GLN 85 lone 0 64 - 1 - HA VAL 22 - HG3 GLN 62 lone 0 75 - 0 - HB2 SER 72 - HG2 GLN 85 lone 0 64 - 1 - HB3 SER 72 - HG2 GLN 85 lone 0 64 - 1 - HA VAL 22 - HG2 GLN 62 lone 0 73 - 0 - HA ARG 95 - HG3 GLN 62 lone 0 52 - 1 - HA MET 1 - HG2 GLN 122 lone 0 70 - 0 - HA ARG 95 - HG2 GLN 62 lone 0 49 - 1 - HA MET 1 - HG3 GLN 85 lone 0 51 - 1 - HA3 GLY 26 - HG3 GLN 85 lone 0 74 - 0 - HA MET 1 - HG2 GLN 85 lone 0 51 - 1 - HA3 GLY 26 - HG2 GLN 85 lone 0 74 - 0 - HA LEU 45 - HG3 GLN 62 lone 0 57 - 0 - HA LEU 45 - HG2 GLN 62 lone 0 55 - 0 - HB2 SER 72 - HG3 GLN 62 lone 0 57 - 0 - HB3 SER 72 - HG3 GLN 62 lone 0 57 - 0 - HA3 GLY 26 - HG3 GLN 62 lone 0 67 - 0 - HB3 SER 72 - HG2 GLN 62 lone 0 55 - 0 - HB2 SER 72 - HG2 GLN 62 lone 0 55 - 0 - HA3 GLY 26 - HG2 GLN 62 lone 0 64 - 0 - HA MET 1 - HG3 GLN 62 lone 0 46 - 0 - HA MET 1 - HG2 GLN 62 lone 0 44 - 0 - Peak 7053 from cnoeabs.peaks (2.24, 2.41, 33.53 ppm; 2.76 A): 2 out of 20 assignments used, quality = 0.97: * HB2 GLN 122 + HG2 GLN 122 OK 82 100 - 82 - 3.0=78, 3.0/7031=8...(5) HB3 GLN 122 + HG2 GLN 122 OK 82 100 - 82 - 3.0=78, 3.0/7031=8...(5) HB2 GLN 122 - HG3 GLN 85 lone 5 84 - 6 - 3.0/7031=2, 4.0/1804=1 HB3 GLN 122 - HG3 GLN 85 lone 5 84 - 6 - 3.0/7031=2, 4.0/1804=1 HB2 GLN 122 - HG2 GLN 85 lone 5 84 - 6 - 3.0/7031=2, 4.0/1804=1 HB3 GLN 122 - HG2 GLN 85 lone 5 84 - 6 - 3.0/7031=2, 4.0/1804=1 HB3 GLN 122 - HG3 GLN 62 lone 1 76 - 2 - HB2 GLN 122 - HG3 GLN 62 lone 1 76 - 2 - HB2 GLN 122 - HG2 GLN 62 lone 1 74 - 2 - HB3 GLN 122 - HG2 GLN 62 lone 1 74 - 2 - HG2 GLN 28 - HG2 GLN 122 lone 0 100 - 0 - HG2 GLU 103 - HG2 GLN 122 lone 0 77 - 0 - HG2 GLN 28 - HG3 GLN 85 lone 0 83 - 0 - HG2 GLN 28 - HG2 GLN 85 lone 0 83 - 0 - HG2 GLN 28 - HG3 GLN 62 lone 0 76 - 0 - HG2 GLN 28 - HG2 GLN 62 lone 0 73 - 0 - HG2 GLU 103 - HG3 GLN 85 lone 0 58 - 0 - HG2 GLU 103 - HG2 GLN 85 lone 0 58 - 0 - HG2 GLU 103 - HG3 GLN 62 lone 0 52 - 0 - HG2 GLU 103 - HG2 GLN 62 lone 0 49 - 0 - Peak 7054 from cnoeabs.peaks (2.24, 2.41, 33.53 ppm; 2.76 A): 2 out of 20 assignments used, quality = 0.97: HB2 GLN 122 + HG2 GLN 122 OK 82 100 - 82 - 3.0=78, 3.0/7031=8...(5) * HB3 GLN 122 + HG2 GLN 122 OK 82 100 - 82 - 3.0=78, 3.0/7031=8...(5) HB2 GLN 122 - HG3 GLN 85 lone 5 84 - 6 - 3.0/7031=2, 4.0/1804=1 HB3 GLN 122 - HG3 GLN 85 lone 5 84 - 6 - 3.0/7031=2, 4.0/1804=1 HB2 GLN 122 - HG2 GLN 85 lone 5 84 - 6 - 3.0/7031=2, 4.0/1804=1 HB3 GLN 122 - HG2 GLN 85 lone 5 84 - 6 - 3.0/7031=2, 4.0/1804=1 HB3 GLN 122 - HG3 GLN 62 lone 1 76 - 2 - HB2 GLN 122 - HG3 GLN 62 lone 1 76 - 2 - HB2 GLN 122 - HG2 GLN 62 lone 1 74 - 2 - HB3 GLN 122 - HG2 GLN 62 lone 1 74 - 2 - HG2 GLN 28 - HG2 GLN 122 lone 0 100 - 0 - HG2 GLU 103 - HG2 GLN 122 lone 0 77 - 0 - HG2 GLN 28 - HG3 GLN 85 lone 0 83 - 0 - HG2 GLN 28 - HG2 GLN 85 lone 0 83 - 0 - HG2 GLN 28 - HG3 GLN 62 lone 0 76 - 0 - HG2 GLN 28 - HG2 GLN 62 lone 0 73 - 0 - HG2 GLU 103 - HG3 GLN 85 lone 0 58 - 0 - HG2 GLU 103 - HG2 GLN 85 lone 0 58 - 0 - HG2 GLU 103 - HG3 GLN 62 lone 0 52 - 0 - HG2 GLU 103 - HG2 GLN 62 lone 0 49 - 0 - Peak 7055 from cnoeabs.peaks (2.41, 2.41, 33.53 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HG2 GLN 122 + HG2 GLN 122 OK 100 100 - 100 HG2 GLN 85 + HG2 GLN 85 OK 84 84 - 100 HG3 GLN 85 + HG3 GLN 85 OK 84 84 - 100 HG3 GLN 62 + HG3 GLN 62 OK 72 72 - 100 HG2 GLN 62 + HG2 GLN 62 OK 68 68 - 100 Peak 7056 from cnoeabs.peaks (2.52, 2.41, 33.53 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG3 GLN 122 + HG2 GLN 122 OK 100 100 - 100 - 1.8=100 Peak 7057 from cnoeabs.peaks (7.47, 2.41, 33.53 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 122 + HG2 GLN 122 OK 100 100 - 100 - 3.5=100 Peak 7058 from cnoeabs.peaks (6.83, 2.41, 33.53 ppm; 5.24 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 122 + HG2 GLN 122 OK 100 100 - 100 - 3.5=100 Peak 7059 from cnoeabs.peaks (8.05, 2.52, 33.53 ppm; 3.98 A): 2 out of 14 assignments used, quality = 0.86: * H GLN 122 + HG3 GLN 122 OK 83 100 - 83 - 5.1=47, 1802/3.0=19...(10) H GLN 122 + HG3 GLN 25 OK 16 92 - 17 - 1805=8, 7929/10597=5...(5) H VAL 22 - HG3 GLN 25 poor 6 59 - 10 - 3.0/10863=3, ~11521=2...(5) H LEU 90 - HG3 GLN 122 lone 4 97 - 4 - 7051/1.8=1 H LYS 65 - HG3 GLN 122 lone 3 73 - 4 - H VAL 22 - HG3 GLN 122 lone 1 70 - 2 - H THR 9 - HG3 GLN 122 lone 1 92 - 1 - H HIS 131 - HG3 GLN 122 lone 1 99 - 1 - H LEU 90 - HG3 GLN 25 lone 1 87 - 1 - H ASP 109 - HG3 GLN 122 lone 1 65 - 1 - H THR 9 - HG3 GLN 25 lone 1 81 - 1 - H LYS 65 - HG3 GLN 25 lone 1 63 - 1 - H HIS 131 - HG3 GLN 25 lone 1 90 - 1 - H ASP 109 - HG3 GLN 25 lone 0 55 - 1 - Peak 7060 from cnoeabs.peaks (4.13, 2.52, 33.53 ppm; 3.63 A): 2 out of 22 assignments used, quality = 0.96: * HA GLN 122 + HG3 GLN 122 OK 94 100 - 94 - 3.9=83, 3.0/1805=21...(12) HB2 SER 72 + HG3 GLN 25 OK 38 72 - 53 - 11450/3.0=10...(11) HB3 SER 72 - HG3 GLN 25 OK 38 72 - 53 - 11450/3.0=10...(11) HA VAL 22 - HG3 GLN 25 OK 16 91 - 17 - 10853/3.5=4, 11450/3.0=3...(7) HA GLN 122 - HG3 GLN 25 lone 8 92 - 8 - 3.0/1805=4, 3.6/781=2 HA LEU 63 - HG3 GLN 122 lone 2 100 - 2 - HA GLU 89 - HG3 GLN 122 lone 2 87 - 2 - HA ALA 124 - HG3 GLN 122 lone 2 94 - 2 - HA VAL 22 - HG3 GLN 122 lone 2 100 - 2 - HB3 SER 72 - HG3 GLN 122 lone 1 84 - 1 - HB2 SER 72 - HG3 GLN 122 lone 1 84 - 1 - HA LEU 63 - HG3 GLN 25 lone 1 92 - 1 - HA GLU 89 - HG3 GLN 25 lone 1 75 - 1 - HA3 GLY 26 - HG3 GLN 25 lone 1 83 - 1 - HA3 GLY 26 - HG3 GLN 122 lone 0 94 - 0 - HA LEU 45 - HG3 GLN 122 lone 0 84 - 0 - HA ARG 95 - HG3 GLN 122 lone 0 77 - 1 - HA MET 1 - HG3 GLN 25 lone 0 59 - 1 - HA ALA 124 - HG3 GLN 25 lone 0 83 - 0 - HA MET 1 - HG3 GLN 122 lone 0 70 - 0 - HA LEU 45 - HG3 GLN 25 lone 0 72 - 0 - HA ARG 95 - HG3 GLN 25 lone 0 66 - 0 - Peak 7061 from cnoeabs.peaks (2.24, 2.52, 33.53 ppm; 3.09 A): 2 out of 2 assignments used, quality = 1.00: HB3 GLN 122 + HG3 GLN 122 OK 100 100 - 100 - 3.0=100 * HB2 GLN 122 + HG3 GLN 122 OK 100 100 - 100 - 3.0=100 Peak 7062 from cnoeabs.peaks (2.24, 2.52, 33.53 ppm; 3.09 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLN 122 + HG3 GLN 122 OK 100 100 - 100 - 3.0=100 HB2 GLN 122 + HG3 GLN 122 OK 100 100 - 100 - 3.0=100 Peak 7063 from cnoeabs.peaks (2.41, 2.52, 33.53 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HG2 GLN 122 + HG3 GLN 122 OK 100 100 - 100 - 1.8=100 Peak 7064 from cnoeabs.peaks (2.52, 2.52, 33.53 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLN 122 + HG3 GLN 122 OK 100 100 - 100 HG3 GLN 25 + HG3 GLN 25 OK 91 91 - 100 Peak 7065 from cnoeabs.peaks (7.47, 2.52, 33.53 ppm; 5.23 A): 1 out of 1 assignment used, quality = 1.00: * HE21 GLN 122 + HG3 GLN 122 OK 100 100 - 100 - 3.5=100 Peak 7066 from cnoeabs.peaks (6.83, 2.52, 33.53 ppm; 5.14 A): 1 out of 1 assignment used, quality = 1.00: * HE22 GLN 122 + HG3 GLN 122 OK 100 100 - 100 - 3.5=100 Peak 7067 from cnoeabs.peaks (8.40, 4.03, 59.24 ppm; 4.68 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 123 + HA LYS 123 OK 100 100 - 100 - 3.0=100 H MET 67 + HA GLU 66 OK 91 91 - 100 - 3.6=100 Peak 7068 from cnoeabs.peaks (4.03, 4.03, 59.24 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HA LYS 123 + HA LYS 123 OK 100 100 - 100 HA GLU 66 + HA GLU 66 OK 95 95 - 100 HA GLU 92 + HA GLU 92 OK 88 88 - 100 HA GLU 13 + HA GLU 13 OK 74 74 - 100 HA GLU 119 + HA GLU 119 OK 60 60 - 100 Peak 7069 from cnoeabs.peaks (1.93, 4.03, 59.24 ppm; 2.79 A): 1 out of 100 assignments used, quality = 0.95: * HB2 LYS 123 + HA LYS 123 OK 95 100 - 95 - 2.9=88, 1.8/7088=14...(18) HB2 LYS 65 - HA GLU 66 OK 36 95 - 38 - 7624/2.9=7, ~7626=5...(13) HB3 LYS 65 - HA GLU 66 OK 36 95 - 38 - 7624/2.9=7, ~7626=5...(13) HB3 LYS 115 - HA GLU 66 OK 10 95 - 11 - 400/2.9=2, ~7625=1...(4) HB2 LYS 115 - HA GLU 66 poor 10 91 - 11 - 400/2.9=2, ~7625=1...(4) HB2 LYS 65 - HA LYS 123 lone 9 100 - 9 - 1810/3.0=1, 7078=1 HB3 LYS 65 - HA LYS 123 lone 9 100 - 9 - 1810/3.0=1 HB2 LYS 39 - HA LYS 123 lone 7 100 - 7 - HB3 LYS 115 - HA LYS 123 lone 6 100 - 6 - HB3 LYS 17 - HA GLU 13 poor 6 58 - 10 - 9162/3.6=4, 4.0/1989=3 HB2 LYS 115 - HA LYS 123 lone 6 98 - 6 - HB2 LYS 123 - HA GLU 66 lone 6 95 - 6 - 1.8/7088=1 HB2 LEU 127 - HA LYS 123 lone 5 100 - 5 - 786/3.6=3 HB3 LYS 39 - HA LYS 123 lone 5 81 - 6 - HB3 LYS 115 - HA GLU 119 lone 5 60 - 8 - ~8266=4, ~2217=2 HB2 LEU 70 - HA LYS 123 lone 4 96 - 5 - HB2 LYS 115 - HA GLU 119 lone 4 56 - 8 - ~8266=4, ~2217=2 HG2 MET 121 - HA LYS 123 lone 4 70 - 5 - 1810/3.0=1 HB3 LYS 17 - HA LYS 123 lone 2 87 - 3 - HB3 LYS 40 - HA LYS 123 lone 2 90 - 2 - HB ILE 15 - HA GLU 13 lone 2 38 - 6 - 7979/4.8=2, ~10766=1, 4.5/1983=1 HB2 LEU 127 - HA GLU 92 lone 1 93 - 2 - HB2 LEU 81 - HA GLU 66 lone 1 69 - 2 - HB3 MET 42 - HA GLU 66 lone 1 65 - 2 - HG2 MET 121 - HA GLU 13 lone 1 44 - 3 - 9162/3.6=1 HB2 LYS 39 - HA GLU 66 lone 1 95 - 1 - HB VAL 104 - HA GLU 66 lone 1 78 - 1 - HB ILE 15 - HA LYS 123 lone 1 61 - 2 - HB3 LYS 115 - HA GLU 13 lone 1 74 - 1 - HB3 LYS 40 - HA GLU 119 lone 1 48 - 2 - HB2 LYS 65 - HA GLU 119 lone 1 60 - 2 - HB3 LYS 65 - HA GLU 119 lone 1 60 - 2 - HB3 LYS 40 - HA GLU 13 lone 1 60 - 2 - HB2 LYS 123 - HA GLU 92 lone 1 93 - 1 - HB2 LYS 123 - HA GLU 13 lone 1 74 - 1 - HB2 LYS 115 - HA GLU 13 lone 1 70 - 1 - HB3 MET 42 - HA LYS 123 lone 1 73 - 1 - HB3 LYS 39 - HA GLU 66 lone 1 72 - 1 - HB3 LYS 40 - HA GLU 66 lone 1 81 - 1 - HB2 LYS 39 - HA GLU 13 lone 1 74 - 1 - HB2 LEU 81 - HA GLU 119 lone 1 39 - 2 - HB2 LYS 123 - HA GLU 119 lone 1 60 - 1 - HB3 GLU 41 - HA LYS 123 lone 1 77 - 1 - HB2 LEU 81 - HA LYS 123 lone 1 77 - 1 - HB3 GLU 41 - HA GLU 66 lone 1 69 - 1 - HB2 GLU 41 - HA LYS 123 lone 1 73 - 1 - HB2 GLU 41 - HA GLU 66 lone 1 65 - 1 - HG2 MET 121 - HA GLU 119 lone 1 35 - 2 - HB3 MET 42 - HA GLU 119 lone 1 37 - 2 - HB2 LEU 70 - HA GLU 92 lone 1 86 - 1 - HB3 LYS 17 - HA GLU 66 lone 1 78 - 1 - HB VAL 104 - HA LYS 123 lone 1 87 - 1 - HB3 LYS 17 - HA GLU 92 lone 1 76 - 1 - HG2 MET 121 - HA GLU 66 lone 1 62 - 1 - HB3 LYS 65 - HA GLU 13 lone 1 74 - 1 - HB2 LYS 65 - HA GLU 13 lone 1 74 - 1 - HB2 LEU 127 - HA GLU 66 lone 0 95 - 1 - HB3 LYS 40 - HA GLU 92 lone 0 79 - 1 - HB3 LYS 39 - HA GLU 13 lone 0 52 - 1 - HB2 LEU 127 - HA GLU 13 lone 0 74 - 1 - HB ILE 15 - HA GLU 66 lone 0 54 - 1 - HB2 LEU 81 - HA GLU 92 lone 0 67 - 1 - HB2 LEU 70 - HA GLU 66 lone 0 88 - 0 - HB3 GLU 41 - HA GLU 119 lone 0 39 - 1 - HB VAL 104 - HA GLU 13 lone 0 58 - 1 - HB2 GLU 41 - HA GLU 119 lone 0 37 - 1 - HB ILE 15 - HA GLU 119 lone 0 30 - 1 - HB3 LYS 17 - HA GLU 119 lone 0 46 - 1 - HB3 MET 42 - HA GLU 13 lone 0 47 - 1 - HB2 LYS 65 - HA GLU 92 lone 0 93 - 0 - HB3 LYS 65 - HA GLU 92 lone 0 93 - 0 - HB3 MET 42 - HA GLU 92 lone 0 63 - 1 - HB3 LYS 115 - HA GLU 92 lone 0 93 - 0 - HB2 LYS 39 - HA GLU 92 lone 0 93 - 0 - HB2 LYS 115 - HA GLU 92 lone 0 89 - 0 - HB VAL 29 - HA LYS 123 lone 0 61 - 1 - HB ILE 15 - HA GLU 92 lone 0 52 - 1 - HB3 GLU 41 - HA GLU 13 lone 0 50 - 1 - HB VAL 29 - HA GLU 66 lone 0 54 - 0 - HB2 GLU 41 - HA GLU 13 lone 0 47 - 1 - HB2 LEU 127 - HA GLU 119 lone 0 60 - 0 - HB3 GLU 52 - HA LYS 123 lone 0 65 - 0 - HB3 GLU 52 - HA GLU 66 lone 0 58 - 0 - HB2 LEU 70 - HA GLU 13 lone 0 66 - 0 - HB3 GLU 41 - HA GLU 92 lone 0 67 - 0 - HB2 LEU 81 - HA GLU 13 lone 0 50 - 0 - HB2 LYS 39 - HA GLU 119 lone 0 60 - 0 - HG2 MET 121 - HA GLU 92 lone 0 60 - 0 - HB3 LYS 39 - HA GLU 92 lone 0 70 - 0 - HB2 GLU 41 - HA GLU 92 lone 0 63 - 0 - HB VAL 104 - HA GLU 92 lone 0 76 - 0 - HB3 GLU 52 - HA GLU 92 lone 0 56 - 0 - HB3 GLU 52 - HA GLU 13 lone 0 41 - 0 - HB3 LYS 39 - HA GLU 119 lone 0 42 - 0 - HB2 LEU 70 - HA GLU 119 lone 0 53 - 0 - HB VAL 29 - HA GLU 92 lone 0 52 - 0 - HB VAL 104 - HA GLU 119 lone 0 46 - 0 - HB VAL 29 - HA GLU 13 lone 0 38 - 0 - HB3 GLU 52 - HA GLU 119 lone 0 32 - 0 - HB VAL 29 - HA GLU 119 lone 0 30 - 0 - Peak 7070 from cnoeabs.peaks (1.91, 4.03, 59.24 ppm; 2.88 A): 1 out of 95 assignments used, quality = 0.99: * HB3 LYS 123 + HA LYS 123 OK 99 100 - 99 - 2.9=97, 1811/3.0=8...(21) HB3 LYS 65 - HA GLU 66 OK 20 54 - 36 - ~7626=5, 401/2.9=5...(13) HB2 LYS 44 - HA LYS 123 OK 14 100 - 14 - 8065=3, 1.8/8065=2...(5) HB3 LYS 44 - HA LYS 123 OK 13 96 - 14 - 8065=3, 1.8/8065=2...(5) HB2 ARG 95 - HA GLU 92 OK 12 60 - 21 - 1.8/8203=4, 3.9/8199=4...(11) HB2 ARG 95 - HA GLU 66 poor 10 62 - 16 - 1.8/8203=4, 3.9/2159=2...(5) HB2 LYS 115 - HA GLU 66 poor 8 72 - 11 - 8300=1, ~7625=1, ~402=1 HB3 LYS 123 - HA GLU 66 lone 7 95 - 7 - 7088=2 HG2 MET 121 - HA LYS 123 lone 7 100 - 7 - 1811/3.0=2, ~1814=1, 787/3.6=1 HB3 LYS 17 - HA GLU 13 lone 6 66 - 10 - 4.0/1989=3, 7979/4.8=3 HB2 GLU 128 - HA GLU 92 lone 6 73 - 8 - 3.0/10881=1, 3.0/10881=1...(4) HB2 LYS 43 - HA LYS 123 lone 5 97 - 5 - 8065=1 HB ILE 15 - HA GLU 13 lone 5 74 - 7 - 7979/4.8=2, ~10766=2, 4.5/1983=1 HB2 LYS 115 - HA LYS 123 lone 4 81 - 5 - HB3 LYS 43 - HA LYS 123 lone 4 84 - 5 - 8065=1 HB2 LYS 96 - HA LYS 123 lone 4 84 - 5 - 8065=1 HB3 LYS 65 - HA LYS 123 lone 4 61 - 7 - HB2 LYS 115 - HA GLU 119 lone 3 42 - 8 - ~8266=5, ~2217=2, 7088=1 HB3 LYS 17 - HA LYS 123 lone 3 96 - 3 - 4.0/1989=1 HB2 ARG 95 - HA LYS 123 lone 3 70 - 4 - HB ILE 71 - HA LYS 123 lone 3 65 - 4 - 5076/3.6=1 HB2 LEU 127 - HA LYS 123 lone 3 61 - 4 - 786/3.6=2 HB2 LEU 45 - HA LYS 123 lone 2 92 - 3 - HB ILE 15 - HA LYS 123 lone 2 100 - 2 - HB2 GLU 128 - HA GLU 66 lone 2 75 - 3 - HB2 LYS 49 - HA LYS 123 lone 2 77 - 3 - HB2 LYS 43 - HA GLU 119 lone 2 55 - 4 - 4.0/2055=1, 8065=1 HG2 MET 121 - HA GLU 13 lone 2 73 - 3 - HB2 LEU 81 - HA GLU 66 lone 2 92 - 2 - HB2 LYS 43 - HA GLU 66 lone 2 90 - 2 - HB2 LEU 45 - HA GLU 66 lone 2 84 - 2 - HB2 GLU 128 - HA LYS 123 lone 2 84 - 2 - HB3 LYS 43 - HA GLU 119 lone 2 44 - 4 - 4.0/2055=1, 8065=1 HB2 LYS 44 - HA GLU 66 lone 2 94 - 2 - HB3 LYS 43 - HA GLU 66 lone 2 75 - 2 - HB2 LEU 45 - HA GLU 92 lone 2 82 - 2 - HB3 LYS 44 - HA GLU 66 lone 2 88 - 2 - HB2 LYS 44 - HA GLU 92 lone 1 92 - 1 - HB2 LEU 81 - HA GLU 119 lone 1 57 - 2 - HB3 LYS 123 - HA GLU 92 lone 1 93 - 1 - HB2 LEU 81 - HA LYS 123 lone 1 99 - 1 - HG2 MET 121 - HA GLU 119 lone 1 59 - 2 - ~1783=1 HB3 LYS 44 - HA GLU 92 lone 1 86 - 1 - HB2 LYS 96 - HA GLU 66 lone 1 75 - 2 - HB2 ARG 95 - HA GLU 13 lone 1 44 - 3 - HB2 LYS 43 - HA GLU 92 lone 1 88 - 1 - HB2 LYS 73 - HA LYS 123 lone 1 61 - 2 - HB2 LYS 96 - HA GLU 92 lone 1 73 - 1 - HG2 MET 121 - HA GLU 66 lone 1 94 - 1 - HB ILE 15 - HA GLU 66 lone 1 95 - 1 - HB3 LYS 123 - HA GLU 13 lone 1 74 - 1 - HB2 LEU 127 - HA GLU 92 lone 1 52 - 2 - HB3 LYS 123 - HA GLU 119 lone 1 60 - 2 - HB ILE 15 - HA GLU 119 lone 1 60 - 1 - HB3 LYS 43 - HA GLU 92 lone 1 73 - 1 - HB2 ARG 95 - HA GLU 119 lone 1 35 - 2 - HB2 LYS 115 - HA GLU 13 lone 1 52 - 1 - HB2 LEU 81 - HA GLU 92 lone 1 90 - 1 - HB3 LYS 17 - HA GLU 66 lone 1 88 - 1 - HB2 LYS 43 - HA GLU 13 lone 1 68 - 1 - HB ILE 15 - HA GLU 92 lone 1 93 - 1 - HB3 LYS 17 - HA GLU 92 lone 1 86 - 1 - HB2 LEU 45 - HA GLU 119 lone 1 50 - 1 - HB2 LYS 44 - HA GLU 13 lone 1 73 - 1 - HB2 LEU 45 - HA GLU 13 lone 1 62 - 1 - HB2 LYS 44 - HA GLU 119 lone 1 59 - 1 - HB3 LYS 44 - HA GLU 13 lone 1 66 - 1 - HB3 LYS 17 - HA GLU 119 lone 1 53 - 1 - HB3 LYS 65 - HA GLU 119 lone 1 30 - 2 - HB3 LYS 43 - HA GLU 13 lone 0 55 - 1 - HB3 LYS 44 - HA GLU 119 lone 0 53 - 1 - HG2 MET 121 - HA GLU 92 lone 0 92 - 0 - HB2 LYS 73 - HA GLU 66 lone 0 54 - 1 - HB ILE 71 - HA GLU 66 lone 0 58 - 1 - HB2 LEU 81 - HA GLU 13 lone 0 71 - 0 - HB2 LEU 127 - HA GLU 66 lone 0 54 - 1 - HB2 GLU 128 - HA GLU 13 lone 0 55 - 0 - HB2 LYS 115 - HA GLU 92 lone 0 70 - 0 - HB2 LYS 73 - HA GLU 92 lone 0 52 - 1 - HB2 LYS 73 - HA GLU 13 lone 0 38 - 1 - HB2 LYS 49 - HA GLU 66 lone 0 69 - 0 - HB2 LYS 96 - HA GLU 13 lone 0 55 - 0 - HB3 LYS 65 - HA GLU 13 lone 0 38 - 1 - HB2 LEU 127 - HA GLU 13 lone 0 38 - 1 - HB2 GLU 128 - HA GLU 119 lone 0 44 - 0 - HB2 LYS 73 - HA GLU 119 lone 0 30 - 1 - HB2 LYS 49 - HA GLU 92 lone 0 67 - 0 - HB ILE 71 - HA GLU 92 lone 0 56 - 0 - HB2 LYS 96 - HA GLU 119 lone 0 44 - 0 - HB3 LYS 65 - HA GLU 92 lone 0 52 - 0 - HB2 LYS 49 - HA GLU 13 lone 0 50 - 0 - HB2 LEU 127 - HA GLU 119 lone 0 30 - 0 - HB ILE 71 - HA GLU 13 lone 0 41 - 0 - HB2 LYS 49 - HA GLU 119 lone 0 39 - 0 - HB ILE 71 - HA GLU 119 lone 0 32 - 0 - Peak 7071 from cnoeabs.peaks (1.57, 4.03, 59.24 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 123 + HA LYS 123 OK 100 100 - 100 - 3.9=100 Peak 7072 from cnoeabs.peaks (1.70, 4.03, 59.24 ppm; 3.34 A): 1 out of 120 assignments used, quality = 0.93: * HG3 LYS 123 + HA LYS 123 OK 93 100 - 93 - 3.9=64, 2.9/7073=15...(30) HD2 LYS 44 - HA LYS 123 OK 16 100 - 16 - 1813/3.0=2, 3.7/8065=1...(5) HD3 LYS 44 - HA LYS 123 OK 16 99 - 16 - 1813/3.0=2, 3.7/8065=1...(4) HD3 LYS 16 - HA GLU 13 OK 11 62 - 17 - 9161/3.6=4, 2.9/11425=3...(7) HD3 LYS 39 - HA LYS 123 poor 10 98 - 10 - 1813/3.0=1, 7122/4.6=1 HD2 LYS 39 - HA LYS 123 poor 10 97 - 10 - 1813/3.0=1 HG3 LYS 39 - HA LYS 123 lone 9 100 - 9 - 7114/4.6=2, 1813/3.0=1 HD2 LYS 16 - HA GLU 13 poor 9 55 - 17 - 2.9/11425=3, 9161/3.6=3...(8) HD3 LYS 16 - HA LYS 123 lone 9 92 - 10 - 2.9/11425=1, 2.9/11424=1 HD2 LYS 16 - HA LYS 123 lone 8 84 - 10 - 2.9/11425=1, 2.9/11424=1 HG3 LYS 123 - HA GLU 66 lone 8 95 - 8 - 7107/3.6=2, 2.9/7128=1 HG12 ILE 71 - HA LYS 123 lone 4 99 - 4 - HD3 LYS 96 - HA LYS 123 lone 4 73 - 6 - 3.4/8202=1 HD2 LYS 17 - HA GLU 13 poor 4 41 - 10 - 2860/3.6=4, 2861/4.8=2 HD2 LYS 96 - HA LYS 123 lone 4 65 - 6 - 3.4/8202=1 HD3 LYS 43 - HA LYS 123 lone 3 77 - 4 - HD3 LYS 16 - HA GLU 66 lone 3 84 - 3 - HD2 LYS 17 - HA LYS 123 lone 3 65 - 4 - HD3 LYS 16 - HA GLU 119 lone 3 50 - 5 - 2.9/11425=1, 2.9/11424=1 HD2 LYS 16 - HA GLU 66 lone 3 75 - 3 - HD2 LYS 40 - HA LYS 123 lone 2 70 - 3 - HD2 LYS 16 - HA GLU 119 lone 2 44 - 5 - 2.9/11425=1, 2.9/11424=1 HD3 LYS 40 - HA LYS 123 lone 2 65 - 3 - HD3 LYS 16 - HA GLU 92 lone 2 82 - 2 - HD2 LYS 20 - HA LYS 123 lone 2 90 - 2 - HD3 LYS 20 - HA LYS 123 lone 2 87 - 2 - HD2 LYS 16 - HA GLU 92 lone 2 73 - 2 - HD2 LYS 73 - HA LYS 123 lone 1 81 - 2 - HG LEU 74 - HA LYS 123 lone 1 99 - 1 - HD2 LYS 20 - HA GLU 13 lone 1 60 - 2 - 9161/3.6=1 HG12 ILE 71 - HA GLU 66 lone 1 92 - 1 - HD3 LYS 73 - HA LYS 123 lone 1 77 - 2 - HB ILE 54 - HA GLU 13 lone 1 44 - 3 - ~10909=2 HD3 LYS 20 - HA GLU 13 lone 1 58 - 2 - HD3 LYS 96 - HA GLU 66 lone 1 65 - 2 - HG3 LYS 39 - HA GLU 66 lone 1 95 - 1 - HD2 LYS 40 - HA GLU 13 lone 1 44 - 3 - HD3 LYS 43 - HA GLU 119 lone 1 39 - 3 - HG3 LYS 123 - HA GLU 13 lone 1 74 - 1 - HG3 LYS 123 - HA GLU 92 lone 1 93 - 1 - HD3 LYS 43 - HA GLU 66 lone 1 69 - 2 - HD3 LYS 40 - HA GLU 13 lone 1 41 - 3 - HD2 LYS 96 - HA GLU 66 lone 1 58 - 2 - HD2 LYS 40 - HA GLU 119 lone 1 35 - 3 - HD3 LYS 40 - HA GLU 119 lone 1 32 - 3 - HD2 LYS 44 - HA GLU 66 lone 1 95 - 1 - HD3 LYS 96 - HA GLU 92 lone 1 63 - 1 - HD3 LYS 44 - HA GLU 66 lone 1 93 - 1 - HG3 LYS 123 - HA GLU 119 lone 1 60 - 2 - HG LEU 74 - HA GLU 13 lone 1 71 - 1 - HG3 LYS 39 - HA GLU 13 lone 1 74 - 1 - HD2 LYS 40 - HA GLU 66 lone 1 62 - 1 - HD2 LYS 44 - HA GLU 92 lone 1 93 - 1 - HD3 LYS 40 - HA GLU 66 lone 1 58 - 1 - HD2 LYS 96 - HA GLU 92 lone 1 56 - 1 - HD3 LYS 44 - HA GLU 92 lone 1 92 - 1 - HD3 LYS 39 - HA GLU 13 lone 1 70 - 1 - HD2 LYS 39 - HA GLU 13 lone 1 68 - 1 - HD2 LYS 44 - HA GLU 13 lone 1 73 - 1 - HD3 LYS 43 - HA GLU 92 lone 1 67 - 1 - HD2 LYS 20 - HA GLU 119 lone 1 48 - 1 - HD2 LYS 20 - HA GLU 66 lone 1 81 - 1 - HD3 LYS 44 - HA GLU 13 lone 1 72 - 1 - HD3 LYS 20 - HA GLU 66 lone 1 78 - 1 - HD3 LYS 20 - HA GLU 119 lone 1 46 - 1 - HD2 LYS 40 - HA GLU 92 lone 1 60 - 1 - HG LEU 74 - HA GLU 66 lone 1 92 - 1 - HD3 LYS 39 - HA GLU 66 lone 1 91 - 1 - HG12 ILE 71 - HA GLU 13 lone 1 71 - 1 - HD2 LYS 39 - HA GLU 66 lone 1 90 - 1 - HD3 LYS 40 - HA GLU 92 lone 1 56 - 1 - HB ILE 56 - HA LYS 123 lone 1 92 - 1 - HB3 LYS 106 - HA LYS 123 lone 1 73 - 1 - HD2 LYS 73 - HA GLU 66 lone 0 72 - 1 - HD2 LYS 17 - HA GLU 66 lone 1 58 - 1 - HD3 LYS 73 - HA GLU 66 lone 0 69 - 1 - HD3 LYS 43 - HA GLU 13 lone 0 50 - 1 - HD2 LYS 20 - HA GLU 92 lone 0 79 - 1 - HD2 LYS 17 - HA GLU 92 lone 0 56 - 1 - HG12 ILE 71 - HA GLU 92 lone 0 90 - 0 - HD2 LYS 73 - HA GLU 13 lone 0 52 - 1 - HB ILE 54 - HA LYS 123 lone 0 70 - 1 - HD3 LYS 20 - HA GLU 92 lone 0 76 - 1 - HB2 LYS 106 - HA LYS 123 lone 0 65 - 1 - HD2 LYS 44 - HA GLU 119 lone 0 60 - 1 - HD3 LYS 44 - HA GLU 119 lone 0 58 - 1 - HB ILE 56 - HA GLU 92 lone 0 82 - 0 - HG LEU 74 - HA GLU 92 lone 0 90 - 0 - HB ILE 56 - HA GLU 66 lone 0 84 - 0 - HG3 LYS 39 - HA GLU 92 lone 0 93 - 0 - HB ILE 56 - HA GLU 119 lone 0 50 - 1 - HB ILE 56 - HA GLU 13 lone 0 62 - 1 - HD2 LYS 73 - HA GLU 92 lone 0 70 - 1 - HB3 LYS 106 - HA GLU 13 lone 0 47 - 1 - HD3 LYS 39 - HA GLU 92 lone 0 89 - 0 - HD2 LYS 39 - HA GLU 92 lone 0 88 - 0 - HG LEU 74 - HA GLU 119 lone 0 57 - 1 - HD3 LYS 73 - HA GLU 92 lone 0 67 - 1 - HD3 LYS 73 - HA GLU 13 lone 0 50 - 1 - HB ILE 54 - HA GLU 92 lone 0 60 - 1 - HB2 LYS 106 - HA GLU 13 lone 0 41 - 1 - HD2 LYS 73 - HA GLU 119 lone 0 42 - 1 - HD3 LYS 96 - HA GLU 13 lone 0 47 - 1 - HD3 LYS 73 - HA GLU 119 lone 0 39 - 1 - HB ILE 54 - HA GLU 66 lone 0 62 - 0 - HD2 LYS 17 - HA GLU 119 lone 0 32 - 1 - HD2 LYS 96 - HA GLU 13 lone 0 41 - 1 - HB3 LYS 106 - HA GLU 66 lone 0 65 - 0 - HG3 LYS 39 - HA GLU 119 lone 0 60 - 0 - HB2 LYS 106 - HA GLU 66 lone 0 58 - 0 - HB3 LYS 106 - HA GLU 92 lone 0 63 - 0 - HD3 LYS 96 - HA GLU 119 lone 0 37 - 1 - HG12 ILE 71 - HA GLU 119 lone 0 57 - 0 - HD3 LYS 39 - HA GLU 119 lone 0 56 - 0 - HB3 LYS 106 - HA GLU 119 lone 0 37 - 1 - HD2 LYS 39 - HA GLU 119 lone 0 55 - 0 - HB2 LYS 106 - HA GLU 92 lone 0 56 - 0 - HD2 LYS 96 - HA GLU 119 lone 0 32 - 1 - HB2 LYS 106 - HA GLU 119 lone 0 32 - 1 - HB ILE 54 - HA GLU 119 lone 0 35 - 0 - Peak 7073 from cnoeabs.peaks (1.84, 4.03, 59.24 ppm; 3.56 A): 1 out of 40 assignments used, quality = 0.92: * HD2 LYS 123 + HA LYS 123 OK 92 100 - 92 - 4.6=45, 7093/2.9=25...(34) QE MET 121 - HA LYS 123 poor 9 84 - 11 - 1814/3.0=5, 7929/2231=2...(4) HD2 LYS 123 - HA GLU 66 lone 7 95 - 7 - 11206/3.6=2, 1.8/7128=2 HG LEU 70 - HA LYS 123 lone 7 99 - 7 - 1814/3.0=1 QE MET 121 - HA GLU 13 lone 5 55 - 9 - 10585/4.8=6, 1090/3.6=2 HG LEU 127 - HA LYS 123 lone 5 77 - 6 - 7656/3.6=2 HB3 LYS 77 - HA LYS 123 lone 2 100 - 2 - HB2 LYS 77 - HA LYS 123 lone 2 100 - 2 - HG LEU 127 - HA GLU 92 lone 2 67 - 3 - HB2 ARG 105 - HA LYS 123 lone 2 81 - 2 - HD2 LYS 123 - HA GLU 119 lone 2 60 - 3 - QE MET 121 - HA GLU 66 lone 1 75 - 2 - HD2 LYS 123 - HA GLU 92 lone 1 93 - 1 - QE MET 121 - HA GLU 119 lone 1 44 - 3 - HB3 LYS 19 - HA LYS 123 lone 1 94 - 1 - HB2 ARG 105 - HA GLU 119 lone 1 42 - 3 - HB2 LYS 77 - HA GLU 92 lone 1 93 - 1 - HB3 LYS 77 - HA GLU 92 lone 1 93 - 1 - HD2 LYS 123 - HA GLU 13 lone 1 74 - 1 - HB3 LYS 77 - HA GLU 66 lone 1 95 - 1 - HB2 LYS 77 - HA GLU 66 lone 1 95 - 1 - HG LEU 70 - HA GLU 66 lone 1 92 - 1 - HG LEU 70 - HA GLU 92 lone 1 90 - 1 - HB3 LYS 77 - HA GLU 13 lone 1 73 - 1 - QE MET 121 - HA GLU 92 lone 1 73 - 1 - HG LEU 127 - HA GLU 66 lone 1 69 - 1 - HB2 LYS 77 - HA GLU 13 lone 1 74 - 1 - HB3 LYS 19 - HA GLU 13 lone 0 65 - 1 - HB2 ARG 105 - HA GLU 66 lone 0 72 - 1 - HB3 LYS 19 - HA GLU 66 lone 0 86 - 0 - HB3 LYS 19 - HA GLU 92 lone 0 84 - 0 - HB2 LYS 77 - HA GLU 119 lone 0 60 - 1 - HB3 LYS 77 - HA GLU 119 lone 0 60 - 1 - HB2 ARG 105 - HA GLU 92 lone 0 70 - 0 - HG LEU 127 - HA GLU 13 lone 0 50 - 1 - HG LEU 70 - HA GLU 13 lone 0 71 - 0 - HB3 LYS 19 - HA GLU 119 lone 0 52 - 1 - HG LEU 70 - HA GLU 119 lone 0 57 - 0 - HG LEU 127 - HA GLU 119 lone 0 39 - 1 - HB2 ARG 105 - HA GLU 13 lone 0 52 - 0 - Peak 7074 from cnoeabs.peaks (1.75, 4.03, 59.24 ppm; 3.53 A): 1 out of 60 assignments used, quality = 0.95: * HD3 LYS 123 + HA LYS 123 OK 95 100 - 95 - 4.6=44, 1.8/7073=22...(36) HB2 LEU 68 - HA GLU 66 OK 15 95 - 16 - 4.0/2100=8, 4.6/2107=6, ~9761=2 HB2 LEU 68 - HA LYS 123 lone 10 100 - 10 - 4.6/2107=3, 4.0/2100=2...(4) HG2 ARG 118 - HA GLU 119 poor 10 30 - 33 - 751/3.0=9, ~752=8...(5) HD3 LYS 123 - HA GLU 66 lone 9 95 - 10 - 7128=2, 11205/3.6=2, 1.8/7073=2 HG2 LYS 17 - HA GLU 13 poor 8 68 - 12 - 2840/3.6=7, 4.9/1989=4 HB3 LYS 94 - HA GLU 92 lone 6 73 - 8 - 4.4/8199=5, ~576=1 HB3 LYS 49 - HA LYS 123 lone 5 97 - 5 - 1815/3.0=1, 4118/3.6=1 HG2 LYS 17 - HA LYS 123 lone 5 97 - 5 - 4.9/1989=1 HB2 LEU 68 - HA GLU 92 lone 4 93 - 4 - 4.6/2107=2 HB3 LYS 94 - HA GLU 66 lone 3 75 - 4 - 4.4/2159=3 HB3 LYS 94 - HA LYS 123 lone 3 84 - 4 - 4.4/8199=1 HG3 ARG 105 - HA GLU 119 lone 3 58 - 5 - 7844/3.6=2, ~749=1 HB2 LEU 80 - HA LYS 123 lone 3 99 - 3 - HG3 ARG 105 - HA LYS 123 lone 2 99 - 2 - HB2 LEU 114 - HA GLU 66 lone 2 75 - 3 - HB2 LEU 114 - HA LYS 123 lone 2 84 - 3 - HD3 LYS 123 - HA GLU 92 lone 2 93 - 2 - HD3 LYS 123 - HA GLU 119 lone 2 60 - 3 - HB2 LEU 80 - HA GLU 66 lone 1 92 - 1 - HB2 LEU 114 - HA GLU 13 lone 1 55 - 2 - 8239/4.8=1 HD3 LYS 123 - HA GLU 13 lone 1 74 - 2 - HB2 LEU 55 - HA GLU 13 lone 1 55 - 2 - HB3 LEU 82 - HA LYS 123 lone 1 87 - 1 - HB2 LEU 55 - HA LYS 123 lone 1 84 - 1 - HB2 LEU 114 - HA GLU 119 lone 1 44 - 2 - 751/3.0=1 HG2 LYS 17 - HA GLU 66 lone 1 90 - 1 - HB2 LEU 68 - HA GLU 13 lone 1 74 - 1 - HB3 LYS 94 - HA GLU 13 lone 1 55 - 2 - HG2 LYS 17 - HA GLU 92 lone 1 88 - 1 - HB3 LYS 94 - HA GLU 119 lone 1 44 - 2 - HB3 LEU 82 - HA GLU 66 lone 1 78 - 1 - HG2 ARG 118 - HA LYS 123 lone 1 61 - 1 - HG12 ILE 18 - HA LYS 123 lone 1 70 - 1 - HB2 LEU 68 - HA GLU 119 lone 1 60 - 1 - HB2 LEU 114 - HA GLU 92 lone 1 73 - 1 - HG2 LYS 17 - HA GLU 119 lone 1 55 - 1 - HG3 ARG 105 - HA GLU 66 lone 1 93 - 1 - HB3 LEU 82 - HA GLU 92 lone 1 76 - 1 - HB3 LYS 49 - HA GLU 66 lone 1 90 - 1 - HB2 LEU 80 - HA GLU 92 lone 1 90 - 1 - HG12 ILE 18 - HA GLU 13 lone 1 44 - 1 - HB2 LEU 80 - HA GLU 13 lone 0 71 - 1 - HB2 LEU 55 - HA GLU 92 lone 0 73 - 1 - HG3 ARG 105 - HA GLU 92 lone 0 92 - 0 - HB3 LEU 82 - HA GLU 13 lone 0 58 - 1 - HB2 LEU 55 - HA GLU 66 lone 0 75 - 1 - HB3 LEU 82 - HA GLU 119 lone 0 46 - 1 - HB3 LYS 49 - HA GLU 92 lone 0 88 - 0 - HG2 ARG 118 - HA GLU 66 lone 0 54 - 1 - HG12 ILE 18 - HA GLU 92 lone 0 60 - 1 - HG3 ARG 105 - HA GLU 13 lone 0 72 - 0 - HG12 ILE 18 - HA GLU 119 lone 0 35 - 1 - HG12 ILE 18 - HA GLU 66 lone 0 62 - 1 - HB2 LEU 80 - HA GLU 119 lone 0 57 - 1 - HB2 LEU 55 - HA GLU 119 lone 0 44 - 1 - HB3 LYS 49 - HA GLU 13 lone 0 68 - 0 - HB3 LYS 49 - HA GLU 119 lone 0 55 - 0 - HG2 ARG 118 - HA GLU 92 lone 0 52 - 0 - HG2 ARG 118 - HA GLU 13 lone 0 38 - 0 - Peak 7077 from cnoeabs.peaks (8.40, 1.93, 32.31 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 123 + HB2 LYS 123 OK 100 100 - 100 - 3.7=100 Peak 7078 from cnoeabs.peaks (4.03, 1.93, 32.31 ppm; 2.88 A): 2 out of 96 assignments used, quality = 1.00: * HA LYS 123 + HB2 LYS 123 OK 99 100 - 99 - 2.9=97, 7070/1.8=11...(18) HA LYS 40 + HB3 LYS 40 OK 70 73 - 96 - 3.0=88, 3650/1.8=25...(16) HA GLU 66 - HB2 LYS 65 OK 41 100 - 41 - 2.9/7624=8, 7069=6...(13) HA GLU 66 - HB3 LYS 65 OK 41 100 - 41 - 2.9/7624=8, 7069=6...(13) HA LYS 40 - HB2 LYS 39 OK 25 68 - 37 - 3.0/220=6, 3651=5...(12) HA PHE 120 - HB2 LYS 123 OK 22 100 - 22 - 8296/3.7=6, 8297=5...(6) HA LYS 40 - HB3 LYS 39 OK 13 35 - 37 - 3651=6, 3.0/220=5...(12) HA GLU 66 - HB3 LYS 115 OK 11 95 - 12 - 2.9/400=2, 7069=2...(5) HA LYS 123 - HB2 LYS 65 OK 11 100 - 11 - 7069=1, 3.0/1810=1...(4) HA GLU 66 - HB2 LYS 115 OK 10 88 - 12 - 2.9/400=2, 7069=2...(5) HA LYS 123 - HB3 LYS 65 OK 10 100 - 10 - 7069=1, 3.0/1810=1...(5) HA GLU 119 - HB3 LYS 115 lone 8 94 - 9 - ~8266=5, ~2217=2, 3651=1 HA GLU 119 - HB2 LYS 115 lone 8 87 - 9 - ~8266=5, ~2217=2 HA LYS 123 - HB3 LYS 115 lone 7 95 - 7 - 7069=1 HA GLU 66 - HB2 LYS 123 lone 6 100 - 6 - 2.9/7624=1 HA LYS 123 - HB2 LYS 39 lone 6 69 - 9 - 7069=1, 4.6/7119=1, 4.6/7129=1 HA LYS 123 - HB2 LYS 115 lone 6 88 - 6 - HA PHE 120 - HB2 LYS 65 lone 4 99 - 4 - HA PHE 120 - HB3 LYS 65 lone 4 99 - 4 - HA LYS 40 - HB2 LYS 123 lone 4 100 - 4 - HA LYS 123 - HB3 LYS 39 lone 3 36 - 8 - HA GLU 119 - HB3 LYS 40 lone 2 73 - 3 - HA GLU 119 - HB2 LYS 65 lone 2 100 - 2 - HA GLU 119 - HB3 LYS 65 lone 2 100 - 2 - HA LYS 40 - HB3 LYS 65 lone 2 99 - 2 - HA LYS 40 - HB2 LYS 65 lone 2 99 - 2 - HA LYS 40 - HB2 LYS 115 lone 2 87 - 2 - HA LYS 40 - HB3 LYS 115 lone 2 94 - 2 - HA LYS 123 - HB3 LYS 40 lone 2 74 - 3 - HA PHE 120 - HB3 LYS 115 lone 2 94 - 2 - HA PHE 120 - HB2 LYS 115 lone 2 87 - 2 - HA GLU 119 - HB2 LYS 123 lone 1 100 - 1 - HA GLU 13 - HB3 LYS 115 lone 1 95 - 1 - HA GLU 13 - HB2 LYS 123 lone 1 100 - 1 - HA GLU 87 - HB3 LYS 65 lone 1 91 - 2 - HA GLU 87 - HB2 LYS 65 lone 1 91 - 2 - HA GLU 13 - HB2 LYS 115 lone 1 88 - 2 - HA GLU 13 - HB3 LYS 40 lone 1 73 - 2 - HA PHE 120 - HB2 LYS 39 lone 1 68 - 2 - HB2 SER 126 - HB3 LYS 40 lone 1 73 - 2 - HB3 SER 126 - HB3 LYS 40 lone 1 71 - 2 - HA GLU 92 - HB2 LYS 123 lone 1 97 - 1 - HA PHE 120 - HB3 LYS 40 lone 1 73 - 1 - HA GLU 66 - HB2 LYS 39 lone 1 69 - 1 - HA GLU 66 - HB3 LYS 40 lone 1 73 - 1 - HA GLU 13 - HB2 LYS 39 lone 1 69 - 1 - HB2 SER 126 - HB2 LYS 123 lone 1 100 - 1 - HB3 SER 126 - HB2 LYS 123 lone 1 99 - 1 - HA GLU 13 - HB3 LYS 65 lone 1 100 - 1 - HA GLU 13 - HB2 LYS 65 lone 1 100 - 1 - HA3 GLY 75 - HB3 LYS 115 lone 1 75 - 1 - HA3 GLY 75 - HB2 LYS 115 lone 1 68 - 1 - HA GLU 87 - HB3 LYS 115 lone 1 83 - 1 - HA3 GLY 75 - HB2 LYS 123 lone 1 84 - 1 - HA PHE 120 - HB3 LYS 39 lone 1 35 - 2 - HA GLU 87 - HB2 LYS 115 lone 0 76 - 1 - HA GLU 66 - HB3 LYS 39 lone 1 36 - 1 - HA GLU 87 - HB2 LYS 123 lone 0 92 - 0 - HA GLU 92 - HB3 LYS 40 lone 0 68 - 1 - HA GLU 92 - HB3 LYS 65 lone 0 96 - 0 - HA GLU 92 - HB2 LYS 65 lone 0 96 - 0 - HB2 SER 126 - HB2 LYS 65 lone 0 100 - 0 - HB2 SER 126 - HB3 LYS 65 lone 0 100 - 0 - HB3 SER 126 - HB2 LYS 65 lone 0 98 - 0 - HB3 SER 126 - HB3 LYS 65 lone 0 98 - 0 - HA GLU 92 - HB3 LYS 115 lone 0 89 - 0 - HB2 SER 126 - HB3 LYS 115 lone 0 94 - 0 - HB3 SER 126 - HB3 LYS 115 lone 0 92 - 0 - HA GLU 92 - HB2 LYS 115 lone 0 82 - 0 - HB2 SER 126 - HB2 LYS 115 lone 0 87 - 0 - HA GLU 13 - HB3 LYS 39 lone 0 36 - 1 - HB3 SER 126 - HB2 LYS 115 lone 0 85 - 0 - HA3 GLY 75 - HB3 LYS 40 lone 0 55 - 1 - HA GLU 119 - HB2 LYS 39 lone 0 68 - 0 - HA3 GLY 75 - HB2 LYS 65 lone 0 83 - 0 - HA3 GLY 75 - HB3 LYS 65 lone 0 83 - 0 - HA GLU 87 - HB3 LYS 40 lone 0 62 - 0 - HA GLU 87 - HB2 LYS 39 lone 0 58 - 0 - HA3 GLY 101 - HB3 LYS 115 lone 0 65 - 0 - HA GLU 92 - HB2 LYS 39 lone 0 63 - 0 - HA3 GLY 101 - HB2 LYS 115 lone 0 58 - 0 - HB2 SER 126 - HB2 LYS 39 lone 0 68 - 0 - HB3 SER 126 - HB2 LYS 39 lone 0 66 - 0 - HA3 GLY 101 - HB2 LYS 65 lone 0 73 - 0 - HA3 GLY 101 - HB3 LYS 65 lone 0 72 - 0 - HA3 GLY 101 - HB2 LYS 123 lone 0 73 - 0 - HA3 GLY 75 - HB2 LYS 39 lone 0 51 - 0 - HA3 GLY 101 - HB3 LYS 40 lone 0 47 - 0 - HA GLU 119 - HB3 LYS 39 lone 0 36 - 0 - HA GLU 92 - HB3 LYS 39 lone 0 33 - 0 - HB2 SER 126 - HB3 LYS 39 lone 0 36 - 0 - HA3 GLY 101 - HB2 LYS 39 lone 0 43 - 0 - HA GLU 87 - HB3 LYS 39 lone 0 29 - 0 - HB3 SER 126 - HB3 LYS 39 lone 0 34 - 0 - HA3 GLY 75 - HB3 LYS 39 lone 0 25 - 0 - HA3 GLY 101 - HB3 LYS 39 lone 0 21 - 0 - Peak 7079 from cnoeabs.peaks (1.93, 1.93, 32.31 ppm; diagonal): 7 out of 8 assignments used, quality = 1.00: * HB2 LYS 123 + HB2 LYS 123 OK 100 100 - 100 HB2 LYS 65 + HB2 LYS 65 OK 100 100 - 100 HB3 LYS 65 + HB3 LYS 65 OK 100 100 - 100 HB3 LYS 115 + HB3 LYS 115 OK 95 95 - 100 HB2 LYS 115 + HB2 LYS 115 OK 83 83 - 100 HB2 LYS 39 + HB2 LYS 39 OK 69 69 - 100 HB3 LYS 40 + HB3 LYS 40 OK 60 60 - 100 HB3 LYS 39 - HB3 LYS 39 OK 24 24 - 100 Peak 7080 from cnoeabs.peaks (1.91, 1.93, 32.31 ppm; 2.40 A): 3 out of 3 assignments used, quality = 1.00: * HB3 LYS 123 + HB2 LYS 123 OK 100 100 - 100 - 1.8=100 HB2 LYS 115 + HB3 LYS 115 OK 72 72 - 100 - 1.8=100 HB3 LYS 65 + HB2 LYS 65 OK 61 61 - 100 - 1.8=100 Peak 7081 from cnoeabs.peaks (1.57, 1.93, 32.31 ppm; 2.83 A): 3 out of 112 assignments used, quality = 1.00: * HG2 LYS 123 + HB2 LYS 123 OK 97 100 - 97 - 2.9=90, 7104/3.8=13...(30) HG2 LYS 115 + HB3 LYS 115 OK 68 72 - 94 - 3.0=89, 6703/3.0=6...(18) HG2 LYS 115 + HB2 LYS 115 OK 61 64 - 94 - 3.0=89, 6703/3.0=6...(18) HG2 LYS 115 - HB2 LYS 65 OK 24 80 - 30 - 6732=2, 6730/3.0=2...(7) HG2 LYS 115 - HB3 LYS 65 OK 24 80 - 30 - 6732=2, 6730/3.0=2...(7) HG12 ILE 116 - HB3 LYS 115 OK 21 86 - 25 - 1763/4.4=9, ~11193=4...(11) HG12 ILE 116 - HB2 LYS 115 OK 19 78 - 24 - 1763/4.4=9, ~11193=4...(10) HG2 LYS 123 - HB2 LYS 65 OK 14 100 - 14 - 2.9/7083=2, 2.9/7129=2 HG2 LYS 123 - HB3 LYS 65 OK 13 100 - 13 - 2.9/7083=2, 2.9/7129=2, ~7129=1 HG2 LYS 123 - HB3 LYS 115 OK 10 95 - 11 - 2.9/7129=2, 2.9/7083=1 HG3 LYS 96 - HB3 LYS 40 OK 10 71 - 15 - 6111/4.0=3, 4.0/8046=2 HG2 LYS 123 - HB2 LYS 115 lone 9 88 - 10 - 2.9/7129=1, 2.9/7119=1 HG2 LYS 44 - HB2 LYS 123 lone 8 97 - 8 - 1812/3.7=1 HG2 LYS 123 - HB2 LYS 39 poor 8 69 - 12 - 2.9/7129=2, 2.9/7119=2 HG LEU 68 - HB2 LYS 65 lone 8 83 - 10 - ~8127=3, ~8125=2...(4) HG LEU 68 - HB3 LYS 65 lone 8 83 - 10 - ~8127=3, ~8125=2...(4) HG3 LYS 96 - HB2 LYS 39 poor 7 66 - 11 - 6111/4.3=2, 7799/4.0=2 HG12 ILE 116 - HB2 LYS 65 lone 7 93 - 7 - 4.5/728=1 HG12 ILE 116 - HB3 LYS 65 lone 7 93 - 7 - 4.5/728=1 HG LEU 68 - HB3 LYS 115 lone 7 75 - 9 - ~10455=7 HG2 LYS 44 - HB2 LYS 39 poor 6 63 - 10 - HG LEU 68 - HB2 LYS 115 lone 6 68 - 9 - ~10455=7 HB3 LEU 70 - HB2 LYS 123 lone 6 99 - 6 - 4.5/436=1 HG3 LYS 96 - HB2 LYS 123 lone 4 99 - 4 - HG12 ILE 3 - HB2 LYS 123 lone 4 81 - 5 - ~10654=2, 2.1/10654=2, ~9015=1 HG2 LYS 123 - HB3 LYS 39 poor 4 36 - 11 - 2.9/7129=2, 2.9/7119=2 HB3 LEU 70 - HB2 LYS 65 lone 4 98 - 4 - HB3 LEU 70 - HB3 LYS 65 lone 4 98 - 4 - HG3 LYS 96 - HB3 LYS 39 poor 4 34 - 10 - 6111/4.3=2, 7799/4.0=2 HG2 LYS 115 - HB2 LYS 123 lone 3 81 - 4 - HG2 LYS 44 - HB3 LYS 39 lone 3 33 - 10 - HG2 LYS 44 - HB3 LYS 40 lone 3 68 - 4 - HB3 LEU 70 - HB3 LYS 115 lone 2 92 - 2 - HG LEU 68 - HB2 LYS 123 lone 2 84 - 2 - HB3 LEU 70 - HB2 LYS 115 lone 2 85 - 2 - HG2 LYS 123 - HB3 LYS 40 lone 2 74 - 2 - HG3 LYS 96 - HB3 LYS 115 lone 2 92 - 2 - HG12 ILE 3 - HB3 LYS 115 lone 2 72 - 2 - HG3 LYS 96 - HB2 LYS 65 lone 2 98 - 2 - HG3 LYS 96 - HB3 LYS 65 lone 2 98 - 2 - HG3 LYS 96 - HB2 LYS 115 lone 2 85 - 2 - HG12 ILE 3 - HB2 LYS 115 lone 2 64 - 2 - HG12 ILE 3 - HB2 LYS 65 lone 1 80 - 2 - HG12 ILE 3 - HB3 LYS 65 lone 1 80 - 2 - HD2 LYS 19 - HB2 LYS 39 lone 1 35 - 3 - HD3 LYS 19 - HB2 LYS 39 lone 1 35 - 3 - HD3 LYS 106 - HB3 LYS 115 lone 1 75 - 1 - HD2 LYS 106 - HB3 LYS 115 lone 1 72 - 1 - HD3 LYS 106 - HB2 LYS 115 lone 1 68 - 1 - HG LEU 55 - HB3 LYS 115 lone 1 86 - 1 - HD2 LYS 106 - HB2 LYS 115 lone 1 64 - 1 - HG2 LYS 44 - HB2 LYS 65 lone 1 96 - 1 - HG2 LYS 44 - HB3 LYS 65 lone 1 96 - 1 - HG LEU 55 - HB2 LYS 115 lone 1 78 - 1 - HG12 ILE 116 - HB2 LYS 123 lone 1 94 - 1 - HG2 LYS 115 - HB3 LYS 40 lone 1 52 - 1 - HG2 LYS 44 - HB3 LYS 115 lone 1 89 - 1 - HB3 LEU 70 - HB2 LYS 39 lone 1 66 - 1 - HG LEU 55 - HB2 LYS 123 lone 0 94 - 0 - HG2 LYS 44 - HB2 LYS 115 lone 0 82 - 1 - HD3 LYS 106 - HB2 LYS 65 lone 0 83 - 1 - HD3 LYS 106 - HB3 LYS 65 lone 0 83 - 1 - HG LEU 55 - HB2 LYS 65 lone 0 93 - 0 - HG LEU 55 - HB3 LYS 65 lone 0 93 - 0 - HD2 LYS 106 - HB3 LYS 65 lone 0 80 - 1 - HD2 LYS 106 - HB2 LYS 65 lone 0 80 - 1 - HG2 LYS 115 - HB2 LYS 39 lone 0 48 - 1 - HD2 LYS 19 - HB3 LYS 39 lone 0 17 - 3 - HD3 LYS 19 - HB3 LYS 39 lone 0 17 - 3 - HD3 LYS 106 - HB2 LYS 123 lone 0 84 - 0 - HB3 LEU 70 - HB3 LYS 40 lone 0 71 - 1 - HD2 LYS 106 - HB2 LYS 123 lone 0 81 - 0 - HG LEU 55 - HB3 LYS 40 lone 0 64 - 1 - HB VAL 78 - HB3 LYS 115 lone 0 58 - 1 - HB VAL 78 - HB2 LYS 123 lone 0 65 - 0 - HB VAL 78 - HB2 LYS 115 lone 0 51 - 1 - HD3 LYS 19 - HB2 LYS 123 lone 0 61 - 0 - HD2 LYS 19 - HB2 LYS 123 lone 0 61 - 0 - HG12 ILE 3 - HB3 LYS 40 lone 0 52 - 1 - HB VAL 78 - HB2 LYS 39 lone 0 38 - 1 - HB VAL 78 - HB2 LYS 65 lone 0 65 - 0 - HB VAL 78 - HB3 LYS 65 lone 0 64 - 0 - HD2 LYS 19 - HB2 LYS 65 lone 0 61 - 0 - HD3 LYS 19 - HB2 LYS 65 lone 0 61 - 0 - HD3 LYS 19 - HB3 LYS 65 lone 0 60 - 0 - HD2 LYS 19 - HB3 LYS 65 lone 0 60 - 0 - HD2 LYS 19 - HB3 LYS 115 lone 0 54 - 0 - HD3 LYS 19 - HB3 LYS 115 lone 0 54 - 0 - HD3 LYS 106 - HB3 LYS 40 lone 0 55 - 0 - HD3 LYS 106 - HB2 LYS 39 lone 0 51 - 0 - HD2 LYS 106 - HB3 LYS 40 lone 0 52 - 0 - HG LEU 68 - HB3 LYS 40 lone 0 55 - 0 - HD2 LYS 106 - HB2 LYS 39 lone 0 48 - 0 - HD2 LYS 19 - HB2 LYS 115 lone 0 48 - 0 - HD3 LYS 19 - HB2 LYS 115 lone 0 48 - 0 - HG LEU 55 - HB2 LYS 39 lone 0 60 - 0 - HG12 ILE 116 - HB3 LYS 40 lone 0 64 - 0 - HB3 LEU 70 - HB3 LYS 39 lone 0 34 - 1 - HG12 ILE 116 - HB2 LYS 39 lone 0 60 - 0 - HG LEU 68 - HB2 LYS 39 lone 0 51 - 0 - HG12 ILE 3 - HB2 LYS 39 lone 0 48 - 0 - HG2 LYS 115 - HB3 LYS 39 lone 0 24 - 1 - HD2 LYS 19 - HB3 LYS 40 lone 0 38 - 0 - HD3 LYS 19 - HB3 LYS 40 lone 0 38 - 0 - HD3 LYS 106 - HB3 LYS 39 lone 0 25 - 0 - HB VAL 78 - HB3 LYS 39 lone 0 18 - 1 - HD2 LYS 106 - HB3 LYS 39 lone 0 24 - 0 - HB VAL 78 - HB3 LYS 40 lone 0 41 - 0 - HG LEU 55 - HB3 LYS 39 lone 0 30 - 0 - HG12 ILE 3 - HB3 LYS 39 lone 0 24 - 0 - HG LEU 68 - HB3 LYS 39 lone 0 25 - 0 - HG12 ILE 116 - HB3 LYS 39 lone 0 30 - 0 - Peak 7082 from cnoeabs.peaks (1.70, 1.93, 32.31 ppm; 2.70 A): 4 out of 192 assignments used, quality = 0.99: * HG3 LYS 123 + HB2 LYS 123 OK 92 100 - 92 - 2.9=77, 7114/3.8=12...(30) HG3 LYS 39 + HB2 LYS 39 OK 60 69 - 88 - 2.9=80, 3598/4.0=6...(20) HD3 LYS 39 + HB2 LYS 39 OK 48 65 - 75 - 3.5=45, 1.8/3610=6...(25) HD2 LYS 39 + HB2 LYS 39 OK 47 63 - 75 - 3.5=45, 1.8/3610=6...(25) HD2 LYS 40 - HB3 LYS 40 OK 35 44 - 79 - 3.6=43, 1.8/3711=6...(44) HD3 LYS 40 - HB3 LYS 40 OK 32 41 - 79 - 3.6=43, 1.8/3711=6...(44) HG3 LYS 39 - HB3 LYS 39 OK 31 36 - 87 - 2.9=80, 3598/4.0=6...(20) HD3 LYS 39 - HB3 LYS 39 OK 25 33 - 74 - 3.5=45, 3620/1.8=6...(26) HD2 LYS 39 - HB3 LYS 39 OK 24 33 - 74 - 3.5=45, 3620/1.8=6...(26) HD3 LYS 16 - HB3 LYS 40 OK 22 62 - 36 - 1.8/3701=3, 3701=2...(14) HD2 LYS 16 - HB3 LYS 40 OK 19 55 - 35 - 3701=3, 1.8/3701=3...(15) HG3 LYS 123 - HB2 LYS 65 OK 12 100 - 12 - 2.9/7083=2, 2.9/7129=2 HD2 LYS 44 - HB2 LYS 123 OK 11 100 - 11 - 3620=1 HD3 LYS 44 - HB2 LYS 123 OK 11 99 - 11 - 3620=1 HG3 LYS 123 - HB3 LYS 65 OK 11 100 - 11 - 2.9/7083=2, 2.9/7129=2 HG3 LYS 123 - HB3 LYS 115 lone 9 95 - 10 - 2.9/7129=1, 2.9/7083=1 HD3 LYS 43 - HB3 LYS 40 poor 9 49 - 17 - HD2 LYS 44 - HB2 LYS 39 poor 8 68 - 12 - 3620=1, 3619/3.0=1 HD3 LYS 44 - HB2 LYS 39 poor 8 67 - 12 - 3620=1, 3619/3.0=1 HG3 LYS 39 - HB2 LYS 123 lone 7 100 - 7 - 7114/3.8=1, 7122/3.8=1 HD2 LYS 20 - HB3 LYS 40 poor 7 60 - 12 - HG12 ILE 71 - HB2 LYS 123 lone 7 99 - 7 - ~10612=2 HD3 LYS 39 - HB2 LYS 123 lone 7 98 - 7 - HG3 LYS 123 - HB2 LYS 115 lone 7 88 - 8 - 2.9/7129=1, 2.9/7119=1 HD2 LYS 39 - HB2 LYS 123 lone 7 97 - 7 - HD3 LYS 20 - HB3 LYS 40 poor 7 57 - 12 - HG3 LYS 39 - HB3 LYS 40 lone 7 74 - 9 - 7476/4.0=4 HG3 LYS 123 - HB2 LYS 39 lone 7 69 - 10 - 2.9/7129=2, 2.9/7119=2 HD3 LYS 39 - HB3 LYS 40 lone 6 69 - 9 - 7478/4.0=2 HD2 LYS 39 - HB3 LYS 40 lone 6 68 - 9 - 7478/4.0=2 HG12 ILE 71 - HB2 LYS 65 lone 6 98 - 6 - 11370/3.0=1 HG12 ILE 71 - HB3 LYS 65 lone 6 98 - 6 - 11370/3.0=1 HD3 LYS 96 - HB3 LYS 40 poor 5 47 - 11 - 5.3/8046=1 HD2 LYS 73 - HB3 LYS 40 lone 5 52 - 9 - HD2 LYS 96 - HB3 LYS 40 poor 5 41 - 11 - 5.3/8046=1 HD3 LYS 73 - HB3 LYS 40 lone 4 49 - 9 - HD2 LYS 44 - HB3 LYS 39 poor 4 36 - 11 - 3619/3.0=1 HD3 LYS 44 - HB3 LYS 39 poor 4 35 - 12 - 3619/3.0=1 HD2 LYS 40 - HB2 LYS 39 lone 4 40 - 10 - 6.2/220=1 HD3 LYS 16 - HB2 LYS 123 lone 4 92 - 4 - HD3 LYS 40 - HB2 LYS 39 lone 4 38 - 10 - 6.2/220=1 HD2 LYS 16 - HB2 LYS 123 lone 3 84 - 4 - HG3 LYS 123 - HB3 LYS 39 lone 3 36 - 9 - 2.9/7129=1, 2.9/7119=1 HD3 LYS 16 - HB3 LYS 115 lone 3 83 - 3 - HD3 LYS 96 - HB2 LYS 123 lone 3 73 - 4 - HD3 LYS 16 - HB2 LYS 65 lone 3 91 - 3 - HD3 LYS 16 - HB3 LYS 65 lone 3 91 - 3 - HD3 LYS 16 - HB2 LYS 115 lone 3 76 - 3 - HD2 LYS 16 - HB3 LYS 115 lone 3 75 - 3 - HD3 LYS 16 - HB2 LYS 39 lone 2 58 - 4 - HD2 LYS 96 - HB2 LYS 123 lone 2 65 - 4 - HD2 LYS 16 - HB2 LYS 65 lone 2 83 - 3 - HD2 LYS 16 - HB3 LYS 65 lone 2 83 - 3 - HD2 LYS 16 - HB2 LYS 115 lone 2 68 - 3 - HD2 LYS 16 - HB2 LYS 39 lone 2 51 - 4 - HD3 LYS 96 - HB2 LYS 39 lone 2 43 - 5 - HD3 LYS 43 - HB2 LYS 39 lone 2 46 - 5 - HD2 LYS 17 - HB2 LYS 123 lone 2 65 - 3 - HD2 LYS 40 - HB3 LYS 39 lone 2 20 - 10 - 223/4.3=1 HD3 LYS 44 - HB3 LYS 40 lone 2 72 - 2 - HD2 LYS 17 - HB3 LYS 115 lone 2 58 - 3 - HD2 LYS 96 - HB2 LYS 39 lone 2 38 - 5 - HG3 LYS 123 - HB3 LYS 40 lone 2 74 - 2 - HG LEU 74 - HB2 LYS 123 lone 2 99 - 2 - HD2 LYS 44 - HB3 LYS 40 lone 2 73 - 2 - HD3 LYS 40 - HB3 LYS 39 lone 2 18 - 10 - 1255/4.3=1 HG12 ILE 71 - HB3 LYS 115 lone 2 92 - 2 - HD2 LYS 17 - HB2 LYS 115 lone 2 51 - 3 - HG12 ILE 71 - HB2 LYS 115 lone 1 85 - 2 - HG3 LYS 39 - HB2 LYS 65 lone 1 100 - 1 - HG3 LYS 39 - HB3 LYS 65 lone 1 100 - 1 - HD3 LYS 16 - HB3 LYS 39 lone 1 29 - 4 - HD2 LYS 20 - HB2 LYS 39 lone 1 56 - 2 - HD3 LYS 39 - HB2 LYS 65 lone 1 98 - 1 - HD2 LYS 17 - HB3 LYS 40 lone 1 41 - 3 - HD3 LYS 39 - HB3 LYS 65 lone 1 97 - 1 - HB ILE 54 - HB2 LYS 65 lone 1 69 - 2 - HB ILE 54 - HB3 LYS 65 lone 1 68 - 2 - HD2 LYS 73 - HB2 LYS 39 lone 1 48 - 2 - HD2 LYS 39 - HB2 LYS 65 lone 1 96 - 1 - HD2 LYS 39 - HB3 LYS 65 lone 1 96 - 1 - HD3 LYS 20 - HB2 LYS 39 lone 1 53 - 2 - HD3 LYS 96 - HB3 LYS 39 lone 1 21 - 5 - HD2 LYS 16 - HB3 LYS 39 lone 1 25 - 4 - HD3 LYS 73 - HB2 LYS 39 lone 1 46 - 2 - HD2 LYS 40 - HB2 LYS 123 lone 1 70 - 1 - HD2 LYS 17 - HB2 LYS 65 lone 1 65 - 2 - HD2 LYS 17 - HB3 LYS 65 lone 1 64 - 2 - HD3 LYS 40 - HB2 LYS 123 lone 1 65 - 1 - HD2 LYS 96 - HB3 LYS 39 lone 1 18 - 5 - HD2 LYS 44 - HB2 LYS 65 lone 1 100 - 1 - HG3 LYS 39 - HB3 LYS 115 lone 1 95 - 1 - HD3 LYS 44 - HB2 LYS 65 lone 1 99 - 1 - HD3 LYS 39 - HB2 LYS 115 lone 1 83 - 1 - HD3 LYS 39 - HB3 LYS 115 lone 1 91 - 1 - HD3 LYS 43 - HB3 LYS 39 lone 1 23 - 4 - HD2 LYS 44 - HB3 LYS 65 lone 1 100 - 1 - HD3 LYS 44 - HB3 LYS 65 lone 1 99 - 1 - HD2 LYS 39 - HB3 LYS 115 lone 1 89 - 1 - HD2 LYS 39 - HB2 LYS 115 lone 1 82 - 1 - HD2 LYS 20 - HB2 LYS 123 lone 1 90 - 1 - HD3 LYS 43 - HB2 LYS 123 lone 1 77 - 1 - HD3 LYS 20 - HB2 LYS 123 lone 1 87 - 1 - HG3 LYS 39 - HB2 LYS 115 lone 1 88 - 1 - HG LEU 74 - HB3 LYS 115 lone 1 92 - 1 - HD3 LYS 96 - HB2 LYS 65 lone 1 73 - 1 - HD3 LYS 96 - HB3 LYS 65 lone 1 72 - 1 - HD2 LYS 73 - HB2 LYS 123 lone 1 81 - 1 - HD2 LYS 20 - HB3 LYS 115 lone 1 81 - 1 - HD3 LYS 96 - HB3 LYS 115 lone 1 65 - 1 - HG LEU 74 - HB2 LYS 115 lone 1 85 - 1 - HG12 ILE 71 - HB2 LYS 39 lone 1 66 - 1 - HD2 LYS 44 - HB3 LYS 115 lone 1 94 - 1 - HD3 LYS 20 - HB3 LYS 115 lone 1 78 - 1 - HD3 LYS 73 - HB2 LYS 123 lone 1 77 - 1 - HD2 LYS 20 - HB2 LYS 115 lone 1 73 - 1 - HD3 LYS 44 - HB3 LYS 115 lone 1 93 - 1 - HD2 LYS 96 - HB2 LYS 65 lone 1 65 - 1 - HD2 LYS 96 - HB3 LYS 65 lone 1 64 - 1 - HD3 LYS 20 - HB2 LYS 115 lone 1 70 - 1 - HD2 LYS 96 - HB3 LYS 115 lone 1 58 - 1 - HD2 LYS 44 - HB2 LYS 115 lone 1 87 - 1 - HD3 LYS 96 - HB2 LYS 115 lone 1 58 - 1 - HD3 LYS 44 - HB2 LYS 115 lone 1 86 - 1 - HD2 LYS 20 - HB2 LYS 65 lone 1 89 - 1 - HD2 LYS 20 - HB3 LYS 65 lone 1 89 - 1 - HD2 LYS 20 - HB3 LYS 39 lone 1 28 - 2 - HD2 LYS 40 - HB3 LYS 65 lone 1 68 - 1 - HD2 LYS 40 - HB2 LYS 65 lone 1 69 - 1 - HD2 LYS 40 - HB3 LYS 115 lone 1 61 - 1 - HD3 LYS 20 - HB2 LYS 65 lone 1 86 - 1 - HD3 LYS 20 - HB3 LYS 65 lone 1 86 - 1 - HD3 LYS 20 - HB3 LYS 39 lone 1 27 - 2 - HD2 LYS 73 - HB3 LYS 39 lone 1 24 - 2 - HG LEU 74 - HB2 LYS 65 lone 0 98 - 0 - HD2 LYS 73 - HB2 LYS 65 lone 0 80 - 1 - HD2 LYS 73 - HB3 LYS 65 lone 0 80 - 1 - HG LEU 74 - HB3 LYS 65 lone 0 98 - 0 - HD2 LYS 40 - HB2 LYS 115 lone 1 55 - 1 - HD3 LYS 40 - HB3 LYS 65 lone 1 64 - 1 - HD2 LYS 73 - HB3 LYS 115 lone 0 72 - 1 - HD2 LYS 96 - HB2 LYS 115 lone 1 51 - 1 - HD3 LYS 40 - HB2 LYS 65 lone 1 65 - 1 - HD3 LYS 40 - HB3 LYS 115 lone 1 58 - 1 - HD2 LYS 73 - HB2 LYS 115 lone 0 64 - 1 - HD3 LYS 73 - HB2 LYS 65 lone 0 76 - 1 - HD3 LYS 73 - HB3 LYS 65 lone 0 76 - 1 - HD3 LYS 73 - HB3 LYS 39 lone 1 23 - 2 - HD3 LYS 43 - HB3 LYS 65 lone 0 76 - 1 - HD3 LYS 43 - HB2 LYS 65 lone 0 76 - 1 - HD3 LYS 73 - HB3 LYS 115 lone 0 68 - 1 - HD3 LYS 40 - HB2 LYS 115 lone 0 51 - 1 - HD3 LYS 73 - HB2 LYS 115 lone 0 61 - 1 - HB ILE 54 - HB2 LYS 123 lone 0 70 - 1 - HB ILE 56 - HB2 LYS 65 lone 0 91 - 0 - HG LEU 74 - HB2 LYS 39 lone 0 66 - 1 - HB ILE 56 - HB3 LYS 65 lone 0 91 - 0 - HD3 LYS 43 - HB3 LYS 115 lone 0 68 - 1 - HD3 LYS 43 - HB2 LYS 115 lone 0 61 - 1 - HB ILE 56 - HB3 LYS 115 lone 0 83 - 0 - HB ILE 56 - HB2 LYS 123 lone 0 92 - 0 - HB3 LYS 106 - HB2 LYS 123 lone 0 73 - 0 - HB ILE 56 - HB2 LYS 115 lone 0 76 - 0 - HG12 ILE 71 - HB3 LYS 39 lone 0 34 - 1 - HB ILE 54 - HB3 LYS 115 lone 0 61 - 1 - HB ILE 54 - HB3 LYS 40 lone 0 44 - 1 - HB2 LYS 106 - HB2 LYS 123 lone 0 65 - 0 - HD2 LYS 17 - HB2 LYS 39 lone 0 38 - 1 - HB ILE 54 - HB2 LYS 115 lone 0 55 - 0 - HG12 ILE 71 - HB3 LYS 40 lone 0 71 - 0 - HB ILE 54 - HB2 LYS 39 lone 0 40 - 1 - HB3 LYS 106 - HB3 LYS 65 lone 0 72 - 0 - HB3 LYS 106 - HB3 LYS 115 lone 0 65 - 0 - HB3 LYS 106 - HB2 LYS 65 lone 0 73 - 0 - HB ILE 56 - HB2 LYS 39 lone 0 58 - 0 - HB3 LYS 106 - HB2 LYS 39 lone 0 43 - 0 - HG LEU 74 - HB3 LYS 40 lone 0 71 - 0 - HB2 LYS 106 - HB3 LYS 65 lone 0 64 - 0 - HB2 LYS 106 - HB3 LYS 115 lone 0 58 - 0 - HB2 LYS 106 - HB2 LYS 65 lone 0 65 - 0 - HG LEU 74 - HB3 LYS 39 lone 0 34 - 1 - HB3 LYS 106 - HB2 LYS 115 lone 0 58 - 0 - HB2 LYS 106 - HB2 LYS 39 lone 0 38 - 0 - HB ILE 56 - HB3 LYS 40 lone 0 62 - 0 - HB2 LYS 106 - HB2 LYS 115 lone 0 51 - 0 - HB3 LYS 106 - HB3 LYS 40 lone 0 47 - 0 - HD2 LYS 17 - HB3 LYS 39 lone 0 18 - 1 - HB ILE 54 - HB3 LYS 39 lone 0 20 - 1 - HB2 LYS 106 - HB3 LYS 40 lone 0 41 - 0 - HB3 LYS 106 - HB3 LYS 39 lone 0 21 - 0 - HB ILE 56 - HB3 LYS 39 lone 0 29 - 0 - HB2 LYS 106 - HB3 LYS 39 lone 0 18 - 0 - Peak 7083 from cnoeabs.peaks (1.84, 1.93, 32.31 ppm; 2.40 A): 3 out of 64 assignments used, quality = 0.77: * HD2 LYS 123 + HB2 LYS 123 OK 70 100 - 70 - 3.8=24, 7120/1.8=10...(21) HD2 LYS 123 + HB2 LYS 65 OK 13 100 - 13 - 1.8/7129=2, 7119=2...(4) HD2 LYS 123 + HB3 LYS 65 OK 12 100 - 12 - 1.8/7129=2, 7119=2...(4) HD2 LYS 123 - HB3 LYS 115 lone 9 95 - 9 - 1.8/7129=2, 7119=1, 7119/1.8=1 HD2 LYS 123 - HB2 LYS 39 poor 9 69 - 13 - 7119=2, 1.8/7129=2...(4) HD2 LYS 123 - HB2 LYS 115 lone 7 88 - 9 - 7119/1.8=1, 7119=1, 1.8/7129=1 HD2 LYS 123 - HB3 LYS 39 poor 5 36 - 13 - 7119/1.8=2, 7119=2...(5) HG LEU 70 - HB2 LYS 123 lone 3 99 - 3 - QE MET 121 - HB2 LYS 123 lone 2 84 - 3 - 1814/3.7=1 HB3 LYS 19 - HB2 LYS 39 lone 2 60 - 4 - 7992/3.0=1, ~7990=1 HG LEU 70 - HB2 LYS 65 lone 2 98 - 2 - HG LEU 70 - HB3 LYS 65 lone 2 98 - 2 - HG LEU 70 - HB3 LYS 115 lone 1 92 - 1 - HG LEU 127 - HB2 LYS 123 lone 1 77 - 1 - HB3 LYS 19 - HB3 LYS 39 lone 1 30 - 3 - 7992/3.0=1, ~7990=1 HG LEU 70 - HB2 LYS 115 lone 1 85 - 1 - HD2 LYS 123 - HB3 LYS 40 lone 1 74 - 1 - HB3 LYS 77 - HB2 LYS 123 lone 1 100 - 1 - HB2 LYS 77 - HB2 LYS 123 lone 1 100 - 1 - HB3 LYS 77 - HB2 LYS 39 lone 1 68 - 1 - HB2 LYS 77 - HB2 LYS 39 lone 1 69 - 1 - HB2 ARG 105 - HB3 LYS 115 lone 1 72 - 1 - HB2 ARG 105 - HB2 LYS 123 lone 1 81 - 1 - HB2 ARG 105 - HB2 LYS 115 lone 1 64 - 1 - HG LEU 127 - HB2 LYS 65 lone 0 76 - 1 - HG LEU 127 - HB3 LYS 65 lone 0 76 - 1 - HB3 LYS 77 - HB3 LYS 65 lone 0 100 - 0 - HB3 LYS 77 - HB2 LYS 65 lone 0 100 - 0 - HB2 LYS 77 - HB3 LYS 65 lone 0 100 - 0 - HB2 LYS 77 - HB2 LYS 65 lone 0 100 - 0 - HB3 LYS 19 - HB2 LYS 123 lone 0 94 - 0 - QE MET 121 - HB2 LYS 65 lone 0 83 - 0 - QE MET 121 - HB3 LYS 65 lone 0 83 - 0 - HB2 ARG 105 - HB3 LYS 65 lone 0 80 - 1 - HB2 ARG 105 - HB2 LYS 65 lone 0 80 - 0 - HB3 LYS 77 - HB3 LYS 39 lone 0 36 - 1 - HB2 LYS 77 - HB3 LYS 39 lone 0 36 - 1 - HB3 LYS 19 - HB3 LYS 115 lone 0 86 - 0 - HB3 LYS 19 - HB2 LYS 65 lone 0 93 - 0 - HB3 LYS 19 - HB3 LYS 65 lone 0 93 - 0 - HB3 LYS 19 - HB2 LYS 115 lone 0 78 - 0 - HB3 LYS 77 - HB3 LYS 115 lone 0 94 - 0 - HB2 LYS 77 - HB3 LYS 115 lone 0 95 - 0 - HB3 LYS 77 - HB2 LYS 115 lone 0 87 - 0 - HB2 LYS 77 - HB2 LYS 115 lone 0 88 - 0 - HG LEU 70 - HB2 LYS 39 lone 0 66 - 0 - QE MET 121 - HB3 LYS 115 lone 0 75 - 0 - HB2 LYS 77 - HB3 LYS 40 lone 0 74 - 0 - QE MET 121 - HB2 LYS 115 lone 0 68 - 0 - HB3 LYS 77 - HB3 LYS 40 lone 0 73 - 0 - HB3 LYS 19 - HB3 LYS 40 lone 0 64 - 0 - HG LEU 127 - HB3 LYS 40 lone 0 49 - 0 - HG LEU 127 - HB3 LYS 115 lone 0 68 - 0 - QE MET 121 - HB2 LYS 39 lone 0 51 - 0 - HG LEU 70 - HB3 LYS 40 lone 0 71 - 0 - HG LEU 127 - HB2 LYS 115 lone 0 61 - 0 - HB2 ARG 105 - HB3 LYS 40 lone 0 52 - 0 - HB2 ARG 105 - HB2 LYS 39 lone 0 48 - 0 - QE MET 121 - HB3 LYS 40 lone 0 55 - 0 - HG LEU 127 - HB2 LYS 39 lone 0 46 - 0 - HG LEU 70 - HB3 LYS 39 lone 0 34 - 0 - QE MET 121 - HB3 LYS 39 lone 0 25 - 0 - HB2 ARG 105 - HB3 LYS 39 lone 0 24 - 0 - HG LEU 127 - HB3 LYS 39 lone 0 23 - 0 - Peak 7084 from cnoeabs.peaks (1.75, 1.93, 32.31 ppm; 2.88 A): 2 out of 96 assignments used, quality = 0.92: * HD3 LYS 123 + HB2 LYS 123 OK 89 100 - 89 - 3.8=42, 7114/2.9=20...(29) HD3 LYS 123 + HB2 LYS 65 OK 22 100 - 22 - 7129=4, 1.8/7083=3...(6) HD3 LYS 123 - HB3 LYS 65 OK 21 100 - 21 - 7129=4, 1.8/7083=3...(6) HD3 LYS 123 - HB3 LYS 115 OK 16 95 - 17 - 7129=3, 1.8/7083=2...(4) HB2 LEU 68 - HB2 LYS 65 OK 15 100 - 15 - 8125/3.0=6, ~8127=5...(4) HB2 LEU 68 - HB3 LYS 65 OK 15 100 - 15 - 8125/3.0=6, ~8127=5...(4) HD3 LYS 123 - HB2 LYS 39 OK 14 69 - 21 - 7129=4, 1.8/7119=3...(7) HG2 ARG 118 - HB3 LYS 115 OK 14 54 - 26 - ~11598=4, ~8264=4...(10) HD3 LYS 123 - HB2 LYS 115 OK 13 88 - 15 - 7129=3, 7129/1.8=2...(5) HG2 ARG 118 - HB2 LYS 115 OK 13 48 - 27 - ~11598=4, ~8264=4...(10) HB2 LEU 114 - HB3 LYS 115 OK 10 75 - 14 - 720/4.0=4, 3.9/10443=2 HB2 LEU 114 - HB2 LYS 65 poor 9 83 - 11 - 8125/3.0=3, ~8127=2, 4.3/1752=2 HB2 LEU 114 - HB3 LYS 65 poor 9 83 - 11 - 8125/3.0=3, ~8127=2, 4.3/1752=2 HB2 LEU 114 - HB2 LYS 115 poor 9 68 - 13 - 720/4.0=4, 3.9/10443=2 HG2 ARG 118 - HB3 LYS 65 poor 8 60 - 14 - 8125/3.0=3, ~10539=2...(6) HG2 ARG 118 - HB2 LYS 65 poor 8 61 - 14 - 8125/3.0=3, ~10539=2...(6) HD3 LYS 123 - HB3 LYS 39 poor 8 36 - 21 - 7129=3, 7129/1.8=3...(8) HB2 LEU 68 - HB3 LYS 115 lone 7 95 - 7 - ~10455=5, 7643/4.0=1 HB2 LEU 68 - HB2 LYS 115 lone 6 88 - 7 - ~10455=5, 7643/4.0=1 HB2 LEU 80 - HB3 LYS 65 lone 5 98 - 5 - HB2 LEU 80 - HB2 LYS 65 lone 5 98 - 5 - HB2 LEU 68 - HB2 LYS 123 lone 5 100 - 5 - 1815/3.7=1 HB2 LEU 80 - HB3 LYS 115 lone 5 92 - 5 - HB2 LEU 80 - HB2 LYS 115 lone 4 85 - 5 - HB3 LYS 49 - HB2 LYS 123 lone 4 97 - 4 - HG2 LYS 17 - HB2 LYS 123 lone 4 97 - 4 - HB2 LEU 80 - HB2 LYS 39 lone 3 66 - 5 - HG2 LYS 17 - HB3 LYS 115 lone 3 89 - 3 - HG2 LYS 17 - HB2 LYS 115 lone 3 82 - 3 - HB3 LYS 94 - HB2 LYS 65 lone 3 83 - 3 - HB3 LYS 94 - HB3 LYS 65 lone 3 83 - 3 - HB3 LYS 49 - HB2 LYS 65 lone 3 96 - 3 - HB3 LYS 49 - HB3 LYS 65 lone 2 96 - 3 - HB2 LEU 80 - HB2 LYS 123 lone 2 99 - 2 - HG3 ARG 105 - HB3 LYS 115 lone 2 93 - 2 - HB3 LEU 82 - HB2 LYS 65 lone 2 86 - 2 - HB3 LEU 82 - HB3 LYS 65 lone 2 86 - 2 - HB2 LEU 114 - HB2 LYS 123 lone 2 84 - 2 - HG3 ARG 105 - HB2 LYS 115 lone 2 86 - 2 - HB3 LYS 94 - HB2 LYS 123 lone 2 84 - 2 - HB3 LYS 49 - HB3 LYS 115 lone 2 89 - 2 - HG2 LYS 17 - HB3 LYS 40 lone 2 68 - 3 - HD3 LYS 123 - HB3 LYS 40 lone 2 74 - 2 - HG3 ARG 105 - HB2 LYS 123 lone 2 99 - 2 - HB3 LYS 49 - HB2 LYS 115 lone 2 82 - 2 - HG2 LYS 17 - HB3 LYS 65 lone 1 96 - 1 - HG2 LYS 17 - HB2 LYS 65 lone 1 96 - 1 - HB2 LEU 80 - HB3 LYS 39 lone 1 34 - 4 - HG3 ARG 105 - HB3 LYS 65 lone 1 99 - 1 - HG3 ARG 105 - HB2 LYS 65 lone 1 99 - 1 - HB3 LEU 82 - HB3 LYS 115 lone 1 78 - 1 - HB3 LEU 82 - HB2 LYS 123 lone 1 87 - 1 - HB3 LYS 94 - HB3 LYS 40 lone 1 55 - 2 - HB2 LEU 55 - HB2 LYS 123 lone 1 84 - 1 - HB3 LEU 82 - HB2 LYS 115 lone 1 70 - 1 - HB3 LYS 94 - HB3 LYS 115 lone 1 75 - 1 - HB2 LEU 55 - HB3 LYS 115 lone 1 75 - 1 - HB3 LYS 94 - HB2 LYS 115 lone 1 68 - 1 - HG12 ILE 18 - HB2 LYS 123 lone 1 70 - 1 - HB2 LEU 55 - HB2 LYS 115 lone 1 68 - 1 - HB2 LEU 55 - HB2 LYS 65 lone 1 83 - 1 - HB2 LEU 55 - HB3 LYS 65 lone 1 83 - 1 - HG2 LYS 17 - HB2 LYS 39 lone 1 63 - 1 - HG12 ILE 18 - HB3 LYS 115 lone 0 61 - 1 - HB3 LEU 82 - HB2 LYS 39 lone 0 53 - 1 - HG12 ILE 18 - HB3 LYS 65 lone 0 68 - 1 - HG12 ILE 18 - HB2 LYS 65 lone 0 69 - 1 - HG12 ILE 18 - HB2 LYS 115 lone 0 55 - 1 - HB2 LEU 114 - HB2 LYS 39 lone 0 51 - 1 - HB3 LYS 94 - HB2 LYS 39 lone 0 51 - 1 - HG2 ARG 118 - HB2 LYS 123 lone 0 61 - 1 - HB2 LEU 80 - HB3 LYS 40 lone 0 71 - 0 - HB2 LEU 68 - HB3 LYS 40 lone 0 73 - 0 - HB2 LEU 114 - HB3 LYS 40 lone 0 55 - 1 - HB2 LEU 68 - HB2 LYS 39 lone 0 69 - 0 - HB3 LYS 49 - HB3 LYS 40 lone 0 68 - 0 - HG3 ARG 105 - HB3 LYS 40 lone 0 72 - 0 - HG3 ARG 105 - HB2 LYS 39 lone 0 67 - 0 - HB2 LEU 55 - HB3 LYS 40 lone 0 55 - 1 - HB3 LYS 49 - HB2 LYS 39 lone 0 63 - 0 - HB3 LEU 82 - HB3 LYS 40 lone 0 57 - 0 - HB2 LEU 55 - HB2 LYS 39 lone 0 51 - 0 - HB3 LEU 82 - HB3 LYS 39 lone 0 27 - 1 - HG12 ILE 18 - HB2 LYS 39 lone 0 40 - 0 - HB2 LEU 114 - HB3 LYS 39 lone 0 25 - 1 - HB3 LYS 94 - HB3 LYS 39 lone 0 25 - 1 - HG2 LYS 17 - HB3 LYS 39 lone 0 33 - 0 - HG3 ARG 105 - HB3 LYS 39 lone 0 35 - 0 - HB2 LEU 68 - HB3 LYS 39 lone 0 36 - 0 - HB3 LYS 49 - HB3 LYS 39 lone 0 33 - 0 - HG2 ARG 118 - HB3 LYS 40 lone 0 38 - 0 - HG12 ILE 18 - HB3 LYS 40 lone 0 44 - 0 - HG2 ARG 118 - HB2 LYS 39 lone 0 35 - 0 - HB2 LEU 55 - HB3 LYS 39 lone 0 25 - 0 - HG12 ILE 18 - HB3 LYS 39 lone 0 20 - 0 - HG2 ARG 118 - HB3 LYS 39 lone 0 17 - 0 - Peak 7085 from cnoeabs.peaks (3.01, 1.93, 32.31 ppm; 4.82 A): 2 out of 64 assignments used, quality = 1.00: * HE2 LYS 123 + HB2 LYS 123 OK 100 100 - 100 - 5.1=86, ~7093=24...(29) HE3 LYS 123 + HB2 LYS 123 OK 99 99 - 100 - 5.1=86, ~7093=24...(29) HE2 LYS 123 - HB2 LYS 65 OK 35 100 - 35 - 3.0/7129=5, 3.0/7119=5...(16) HE3 LYS 123 - HB2 LYS 65 OK 35 99 - 35 - 3.0/7129=5, 3.0/7119=5...(16) HE2 LYS 123 - HB3 LYS 65 OK 32 100 - 32 - 3.0/7129=4, 3.0/7119=4...(14) HE3 LYS 123 - HB3 LYS 65 OK 31 99 - 32 - 3.0/7129=4, 3.0/7119=4...(14) HE2 LYS 123 - HB2 LYS 39 OK 28 69 - 41 - 3.0/7119=4, 3.0/7129=4...(25) HE2 LYS 123 - HB3 LYS 115 OK 27 95 - 29 - 3.0/7129=4, 3.0/7119=3...(13) HE3 LYS 123 - HB2 LYS 39 OK 27 67 - 41 - 3.0/7119=4, 3.0/7129=4...(25) HE3 LYS 123 - HB3 LYS 115 OK 27 93 - 29 - 3.0/7129=4, 3.0/7119=3...(13) HE2 LYS 123 - HB2 LYS 115 OK 21 88 - 24 - 3.0/7119=3, 3.0/7129=3...(12) HE3 LYS 123 - HB2 LYS 115 OK 21 86 - 24 - 3.0/7119=3, 3.0/7129=3...(12) HE2 LYS 49 - HB2 LYS 123 OK 17 100 - 17 - 7115/2.9=2, 7141/2.9=1...(7) HE3 LYS 49 - HB2 LYS 123 OK 17 100 - 17 - 7115/2.9=2, 7141/2.9=1...(7) HE2 LYS 123 - HB3 LYS 39 OK 15 36 - 41 - 3.0/7119=4, 3.0/7129=3...(26) HE3 LYS 123 - HB3 LYS 39 OK 14 35 - 41 - 3.0/7119=4, 3.0/7129=3...(26) HE2 LYS 94 - HB3 LYS 65 OK 13 97 - 13 - 6.9/10098=1 HE2 LYS 94 - HB2 LYS 65 OK 13 98 - 13 - 6.9/10098=1 HE2 LYS 94 - HB3 LYS 115 lone 6 91 - 6 - HE2 LYS 94 - HB2 LYS 115 lone 5 83 - 6 - HE2 LYS 94 - HB2 LYS 123 lone 5 98 - 5 - HE2 LYS 49 - HB2 LYS 65 lone 4 100 - 4 - HE3 LYS 49 - HB2 LYS 65 lone 4 100 - 4 - HE2 LYS 49 - HB3 LYS 65 lone 4 100 - 4 - HE3 LYS 49 - HB3 LYS 65 lone 4 100 - 4 - HE2 LYS 49 - HB3 LYS 115 lone 3 94 - 3 - HE3 LYS 49 - HB3 LYS 115 lone 3 94 - 3 - HE2 LYS 123 - HB3 LYS 40 lone 3 74 - 4 - HE2 LYS 49 - HB2 LYS 115 lone 3 87 - 3 - HE3 LYS 49 - HB2 LYS 115 lone 3 87 - 3 - HE3 LYS 123 - HB3 LYS 40 lone 3 72 - 4 - HE3 LYS 49 - HB2 LYS 39 lone 3 68 - 4 - HE2 LYS 49 - HB2 LYS 39 lone 3 68 - 4 - HE2 LYS 94 - HB2 LYS 39 lone 2 65 - 4 - HE2 LYS 94 - HB3 LYS 40 lone 2 69 - 3 - 6.9/10098=1 HE3 LYS 49 - HB3 LYS 39 lone 1 36 - 4 - HE2 LYS 49 - HB3 LYS 39 lone 1 36 - 4 - HE2 LYS 94 - HB3 LYS 39 lone 1 33 - 4 - HB2 PHE 51 - HB2 LYS 65 lone 1 80 - 1 - HB2 PHE 51 - HB3 LYS 65 lone 1 80 - 1 - HB2 ASN 11 - HB2 LYS 123 lone 1 81 - 1 - HB2 PHE 51 - HB3 LYS 115 lone 1 72 - 1 - HB2 ASN 59 - HB2 LYS 123 lone 1 98 - 1 - HB2 ASN 11 - HB3 LYS 115 lone 1 72 - 1 - HB2 ASN 59 - HB2 LYS 65 lone 1 98 - 1 - HB2 ASN 59 - HB3 LYS 65 lone 1 97 - 1 - HB2 PHE 51 - HB2 LYS 115 lone 1 64 - 1 - HB2 ASN 11 - HB2 LYS 39 lone 1 48 - 2 - HB2 ASN 11 - HB2 LYS 65 lone 1 80 - 1 - HB2 ASN 11 - HB3 LYS 65 lone 1 80 - 1 - HB2 ASN 11 - HB2 LYS 115 lone 1 64 - 1 - HB2 ASN 59 - HB3 LYS 115 lone 1 91 - 1 - HB2 PHE 51 - HB2 LYS 123 lone 1 81 - 1 - HE3 LYS 49 - HB3 LYS 40 lone 1 73 - 1 - HE2 LYS 49 - HB3 LYS 40 lone 1 73 - 1 - HB2 ASN 59 - HB2 LYS 115 lone 1 83 - 1 - HB2 PHE 51 - HB3 LYS 40 lone 1 52 - 1 - HB2 ASN 59 - HB3 LYS 40 lone 1 69 - 1 - HB2 ASN 59 - HB2 LYS 39 lone 1 65 - 1 - HB2 ASN 11 - HB3 LYS 40 lone 1 52 - 1 - HB2 PHE 51 - HB2 LYS 39 lone 1 48 - 1 - HB2 ASN 11 - HB3 LYS 39 lone 0 24 - 2 - HB2 ASN 59 - HB3 LYS 39 lone 0 33 - 1 - HB2 PHE 51 - HB3 LYS 39 lone 0 24 - 1 - Peak 7086 from cnoeabs.peaks (3.01, 1.93, 32.31 ppm; 4.03 A): 2 out of 64 assignments used, quality = 1.00: * HE3 LYS 123 + HB2 LYS 123 OK 96 100 - 96 - 5.1=50, 3.0/7083=19...(29) HE2 LYS 123 + HB2 LYS 123 OK 95 99 - 96 - 5.1=50, 3.0/7083=19...(29) HE3 LYS 123 - HB2 LYS 65 OK 27 100 - 27 - 3.0/7129=4, 3.0/7119=4...(12) HE2 LYS 123 - HB2 LYS 65 OK 27 99 - 27 - 3.0/7129=4, 3.0/7119=4...(12) HE3 LYS 123 - HB3 LYS 65 OK 24 100 - 25 - 3.0/7129=4, 3.0/7119=3...(12) HE2 LYS 123 - HB3 LYS 65 OK 24 99 - 25 - 3.0/7129=4, 3.0/7119=3...(12) HE3 LYS 123 - HB2 LYS 39 OK 22 69 - 32 - 3.0/7119=4, 3.0/7129=3...(18) HE3 LYS 123 - HB3 LYS 115 OK 21 95 - 22 - 3.0/7129=3, 3.0/7119=3...(11) HE2 LYS 123 - HB2 LYS 39 OK 21 67 - 32 - 3.0/7119=4, 3.0/7129=3...(18) HE2 LYS 123 - HB3 LYS 115 OK 21 93 - 22 - 3.0/7129=3, 3.0/7119=3...(10) HE3 LYS 123 - HB2 LYS 115 OK 16 88 - 18 - 3.0/7129=2, 3.0/7119=2...(7) HE2 LYS 123 - HB2 LYS 115 OK 16 86 - 18 - 3.0/7129=2, 3.0/7119=2...(8) HE2 LYS 49 - HB2 LYS 123 OK 13 98 - 13 - 7115/2.9=1, 7141/2.9=1 HE3 LYS 49 - HB2 LYS 123 OK 13 98 - 13 - 7115/2.9=1, 7141/2.9=1 HE3 LYS 123 - HB3 LYS 39 OK 11 36 - 32 - 3.0/7119=3, 3.0/7129=3...(21) HE2 LYS 123 - HB3 LYS 39 OK 11 35 - 32 - 3.0/7119=3, 3.0/7129=3...(21) HE2 LYS 94 - HB3 LYS 65 lone 9 91 - 9 - HE2 LYS 94 - HB2 LYS 65 lone 9 91 - 9 - HE2 LYS 94 - HB3 LYS 115 lone 4 83 - 4 - HE2 LYS 94 - HB2 LYS 123 lone 3 92 - 4 - HE2 LYS 94 - HB2 LYS 115 lone 3 76 - 4 - HE2 LYS 49 - HB2 LYS 65 lone 3 98 - 3 - HE3 LYS 49 - HB2 LYS 65 lone 3 98 - 3 - HE3 LYS 49 - HB3 LYS 65 lone 3 97 - 3 - HE2 LYS 49 - HB3 LYS 65 lone 3 97 - 3 - HE3 LYS 49 - HB3 LYS 115 lone 2 91 - 2 - HE2 LYS 49 - HB3 LYS 115 lone 2 91 - 2 - HE3 LYS 123 - HB3 LYS 40 lone 2 74 - 3 - HE2 LYS 123 - HB3 LYS 40 lone 2 72 - 3 - HE3 LYS 49 - HB2 LYS 115 lone 2 83 - 2 - HE2 LYS 49 - HB2 LYS 115 lone 2 83 - 2 - HE2 LYS 49 - HB2 LYS 39 lone 2 65 - 3 - HE3 LYS 49 - HB2 LYS 39 lone 2 65 - 3 - HE2 LYS 94 - HB2 LYS 39 lone 1 58 - 2 - HE2 LYS 94 - HB3 LYS 40 lone 1 62 - 2 - HE2 LYS 49 - HB3 LYS 39 lone 1 33 - 3 - HE3 LYS 49 - HB3 LYS 39 lone 1 33 - 3 - HE2 LYS 94 - HB3 LYS 39 lone 1 29 - 3 - HB2 ASN 59 - HB2 LYS 123 lone 1 100 - 1 - HB2 ASN 59 - HB2 LYS 65 lone 1 100 - 1 - HB2 ASN 59 - HB3 LYS 65 lone 1 100 - 1 - HB2 PHE 51 - HB2 LYS 65 lone 1 65 - 1 - HB2 PHE 51 - HB3 LYS 65 lone 1 64 - 1 - HB2 ASN 59 - HB3 LYS 115 lone 0 94 - 1 - HB2 ASN 11 - HB2 LYS 123 lone 0 65 - 1 - HB2 PHE 51 - HB3 LYS 115 lone 0 58 - 1 - HB2 ASN 59 - HB2 LYS 115 lone 0 87 - 1 - HE3 LYS 49 - HB3 LYS 40 lone 0 69 - 1 - HE2 LYS 49 - HB3 LYS 40 lone 0 69 - 1 - HB2 PHE 51 - HB2 LYS 115 lone 0 51 - 1 - HB2 ASN 59 - HB2 LYS 39 lone 0 68 - 1 - HB2 ASN 11 - HB3 LYS 115 lone 0 58 - 1 - HB2 ASN 59 - HB3 LYS 40 lone 0 73 - 1 - HB2 ASN 11 - HB2 LYS 65 lone 0 65 - 1 - HB2 ASN 11 - HB3 LYS 65 lone 0 64 - 1 - HB2 ASN 11 - HB2 LYS 39 lone 0 38 - 1 - HB2 PHE 51 - HB2 LYS 123 lone 0 65 - 1 - HB2 ASN 11 - HB2 LYS 115 lone 0 51 - 1 - HB2 PHE 51 - HB3 LYS 40 lone 0 41 - 1 - HB2 ASN 11 - HB3 LYS 40 lone 0 41 - 1 - HB2 PHE 51 - HB2 LYS 39 lone 0 38 - 1 - HB2 ASN 59 - HB3 LYS 39 lone 0 36 - 1 - HB2 ASN 11 - HB3 LYS 39 lone 0 18 - 1 - HB2 PHE 51 - HB3 LYS 39 lone 0 18 - 1 - Peak 7087 from cnoeabs.peaks (8.40, 1.91, 32.31 ppm; 4.02 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 123 + HB3 LYS 123 OK 100 100 - 100 - 3.7=100 Peak 7088 from cnoeabs.peaks (4.03, 1.91, 32.31 ppm; 2.84 A): 1 out of 72 assignments used, quality = 0.97: * HA LYS 123 + HB3 LYS 123 OK 97 100 - 97 - 2.9=93, 7069/1.8=10...(18) HA PHE 120 - HB3 LYS 123 OK 22 100 - 22 - 8296/3.7=6, 8297/1.8=4...(7) HA LYS 40 - HB2 LYS 96 OK 13 42 - 30 - 8064=7, 3650/1.8=4...(10) HA LYS 123 - HB2 LYS 44 poor 9 72 - 13 - 7070=2, 7070/1.8=1...(5) HA LYS 123 - HB3 LYS 44 poor 8 61 - 13 - 7070=2, 7070/1.8=1...(5) HA LYS 40 - HB2 LYS 44 poor 7 71 - 11 - 8064=3, 8064/1.8=2, ~8044=1 HA GLU 66 - HB3 LYS 123 lone 7 100 - 7 - 7070=1 HA LYS 40 - HB3 LYS 44 poor 6 60 - 11 - 8064=3, 8064/1.8=2, ~8044=1 HA GLU 66 - HB2 LYS 115 poor 6 55 - 10 - ~7625=1, 7070=1, ~402=1 HA GLU 119 - HB2 LYS 115 lone 4 55 - 8 - ~8266=5, ~2217=2 HA LYS 40 - HB3 LYS 123 lone 4 100 - 4 - 8064=1 HA LYS 123 - HB2 LYS 115 lone 3 55 - 5 - HA LYS 123 - HB2 LYS 96 lone 3 43 - 6 - 8202/1.8=1 HB2 SER 126 - HB3 LYS 123 lone 2 100 - 2 - 4.0/10639=2 HB3 SER 126 - HB3 LYS 123 lone 2 99 - 2 - 4.0/10639=2 HA GLU 119 - HB3 LYS 123 lone 2 100 - 2 - HA LYS 123 - HB2 LYS 49 lone 1 47 - 3 - HA GLU 92 - HB3 LYS 123 lone 1 97 - 1 - HA PHE 120 - HB2 LYS 44 lone 1 71 - 2 - HA GLU 66 - HB2 LYS 44 lone 1 72 - 2 - HA GLU 13 - HB3 LYS 123 lone 1 100 - 1 - HA LYS 40 - HB2 LYS 115 lone 1 54 - 2 - HA PHE 120 - HB3 LYS 44 lone 1 60 - 2 - HA GLU 66 - HB3 LYS 44 lone 1 61 - 2 - HA GLU 92 - HB2 LYS 44 lone 1 67 - 1 - HA PHE 120 - HB2 LYS 115 lone 1 54 - 2 - HA GLU 66 - HB2 LYS 96 lone 1 43 - 2 - HA GLU 92 - HB3 LYS 44 lone 1 56 - 1 - HA GLU 92 - HB2 LYS 96 lone 1 39 - 2 - HA GLU 13 - HB2 LYS 115 lone 1 55 - 1 - HA GLU 119 - HB2 LYS 44 lone 1 72 - 1 - HA3 GLY 75 - HB3 LYS 123 lone 1 84 - 1 - HA GLU 87 - HB3 LYS 123 lone 1 92 - 1 - HA GLU 119 - HB3 LYS 44 lone 1 61 - 1 - HA GLU 13 - HB2 LYS 44 lone 0 72 - 1 - HB2 SER 126 - HB2 LYS 44 lone 0 72 - 1 - HA3 GLY 75 - HB2 LYS 115 lone 0 40 - 1 - HB3 SER 126 - HB2 LYS 44 lone 0 70 - 1 - HA GLU 13 - HB3 LYS 44 lone 0 61 - 1 - HB2 SER 126 - HB3 LYS 44 lone 0 61 - 0 - HB3 SER 126 - HB3 LYS 44 lone 0 59 - 0 - HA GLU 87 - HB2 LYS 115 lone 0 46 - 1 - HA PHE 120 - HB2 LYS 96 lone 0 42 - 1 - HA GLU 119 - HB2 LYS 96 lone 0 43 - 1 - HB2 SER 126 - HB2 LYS 96 lone 0 43 - 1 - HA GLU 87 - HB2 LYS 44 lone 0 61 - 0 - HB3 SER 126 - HB2 LYS 96 lone 0 41 - 1 - HA GLU 13 - HB2 LYS 96 lone 0 43 - 0 - HA PHE 120 - HB2 LYS 49 lone 0 46 - 0 - HA3 GLY 101 - HB3 LYS 123 lone 0 73 - 0 - HA3 GLY 75 - HB2 LYS 44 lone 0 54 - 0 - HA GLU 87 - HB3 LYS 44 lone 0 51 - 0 - HB2 SER 126 - HB2 LYS 115 lone 0 55 - 0 - HA GLU 92 - HB2 LYS 115 lone 0 50 - 0 - HB3 SER 126 - HB2 LYS 115 lone 0 53 - 0 - HB2 SER 126 - HB2 LYS 49 lone 0 46 - 0 - HA3 GLY 75 - HB2 LYS 49 lone 0 34 - 0 - HB3 SER 126 - HB2 LYS 49 lone 0 45 - 0 - HA LYS 40 - HB2 LYS 49 lone 0 46 - 0 - HA3 GLY 75 - HB3 LYS 44 lone 0 45 - 0 - HA GLU 66 - HB2 LYS 49 lone 0 47 - 0 - HA GLU 119 - HB2 LYS 49 lone 0 46 - 0 - HA GLU 92 - HB2 LYS 49 lone 0 43 - 0 - HA GLU 13 - HB2 LYS 49 lone 0 47 - 0 - HA3 GLY 101 - HB2 LYS 115 lone 0 34 - 0 - HA GLU 87 - HB2 LYS 96 lone 0 35 - 0 - HA3 GLY 101 - HB2 LYS 44 lone 0 46 - 0 - HA GLU 87 - HB2 LYS 49 lone 0 39 - 0 - HA3 GLY 75 - HB2 LYS 96 lone 0 31 - 0 - HA3 GLY 101 - HB3 LYS 44 lone 0 38 - 0 - HA3 GLY 101 - HB2 LYS 49 lone 0 28 - 0 - HA3 GLY 101 - HB2 LYS 96 lone 0 26 - 0 - Peak 7089 from cnoeabs.peaks (1.93, 1.91, 32.31 ppm; 2.40 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LYS 123 + HB3 LYS 123 OK 100 100 - 100 - 1.8=100 HB3 LYS 115 + HB2 LYS 115 OK 55 55 - 100 - 1.8=100 Peak 7090 from cnoeabs.peaks (1.91, 1.91, 32.31 ppm; diagonal): 3 out of 6 assignments used, quality = 1.00: * HB3 LYS 123 + HB3 LYS 123 OK 100 100 - 100 HB2 LYS 44 + HB2 LYS 44 OK 71 71 - 100 HB3 LYS 44 + HB3 LYS 44 OK 55 55 - 100 HB2 LYS 115 - HB2 LYS 115 OK 38 38 - 100 HB2 LYS 96 - HB2 LYS 96 OK 31 31 - 100 HB2 LYS 49 - HB2 LYS 49 OK 30 30 - 100 Peak 7091 from cnoeabs.peaks (1.57, 1.91, 32.31 ppm; 2.82 A): 3 out of 84 assignments used, quality = 0.99: * HG2 LYS 123 + HB3 LYS 123 OK 97 100 - 97 - 2.9=88, 2.9/7093=16...(37) HG2 LYS 44 + HB2 LYS 44 OK 63 67 - 95 - 2.9=88, 1286/4.0=7...(32) HG2 LYS 44 + HB3 LYS 44 OK 53 56 - 95 - 2.9=88, 1286/4.0=7...(32) HG3 LYS 96 - HB2 LYS 96 OK 40 41 - 97 - 2.9=93, 6076/3.0=9...(28) HG2 LYS 115 - HB2 LYS 115 OK 35 38 - 93 - 3.0=87, 6703/3.0=6...(17) HG3 LYS 96 - HB2 LYS 44 OK 24 70 - 35 - 1286/4.0=3, 3904/3.0=3...(13) HG3 LYS 96 - HB3 LYS 44 OK 20 59 - 34 - 1286/4.0=3, 3904/3.0=3...(12) HG2 LYS 44 - HB2 LYS 96 OK 13 39 - 34 - 6076/3.0=4, 1640/4.1=3...(10) HG2 LYS 123 - HB2 LYS 44 OK 13 72 - 18 - 2.9/7120=3, 2.9/7130=2...(5) HG12 ILE 116 - HB2 LYS 115 OK 12 47 - 25 - 1763/4.4=9, ~11193=4...(11) HG2 LYS 123 - HB3 LYS 44 OK 11 61 - 18 - 2.9/7120=2, 2.9/7130=2...(6) HG2 LYS 44 - HB3 LYS 123 lone 8 97 - 9 - 1812/3.7=1 HG2 LYS 123 - HB2 LYS 115 lone 5 55 - 9 - 2.9/7120=1, 2.9/7130=1 HG12 ILE 3 - HB3 LYS 123 lone 5 81 - 6 - 2.1/10654=3, ~10654=1, ~9015=1 HG3 LYS 96 - HB3 LYS 123 lone 4 99 - 4 - HB3 LEU 70 - HB3 LYS 123 lone 3 99 - 4 - HG LEU 68 - HB2 LYS 115 lone 3 40 - 8 - ~10455=7 HG2 LYS 115 - HB3 LYS 123 lone 3 81 - 4 - HG2 LYS 123 - HB2 LYS 96 lone 3 43 - 6 - HG LEU 68 - HB3 LYS 123 lone 2 84 - 2 - HG2 LYS 123 - HB2 LYS 49 lone 2 47 - 4 - 7104/1.8=1 HB3 LEU 70 - HB2 LYS 44 lone 1 70 - 2 - HG12 ILE 3 - HB2 LYS 115 lone 1 38 - 2 - HB3 LEU 70 - HB3 LYS 44 lone 1 59 - 2 - HG LEU 68 - HB2 LYS 44 lone 1 54 - 1 - HG3 LYS 96 - HB2 LYS 115 lone 1 53 - 1 - HB3 LEU 70 - HB2 LYS 115 lone 1 53 - 1 - HG LEU 68 - HB3 LYS 44 lone 1 45 - 2 - HB3 LEU 70 - HB2 LYS 96 lone 1 41 - 2 - HG12 ILE 116 - HB3 LYS 123 lone 1 94 - 1 - HG12 ILE 116 - HB2 LYS 44 lone 1 63 - 1 - HG2 LYS 115 - HB2 LYS 49 lone 1 32 - 2 - HB VAL 78 - HB2 LYS 96 lone 1 22 - 3 - HD3 LYS 106 - HB2 LYS 96 lone 1 31 - 2 - HG12 ILE 116 - HB3 LYS 44 lone 0 53 - 1 - HD2 LYS 106 - HB2 LYS 96 lone 0 29 - 2 - HD3 LYS 106 - HB2 LYS 115 lone 0 40 - 1 - HG LEU 55 - HB3 LYS 123 lone 0 94 - 0 - HD2 LYS 106 - HB2 LYS 115 lone 0 38 - 1 - HD3 LYS 106 - HB3 LYS 123 lone 0 84 - 0 - HG2 LYS 115 - HB2 LYS 96 lone 0 29 - 1 - HD2 LYS 106 - HB3 LYS 123 lone 0 81 - 0 - HB VAL 78 - HB2 LYS 44 lone 0 40 - 1 - HG LEU 55 - HB2 LYS 115 lone 0 47 - 1 - HD3 LYS 106 - HB2 LYS 44 lone 0 54 - 1 - HD2 LYS 106 - HB2 LYS 44 lone 0 51 - 1 - HB VAL 78 - HB3 LYS 44 lone 0 33 - 1 - HG12 ILE 116 - HB2 LYS 96 lone 0 37 - 1 - HD3 LYS 19 - HB3 LYS 123 lone 0 61 - 0 - HD2 LYS 19 - HB3 LYS 123 lone 0 61 - 0 - HD3 LYS 106 - HB3 LYS 44 lone 0 45 - 1 - HG LEU 55 - HB2 LYS 44 lone 0 63 - 0 - HG12 ILE 3 - HB2 LYS 44 lone 0 51 - 0 - HG2 LYS 44 - HB2 LYS 115 lone 0 50 - 0 - HD2 LYS 106 - HB3 LYS 44 lone 0 43 - 1 - HG LEU 68 - HB2 LYS 96 lone 0 31 - 1 - HG2 LYS 115 - HB2 LYS 44 lone 0 51 - 0 - HG LEU 55 - HB2 LYS 96 lone 0 37 - 1 - HG3 LYS 96 - HB2 LYS 49 lone 0 45 - 0 - HB VAL 78 - HB3 LYS 123 lone 0 65 - 0 - HG LEU 55 - HB3 LYS 44 lone 0 53 - 0 - HG12 ILE 3 - HB3 LYS 44 lone 0 43 - 0 - HG12 ILE 3 - HB2 LYS 96 lone 0 29 - 1 - HG2 LYS 115 - HB3 LYS 44 lone 0 43 - 0 - HD2 LYS 19 - HB2 LYS 44 lone 0 37 - 0 - HD3 LYS 19 - HB2 LYS 44 lone 0 37 - 0 - HB VAL 78 - HB2 LYS 115 lone 0 29 - 1 - HG2 LYS 44 - HB2 LYS 49 lone 0 43 - 0 - HB3 LEU 70 - HB2 LYS 49 lone 0 45 - 0 - HD2 LYS 19 - HB3 LYS 44 lone 0 31 - 0 - HD3 LYS 19 - HB3 LYS 44 lone 0 31 - 0 - HG LEU 68 - HB2 LYS 49 lone 0 34 - 0 - HG LEU 55 - HB2 LYS 49 lone 0 40 - 0 - HG12 ILE 116 - HB2 LYS 49 lone 0 40 - 0 - HD2 LYS 19 - HB2 LYS 115 lone 0 27 - 0 - HD3 LYS 19 - HB2 LYS 115 lone 0 27 - 0 - HD3 LYS 106 - HB2 LYS 49 lone 0 34 - 0 - HB VAL 78 - HB2 LYS 49 lone 0 24 - 0 - HD2 LYS 106 - HB2 LYS 49 lone 0 32 - 0 - HG12 ILE 3 - HB2 LYS 49 lone 0 32 - 0 - HD3 LYS 19 - HB2 LYS 96 lone 0 21 - 0 - HD2 LYS 19 - HB2 LYS 96 lone 0 21 - 0 - HD2 LYS 19 - HB2 LYS 49 lone 0 23 - 0 - HD3 LYS 19 - HB2 LYS 49 lone 0 23 - 0 - Peak 7092 from cnoeabs.peaks (1.70, 1.91, 32.31 ppm; 2.66 A): 5 out of 144 assignments used, quality = 1.00: * HG3 LYS 123 + HB3 LYS 123 OK 91 100 - 91 - 2.9=74, 2.9/7093=15...(29) HD2 LYS 44 + HB2 LYS 44 OK 57 72 - 79 - 3.7=38, 3954/2.9=6...(39) HD3 LYS 44 + HB2 LYS 44 OK 56 71 - 79 - 3.7=38, 3954/2.9=6...(39) HD2 LYS 44 + HB3 LYS 44 OK 48 61 - 78 - 3.7=38, 3954/2.9=6...(38) HD3 LYS 44 + HB3 LYS 44 OK 47 60 - 79 - 3.7=38, 3954/2.9=6...(38) HD3 LYS 96 - HB2 LYS 96 OK 20 26 - 79 - 3.4=46, ~6097=4, ~6098=4...(36) HD2 LYS 44 - HB2 LYS 96 OK 18 43 - 42 - 3952=3, 3954/2.9=2...(15) HD3 LYS 44 - HB2 LYS 96 OK 18 42 - 43 - 3952=3, 3954/2.9=2...(15) HD2 LYS 96 - HB2 LYS 96 OK 18 22 - 79 - 3.4=46, ~6097=4...(37) HD3 LYS 96 - HB2 LYS 44 OK 16 46 - 36 - 3906/3.0=1, ~3905=1...(4) HD2 LYS 96 - HB2 LYS 44 OK 14 40 - 35 - ~3905=1, 6135/2.9=1, 3.0/7091=1 HD3 LYS 96 - HB3 LYS 44 OK 13 38 - 35 - 3906/3.0=1, ~3905=1, 6135/2.9=1 HD2 LYS 96 - HB3 LYS 44 OK 11 33 - 35 - ~3905=1, 6135/2.9=1 HD2 LYS 44 - HB3 LYS 123 OK 10 100 - 11 - HD3 LYS 44 - HB3 LYS 123 OK 10 99 - 11 - HG3 LYS 123 - HB2 LYS 44 OK 10 72 - 14 - 2.9/7120=2, 2.9/7130=2, ~7120=1 HG3 LYS 123 - HB3 LYS 44 poor 9 61 - 14 - 2.9/7120=2, 2.9/7130=2, ~7120=1 HD3 LYS 39 - HB2 LYS 44 poor 7 68 - 11 - HD2 LYS 39 - HB2 LYS 44 poor 7 67 - 11 - HD3 LYS 39 - HB3 LYS 123 lone 7 98 - 7 - HD2 LYS 39 - HB3 LYS 123 lone 7 97 - 7 - HG3 LYS 39 - HB3 LYS 123 lone 6 100 - 6 - 7114/3.8=1, 7122/3.8=1 HD3 LYS 39 - HB3 LYS 44 poor 6 58 - 10 - HD2 LYS 39 - HB3 LYS 44 poor 6 56 - 10 - HG12 ILE 71 - HB3 LYS 123 lone 5 99 - 6 - ~10612=2 HG3 LYS 39 - HB2 LYS 44 lone 5 72 - 7 - HG3 LYS 39 - HB2 LYS 96 poor 4 43 - 10 - 7476/4.1=2, 3598/4.6=2 HD3 LYS 43 - HB2 LYS 44 lone 4 49 - 9 - HG3 LYS 39 - HB3 LYS 44 lone 4 61 - 7 - HD2 LYS 20 - HB2 LYS 96 poor 4 34 - 12 - HD3 LYS 16 - HB3 LYS 123 lone 4 92 - 4 - HD3 LYS 20 - HB2 LYS 96 poor 4 32 - 12 - HD2 LYS 73 - HB2 LYS 44 lone 4 51 - 7 - HD3 LYS 39 - HB2 LYS 96 lone 4 40 - 9 - HG3 LYS 123 - HB2 LYS 115 lone 4 55 - 7 - 2.9/7120=1, 2.9/7130=1 HD2 LYS 39 - HB2 LYS 96 lone 4 39 - 9 - HD2 LYS 73 - HB2 LYS 96 poor 4 29 - 12 - HD3 LYS 73 - HB2 LYS 44 lone 4 49 - 7 - HD2 LYS 16 - HB3 LYS 123 lone 3 84 - 4 - HD3 LYS 73 - HB2 LYS 96 poor 3 28 - 12 - HD3 LYS 43 - HB3 LYS 44 lone 3 40 - 8 - HD2 LYS 73 - HB3 LYS 44 lone 3 43 - 7 - HD3 LYS 43 - HB2 LYS 96 poor 3 28 - 10 - HD3 LYS 96 - HB3 LYS 123 lone 3 73 - 4 - HD3 LYS 73 - HB3 LYS 44 lone 3 40 - 7 - HD2 LYS 96 - HB3 LYS 123 lone 2 65 - 3 - HG3 LYS 123 - HB2 LYS 96 lone 2 43 - 5 - HD2 LYS 17 - HB3 LYS 123 lone 2 65 - 3 - HD2 LYS 20 - HB2 LYS 44 lone 2 59 - 3 - HD2 LYS 40 - HB2 LYS 96 lone 2 24 - 8 - HD3 LYS 20 - HB2 LYS 44 lone 2 56 - 3 - HD3 LYS 40 - HB2 LYS 96 lone 2 22 - 8 - HG3 LYS 123 - HB2 LYS 49 lone 2 47 - 3 - HD2 LYS 20 - HB3 LYS 44 lone 1 49 - 3 - HD3 LYS 16 - HB2 LYS 115 lone 1 46 - 3 - HG LEU 74 - HB3 LYS 123 lone 1 99 - 1 - HD3 LYS 20 - HB3 LYS 44 lone 1 47 - 3 - HD2 LYS 16 - HB2 LYS 115 lone 1 40 - 3 - HD2 LYS 40 - HB3 LYS 123 lone 1 70 - 2 - HD3 LYS 40 - HB3 LYS 123 lone 1 65 - 1 - HD3 LYS 16 - HB2 LYS 44 lone 1 61 - 2 - HD3 LYS 16 - HB2 LYS 96 lone 1 35 - 3 - HD3 LYS 43 - HB3 LYS 123 lone 1 77 - 1 - HD2 LYS 16 - HB2 LYS 44 lone 1 54 - 2 - HG12 ILE 71 - HB2 LYS 96 lone 1 41 - 2 - HD2 LYS 20 - HB3 LYS 123 lone 1 90 - 1 - HD2 LYS 16 - HB2 LYS 96 lone 1 31 - 3 - HG12 ILE 71 - HB2 LYS 44 lone 1 70 - 1 - HD3 LYS 16 - HB3 LYS 44 lone 1 51 - 2 - HD3 LYS 20 - HB3 LYS 123 lone 1 87 - 1 - HD2 LYS 17 - HB2 LYS 115 lone 1 29 - 3 - HD2 LYS 16 - HB3 LYS 44 lone 1 45 - 2 - HG12 ILE 71 - HB3 LYS 44 lone 1 59 - 1 - HD2 LYS 40 - HB2 LYS 44 lone 1 43 - 2 - HG12 ILE 71 - HB2 LYS 115 lone 1 53 - 1 - HD2 LYS 73 - HB3 LYS 123 lone 1 81 - 1 - HD3 LYS 73 - HB3 LYS 123 lone 1 77 - 1 - HD2 LYS 40 - HB3 LYS 44 lone 1 35 - 2 - HD3 LYS 40 - HB2 LYS 44 lone 1 40 - 1 - HD2 LYS 17 - HB2 LYS 44 lone 0 40 - 1 - HD3 LYS 39 - HB2 LYS 115 lone 0 52 - 1 - HD2 LYS 39 - HB2 LYS 115 lone 0 50 - 1 - HD3 LYS 40 - HB3 LYS 44 lone 0 33 - 1 - HD2 LYS 17 - HB3 LYS 44 lone 0 33 - 1 - HG3 LYS 39 - HB2 LYS 115 lone 0 55 - 1 - HG LEU 74 - HB2 LYS 44 lone 0 70 - 0 - HG12 ILE 71 - HB2 LYS 49 lone 0 45 - 1 - HD2 LYS 20 - HB2 LYS 115 lone 0 44 - 1 - HG LEU 74 - HB2 LYS 115 lone 0 53 - 1 - HB ILE 56 - HB3 LYS 123 lone 0 92 - 0 - HB3 LYS 106 - HB3 LYS 123 lone 0 73 - 0 - HB ILE 54 - HB3 LYS 123 lone 0 70 - 0 - HD3 LYS 20 - HB2 LYS 115 lone 0 42 - 1 - HB ILE 56 - HB2 LYS 96 lone 0 35 - 1 - HD2 LYS 44 - HB2 LYS 115 lone 0 55 - 1 - HD3 LYS 44 - HB2 LYS 115 lone 0 53 - 1 - HD3 LYS 96 - HB2 LYS 115 lone 0 34 - 1 - HB ILE 56 - HB2 LYS 44 lone 0 61 - 0 - HB2 LYS 106 - HB3 LYS 123 lone 0 65 - 0 - HG LEU 74 - HB3 LYS 44 lone 0 59 - 0 - HD2 LYS 96 - HB2 LYS 115 lone 0 29 - 1 - HB ILE 56 - HB3 LYS 44 lone 0 51 - 0 - HG3 LYS 39 - HB2 LYS 49 lone 0 47 - 0 - HD2 LYS 40 - HB2 LYS 115 lone 0 31 - 1 - HD2 LYS 73 - HB2 LYS 115 lone 0 38 - 1 - HD3 LYS 73 - HB2 LYS 115 lone 0 36 - 1 - HD3 LYS 40 - HB2 LYS 115 lone 0 29 - 1 - HD3 LYS 43 - HB2 LYS 115 lone 0 36 - 1 - HD3 LYS 39 - HB2 LYS 49 lone 0 44 - 0 - HB3 LYS 106 - HB2 LYS 44 lone 0 46 - 0 - HD2 LYS 39 - HB2 LYS 49 lone 0 43 - 0 - HB ILE 56 - HB2 LYS 115 lone 0 46 - 0 - HD2 LYS 44 - HB2 LYS 49 lone 0 46 - 0 - HB ILE 54 - HB2 LYS 44 lone 0 43 - 0 - HD3 LYS 44 - HB2 LYS 49 lone 0 45 - 0 - HB2 LYS 106 - HB2 LYS 44 lone 0 40 - 0 - HB3 LYS 106 - HB3 LYS 44 lone 0 38 - 0 - HG LEU 74 - HB2 LYS 49 lone 0 45 - 0 - HD2 LYS 20 - HB2 LYS 49 lone 0 37 - 0 - HB ILE 54 - HB3 LYS 44 lone 0 35 - 0 - HG LEU 74 - HB2 LYS 96 lone 0 41 - 0 - HB2 LYS 106 - HB3 LYS 44 lone 0 33 - 0 - HD3 LYS 20 - HB2 LYS 49 lone 0 35 - 0 - HD2 LYS 17 - HB2 LYS 96 lone 0 22 - 1 - HD3 LYS 16 - HB2 LYS 49 lone 0 39 - 0 - HD3 LYS 96 - HB2 LYS 49 lone 0 28 - 0 - HB ILE 54 - HB2 LYS 115 lone 0 31 - 0 - HD2 LYS 16 - HB2 LYS 49 lone 0 34 - 0 - HD2 LYS 96 - HB2 LYS 49 lone 0 24 - 0 - HB3 LYS 106 - HB2 LYS 96 lone 0 26 - 0 - HB ILE 54 - HB2 LYS 96 lone 0 24 - 0 - HD2 LYS 73 - HB2 LYS 49 lone 0 32 - 0 - HB3 LYS 106 - HB2 LYS 115 lone 0 34 - 0 - HD3 LYS 43 - HB2 LYS 49 lone 0 30 - 0 - HD3 LYS 73 - HB2 LYS 49 lone 0 30 - 0 - HB ILE 56 - HB2 LYS 49 lone 0 39 - 0 - HD2 LYS 40 - HB2 LYS 49 lone 0 26 - 0 - HB2 LYS 106 - HB2 LYS 115 lone 0 29 - 0 - HD3 LYS 40 - HB2 LYS 49 lone 0 24 - 0 - HD2 LYS 17 - HB2 LYS 49 lone 0 24 - 0 - HB2 LYS 106 - HB2 LYS 96 lone 0 22 - 0 - HB3 LYS 106 - HB2 LYS 49 lone 0 28 - 0 - HB ILE 54 - HB2 LYS 49 lone 0 26 - 0 - HB2 LYS 106 - HB2 LYS 49 lone 0 24 - 0 - Peak 7093 from cnoeabs.peaks (1.84, 1.91, 32.31 ppm; 2.40 A): 2 out of 48 assignments used, quality = 0.73: * HD2 LYS 123 + HB3 LYS 123 OK 70 100 - 70 - 3.8=24, 1.8/7130=10...(22) HD2 LYS 123 + HB2 LYS 44 OK 11 72 - 15 - 7120=3, 7120/1.8=3...(4) HD2 LYS 123 - HB3 LYS 44 poor 9 61 - 15 - 7120=3, 7120/1.8=3...(4) HD2 LYS 123 - HB2 LYS 115 lone 4 55 - 8 - 7120=1, 7119/1.8=1, 1.8/7130=1 QE MET 121 - HB3 LYS 123 lone 3 84 - 4 - 1814/3.7=1 HG LEU 70 - HB3 LYS 123 lone 2 99 - 2 - HD2 LYS 123 - HB2 LYS 96 lone 1 43 - 3 - HB3 LYS 77 - HB3 LYS 123 lone 1 100 - 1 - HB2 LYS 77 - HB3 LYS 123 lone 1 100 - 1 - HD2 LYS 123 - HB2 LYS 49 lone 1 47 - 2 - HG LEU 127 - HB3 LYS 123 lone 1 77 - 1 - HB2 ARG 105 - HB3 LYS 123 lone 1 81 - 1 - HB3 LYS 19 - HB3 LYS 123 lone 0 94 - 0 - HG LEU 70 - HB2 LYS 115 lone 0 53 - 1 - HG LEU 70 - HB2 LYS 44 lone 0 70 - 0 - HG LEU 70 - HB3 LYS 44 lone 0 59 - 0 - HB2 LYS 77 - HB2 LYS 96 lone 0 43 - 1 - HB3 LYS 77 - HB2 LYS 96 lone 0 43 - 1 - QE MET 121 - HB2 LYS 44 lone 0 54 - 0 - HB2 ARG 105 - HB2 LYS 115 lone 0 38 - 1 - HG LEU 70 - HB2 LYS 96 lone 0 41 - 0 - QE MET 121 - HB3 LYS 44 lone 0 45 - 0 - HB2 LYS 77 - HB2 LYS 44 lone 0 72 - 0 - HB3 LYS 77 - HB2 LYS 44 lone 0 72 - 0 - HB3 LYS 77 - HB2 LYS 115 lone 0 55 - 0 - HB3 LYS 19 - HB2 LYS 115 lone 0 47 - 0 - QE MET 121 - HB2 LYS 49 lone 0 34 - 0 - HB3 LYS 19 - HB2 LYS 44 lone 0 63 - 0 - QE MET 121 - HB2 LYS 115 lone 0 40 - 0 - HB2 LYS 77 - HB2 LYS 115 lone 0 55 - 0 - HB2 LYS 77 - HB3 LYS 44 lone 0 61 - 0 - HB3 LYS 77 - HB3 LYS 44 lone 0 61 - 0 - HG LEU 127 - HB2 LYS 44 lone 0 49 - 0 - HB3 LYS 19 - HB3 LYS 44 lone 0 53 - 0 - HG LEU 70 - HB2 LYS 49 lone 0 45 - 0 - HB2 ARG 105 - HB2 LYS 44 lone 0 51 - 0 - HG LEU 127 - HB3 LYS 44 lone 0 40 - 0 - HB3 LYS 19 - HB2 LYS 96 lone 0 37 - 0 - HG LEU 127 - HB2 LYS 115 lone 0 36 - 0 - HB2 LYS 77 - HB2 LYS 49 lone 0 47 - 0 - HB3 LYS 77 - HB2 LYS 49 lone 0 46 - 0 - HB2 ARG 105 - HB3 LYS 44 lone 0 43 - 0 - HG LEU 127 - HB2 LYS 96 lone 0 28 - 0 - QE MET 121 - HB2 LYS 96 lone 0 31 - 0 - HB3 LYS 19 - HB2 LYS 49 lone 0 40 - 0 - HB2 ARG 105 - HB2 LYS 49 lone 0 32 - 0 - HG LEU 127 - HB2 LYS 49 lone 0 30 - 0 - HB2 ARG 105 - HB2 LYS 96 lone 0 29 - 0 - Peak 7094 from cnoeabs.peaks (1.75, 1.91, 32.31 ppm; 2.77 A): 0 out of 1 assignment used, low quality = 0.43: HB3 LYS 49 - HB2 LYS 49 OK 43 43 - 100 - 1.8=100 Reference assignment not found: HD3 LYS 123 - HB3 LYS 123 Peak 7095 from cnoeabs.peaks (3.01, 1.91, 32.31 ppm; 4.91 A): 4 out of 48 assignments used, quality = 1.00: * HE2 LYS 123 + HB3 LYS 123 OK 100 100 - 100 - 5.1=91, 3.0/7093=32...(28) HE3 LYS 123 + HB3 LYS 123 OK 99 99 - 100 - 5.1=91, 3.0/7093=32...(28) HE3 LYS 49 + HB2 LYS 49 OK 46 46 - 99 - 5.1=88, ~4161=16...(30) HE2 LYS 49 + HB2 LYS 49 OK 46 46 - 99 - 5.1=88, ~4161=16...(30) HE2 LYS 123 - HB2 LYS 44 OK 27 72 - 37 - 3.0/7120=6, 3.0/7130=5...(19) HE3 LYS 123 - HB2 LYS 44 OK 26 71 - 37 - 3.0/7120=6, 3.0/7130=5...(19) HE2 LYS 123 - HB3 LYS 44 OK 22 61 - 37 - 3.0/7120=6, 3.0/7130=5...(19) HE3 LYS 123 - HB3 LYS 44 OK 22 60 - 37 - 3.0/7120=6, 3.0/7130=5...(19) HE2 LYS 49 - HB3 LYS 123 OK 17 100 - 17 - 7115/2.9=2, 7141/2.9=2...(7) HE3 LYS 49 - HB3 LYS 123 OK 17 100 - 17 - 7115/2.9=2, 7141/2.9=2...(7) HE2 LYS 123 - HB2 LYS 115 OK 13 55 - 23 - 3.0/7120=3, ~7129=3...(12) HE3 LYS 123 - HB2 LYS 115 OK 12 53 - 23 - 3.0/7120=3, ~7129=3...(12) HE2 LYS 94 - HB3 LYS 123 lone 5 98 - 5 - HE2 LYS 123 - HB2 LYS 96 lone 4 43 - 10 - 3.0/7120=1, 3.0/7130=1 HE3 LYS 123 - HB2 LYS 96 lone 4 42 - 10 - 3.0/7120=1, 3.0/7130=1 HE2 LYS 94 - HB2 LYS 44 lone 4 68 - 6 - HE2 LYS 123 - HB2 LYS 49 lone 4 47 - 8 - HE3 LYS 123 - HB2 LYS 49 lone 4 45 - 8 - HE2 LYS 94 - HB2 LYS 96 lone 4 40 - 9 - HE2 LYS 94 - HB3 LYS 44 lone 3 58 - 6 - HE2 LYS 94 - HB2 LYS 115 lone 3 52 - 6 - HE2 LYS 49 - HB2 LYS 44 lone 2 72 - 3 - HE3 LYS 49 - HB2 LYS 44 lone 2 72 - 3 - HE2 LYS 49 - HB3 LYS 44 lone 2 61 - 3 - HE3 LYS 49 - HB3 LYS 44 lone 2 61 - 3 - HE3 LYS 49 - HB2 LYS 115 lone 2 55 - 3 - HE2 LYS 49 - HB2 LYS 115 lone 2 55 - 3 - HE2 LYS 49 - HB2 LYS 96 lone 1 43 - 3 - HE3 LYS 49 - HB2 LYS 96 lone 1 43 - 3 - HB2 ASN 59 - HB3 LYS 123 lone 1 98 - 1 - HB2 ASN 11 - HB3 LYS 123 lone 1 81 - 1 - HB2 PHE 51 - HB3 LYS 123 lone 1 81 - 1 - HE2 LYS 94 - HB2 LYS 49 lone 1 44 - 1 - HB2 ASN 59 - HB2 LYS 44 lone 1 68 - 1 - HB2 ASN 11 - HB2 LYS 44 lone 1 51 - 1 - HB2 ASN 59 - HB3 LYS 44 lone 1 58 - 1 - HB2 PHE 51 - HB2 LYS 115 lone 1 38 - 1 - HB2 ASN 11 - HB3 LYS 44 lone 1 43 - 1 - HB2 PHE 51 - HB2 LYS 44 lone 0 51 - 1 - HB2 ASN 59 - HB2 LYS 115 lone 0 52 - 1 - HB2 ASN 11 - HB2 LYS 115 lone 0 38 - 1 - HB2 ASN 59 - HB2 LYS 49 lone 0 44 - 1 - HB2 PHE 51 - HB3 LYS 44 lone 0 43 - 1 - HB2 ASN 59 - HB2 LYS 96 lone 0 40 - 1 - HB2 ASN 11 - HB2 LYS 49 lone 0 32 - 1 - HB2 PHE 51 - HB2 LYS 49 lone 0 32 - 1 - HB2 ASN 11 - HB2 LYS 96 lone 0 29 - 1 - HB2 PHE 51 - HB2 LYS 96 lone 0 29 - 1 - Peak 7096 from cnoeabs.peaks (3.01, 1.91, 32.31 ppm; 4.10 A): 2 out of 48 assignments used, quality = 1.00: * HE3 LYS 123 + HB3 LYS 123 OK 97 100 - 97 - 5.1=53, 3.0/7093=29...(28) HE2 LYS 123 + HB3 LYS 123 OK 96 99 - 97 - 5.1=53, 3.0/7093=29...(28) HE2 LYS 49 - HB2 LYS 49 OK 40 44 - 93 - 5.1=51, ~4161=12...(30) HE3 LYS 49 - HB2 LYS 49 OK 40 44 - 93 - 5.1=51, ~4161=12...(30) HE3 LYS 123 - HB2 LYS 44 OK 21 72 - 30 - 3.0/7120=5, 3.0/7130=4...(13) HE2 LYS 123 - HB2 LYS 44 OK 21 71 - 30 - 3.0/7120=5, 3.0/7130=4...(11) HE3 LYS 123 - HB3 LYS 44 OK 18 61 - 29 - 3.0/7120=5, 3.0/7130=4...(11) HE2 LYS 123 - HB3 LYS 44 OK 17 60 - 29 - 3.0/7120=5, 3.0/7130=4...(11) HE3 LYS 49 - HB3 LYS 123 OK 12 98 - 13 - 7115/2.9=1, 7141/2.9=1 HE2 LYS 49 - HB3 LYS 123 OK 12 98 - 13 - 7115/2.9=1, 7141/2.9=1 HE3 LYS 123 - HB2 LYS 115 poor 10 55 - 18 - 3.0/7120=2, 3.0/7130=2...(8) HE2 LYS 123 - HB2 LYS 115 poor 9 53 - 18 - 3.0/7120=2, 3.0/7130=2...(7) HE2 LYS 94 - HB3 LYS 123 lone 3 92 - 4 - HE3 LYS 123 - HB2 LYS 96 lone 3 43 - 7 - HE2 LYS 123 - HB2 LYS 96 lone 3 42 - 7 - HE3 LYS 123 - HB2 LYS 49 lone 3 47 - 6 - HE2 LYS 123 - HB2 LYS 49 lone 3 45 - 6 - HE2 LYS 94 - HB2 LYS 44 lone 3 61 - 4 - HE2 LYS 94 - HB2 LYS 96 lone 2 35 - 6 - HE2 LYS 94 - HB3 LYS 44 lone 2 51 - 4 - HE2 LYS 94 - HB2 LYS 115 lone 2 46 - 4 - HE3 LYS 49 - HB2 LYS 44 lone 1 68 - 2 - HE2 LYS 49 - HB2 LYS 44 lone 1 68 - 2 - HE2 LYS 49 - HB3 LYS 44 lone 1 58 - 2 - HE3 LYS 49 - HB3 LYS 44 lone 1 58 - 2 - HE3 LYS 49 - HB2 LYS 115 lone 1 52 - 2 - HE2 LYS 49 - HB2 LYS 115 lone 1 52 - 2 - HE3 LYS 49 - HB2 LYS 96 lone 1 40 - 2 - HE2 LYS 49 - HB2 LYS 96 lone 1 40 - 2 - HB2 ASN 59 - HB3 LYS 123 lone 1 100 - 1 - HB2 ASN 11 - HB3 LYS 123 lone 0 65 - 1 - HB2 ASN 59 - HB2 LYS 44 lone 0 72 - 1 - HB2 PHE 51 - HB3 LYS 123 lone 0 65 - 1 - HE2 LYS 94 - HB2 LYS 49 lone 0 39 - 1 - HB2 ASN 59 - HB3 LYS 44 lone 0 61 - 1 - HB2 ASN 59 - HB2 LYS 115 lone 0 55 - 1 - HB2 ASN 59 - HB2 LYS 49 lone 0 46 - 1 - HB2 ASN 11 - HB2 LYS 44 lone 0 40 - 1 - HB2 PHE 51 - HB2 LYS 115 lone 0 29 - 1 - HB2 ASN 59 - HB2 LYS 96 lone 0 43 - 1 - HB2 PHE 51 - HB2 LYS 44 lone 0 40 - 1 - HB2 ASN 11 - HB3 LYS 44 lone 0 33 - 1 - HB2 ASN 11 - HB2 LYS 115 lone 0 29 - 1 - HB2 PHE 51 - HB3 LYS 44 lone 0 33 - 1 - HB2 ASN 11 - HB2 LYS 49 lone 0 24 - 1 - HB2 PHE 51 - HB2 LYS 49 lone 0 24 - 1 - HB2 ASN 11 - HB2 LYS 96 lone 0 22 - 1 - HB2 PHE 51 - HB2 LYS 96 lone 0 22 - 1 - Peak 7097 from cnoeabs.peaks (8.40, 1.57, 25.68 ppm; 4.50 A): 1 out of 3 assignments used, quality = 0.98: * H LYS 123 + HG2 LYS 123 OK 98 100 - 98 - 5.0=73, 7107/1.8=24...(20) H MET 67 - HG2 LYS 123 OK 25 98 - 25 - 7107/1.8=6, 2.9/8141=5...(7) H ASP 36 - HG2 LYS 123 OK 11 87 - 12 - 7107/1.8=2, 11206/2.9=2...(6) Peak 7098 from cnoeabs.peaks (4.03, 1.57, 25.68 ppm; 4.99 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 123 + HG2 LYS 123 OK 100 100 - 100 - 3.9=100 Peak 7099 from cnoeabs.peaks (1.93, 1.57, 25.68 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LYS 123 + HG2 LYS 123 OK 100 100 - 100 - 2.9=100 Peak 7100 from cnoeabs.peaks (1.91, 1.57, 25.68 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 123 + HG2 LYS 123 OK 100 100 - 100 - 2.9=100 Peak 7101 from cnoeabs.peaks (1.57, 1.57, 25.68 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 123 + HG2 LYS 123 OK 100 100 - 100 Peak 7102 from cnoeabs.peaks (1.70, 1.57, 25.68 ppm; 2.70 A): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 123 + HG2 LYS 123 OK 100 100 - 100 - 1.8=100 Peak 7103 from cnoeabs.peaks (1.84, 1.57, 25.68 ppm; 3.49 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 123 + HG2 LYS 123 OK 100 100 - 100 - 2.9=100 Peak 7104 from cnoeabs.peaks (1.75, 1.57, 25.68 ppm; 2.91 A): 1 out of 12 assignments used, quality = 0.99: * HD3 LYS 123 + HG2 LYS 123 OK 99 100 - 99 - 2.9=97, 7114/1.8=30...(24) HB2 LEU 68 - HG2 LYS 123 lone 5 100 - 5 - HB3 LYS 49 - HG2 LYS 123 lone 4 97 - 4 - HG2 LYS 17 - HG2 LYS 123 lone 3 97 - 3 - HB2 LEU 114 - HG2 LYS 123 lone 2 84 - 2 - HB2 LEU 80 - HG2 LYS 123 lone 2 99 - 2 - HB3 LYS 94 - HG2 LYS 123 lone 1 84 - 2 - HG3 ARG 105 - HG2 LYS 123 lone 1 99 - 1 - HB3 LEU 82 - HG2 LYS 123 lone 1 87 - 1 - HB2 LEU 55 - HG2 LYS 123 lone 1 84 - 1 - HG2 ARG 118 - HG2 LYS 123 lone 0 61 - 1 - HG12 ILE 18 - HG2 LYS 123 lone 0 70 - 0 - Peak 7105 from cnoeabs.peaks (3.01, 1.57, 25.68 ppm; 3.94 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 123 + HG2 LYS 123 OK 100 100 - 100 - 3.9=100 HE3 LYS 123 + HG2 LYS 123 OK 99 99 - 100 - 3.9=100 Peak 7106 from cnoeabs.peaks (3.01, 1.57, 25.68 ppm; 4.88 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 123 + HG2 LYS 123 OK 100 100 - 100 - 3.9=100 HE2 LYS 123 + HG2 LYS 123 OK 99 99 - 100 - 3.9=100 Peak 7107 from cnoeabs.peaks (8.40, 1.70, 25.68 ppm; 4.25 A): 1 out of 6 assignments used, quality = 0.96: * H LYS 123 + HG3 LYS 123 OK 96 100 - 96 - 5.0=61, 7097/1.8=26...(22) H ASP 36 - HG3 LYS 39 OK 26 53 - 50 - ~10934=10, 3.0/9345=9...(10) H MET 67 - HG3 LYS 123 OK 22 98 - 23 - 7097/1.8=7, 784/4.7=4...(7) H LYS 123 - HG3 LYS 39 OK 11 68 - 17 - 1813=3, 1810/2.9=2...(8) H ASP 36 - HG3 LYS 123 poor 9 87 - 11 - 7097/1.8=3, 11206/2.9=2...(4) H MET 67 - HG3 LYS 39 lone 1 64 - 2 - Peak 7108 from cnoeabs.peaks (4.03, 1.70, 25.68 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 123 + HG3 LYS 123 OK 100 100 - 100 - 3.9=100 Peak 7109 from cnoeabs.peaks (1.93, 1.70, 25.68 ppm; 3.33 A): 3 out of 3 assignments used, quality = 1.00: * HB2 LYS 123 + HG3 LYS 123 OK 100 100 - 100 - 2.9=100 HB2 LYS 39 + HG3 LYS 39 OK 68 68 - 100 - 2.9=100 HB3 LYS 39 + HG3 LYS 39 OK 48 48 - 100 - 2.9=100 Peak 7110 from cnoeabs.peaks (1.91, 1.70, 25.68 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LYS 123 + HG3 LYS 123 OK 100 100 - 100 - 2.9=100 Peak 7111 from cnoeabs.peaks (1.57, 1.70, 25.68 ppm; 2.83 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 123 + HG3 LYS 123 OK 100 100 - 100 - 1.8=100 Peak 7112 from cnoeabs.peaks (1.70, 1.70, 25.68 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 LYS 123 + HG3 LYS 123 OK 100 100 - 100 HG3 LYS 39 + HG3 LYS 39 OK 68 68 - 100 Peak 7113 from cnoeabs.peaks (1.84, 1.70, 25.68 ppm; 3.59 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 123 + HG3 LYS 123 OK 100 100 - 100 - 2.9=100 Peak 7114 from cnoeabs.peaks (1.75, 1.70, 25.68 ppm; 2.46 A): 2 out of 24 assignments used, quality = 0.87: * HD3 LYS 123 + HG3 LYS 123 OK 85 100 - 85 - 2.9=58, 7104/1.8=20...(18) HD3 LYS 123 + HG3 LYS 39 OK 11 68 - 16 - 7132=4, 1.8/7122=2...(6) HB3 LYS 49 - HG3 LYS 123 lone 3 97 - 3 - HB2 LEU 68 - HG3 LYS 123 lone 3 100 - 3 - HG2 LYS 17 - HG3 LYS 123 lone 2 97 - 2 - HB2 LEU 80 - HG3 LYS 39 lone 1 65 - 2 - HB2 LEU 114 - HG3 LYS 123 lone 1 84 - 1 - HB2 LEU 80 - HG3 LYS 123 lone 1 99 - 1 - HB3 LYS 94 - HG3 LYS 123 lone 1 84 - 1 - HG3 ARG 105 - HG3 LYS 123 lone 1 99 - 1 - HB3 LEU 82 - HG3 LYS 123 lone 1 87 - 1 - HB3 LEU 82 - HG3 LYS 39 lone 0 53 - 1 - HB2 LEU 55 - HG3 LYS 123 lone 0 84 - 0 - HG12 ILE 18 - HG3 LYS 123 lone 0 70 - 0 - HB2 LEU 114 - HG3 LYS 39 lone 0 50 - 0 - HB3 LYS 49 - HG3 LYS 39 lone 0 63 - 0 - HG2 ARG 118 - HG3 LYS 123 lone 0 61 - 0 - HB2 LEU 68 - HG3 LYS 39 lone 0 68 - 0 - HG2 LYS 17 - HG3 LYS 39 lone 0 63 - 0 - HG3 ARG 105 - HG3 LYS 39 lone 0 66 - 0 - HB2 LEU 55 - HG3 LYS 39 lone 0 50 - 0 - HB3 LYS 94 - HG3 LYS 39 lone 0 50 - 0 - HG12 ILE 18 - HG3 LYS 39 lone 0 40 - 0 - HG2 ARG 118 - HG3 LYS 39 lone 0 35 - 0 - Peak 7115 from cnoeabs.peaks (3.01, 1.70, 25.68 ppm; 3.87 A): 2 out of 16 assignments used, quality = 1.00: * HE2 LYS 123 + HG3 LYS 123 OK 100 100 - 100 - 3.9=100 HE3 LYS 123 + HG3 LYS 123 OK 99 99 - 100 - 3.9=100 HE2 LYS 123 - HG3 LYS 39 OK 19 68 - 28 - 3.0/7114=4, 3.0/7122=3...(14) HE3 LYS 123 - HG3 LYS 39 OK 18 66 - 28 - 3.0/7114=4, 3.0/7122=3...(14) HE3 LYS 49 - HG3 LYS 123 OK 12 100 - 12 - 7141/1.8=1 HE2 LYS 49 - HG3 LYS 123 OK 12 100 - 12 - 7141/1.8=1 HE2 LYS 94 - HG3 LYS 123 lone 3 98 - 3 - HE2 LYS 49 - HG3 LYS 39 lone 2 68 - 2 - HE3 LYS 49 - HG3 LYS 39 lone 2 68 - 2 - HE2 LYS 94 - HG3 LYS 39 lone 1 64 - 2 - HB2 ASN 11 - HG3 LYS 123 lone 1 81 - 1 - HB2 ASN 59 - HG3 LYS 123 lone 1 98 - 1 - HB2 PHE 51 - HG3 LYS 123 lone 0 81 - 1 - HB2 ASN 11 - HG3 LYS 39 lone 0 48 - 1 - HB2 ASN 59 - HG3 LYS 39 lone 0 64 - 0 - HB2 PHE 51 - HG3 LYS 39 lone 0 48 - 1 - Peak 7116 from cnoeabs.peaks (3.01, 1.70, 25.68 ppm; 3.85 A): 2 out of 16 assignments used, quality = 1.00: * HE3 LYS 123 + HG3 LYS 123 OK 100 100 - 100 - 3.9=98, 3.0/7114=32...(29) HE2 LYS 123 + HG3 LYS 123 OK 99 99 - 100 - 3.9=98, 3.0/7114=32...(29) HE3 LYS 123 - HG3 LYS 39 OK 19 68 - 28 - 3.0/7114=4, 3.0/7122=3...(14) HE2 LYS 123 - HG3 LYS 39 OK 18 66 - 28 - 3.0/7114=4, 3.0/7122=3...(14) HE3 LYS 49 - HG3 LYS 123 OK 12 98 - 12 - 7141/1.8=1 HE2 LYS 49 - HG3 LYS 123 OK 12 98 - 12 - 7141/1.8=1 HE2 LYS 94 - HG3 LYS 123 lone 3 92 - 3 - HE2 LYS 49 - HG3 LYS 39 lone 2 64 - 2 - HE3 LYS 49 - HG3 LYS 39 lone 2 64 - 2 - HE2 LYS 94 - HG3 LYS 39 lone 1 57 - 2 - HB2 ASN 59 - HG3 LYS 123 lone 1 100 - 1 - HB2 ASN 11 - HG3 LYS 123 lone 0 65 - 1 - HB2 PHE 51 - HG3 LYS 123 lone 0 65 - 1 - HB2 ASN 59 - HG3 LYS 39 lone 0 68 - 0 - HB2 ASN 11 - HG3 LYS 39 lone 0 37 - 1 - HB2 PHE 51 - HG3 LYS 39 lone 0 37 - 1 - Peak 7118 from cnoeabs.peaks (4.03, 1.84, 29.29 ppm; 4.86 A): 1 out of 1 assignment used, quality = 1.00: * HA LYS 123 + HD2 LYS 123 OK 100 100 - 100 - 4.6=100 Peak 7119 from cnoeabs.peaks (1.93, 1.84, 29.29 ppm; 3.25 A): 1 out of 20 assignments used, quality = 0.95: * HB2 LYS 123 + HD2 LYS 123 OK 95 100 - 95 - 3.8=61, 1.8/7093=29...(35) HB2 LYS 65 - HD2 LYS 123 OK 25 100 - 25 - 7083=4, 7129/1.8=4...(7) HB2 LYS 39 - HD2 LYS 123 OK 24 100 - 25 - 7129/1.8=3, 7083=3...(9) HB3 LYS 65 - HD2 LYS 123 OK 24 100 - 24 - 7083=4, 1.8/7083=4...(6) HB3 LYS 39 - HD2 LYS 123 OK 20 81 - 24 - 7129/1.8=3, 1.8/7083=3...(9) HB3 LYS 115 - HD2 LYS 123 OK 19 100 - 19 - 7129/1.8=3, 7083=3...(5) HB2 LYS 115 - HD2 LYS 123 OK 16 98 - 17 - 1.8/7083=3, 7129/1.8=2...(4) HB2 LEU 70 - HD2 LYS 123 lone 7 96 - 8 - 4.5/438=2, 3.0/5031=2 HG2 MET 121 - HD2 LYS 123 lone 4 70 - 6 - 4.6/1799=2, 4.1/6991=1 HB2 LEU 127 - HD2 LYS 123 lone 3 100 - 3 - 4651/11210=1 HB3 LYS 40 - HD2 LYS 123 lone 2 90 - 3 - HB VAL 104 - HD2 LYS 123 lone 2 87 - 3 - HB2 LEU 81 - HD2 LYS 123 lone 2 77 - 3 - HB3 LYS 17 - HD2 LYS 123 lone 2 87 - 2 - HB3 GLU 41 - HD2 LYS 123 lone 1 77 - 1 - HB2 GLU 41 - HD2 LYS 123 lone 1 73 - 1 - HB ILE 15 - HD2 LYS 123 lone 1 61 - 2 - HB VAL 29 - HD2 LYS 123 lone 1 61 - 1 - HB3 MET 42 - HD2 LYS 123 lone 0 73 - 1 - HB3 GLU 52 - HD2 LYS 123 lone 0 65 - 1 - Peak 7120 from cnoeabs.peaks (1.91, 1.84, 29.29 ppm; 3.02 A): 2 out of 19 assignments used, quality = 0.93: * HB3 LYS 123 + HD2 LYS 123 OK 91 100 - 91 - 3.8=49, 1.8/7083=19...(34) HB2 LYS 44 + HD2 LYS 123 OK 24 100 - 25 - 7093=5, 7130/1.8=4...(6) HB3 LYS 44 - HD2 LYS 123 OK 23 96 - 24 - 1.8/7093=4, 7093=4...(6) HB2 LYS 115 - HD2 LYS 123 OK 11 81 - 13 - 1.8/7083=2, 7093=2...(4) HB3 LYS 65 - HD2 LYS 123 poor 10 61 - 16 - 1.8/7083=3, ~7129=2...(6) HB ILE 71 - HD2 LYS 123 poor 7 65 - 11 - ~10612=4, 3.9/438=2...(5) HG2 MET 121 - HD2 LYS 123 lone 6 100 - 6 - 4.6/1799=1 HB2 LYS 96 - HD2 LYS 123 lone 5 84 - 5 - HB2 LYS 43 - HD2 LYS 123 lone 3 97 - 3 - HB2 LEU 81 - HD2 LYS 123 lone 3 99 - 3 - HB2 LYS 49 - HD2 LYS 123 lone 2 77 - 3 - HB3 LYS 43 - HD2 LYS 123 lone 2 84 - 3 - HB3 LYS 17 - HD2 LYS 123 lone 2 96 - 2 - HB ILE 15 - HD2 LYS 123 lone 2 100 - 2 - HB2 LEU 127 - HD2 LYS 123 lone 1 61 - 2 - HB2 LEU 45 - HD2 LYS 123 lone 1 92 - 1 - HB2 GLU 128 - HD2 LYS 123 lone 1 84 - 1 - HB2 LYS 73 - HD2 LYS 123 lone 1 61 - 1 - HB2 ARG 95 - HD2 LYS 123 lone 1 70 - 1 - Peak 7121 from cnoeabs.peaks (1.57, 1.84, 29.29 ppm; 3.60 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 123 + HD2 LYS 123 OK 100 100 - 100 - 2.9=100 Peak 7122 from cnoeabs.peaks (1.70, 1.84, 29.29 ppm; 2.75 A): 1 out of 24 assignments used, quality = 0.96: * HG3 LYS 123 + HD2 LYS 123 OK 96 100 - 96 - 2.9=82, 7114/1.8=28...(18) HG3 LYS 39 - HD2 LYS 123 OK 14 100 - 14 - 7114/1.8=3, 2.9/7119=2 HD2 LYS 44 - HD2 LYS 123 OK 12 100 - 12 - 7132/1.8=2, 3.7/7120=2...(4) HD3 LYS 44 - HD2 LYS 123 OK 12 99 - 12 - 7132/1.8=2, 3.7/7120=2...(4) HD3 LYS 39 - HD2 LYS 123 OK 11 98 - 11 - 7132/1.8=2, 3.5/7119=1...(4) HD2 LYS 39 - HD2 LYS 123 OK 11 97 - 11 - 7132/1.8=2, 3.5/7119=1...(4) HG12 ILE 71 - HD2 LYS 123 lone 8 99 - 8 - ~10612=2, 4.6/438=1...(4) HD3 LYS 96 - HD2 LYS 123 lone 3 73 - 4 - HD2 LYS 96 - HD2 LYS 123 lone 2 65 - 3 - HD3 LYS 16 - HD2 LYS 123 lone 2 92 - 2 - HD2 LYS 16 - HD2 LYS 123 lone 2 84 - 2 - HG LEU 74 - HD2 LYS 123 lone 1 99 - 1 - HD2 LYS 17 - HD2 LYS 123 lone 1 65 - 2 - HD3 LYS 43 - HD2 LYS 123 lone 1 77 - 1 - HD2 LYS 20 - HD2 LYS 123 lone 1 90 - 1 - HD3 LYS 20 - HD2 LYS 123 lone 1 87 - 1 - HD2 LYS 73 - HD2 LYS 123 lone 1 81 - 1 - HD3 LYS 73 - HD2 LYS 123 lone 1 77 - 1 - HD2 LYS 40 - HD2 LYS 123 lone 1 70 - 1 - HD3 LYS 40 - HD2 LYS 123 lone 1 65 - 1 - HB3 LYS 106 - HD2 LYS 123 lone 0 73 - 1 - HB2 LYS 106 - HD2 LYS 123 lone 0 65 - 1 - HB ILE 56 - HD2 LYS 123 lone 0 92 - 0 - HB ILE 54 - HD2 LYS 123 lone 0 70 - 0 - Peak 7123 from cnoeabs.peaks (1.84, 1.84, 29.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 123 + HD2 LYS 123 OK 100 100 - 100 Peak 7124 from cnoeabs.peaks (1.75, 1.84, 29.29 ppm; 2.64 A): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 123 + HD2 LYS 123 OK 100 100 - 100 - 1.8=100 Peak 7125 from cnoeabs.peaks (3.01, 1.84, 29.29 ppm; 3.93 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 123 + HD2 LYS 123 OK 100 100 - 100 - 3.0=100 HE3 LYS 123 + HD2 LYS 123 OK 99 99 - 100 - 3.0=100 Peak 7126 from cnoeabs.peaks (3.01, 1.84, 29.29 ppm; 4.84 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 123 + HD2 LYS 123 OK 100 100 - 100 - 3.0=100 HE2 LYS 123 + HD2 LYS 123 OK 99 99 - 100 - 3.0=100 Peak 7128 from cnoeabs.peaks (4.03, 1.75, 29.29 ppm; 4.13 A): 1 out of 12 assignments used, quality = 0.99: * HA LYS 123 + HD3 LYS 123 OK 99 100 - 99 - 4.6=71, 3.9/7114=28...(43) HA PHE 120 - HD3 LYS 123 OK 39 100 - 39 - 11470/1.8=13...(5) HA GLU 66 - HD3 LYS 123 OK 12 100 - 12 - 3.6/11205=3, 7074=2...(4) HA LYS 40 - HD3 LYS 123 lone 6 100 - 6 - HA GLU 119 - HD3 LYS 123 lone 4 100 - 4 - HA GLU 92 - HD3 LYS 123 lone 2 97 - 2 - HA GLU 13 - HD3 LYS 123 lone 2 100 - 2 - HA3 GLY 75 - HD3 LYS 123 lone 1 84 - 2 - HB2 SER 126 - HD3 LYS 123 lone 1 100 - 1 - HB3 SER 126 - HD3 LYS 123 lone 1 99 - 1 - HA GLU 87 - HD3 LYS 123 lone 1 92 - 1 - HA3 GLY 101 - HD3 LYS 123 lone 0 73 - 1 - Peak 7129 from cnoeabs.peaks (1.93, 1.75, 29.29 ppm; 3.08 A): 1 out of 20 assignments used, quality = 0.92: * HB2 LYS 123 + HD3 LYS 123 OK 92 100 - 92 - 3.8=52, 2.9/7114=23...(28) HB2 LYS 65 - HD3 LYS 123 OK 22 100 - 22 - 7083/1.8=3, 7084=3...(7) HB3 LYS 65 - HD3 LYS 123 OK 21 100 - 21 - 7083/1.8=3, 3.0/8125=3...(6) HB2 LYS 39 - HD3 LYS 123 OK 21 100 - 21 - 7119/1.8=3, 2.9/7114=3...(7) HB3 LYS 115 - HD3 LYS 123 OK 17 100 - 17 - 7083/1.8=2, 7084=2...(6) HB3 LYS 39 - HD3 LYS 123 OK 17 81 - 21 - 2.9/7114=3, 7119/1.8=2...(8) HB2 LYS 115 - HD3 LYS 123 OK 14 98 - 15 - 7119/1.8=2, 7084=2...(5) HB2 LEU 70 - HD3 LYS 123 lone 4 96 - 4 - HB3 LYS 17 - HD3 LYS 123 lone 3 87 - 3 - HB2 LEU 127 - HD3 LYS 123 lone 2 100 - 2 - 4651/11207=1 HB3 LYS 40 - HD3 LYS 123 lone 2 90 - 2 - HB VAL 104 - HD3 LYS 123 lone 2 87 - 2 - HB2 LEU 81 - HD3 LYS 123 lone 2 77 - 2 - HG2 MET 121 - HD3 LYS 123 lone 2 70 - 3 - HB3 GLU 41 - HD3 LYS 123 lone 1 77 - 1 - HB2 GLU 41 - HD3 LYS 123 lone 1 73 - 1 - HB VAL 29 - HD3 LYS 123 lone 1 61 - 1 - HB ILE 15 - HD3 LYS 123 lone 1 61 - 1 - HB3 MET 42 - HD3 LYS 123 lone 0 73 - 0 - HB3 GLU 52 - HD3 LYS 123 lone 0 65 - 0 - Peak 7130 from cnoeabs.peaks (1.91, 1.75, 29.29 ppm; 3.07 A): 1 out of 19 assignments used, quality = 0.92: * HB3 LYS 123 + HD3 LYS 123 OK 92 100 - 92 - 3.8=51, 7093/1.8=27...(31) HB2 LYS 44 - HD3 LYS 123 OK 21 100 - 21 - 7120/1.8=4, ~7120=2...(5) HB3 LYS 44 - HD3 LYS 123 OK 20 96 - 21 - 7120/1.8=4, ~7120=3...(5) HB2 LYS 115 - HD3 LYS 123 OK 10 81 - 13 - 7120/1.8=2, 1.8/7084=1...(4) HB3 LYS 65 - HD3 LYS 123 OK 10 61 - 17 - 3.0/8125=3, 1.8/7084=2...(6) HB ILE 71 - HD3 LYS 123 lone 6 65 - 10 - ~10612=4, 7120/1.8=1, ~9788=1 HB2 LYS 96 - HD3 LYS 123 lone 4 84 - 5 - HG2 MET 121 - HD3 LYS 123 lone 3 100 - 4 - 7120/1.8=1 HB3 LYS 17 - HD3 LYS 123 lone 3 96 - 3 - HB2 LYS 43 - HD3 LYS 123 lone 3 97 - 3 - HB2 LEU 81 - HD3 LYS 123 lone 2 99 - 2 - HB2 LYS 49 - HD3 LYS 123 lone 2 77 - 3 - HB3 LYS 43 - HD3 LYS 123 lone 2 84 - 3 - HB ILE 15 - HD3 LYS 123 lone 2 100 - 2 - HB2 LEU 45 - HD3 LYS 123 lone 1 92 - 1 - HB2 LEU 127 - HD3 LYS 123 lone 1 61 - 1 - HB2 ARG 95 - HD3 LYS 123 lone 1 70 - 1 - HB2 LYS 73 - HD3 LYS 123 lone 1 61 - 1 - HB2 GLU 128 - HD3 LYS 123 lone 1 84 - 1 - Peak 7131 from cnoeabs.peaks (1.57, 1.75, 29.29 ppm; 3.07 A): 1 out of 1 assignment used, quality = 1.00: * HG2 LYS 123 + HD3 LYS 123 OK 100 100 - 100 - 2.9=100 Peak 7132 from cnoeabs.peaks (1.70, 1.75, 29.29 ppm; 2.40 A): 2 out of 24 assignments used, quality = 0.85: * HG3 LYS 123 + HD3 LYS 123 OK 83 100 - 83 - 2.9=54, 1.8/7104=19...(18) HG3 LYS 39 + HD3 LYS 123 OK 13 100 - 13 - 7114=4, 7122/1.8=2...(4) HD2 LYS 44 - HD3 LYS 123 lone 8 100 - 9 - 7122/1.8=2, 3.7/7130=1 HD3 LYS 44 - HD3 LYS 123 lone 8 99 - 9 - 7122/1.8=2, 3.7/7130=1 HD3 LYS 39 - HD3 LYS 123 lone 8 98 - 9 - 3.0/7114=2, 7122/1.8=1 HD2 LYS 39 - HD3 LYS 123 lone 8 97 - 9 - 3.0/7114=2, 7122/1.8=1 HG12 ILE 71 - HD3 LYS 123 lone 5 99 - 5 - ~10612=1, 7122/1.8=1 HD3 LYS 96 - HD3 LYS 123 lone 2 73 - 2 - HD2 LYS 96 - HD3 LYS 123 lone 2 65 - 2 - HD3 LYS 16 - HD3 LYS 123 lone 1 92 - 2 - HD2 LYS 16 - HD3 LYS 123 lone 1 84 - 2 - HD2 LYS 17 - HD3 LYS 123 lone 1 65 - 2 - HG LEU 74 - HD3 LYS 123 lone 1 99 - 1 - HD3 LYS 43 - HD3 LYS 123 lone 1 77 - 1 - HD2 LYS 20 - HD3 LYS 123 lone 1 90 - 1 - HD2 LYS 40 - HD3 LYS 123 lone 1 70 - 1 - HD3 LYS 20 - HD3 LYS 123 lone 1 87 - 1 - HD3 LYS 40 - HD3 LYS 123 lone 1 65 - 1 - HD2 LYS 73 - HD3 LYS 123 lone 0 81 - 1 - HD3 LYS 73 - HD3 LYS 123 lone 0 77 - 1 - HB3 LYS 106 - HD3 LYS 123 lone 0 73 - 0 - HB2 LYS 106 - HD3 LYS 123 lone 0 65 - 0 - HB ILE 56 - HD3 LYS 123 lone 0 92 - 0 - HB ILE 54 - HD3 LYS 123 lone 0 70 - 0 - Peak 7133 from cnoeabs.peaks (1.84, 1.75, 29.29 ppm; 2.66 A): 1 out of 1 assignment used, quality = 1.00: * HD2 LYS 123 + HD3 LYS 123 OK 100 100 - 100 - 1.8=100 Peak 7134 from cnoeabs.peaks (1.75, 1.75, 29.29 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HD3 LYS 123 + HD3 LYS 123 OK 100 100 - 100 Peak 7135 from cnoeabs.peaks (3.01, 1.75, 29.29 ppm; 3.47 A): 2 out of 2 assignments used, quality = 1.00: * HE2 LYS 123 + HD3 LYS 123 OK 100 100 - 100 - 3.0=100 HE3 LYS 123 + HD3 LYS 123 OK 99 99 - 100 - 3.0=100 Peak 7136 from cnoeabs.peaks (3.01, 1.75, 29.29 ppm; 3.19 A): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 123 + HD3 LYS 123 OK 100 100 - 100 - 3.0=100 HE2 LYS 123 + HD3 LYS 123 OK 99 99 - 100 - 3.0=100 Peak 7139 from cnoeabs.peaks (1.93, 3.01, 41.78 ppm; 4.30 A): 2 out of 100 assignments used, quality = 1.00: * HB2 LYS 123 + HE2 LYS 123 OK 98 100 - 98 - 5.1=61, 7083/3.0=21...(27) HB2 LYS 123 + HE3 LYS 123 OK 96 99 - 98 - 5.1=61, 7083/3.0=21...(27) HB2 LYS 39 - HE2 LYS 123 OK 34 100 - 34 - 7119/3.0=4, 7129/3.0=4...(17) HB2 LYS 39 - HE3 LYS 123 OK 34 99 - 35 - 7119/3.0=4, 7129/3.0=4...(17) HB2 LYS 65 - HE2 LYS 123 OK 30 100 - 31 - 7129/3.0=4, 7119/3.0=4...(14) HB2 LYS 65 - HE3 LYS 123 OK 30 99 - 31 - 7129/3.0=4, 7119/3.0=4...(14) HB3 LYS 65 - HE2 LYS 123 OK 28 100 - 29 - 7129/3.0=4, 7119/3.0=4...(12) HB3 LYS 65 - HE3 LYS 123 OK 28 99 - 29 - 7129/3.0=4, 7119/3.0=4...(12) HB3 LYS 39 - HE2 LYS 123 OK 28 81 - 34 - 7119/3.0=3, 7129/3.0=3...(19) HB3 LYS 39 - HE3 LYS 123 OK 26 77 - 35 - 7119/3.0=3, 7129/3.0=3...(20) HB3 LYS 115 - HE2 LYS 123 OK 26 100 - 26 - 7129/3.0=3, 7119/3.0=3...(12) HB3 LYS 115 - HE3 LYS 123 OK 25 99 - 26 - 7129/3.0=3, 7119/3.0=3...(12) HB2 LYS 115 - HE2 LYS 123 OK 21 98 - 21 - 7129/3.0=3, 7119/3.0=3...(11) HB2 LYS 115 - HE3 LYS 123 OK 20 96 - 21 - 7129/3.0=3, 7119/3.0=3...(12) HB2 LYS 123 - HE3 LYS 49 OK 15 100 - 15 - 2.9/7115=2, 2.9/7141=1...(6) HB2 LYS 123 - HE2 LYS 49 OK 15 100 - 15 - 2.9/7115=2, 2.9/7141=1...(6) HB VAL 104 - HE2 LYS 94 OK 13 79 - 17 - ~10234=8, 2.1/11308=3...(4) HB3 LYS 65 - HE2 LYS 94 OK 11 96 - 11 - HB2 LYS 65 - HE2 LYS 94 OK 11 96 - 11 - HB2 LEU 70 - HE2 LYS 94 poor 10 89 - 11 - ~11307=2, 10098/6.9=2...(5) HB2 LEU 70 - HE2 LYS 123 lone 6 96 - 6 - ~5031=1, 7119/3.0=1 HB2 LEU 70 - HE3 LYS 123 lone 6 93 - 6 - ~5031=1, 7119/3.0=1 HB3 LYS 115 - HE2 LYS 94 lone 5 96 - 5 - HB2 LYS 115 - HE2 LYS 94 lone 5 92 - 5 - HB2 LYS 123 - HE2 LYS 94 lone 4 96 - 4 - HB3 LYS 65 - HE3 LYS 49 lone 3 100 - 3 - HB3 LYS 65 - HE2 LYS 49 lone 3 100 - 3 - HB2 LYS 65 - HE2 LYS 49 lone 3 100 - 3 - HB2 LYS 65 - HE3 LYS 49 lone 3 100 - 3 - HB2 LYS 39 - HE3 LYS 49 lone 3 100 - 3 - HB2 LYS 39 - HE2 LYS 49 lone 3 100 - 3 - HB2 LYS 39 - HE2 LYS 94 lone 3 96 - 3 - HB3 LYS 40 - HE2 LYS 123 lone 3 90 - 3 - HB3 LYS 115 - HE3 LYS 49 lone 3 100 - 3 - HB3 LYS 115 - HE2 LYS 49 lone 3 100 - 3 - HB3 LYS 40 - HE3 LYS 123 lone 3 86 - 3 - HB2 LYS 115 - HE2 LYS 49 lone 2 98 - 2 - HB2 LYS 115 - HE3 LYS 49 lone 2 98 - 2 - HG2 MET 121 - HE2 LYS 123 lone 2 70 - 4 - HG2 MET 121 - HE3 LYS 123 lone 2 66 - 4 - HB3 LYS 39 - HE3 LYS 49 lone 2 80 - 3 - HB3 LYS 39 - HE2 LYS 49 lone 2 80 - 3 - HB VAL 104 - HE2 LYS 123 lone 2 87 - 3 - HB2 LEU 127 - HE2 LYS 123 lone 2 100 - 2 - HB2 LEU 127 - HE3 LYS 123 lone 2 99 - 2 - HB VAL 104 - HE3 LYS 123 lone 2 83 - 3 - HB3 LYS 39 - HE2 LYS 94 lone 2 73 - 3 - HB2 LEU 81 - HE2 LYS 123 lone 2 77 - 3 - HB3 LYS 17 - HE2 LYS 123 lone 2 87 - 2 - HB2 LEU 81 - HE3 LYS 123 lone 2 74 - 3 - HB3 LYS 17 - HE3 LYS 123 lone 2 83 - 2 - HB3 LYS 40 - HE2 LYS 94 lone 2 82 - 2 - HB VAL 29 - HE2 LYS 94 lone 2 55 - 3 - HB3 MET 42 - HE2 LYS 94 lone 2 66 - 3 - HB2 LEU 81 - HE2 LYS 94 lone 1 70 - 2 - HB2 LEU 81 - HE3 LYS 49 lone 1 76 - 2 - HB2 LEU 81 - HE2 LYS 49 lone 1 76 - 2 - HB2 LEU 70 - HE3 LYS 49 lone 1 95 - 1 - HB2 LEU 70 - HE2 LYS 49 lone 1 95 - 1 - HB3 GLU 41 - HE2 LYS 123 lone 1 77 - 1 - HB3 GLU 41 - HE3 LYS 123 lone 1 74 - 1 - HB2 GLU 41 - HE2 LYS 123 lone 1 73 - 1 - HB3 GLU 52 - HE2 LYS 123 lone 1 65 - 1 - HB2 GLU 41 - HE3 LYS 123 lone 1 70 - 1 - HB3 GLU 52 - HE3 LYS 123 lone 1 62 - 1 - HB VAL 29 - HE2 LYS 123 lone 1 61 - 1 - HB2 LEU 127 - HE2 LYS 94 lone 1 96 - 1 - HB VAL 29 - HE3 LYS 123 lone 1 58 - 1 - HB VAL 104 - HE2 LYS 49 lone 1 86 - 1 - HB VAL 104 - HE3 LYS 49 lone 1 86 - 1 - HB3 GLU 52 - HE3 LYS 49 lone 1 65 - 1 - HB3 GLU 52 - HE2 LYS 49 lone 1 65 - 1 - HB3 LYS 17 - HE2 LYS 94 lone 1 79 - 1 - HB3 LYS 40 - HE3 LYS 49 lone 1 89 - 1 - HB3 LYS 40 - HE2 LYS 49 lone 1 89 - 1 - HB3 MET 42 - HE2 LYS 123 lone 1 73 - 1 - HB ILE 15 - HE2 LYS 123 lone 1 61 - 1 - HB3 LYS 17 - HE3 LYS 49 lone 1 86 - 1 - HB3 LYS 17 - HE2 LYS 49 lone 1 86 - 1 - HB2 LEU 127 - HE2 LYS 49 lone 1 100 - 1 - HB2 LEU 127 - HE3 LYS 49 lone 1 100 - 1 - HB3 MET 42 - HE3 LYS 123 lone 1 70 - 1 - HB ILE 15 - HE3 LYS 123 lone 1 58 - 1 - HB3 GLU 52 - HE2 LYS 94 lone 1 58 - 1 - HB3 GLU 41 - HE2 LYS 94 lone 1 70 - 1 - HB VAL 29 - HE2 LYS 49 lone 1 61 - 1 - HB VAL 29 - HE3 LYS 49 lone 1 61 - 1 - HB2 GLU 41 - HE2 LYS 94 lone 0 66 - 1 - HB3 GLU 41 - HE3 LYS 49 lone 0 76 - 1 - HB3 GLU 41 - HE2 LYS 49 lone 0 76 - 1 - HB3 MET 42 - HE3 LYS 49 lone 0 73 - 1 - HB3 MET 42 - HE2 LYS 49 lone 0 73 - 1 - HB2 GLU 41 - HE2 LYS 49 lone 0 73 - 1 - HB2 GLU 41 - HE3 LYS 49 lone 0 73 - 1 - HG2 MET 121 - HE2 LYS 49 lone 0 69 - 1 - HG2 MET 121 - HE3 LYS 49 lone 0 69 - 1 - HG2 MET 121 - HE2 LYS 94 lone 0 62 - 1 - HB ILE 15 - HE2 LYS 94 lone 0 55 - 1 - HB ILE 15 - HE2 LYS 49 lone 0 61 - 1 - HB ILE 15 - HE3 LYS 49 lone 0 61 - 1 - Peak 7140 from cnoeabs.peaks (1.91, 3.01, 41.78 ppm; 4.28 A): 4 out of 95 assignments used, quality = 1.00: * HB3 LYS 123 + HE2 LYS 123 OK 98 100 - 98 - 5.1=60, 7093/3.0=30...(28) HB3 LYS 123 + HE3 LYS 123 OK 97 99 - 98 - 5.1=60, 7093/3.0=30...(28) HB2 LYS 49 + HE3 LYS 49 OK 72 76 - 95 - 5.1=58, ~4161=13...(30) HB2 LYS 49 + HE2 LYS 49 OK 72 76 - 95 - 5.1=58, ~4161=13...(30) HB2 LYS 44 - HE2 LYS 123 OK 30 100 - 31 - 7120/3.0=5, 7130/3.0=5...(13) HB2 LYS 44 - HE3 LYS 123 OK 30 98 - 31 - 7120/3.0=5, 7130/3.0=5...(14) HB3 LYS 44 - HE2 LYS 123 OK 29 96 - 31 - 7120/3.0=5, 7130/3.0=4...(14) HB3 LYS 44 - HE3 LYS 123 OK 28 93 - 31 - 7120/3.0=5, 7130/3.0=4...(14) HB2 LYS 115 - HE2 LYS 123 OK 16 81 - 20 - 7120/3.0=2, 7130/3.0=2...(10) HB2 LYS 115 - HE3 LYS 123 OK 15 77 - 20 - 7120/3.0=2, 7130/3.0=2...(10) HB3 LYS 123 - HE2 LYS 49 OK 14 100 - 14 - 2.9/7115=2, 7096=1...(6) HB3 LYS 123 - HE3 LYS 49 OK 14 100 - 14 - 2.9/7115=2, 7096=1...(6) HB3 LYS 65 - HE2 LYS 123 OK 14 61 - 23 - ~7129=3, ~7119=3...(11) HB3 LYS 65 - HE3 LYS 123 OK 13 58 - 23 - ~7129=3, ~7119=3...(11) HB2 LYS 43 - HE2 LYS 94 lone 7 90 - 8 - ~11106=3, ~8085=2 HB2 LYS 96 - HE2 LYS 123 lone 7 84 - 8 - 7120/3.0=1, 7130/3.0=1 HB2 LYS 96 - HE3 LYS 123 lone 6 80 - 8 - 7120/3.0=1, 7130/3.0=1 HB3 LYS 43 - HE2 LYS 94 lone 6 76 - 8 - ~11106=3, ~8085=2 HB2 LYS 96 - HE2 LYS 94 lone 5 76 - 7 - HB3 LYS 65 - HE2 LYS 94 lone 5 55 - 9 - HG2 MET 121 - HE2 LYS 123 lone 5 100 - 5 - 1811/7.0=1, 7120/3.0=1 HG2 MET 121 - HE3 LYS 123 lone 5 98 - 5 - 1811/7.0=1, 7120/3.0=1 HB2 LYS 49 - HE2 LYS 123 lone 5 77 - 6 - HB2 LYS 49 - HE3 LYS 123 lone 5 74 - 6 - HB2 LYS 44 - HE2 LYS 94 lone 4 95 - 4 - HB3 LYS 123 - HE2 LYS 94 lone 4 96 - 4 - HB3 LYS 44 - HE2 LYS 94 lone 4 89 - 4 - HB ILE 71 - HE2 LYS 123 lone 4 65 - 6 - 7120/3.0=2, 7130/3.0=1 HB2 LYS 43 - HE2 LYS 123 lone 4 97 - 4 - HB ILE 71 - HE3 LYS 123 lone 4 62 - 6 - 7120/3.0=2, 7130/3.0=1 HB2 LYS 43 - HE3 LYS 123 lone 4 94 - 4 - HB2 LYS 115 - HE2 LYS 94 lone 3 73 - 5 - HB2 LEU 81 - HE2 LYS 123 lone 3 99 - 3 - HB2 LEU 81 - HE3 LYS 123 lone 3 97 - 3 - HB3 LYS 43 - HE2 LYS 123 lone 3 84 - 3 - HB3 LYS 43 - HE3 LYS 123 lone 3 80 - 3 - HB3 LYS 17 - HE2 LYS 123 lone 3 96 - 3 - HB3 LYS 17 - HE3 LYS 123 lone 3 93 - 3 - HB2 LEU 81 - HE2 LYS 94 lone 2 93 - 2 - 9943/6.9=1 HB2 LEU 81 - HE2 LYS 49 lone 2 98 - 2 - HB2 LEU 81 - HE3 LYS 49 lone 2 98 - 2 - HB2 LYS 44 - HE3 LYS 49 lone 2 99 - 2 - HB2 LYS 44 - HE2 LYS 49 lone 2 99 - 2 - HB3 LYS 44 - HE3 LYS 49 lone 2 95 - 2 - HB3 LYS 44 - HE2 LYS 49 lone 2 95 - 2 - HB2 LYS 96 - HE3 LYS 49 lone 2 83 - 2 - HB2 LYS 96 - HE2 LYS 49 lone 2 83 - 2 - HB2 LYS 115 - HE2 LYS 49 lone 2 80 - 2 - HB2 LYS 115 - HE3 LYS 49 lone 2 80 - 2 - HB3 LYS 65 - HE3 LYS 49 lone 2 61 - 3 - HB3 LYS 65 - HE2 LYS 49 lone 2 61 - 3 - HB ILE 15 - HE2 LYS 123 lone 2 100 - 2 - HB ILE 15 - HE3 LYS 123 lone 2 99 - 2 - HB ILE 71 - HE2 LYS 49 lone 1 65 - 2 - HB ILE 71 - HE3 LYS 49 lone 1 65 - 2 - HB2 LEU 45 - HE2 LYS 123 lone 1 92 - 1 - HB2 LEU 45 - HE3 LYS 123 lone 1 89 - 1 - HB2 LYS 43 - HE3 LYS 49 lone 1 96 - 1 - HB2 LYS 43 - HE2 LYS 49 lone 1 96 - 1 - HB2 GLU 128 - HE2 LYS 123 lone 1 84 - 1 - HB2 ARG 95 - HE2 LYS 123 lone 1 70 - 1 - HB2 GLU 128 - HE3 LYS 123 lone 1 80 - 1 - HB2 ARG 95 - HE3 LYS 123 lone 1 66 - 1 - HB3 LYS 43 - HE2 LYS 49 lone 1 83 - 1 - HB3 LYS 43 - HE3 LYS 49 lone 1 83 - 1 - HB2 LEU 127 - HE2 LYS 123 lone 1 61 - 1 - HB2 LEU 45 - HE2 LYS 49 lone 1 91 - 1 - HB2 LEU 45 - HE3 LYS 49 lone 1 91 - 1 - HB2 LEU 127 - HE3 LYS 123 lone 1 58 - 1 - HG2 MET 121 - HE2 LYS 49 lone 1 99 - 1 - HG2 MET 121 - HE3 LYS 49 lone 1 99 - 1 - HB ILE 71 - HE2 LYS 94 lone 1 58 - 1 - HB2 LYS 49 - HE2 LYS 94 lone 1 70 - 1 - HB2 LYS 73 - HE2 LYS 123 lone 1 61 - 1 - HB ILE 15 - HE3 LYS 49 lone 1 100 - 1 - HB ILE 15 - HE2 LYS 49 lone 1 100 - 1 - HB3 LYS 17 - HE2 LYS 94 lone 1 89 - 1 - HB2 ARG 95 - HE2 LYS 94 lone 1 62 - 1 - HB3 LYS 17 - HE2 LYS 49 lone 1 95 - 1 - HB3 LYS 17 - HE3 LYS 49 lone 1 95 - 1 - HB2 LYS 73 - HE3 LYS 123 lone 1 58 - 1 - HB2 LEU 45 - HE2 LYS 94 lone 1 84 - 1 - HB ILE 15 - HE2 LYS 94 lone 1 96 - 1 - HG2 MET 121 - HE2 LYS 94 lone 1 95 - 1 - HB2 GLU 128 - HE2 LYS 49 lone 1 83 - 1 - HB2 GLU 128 - HE3 LYS 49 lone 1 83 - 1 - HB2 LYS 73 - HE2 LYS 49 lone 1 61 - 1 - HB2 LYS 73 - HE3 LYS 49 lone 1 61 - 1 - HB2 LYS 73 - HE2 LYS 94 lone 1 55 - 1 - HB2 ARG 95 - HE2 LYS 49 lone 1 69 - 1 - HB2 ARG 95 - HE3 LYS 49 lone 1 69 - 1 - HB2 GLU 128 - HE2 LYS 94 lone 0 76 - 1 - HB2 LEU 127 - HE2 LYS 94 lone 0 55 - 1 - HB2 LEU 127 - HE3 LYS 49 lone 0 61 - 1 - HB2 LEU 127 - HE2 LYS 49 lone 0 61 - 1 - Peak 7141 from cnoeabs.peaks (1.57, 3.01, 41.78 ppm; 3.69 A): 2 out of 70 assignments used, quality = 1.00: * HG2 LYS 123 + HE2 LYS 123 OK 98 100 - 98 - 3.9=86, 7104/3.0=29...(30) HG2 LYS 123 + HE3 LYS 123 OK 97 99 - 98 - 3.9=86, 7104/3.0=29...(30) HG2 LYS 44 - HE2 LYS 123 OK 15 97 - 15 - ~7120=2, ~7130=1...(4) HG2 LYS 44 - HE3 LYS 123 OK 15 94 - 16 - ~7120=2, ~7130=1...(5) HG2 LYS 123 - HE3 LYS 49 OK 12 100 - 12 - 1.8/7115=2, ~7115=1, ~7116=1 HG2 LYS 123 - HE2 LYS 49 OK 12 100 - 12 - 1.8/7115=2, ~7115=1, ~7116=1 HG2 LYS 115 - HE2 LYS 123 poor 9 81 - 11 - HG2 LYS 115 - HE3 LYS 123 poor 9 77 - 11 - 3.0/7086=1 HB3 LEU 70 - HE2 LYS 94 lone 6 93 - 6 - ~11307=1, 3.1/11308=1...(4) HG3 LYS 96 - HE2 LYS 123 lone 5 99 - 5 - HG3 LYS 96 - HE3 LYS 123 lone 5 97 - 5 - HB3 LEU 70 - HE2 LYS 123 lone 4 99 - 4 - HB3 LEU 70 - HE3 LYS 123 lone 4 97 - 4 - HG3 LYS 96 - HE2 LYS 94 lone 3 93 - 3 - HG2 LYS 123 - HE2 LYS 94 lone 3 96 - 3 - HG2 LYS 44 - HE2 LYS 94 lone 2 90 - 2 - HG2 LYS 115 - HE2 LYS 94 lone 2 73 - 3 - HG12 ILE 3 - HE2 LYS 123 lone 2 81 - 2 - ~11523=2 HG12 ILE 3 - HE3 LYS 123 lone 2 77 - 2 - ~11523=2 HG3 LYS 96 - HE2 LYS 49 lone 2 98 - 2 - HG3 LYS 96 - HE3 LYS 49 lone 2 98 - 2 - HG2 LYS 115 - HE3 LYS 49 lone 1 80 - 2 - HG2 LYS 115 - HE2 LYS 49 lone 1 80 - 2 - HG2 LYS 44 - HE2 LYS 49 lone 1 96 - 1 - HG2 LYS 44 - HE3 LYS 49 lone 1 96 - 1 - HG LEU 55 - HE2 LYS 94 lone 1 87 - 1 - HG LEU 68 - HE2 LYS 123 lone 1 84 - 1 - HB3 LEU 70 - HE2 LYS 49 lone 1 98 - 1 - HB3 LEU 70 - HE3 LYS 49 lone 1 98 - 1 - HG LEU 68 - HE3 LYS 123 lone 1 80 - 1 - HG12 ILE 116 - HE2 LYS 123 lone 1 94 - 1 - HG12 ILE 116 - HE3 LYS 123 lone 1 91 - 1 - HD3 LYS 106 - HE2 LYS 123 lone 1 84 - 1 - HD3 LYS 106 - HE3 LYS 123 lone 1 80 - 1 - HD2 LYS 106 - HE2 LYS 123 lone 1 81 - 1 - HD2 LYS 106 - HE3 LYS 123 lone 1 77 - 1 - HD3 LYS 106 - HE2 LYS 94 lone 1 76 - 1 - HD3 LYS 106 - HE2 LYS 49 lone 0 83 - 1 - HD3 LYS 106 - HE3 LYS 49 lone 0 83 - 1 - HG LEU 68 - HE2 LYS 94 lone 0 76 - 1 - HD2 LYS 106 - HE2 LYS 94 lone 0 73 - 1 - HG LEU 55 - HE2 LYS 123 lone 0 94 - 0 - HD2 LYS 106 - HE2 LYS 49 lone 0 80 - 1 - HD2 LYS 106 - HE3 LYS 49 lone 0 80 - 1 - HG LEU 55 - HE3 LYS 123 lone 0 91 - 0 - HG LEU 55 - HE2 LYS 49 lone 0 93 - 0 - HG LEU 55 - HE3 LYS 49 lone 0 93 - 0 - HG12 ILE 116 - HE2 LYS 94 lone 0 87 - 1 - HG12 ILE 116 - HE2 LYS 49 lone 0 93 - 0 - HG12 ILE 116 - HE3 LYS 49 lone 0 93 - 0 - HD2 LYS 19 - HE2 LYS 123 lone 0 61 - 1 - HD3 LYS 19 - HE2 LYS 123 lone 0 61 - 1 - HG LEU 68 - HE3 LYS 49 lone 0 83 - 0 - HG LEU 68 - HE2 LYS 49 lone 0 83 - 0 - HD3 LYS 19 - HE3 LYS 123 lone 0 58 - 1 - HD2 LYS 19 - HE3 LYS 123 lone 0 58 - 1 - HG12 ILE 3 - HE2 LYS 49 lone 0 80 - 0 - HG12 ILE 3 - HE3 LYS 49 lone 0 80 - 0 - HG12 ILE 3 - HE2 LYS 94 lone 0 73 - 0 - HB VAL 78 - HE2 LYS 123 lone 0 65 - 0 - HB VAL 78 - HE3 LYS 123 lone 0 62 - 0 - HB VAL 78 - HE2 LYS 49 lone 0 65 - 0 - HB VAL 78 - HE3 LYS 49 lone 0 65 - 0 - HD2 LYS 19 - HE2 LYS 94 lone 0 55 - 0 - HD3 LYS 19 - HE2 LYS 94 lone 0 55 - 0 - HD2 LYS 19 - HE3 LYS 49 lone 0 61 - 0 - HD3 LYS 19 - HE3 LYS 49 lone 0 61 - 0 - HD2 LYS 19 - HE2 LYS 49 lone 0 61 - 0 - HD3 LYS 19 - HE2 LYS 49 lone 0 61 - 0 - HB VAL 78 - HE2 LYS 94 lone 0 58 - 0 - Peak 7142 from cnoeabs.peaks (1.70, 3.01, 41.78 ppm; 2.69 A): 4 out of 120 assignments used, quality = 0.94: * HG3 LYS 123 + HE2 LYS 123 OK 73 100 - 73 - 3.9=34, 7114/3.0=17...(23) HG3 LYS 123 + HE3 LYS 123 OK 72 99 - 73 - 3.9=34, 7114/3.0=17...(23) HG3 LYS 39 + HE2 LYS 123 OK 13 100 - 13 - 7114/3.0=2, 7122/3.0=2...(4) HG3 LYS 39 + HE3 LYS 123 OK 12 99 - 13 - 7114/3.0=2, 7122/3.0=2...(4) HD3 LYS 39 - HE2 LYS 123 lone 9 98 - 9 - 7132/3.0=1, 7122/3.0=1 HD2 LYS 39 - HE2 LYS 123 lone 9 97 - 9 - 7132/3.0=1, 7122/3.0=1 HD3 LYS 39 - HE3 LYS 123 lone 9 96 - 9 - 7132/3.0=1, 7122/3.0=1 HD2 LYS 39 - HE3 LYS 123 lone 9 94 - 9 - 7132/3.0=1, 7122/3.0=1 HB ILE 56 - HE2 LYS 94 lone 8 84 - 9 - ~9551=2, 10948/3.0=2 HD2 LYS 44 - HE2 LYS 123 lone 7 100 - 7 - 7122/3.0=1, 7132/3.0=1 HD3 LYS 44 - HE2 LYS 123 lone 7 99 - 7 - 7122/3.0=1, 7132/3.0=1 HD2 LYS 44 - HE3 LYS 123 lone 7 98 - 7 - 7122/3.0=1, 7132/3.0=1 HD3 LYS 44 - HE3 LYS 123 lone 7 97 - 7 - 7122/3.0=1, 7132/3.0=1 HG3 LYS 123 - HE2 LYS 49 lone 6 100 - 6 - HG3 LYS 123 - HE3 LYS 49 lone 6 100 - 6 - HG12 ILE 71 - HE2 LYS 123 lone 3 99 - 3 - HG12 ILE 71 - HE3 LYS 123 lone 3 97 - 3 - HD3 LYS 96 - HE2 LYS 123 lone 2 73 - 2 - HD3 LYS 96 - HE3 LYS 123 lone 2 70 - 2 - HG3 LYS 123 - HE2 LYS 94 lone 2 96 - 2 - HD2 LYS 96 - HE2 LYS 123 lone 2 65 - 2 - HD2 LYS 96 - HE3 LYS 123 lone 1 62 - 2 - HD3 LYS 96 - HE2 LYS 94 lone 1 66 - 2 - HD3 LYS 16 - HE2 LYS 123 lone 1 92 - 1 - HD3 LYS 16 - HE3 LYS 123 lone 1 89 - 1 - HD2 LYS 96 - HE2 LYS 94 lone 1 58 - 2 - HD3 LYS 44 - HE2 LYS 94 lone 1 94 - 1 - HD2 LYS 44 - HE2 LYS 94 lone 1 95 - 1 - HG3 LYS 39 - HE3 LYS 49 lone 1 100 - 1 - HG3 LYS 39 - HE2 LYS 49 lone 1 100 - 1 - HD2 LYS 16 - HE2 LYS 123 lone 1 84 - 1 - HD2 LYS 16 - HE3 LYS 123 lone 1 80 - 1 - HD3 LYS 39 - HE2 LYS 49 lone 1 98 - 1 - HD3 LYS 39 - HE3 LYS 49 lone 1 98 - 1 - HD2 LYS 39 - HE2 LYS 49 lone 1 96 - 1 - HD2 LYS 39 - HE3 LYS 49 lone 1 96 - 1 - HG3 LYS 39 - HE2 LYS 94 lone 1 96 - 1 - HG LEU 74 - HE2 LYS 123 lone 1 99 - 1 - HG LEU 74 - HE3 LYS 123 lone 1 97 - 1 - HD2 LYS 20 - HE2 LYS 123 lone 1 90 - 1 - HD2 LYS 17 - HE2 LYS 123 lone 1 65 - 1 - HD3 LYS 43 - HE2 LYS 94 lone 1 70 - 1 - HD2 LYS 20 - HE3 LYS 123 lone 1 86 - 1 - HD2 LYS 17 - HE3 LYS 123 lone 1 62 - 1 - HD3 LYS 20 - HE2 LYS 123 lone 1 87 - 1 - HD3 LYS 20 - HE3 LYS 123 lone 0 83 - 1 - HD3 LYS 39 - HE2 LYS 94 lone 0 92 - 0 - HD2 LYS 39 - HE2 LYS 94 lone 0 90 - 0 - HD3 LYS 96 - HE3 LYS 49 lone 0 73 - 1 - HD3 LYS 96 - HE2 LYS 49 lone 0 73 - 1 - HD3 LYS 43 - HE2 LYS 123 lone 0 77 - 1 - HG12 ILE 71 - HE3 LYS 49 lone 0 98 - 0 - HG12 ILE 71 - HE2 LYS 49 lone 0 98 - 0 - HD3 LYS 43 - HE3 LYS 123 lone 0 74 - 1 - HD2 LYS 44 - HE3 LYS 49 lone 0 100 - 0 - HD2 LYS 44 - HE2 LYS 49 lone 0 100 - 0 - HD3 LYS 44 - HE2 LYS 49 lone 0 99 - 0 - HD3 LYS 44 - HE3 LYS 49 lone 0 99 - 0 - HD2 LYS 96 - HE3 LYS 49 lone 0 65 - 1 - HD2 LYS 96 - HE2 LYS 49 lone 0 65 - 1 - HD2 LYS 20 - HE2 LYS 94 lone 0 82 - 0 - HD2 LYS 73 - HE2 LYS 123 lone 0 81 - 0 - HD3 LYS 20 - HE2 LYS 94 lone 0 79 - 0 - HD2 LYS 73 - HE3 LYS 123 lone 0 77 - 0 - HD3 LYS 73 - HE2 LYS 123 lone 0 77 - 0 - HD3 LYS 16 - HE2 LYS 94 lone 0 84 - 0 - HD2 LYS 20 - HE3 LYS 49 lone 0 89 - 0 - HD2 LYS 20 - HE2 LYS 49 lone 0 89 - 0 - HD2 LYS 40 - HE2 LYS 123 lone 0 70 - 0 - HD3 LYS 73 - HE3 LYS 123 lone 0 74 - 0 - HB ILE 54 - HE2 LYS 94 lone 0 62 - 1 - HB3 LYS 106 - HE2 LYS 123 lone 0 73 - 0 - HD3 LYS 20 - HE2 LYS 49 lone 0 86 - 0 - HD3 LYS 20 - HE3 LYS 49 lone 0 86 - 0 - HD2 LYS 40 - HE3 LYS 123 lone 0 66 - 0 - HD2 LYS 16 - HE2 LYS 94 lone 0 76 - 0 - HB3 LYS 106 - HE3 LYS 123 lone 0 70 - 0 - HD3 LYS 40 - HE2 LYS 123 lone 0 65 - 0 - HB2 LYS 106 - HE2 LYS 123 lone 0 65 - 0 - HB ILE 56 - HE2 LYS 123 lone 0 92 - 0 - HD3 LYS 40 - HE3 LYS 123 lone 0 62 - 0 - HB ILE 56 - HE3 LYS 123 lone 0 89 - 0 - HB2 LYS 106 - HE3 LYS 123 lone 0 62 - 0 - HD2 LYS 40 - HE2 LYS 94 lone 0 62 - 0 - HG12 ILE 71 - HE2 LYS 94 lone 0 93 - 0 - HD3 LYS 40 - HE2 LYS 94 lone 0 58 - 0 - HG LEU 74 - HE2 LYS 49 lone 0 98 - 0 - HG LEU 74 - HE3 LYS 49 lone 0 98 - 0 - HD2 LYS 73 - HE2 LYS 94 lone 0 73 - 0 - HB3 LYS 106 - HE2 LYS 49 lone 0 73 - 0 - HB3 LYS 106 - HE3 LYS 49 lone 0 73 - 0 - HB3 LYS 106 - HE2 LYS 94 lone 0 66 - 0 - HD3 LYS 73 - HE2 LYS 94 lone 0 70 - 0 - HD3 LYS 16 - HE3 LYS 49 lone 0 91 - 0 - HD3 LYS 16 - HE2 LYS 49 lone 0 91 - 0 - HG LEU 74 - HE2 LYS 94 lone 0 93 - 0 - HD2 LYS 73 - HE2 LYS 49 lone 0 80 - 0 - HD2 LYS 73 - HE3 LYS 49 lone 0 80 - 0 - HB2 LYS 106 - HE2 LYS 49 lone 0 65 - 0 - HB2 LYS 106 - HE3 LYS 49 lone 0 65 - 0 - HD2 LYS 16 - HE2 LYS 49 lone 0 83 - 0 - HD2 LYS 16 - HE3 LYS 49 lone 0 83 - 0 - HD2 LYS 17 - HE3 LYS 49 lone 0 65 - 0 - HD2 LYS 17 - HE2 LYS 49 lone 0 65 - 0 - HB ILE 56 - HE3 LYS 49 lone 0 91 - 0 - HB ILE 56 - HE2 LYS 49 lone 0 91 - 0 - HD3 LYS 73 - HE3 LYS 49 lone 0 76 - 0 - HD3 LYS 73 - HE2 LYS 49 lone 0 76 - 0 - HD3 LYS 43 - HE3 LYS 49 lone 0 76 - 0 - HD3 LYS 43 - HE2 LYS 49 lone 0 76 - 0 - HB ILE 54 - HE2 LYS 123 lone 0 70 - 0 - HB2 LYS 106 - HE2 LYS 94 lone 0 58 - 0 - HB ILE 54 - HE3 LYS 123 lone 0 66 - 0 - HD2 LYS 17 - HE2 LYS 94 lone 0 58 - 0 - HB ILE 54 - HE2 LYS 49 lone 0 69 - 0 - HB ILE 54 - HE3 LYS 49 lone 0 69 - 0 - HD2 LYS 40 - HE3 LYS 49 lone 0 69 - 0 - HD2 LYS 40 - HE2 LYS 49 lone 0 69 - 0 - HD3 LYS 40 - HE3 LYS 49 lone 0 65 - 0 - HD3 LYS 40 - HE2 LYS 49 lone 0 65 - 0 - Peak 7143 from cnoeabs.peaks (1.84, 3.01, 41.78 ppm; 4.79 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 123 + HE2 LYS 123 OK 100 100 - 100 - 3.0=100 HD2 LYS 123 + HE3 LYS 123 OK 99 99 - 100 - 3.0=100 Peak 7144 from cnoeabs.peaks (1.75, 3.01, 41.78 ppm; 3.16 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 123 + HE2 LYS 123 OK 100 100 - 100 - 3.0=100 HD3 LYS 123 + HE3 LYS 123 OK 99 99 - 100 - 3.0=100 Peak 7145 from cnoeabs.peaks (3.01, 3.01, 41.78 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HE2 LYS 123 + HE2 LYS 123 OK 100 100 - 100 HE3 LYS 49 + HE3 LYS 49 OK 100 100 - 100 HE2 LYS 49 + HE2 LYS 49 OK 100 100 - 100 HE3 LYS 123 + HE3 LYS 123 OK 97 97 - 100 HE2 LYS 94 + HE2 LYS 94 OK 92 92 - 100 Peak 7146 from cnoeabs.peaks (3.01, 3.01, 41.78 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HE2 LYS 123 + HE2 LYS 123 OK 99 99 - 100 HE3 LYS 123 + HE3 LYS 123 OK 99 99 - 100 HE2 LYS 49 + HE2 LYS 49 OK 98 98 - 100 HE3 LYS 49 + HE3 LYS 49 OK 98 98 - 100 HE2 LYS 94 + HE2 LYS 94 OK 84 84 - 100 Reference assignment not found: HE3 LYS 123 - HE2 LYS 123 Peak 7149 from cnoeabs.peaks (1.93, 3.01, 41.78 ppm; 4.30 A): 2 out of 100 assignments used, quality = 1.00: * HB2 LYS 123 + HE3 LYS 123 OK 98 100 - 98 - 5.1=61, 7083/3.0=21...(27) HB2 LYS 123 + HE2 LYS 123 OK 96 99 - 98 - 5.1=61, 7083/3.0=21...(27) HB2 LYS 39 - HE3 LYS 123 OK 34 100 - 35 - 7119/3.0=4, 7129/3.0=4...(17) HB2 LYS 39 - HE2 LYS 123 OK 34 99 - 34 - 7119/3.0=4, 7129/3.0=4...(17) HB2 LYS 65 - HE3 LYS 123 OK 30 100 - 31 - 7129/3.0=4, 7119/3.0=4...(14) HB2 LYS 65 - HE2 LYS 123 OK 30 99 - 31 - 7129/3.0=4, 7119/3.0=4...(14) HB3 LYS 65 - HE3 LYS 123 OK 28 100 - 29 - 7129/3.0=4, 7119/3.0=4...(12) HB3 LYS 65 - HE2 LYS 123 OK 28 99 - 29 - 7129/3.0=4, 7119/3.0=4...(12) HB3 LYS 39 - HE3 LYS 123 OK 28 81 - 35 - 7119/3.0=3, 7129/3.0=3...(20) HB3 LYS 39 - HE2 LYS 123 OK 26 77 - 34 - 7119/3.0=3, 7129/3.0=3...(19) HB3 LYS 115 - HE3 LYS 123 OK 26 100 - 26 - 7129/3.0=3, 7119/3.0=3...(12) HB3 LYS 115 - HE2 LYS 123 OK 25 99 - 25 - 7129/3.0=3, 7119/3.0=3...(11) HB2 LYS 115 - HE3 LYS 123 OK 21 98 - 21 - 7129/3.0=3, 7119/3.0=3...(12) HB2 LYS 115 - HE2 LYS 123 OK 20 96 - 21 - 7129/3.0=3, 7119/3.0=3...(10) HB2 LYS 123 - HE2 LYS 49 OK 14 96 - 15 - 2.9/7115=2, 2.9/7151=1...(6) HB2 LYS 123 - HE3 LYS 49 OK 14 96 - 15 - 2.9/7115=2, 2.9/7151=1...(6) HB VAL 104 - HE2 LYS 94 OK 10 66 - 16 - ~10234=8, 10098/6.9=3...(4) HB3 LYS 65 - HE2 LYS 94 poor 9 83 - 11 - HB2 LYS 65 - HE2 LYS 94 poor 9 83 - 11 - HB2 LEU 70 - HE2 LYS 94 poor 7 75 - 10 - ~11307=2, 10098/6.9=2...(5) HB2 LEU 70 - HE3 LYS 123 lone 6 96 - 6 - ~5031=1, 7119/3.0=1 HB2 LEU 70 - HE2 LYS 123 lone 6 93 - 6 - ~5031=1, 7119/3.0=1 HB3 LYS 115 - HE2 LYS 94 lone 4 83 - 5 - HB2 LYS 115 - HE2 LYS 94 lone 4 78 - 5 - HB2 LYS 123 - HE2 LYS 94 lone 4 83 - 4 - HB2 LYS 65 - HE3 LYS 49 lone 3 96 - 3 - HB2 LYS 65 - HE2 LYS 49 lone 3 96 - 3 - HB3 LYS 65 - HE2 LYS 49 lone 3 96 - 3 - HB3 LYS 65 - HE3 LYS 49 lone 3 96 - 3 - HB2 LYS 39 - HE2 LYS 49 lone 3 96 - 3 - HB2 LYS 39 - HE3 LYS 49 lone 3 96 - 3 - HB3 LYS 40 - HE3 LYS 123 lone 3 90 - 3 - HB3 LYS 40 - HE2 LYS 123 lone 3 86 - 3 - HB3 LYS 115 - HE2 LYS 49 lone 3 96 - 3 - HB3 LYS 115 - HE3 LYS 49 lone 3 96 - 3 - HG2 MET 121 - HE3 LYS 123 lone 2 70 - 4 - HG2 MET 121 - HE2 LYS 123 lone 2 66 - 4 - HB2 LYS 39 - HE2 LYS 94 lone 2 83 - 3 - HB2 LYS 115 - HE3 LYS 49 lone 2 92 - 2 - HB2 LYS 115 - HE2 LYS 49 lone 2 92 - 2 - HB2 LEU 127 - HE3 LYS 123 lone 2 100 - 2 - HB VAL 104 - HE3 LYS 123 lone 2 87 - 2 - HB2 LEU 127 - HE2 LYS 123 lone 2 99 - 2 - HB3 LYS 39 - HE3 LYS 49 lone 2 73 - 3 - HB3 LYS 39 - HE2 LYS 49 lone 2 73 - 3 - HB2 LEU 81 - HE3 LYS 123 lone 2 77 - 3 - HB VAL 104 - HE2 LYS 123 lone 2 83 - 2 - HB3 LYS 17 - HE3 LYS 123 lone 2 87 - 2 - HB2 LEU 81 - HE2 LYS 123 lone 2 74 - 3 - HB3 LYS 17 - HE2 LYS 123 lone 2 83 - 2 - HB3 LYS 39 - HE2 LYS 94 lone 2 60 - 3 - HB3 LYS 40 - HE2 LYS 94 lone 2 68 - 2 - HB3 MET 42 - HE2 LYS 94 lone 1 54 - 3 - HB VAL 29 - HE2 LYS 94 lone 1 44 - 3 - HB2 LEU 81 - HE2 LYS 49 lone 1 70 - 2 - HB2 LEU 81 - HE3 LYS 49 lone 1 70 - 2 - HB2 LEU 81 - HE2 LYS 94 lone 1 57 - 2 - HB3 GLU 41 - HE3 LYS 123 lone 1 77 - 1 - HB2 LEU 70 - HE2 LYS 49 lone 1 89 - 1 - HB2 LEU 70 - HE3 LYS 49 lone 1 89 - 1 - HB3 GLU 41 - HE2 LYS 123 lone 1 74 - 1 - HB2 GLU 41 - HE3 LYS 123 lone 1 73 - 1 - HB3 GLU 52 - HE3 LYS 123 lone 1 65 - 1 - HB2 GLU 41 - HE2 LYS 123 lone 1 70 - 1 - HB3 GLU 52 - HE2 LYS 123 lone 1 62 - 1 - HB VAL 29 - HE3 LYS 123 lone 1 61 - 1 - HB VAL 29 - HE2 LYS 123 lone 1 58 - 1 - HB2 LEU 127 - HE2 LYS 94 lone 1 83 - 1 - HB VAL 104 - HE3 LYS 49 lone 1 79 - 1 - HB VAL 104 - HE2 LYS 49 lone 1 79 - 1 - HB3 GLU 52 - HE3 LYS 49 lone 1 58 - 1 - HB3 GLU 52 - HE2 LYS 49 lone 1 58 - 1 - HB ILE 15 - HE3 LYS 123 lone 1 61 - 1 - HB3 MET 42 - HE3 LYS 123 lone 1 73 - 1 - HB3 LYS 40 - HE3 LYS 49 lone 1 82 - 1 - HB3 LYS 40 - HE2 LYS 49 lone 1 82 - 1 - HB ILE 15 - HE2 LYS 123 lone 1 58 - 1 - HB3 MET 42 - HE2 LYS 123 lone 1 70 - 1 - HB2 LEU 127 - HE3 LYS 49 lone 1 96 - 1 - HB2 LEU 127 - HE2 LYS 49 lone 1 96 - 1 - HB3 LYS 17 - HE2 LYS 94 lone 1 66 - 1 - HB3 LYS 17 - HE3 LYS 49 lone 1 79 - 1 - HB3 LYS 17 - HE2 LYS 49 lone 1 79 - 1 - HB3 GLU 52 - HE2 LYS 94 lone 0 47 - 1 - HB VAL 29 - HE2 LYS 49 lone 0 55 - 1 - HB VAL 29 - HE3 LYS 49 lone 0 55 - 1 - HB3 GLU 41 - HE3 LYS 49 lone 0 70 - 1 - HB3 GLU 41 - HE2 LYS 49 lone 0 70 - 1 - HB3 MET 42 - HE3 LYS 49 lone 0 66 - 1 - HB3 MET 42 - HE2 LYS 49 lone 0 66 - 1 - HB3 GLU 41 - HE2 LYS 94 lone 0 57 - 1 - HB2 GLU 41 - HE3 LYS 49 lone 0 66 - 1 - HB2 GLU 41 - HE2 LYS 49 lone 0 66 - 1 - HB2 GLU 41 - HE2 LYS 94 lone 0 54 - 1 - HG2 MET 121 - HE2 LYS 49 lone 0 62 - 1 - HG2 MET 121 - HE3 LYS 49 lone 0 62 - 1 - HG2 MET 121 - HE2 LYS 94 lone 0 51 - 1 - HB ILE 15 - HE2 LYS 49 lone 0 55 - 1 - HB ILE 15 - HE3 LYS 49 lone 0 55 - 1 - HB ILE 15 - HE2 LYS 94 lone 0 44 - 1 - Peak 7150 from cnoeabs.peaks (1.91, 3.01, 41.78 ppm; 4.28 A): 4 out of 95 assignments used, quality = 1.00: * HB3 LYS 123 + HE3 LYS 123 OK 98 100 - 98 - 5.1=60, 7093/3.0=30...(28) HB3 LYS 123 + HE2 LYS 123 OK 97 99 - 98 - 5.1=60, 7093/3.0=30...(28) HB2 LYS 49 + HE3 LYS 49 OK 66 70 - 95 - 5.1=58, ~4161=13...(30) HB2 LYS 49 + HE2 LYS 49 OK 66 70 - 95 - 5.1=58, ~4161=13...(30) HB2 LYS 44 - HE3 LYS 123 OK 30 100 - 31 - 7120/3.0=5, 7130/3.0=5...(14) HB2 LYS 44 - HE2 LYS 123 OK 30 98 - 31 - 7120/3.0=5, 7130/3.0=5...(13) HB3 LYS 44 - HE3 LYS 123 OK 29 96 - 31 - 7120/3.0=5, 7130/3.0=4...(14) HB3 LYS 44 - HE2 LYS 123 OK 28 93 - 31 - 7120/3.0=5, 7130/3.0=4...(14) HB2 LYS 115 - HE3 LYS 123 OK 16 81 - 20 - 7120/3.0=2, 7130/3.0=2...(11) HB2 LYS 115 - HE2 LYS 123 OK 15 77 - 19 - 7120/3.0=2, 7130/3.0=2...(9) HB3 LYS 65 - HE3 LYS 123 OK 14 61 - 23 - ~7129=3, ~7119=3...(11) HB3 LYS 123 - HE3 LYS 49 OK 14 96 - 14 - 2.9/7115=2, 7096=1...(6) HB3 LYS 123 - HE2 LYS 49 OK 14 96 - 14 - 2.9/7115=2, 7096=1...(6) HB3 LYS 65 - HE2 LYS 123 OK 13 58 - 23 - ~7129=3, ~7119=3...(11) HB2 LYS 96 - HE3 LYS 123 lone 7 84 - 8 - 7120/3.0=1, 7130/3.0=1 HB2 LYS 96 - HE2 LYS 123 lone 6 80 - 8 - 7120/3.0=1, 7130/3.0=1 HB2 LYS 43 - HE2 LYS 94 lone 6 77 - 8 - ~11106=3, ~8085=2 HG2 MET 121 - HE3 LYS 123 lone 5 100 - 5 - 1811/7.0=1, 7120/3.0=1 HB3 LYS 43 - HE2 LYS 94 lone 5 63 - 8 - ~11106=3, ~8085=2 HG2 MET 121 - HE2 LYS 123 lone 5 98 - 5 - 1811/7.0=1, 7120/3.0=1 HB2 LYS 49 - HE3 LYS 123 lone 5 77 - 6 - HB2 LYS 49 - HE2 LYS 123 lone 5 74 - 6 - HB2 LYS 96 - HE2 LYS 94 lone 4 63 - 7 - HB3 LYS 65 - HE2 LYS 94 lone 4 44 - 9 - HB ILE 71 - HE3 LYS 123 lone 4 65 - 6 - 7120/3.0=2, 7130/3.0=1 HB2 LYS 44 - HE2 LYS 94 lone 4 82 - 4 - HB2 LYS 43 - HE3 LYS 123 lone 4 97 - 4 - HB2 LYS 43 - HE2 LYS 123 lone 4 94 - 4 - HB ILE 71 - HE2 LYS 123 lone 4 62 - 6 - 7120/3.0=2, 7130/3.0=1 HB3 LYS 123 - HE2 LYS 94 lone 4 83 - 4 - HB3 LYS 44 - HE2 LYS 94 lone 3 75 - 4 - HB2 LEU 81 - HE3 LYS 123 lone 3 99 - 3 - HB2 LEU 81 - HE2 LYS 123 lone 3 97 - 3 - HB3 LYS 43 - HE3 LYS 123 lone 3 84 - 3 - HB3 LYS 43 - HE2 LYS 123 lone 3 80 - 3 - HB2 LYS 115 - HE2 LYS 94 lone 3 60 - 5 - HB3 LYS 17 - HE3 LYS 123 lone 3 96 - 3 - HB3 LYS 17 - HE2 LYS 123 lone 3 93 - 3 - HB2 LYS 44 - HE3 LYS 49 lone 2 95 - 2 - HB2 LYS 44 - HE2 LYS 49 lone 2 95 - 2 - HB2 LEU 81 - HE2 LYS 49 lone 2 93 - 2 - HB2 LEU 81 - HE3 LYS 49 lone 2 93 - 2 - HB2 LEU 81 - HE2 LYS 94 lone 2 80 - 2 - 9943/6.9=1 HB3 LYS 44 - HE2 LYS 49 lone 2 89 - 2 - HB3 LYS 44 - HE3 LYS 49 lone 2 89 - 2 - HB2 LYS 96 - HE2 LYS 49 lone 2 76 - 2 - HB2 LYS 96 - HE3 LYS 49 lone 2 76 - 2 - HB ILE 15 - HE3 LYS 123 lone 2 100 - 2 - HB2 LYS 115 - HE3 LYS 49 lone 2 73 - 2 - HB2 LYS 115 - HE2 LYS 49 lone 2 73 - 2 - HB ILE 15 - HE2 LYS 123 lone 2 99 - 2 - HB3 LYS 65 - HE2 LYS 49 lone 2 55 - 3 - HB3 LYS 65 - HE3 LYS 49 lone 2 55 - 3 - HB2 LEU 45 - HE3 LYS 123 lone 1 92 - 1 - HB2 LEU 45 - HE2 LYS 123 lone 1 89 - 1 - HB ILE 71 - HE3 LYS 49 lone 1 58 - 2 - HB ILE 71 - HE2 LYS 49 lone 1 58 - 2 - HB2 GLU 128 - HE3 LYS 123 lone 1 84 - 1 - HB2 ARG 95 - HE3 LYS 123 lone 1 70 - 1 - HB2 GLU 128 - HE2 LYS 123 lone 1 80 - 1 - HB2 LYS 43 - HE3 LYS 49 lone 1 90 - 1 - HB2 LYS 43 - HE2 LYS 49 lone 1 90 - 1 - HB2 ARG 95 - HE2 LYS 123 lone 1 66 - 1 - HB2 LEU 127 - HE3 LYS 123 lone 1 61 - 1 - HB2 LEU 127 - HE2 LYS 123 lone 1 58 - 1 - HB2 LYS 73 - HE3 LYS 123 lone 1 61 - 1 - HB3 LYS 43 - HE2 LYS 49 lone 1 76 - 1 - HB3 LYS 43 - HE3 LYS 49 lone 1 76 - 1 - HB2 LEU 45 - HE2 LYS 49 lone 1 84 - 1 - HB2 LEU 45 - HE3 LYS 49 lone 1 84 - 1 - HG2 MET 121 - HE2 LYS 49 lone 1 95 - 1 - HG2 MET 121 - HE3 LYS 49 lone 1 95 - 1 - HB2 LYS 73 - HE2 LYS 123 lone 1 58 - 1 - HB ILE 15 - HE2 LYS 49 lone 1 96 - 1 - HB ILE 15 - HE3 LYS 49 lone 1 96 - 1 - HB3 LYS 17 - HE2 LYS 49 lone 1 89 - 1 - HB3 LYS 17 - HE3 LYS 49 lone 1 89 - 1 - HB3 LYS 17 - HE2 LYS 94 lone 1 75 - 1 - HB ILE 71 - HE2 LYS 94 lone 1 47 - 1 - HB ILE 15 - HE2 LYS 94 lone 1 83 - 1 - HB2 LYS 49 - HE2 LYS 94 lone 1 57 - 1 - HB2 ARG 95 - HE2 LYS 94 lone 1 51 - 1 - HB2 LEU 45 - HE2 LYS 94 lone 1 71 - 1 - HB2 GLU 128 - HE3 LYS 49 lone 1 76 - 1 - HB2 GLU 128 - HE2 LYS 49 lone 1 76 - 1 - HG2 MET 121 - HE2 LYS 94 lone 1 82 - 1 - HB2 LYS 73 - HE3 LYS 49 lone 1 55 - 1 - HB2 LYS 73 - HE2 LYS 49 lone 1 55 - 1 - HB2 ARG 95 - HE2 LYS 49 lone 0 62 - 1 - HB2 ARG 95 - HE3 LYS 49 lone 0 62 - 1 - HB2 LYS 73 - HE2 LYS 94 lone 0 44 - 1 - HB2 GLU 128 - HE2 LYS 94 lone 0 63 - 1 - HB2 LEU 127 - HE2 LYS 49 lone 0 55 - 1 - HB2 LEU 127 - HE3 LYS 49 lone 0 55 - 1 - HB2 LEU 127 - HE2 LYS 94 lone 0 44 - 1 - Peak 7151 from cnoeabs.peaks (1.57, 3.01, 41.78 ppm; 3.69 A): 2 out of 70 assignments used, quality = 1.00: * HG2 LYS 123 + HE3 LYS 123 OK 98 100 - 98 - 3.9=86, 7104/3.0=29...(30) HG2 LYS 123 + HE2 LYS 123 OK 97 99 - 98 - 3.9=86, 7104/3.0=29...(30) HG2 LYS 44 - HE3 LYS 123 OK 15 97 - 16 - ~7120=2, ~7130=1...(5) HG2 LYS 44 - HE2 LYS 123 OK 14 94 - 15 - ~7120=2, ~7130=1...(4) HG2 LYS 123 - HE3 LYS 49 OK 11 96 - 12 - 1.8/7115=2, ~7115=1, ~7116=1 HG2 LYS 123 - HE2 LYS 49 OK 11 96 - 12 - 1.8/7115=2, ~7115=1, ~7116=1 HG2 LYS 115 - HE3 LYS 123 poor 9 81 - 11 - 3.0/7086=1 HG2 LYS 115 - HE2 LYS 123 poor 9 77 - 11 - 3.0/7086=1 HG3 LYS 96 - HE3 LYS 123 lone 5 99 - 5 - HG3 LYS 96 - HE2 LYS 123 lone 5 97 - 5 - HB3 LEU 70 - HE2 LYS 94 lone 5 80 - 6 - ~11307=1, ~10982=1 HB3 LEU 70 - HE3 LYS 123 lone 4 99 - 4 - HB3 LEU 70 - HE2 LYS 123 lone 4 97 - 4 - HG3 LYS 96 - HE2 LYS 94 lone 3 80 - 3 - HG2 LYS 123 - HE2 LYS 94 lone 3 83 - 3 - HG2 LYS 44 - HE2 LYS 94 lone 2 77 - 2 - HG12 ILE 3 - HE3 LYS 123 lone 2 81 - 2 - ~11523=2 HG12 ILE 3 - HE2 LYS 123 lone 2 77 - 2 - ~11523=2 HG2 LYS 115 - HE2 LYS 94 lone 2 60 - 3 - HG3 LYS 96 - HE2 LYS 49 lone 1 93 - 2 - HG3 LYS 96 - HE3 LYS 49 lone 1 93 - 2 - HG2 LYS 115 - HE2 LYS 49 lone 1 73 - 2 - HG2 LYS 115 - HE3 LYS 49 lone 1 73 - 2 - HG2 LYS 44 - HE2 LYS 49 lone 1 90 - 1 - HG2 LYS 44 - HE3 LYS 49 lone 1 90 - 1 - HG LEU 68 - HE3 LYS 123 lone 1 84 - 1 - HG LEU 68 - HE2 LYS 123 lone 1 80 - 1 - HG12 ILE 116 - HE3 LYS 123 lone 1 94 - 1 - HB3 LEU 70 - HE3 LYS 49 lone 1 93 - 1 - HB3 LEU 70 - HE2 LYS 49 lone 1 93 - 1 - HG LEU 55 - HE2 LYS 94 lone 1 73 - 1 - HG12 ILE 116 - HE2 LYS 123 lone 1 91 - 1 - HD3 LYS 106 - HE3 LYS 123 lone 1 84 - 1 - HD2 LYS 106 - HE3 LYS 123 lone 1 81 - 1 - HD3 LYS 106 - HE2 LYS 123 lone 1 80 - 1 - HD2 LYS 106 - HE2 LYS 123 lone 1 77 - 1 - HG LEU 55 - HE3 LYS 123 lone 0 94 - 0 - HG LEU 55 - HE2 LYS 123 lone 0 91 - 0 - HD3 LYS 106 - HE3 LYS 49 lone 0 76 - 1 - HD3 LYS 106 - HE2 LYS 49 lone 0 76 - 1 - HD2 LYS 106 - HE2 LYS 49 lone 0 73 - 1 - HD2 LYS 106 - HE3 LYS 49 lone 0 73 - 1 - HG LEU 55 - HE2 LYS 49 lone 0 87 - 0 - HG LEU 55 - HE3 LYS 49 lone 0 87 - 0 - HG12 ILE 116 - HE2 LYS 49 lone 0 87 - 0 - HG12 ILE 116 - HE3 LYS 49 lone 0 87 - 0 - HD3 LYS 106 - HE2 LYS 94 lone 0 63 - 1 - HG LEU 68 - HE2 LYS 94 lone 0 63 - 1 - HD2 LYS 106 - HE2 LYS 94 lone 0 60 - 1 - HD3 LYS 19 - HE3 LYS 123 lone 0 61 - 1 - HD2 LYS 19 - HE3 LYS 123 lone 0 61 - 1 - HG12 ILE 116 - HE2 LYS 94 lone 0 73 - 1 - HD3 LYS 19 - HE2 LYS 123 lone 0 58 - 1 - HD2 LYS 19 - HE2 LYS 123 lone 0 58 - 1 - HG LEU 68 - HE3 LYS 49 lone 0 76 - 0 - HG LEU 68 - HE2 LYS 49 lone 0 76 - 0 - HG12 ILE 3 - HE3 LYS 49 lone 0 73 - 0 - HG12 ILE 3 - HE2 LYS 49 lone 0 73 - 0 - HB VAL 78 - HE3 LYS 123 lone 0 65 - 0 - HB VAL 78 - HE2 LYS 123 lone 0 62 - 0 - HG12 ILE 3 - HE2 LYS 94 lone 0 60 - 0 - HB VAL 78 - HE3 LYS 49 lone 0 58 - 0 - HB VAL 78 - HE2 LYS 49 lone 0 58 - 0 - HD3 LYS 19 - HE3 LYS 49 lone 0 55 - 0 - HD3 LYS 19 - HE2 LYS 49 lone 0 55 - 0 - HD2 LYS 19 - HE2 LYS 49 lone 0 55 - 0 - HD2 LYS 19 - HE3 LYS 49 lone 0 55 - 0 - HD2 LYS 19 - HE2 LYS 94 lone 0 44 - 0 - HD3 LYS 19 - HE2 LYS 94 lone 0 44 - 0 - HB VAL 78 - HE2 LYS 94 lone 0 47 - 0 - Peak 7152 from cnoeabs.peaks (1.70, 3.01, 41.78 ppm; 2.69 A): 4 out of 120 assignments used, quality = 0.94: * HG3 LYS 123 + HE3 LYS 123 OK 74 100 - 74 - 3.9=34, 7114/3.0=17...(23) HG3 LYS 123 + HE2 LYS 123 OK 72 99 - 73 - 3.9=34, 7114/3.0=17...(23) HG3 LYS 39 + HE3 LYS 123 OK 13 100 - 13 - 7114/3.0=2, 7122/3.0=2...(4) HG3 LYS 39 + HE2 LYS 123 OK 12 99 - 13 - 7114/3.0=2, 7122/3.0=2...(4) HD3 LYS 39 - HE3 LYS 123 lone 9 98 - 9 - 7132/3.0=1, 7122/3.0=1 HD2 LYS 39 - HE3 LYS 123 lone 9 97 - 9 - 7132/3.0=1, 7122/3.0=1 HD3 LYS 39 - HE2 LYS 123 lone 9 96 - 9 - 7132/3.0=1, 7122/3.0=1 HD2 LYS 39 - HE2 LYS 123 lone 8 94 - 9 - 7132/3.0=1, 7122/3.0=1 HD2 LYS 44 - HE3 LYS 123 lone 7 100 - 7 - 7122/3.0=1, 7132/3.0=1 HD3 LYS 44 - HE3 LYS 123 lone 7 99 - 7 - 7122/3.0=1, 7132/3.0=1 HD2 LYS 44 - HE2 LYS 123 lone 7 98 - 7 - 7122/3.0=1, 7132/3.0=1 HD3 LYS 44 - HE2 LYS 123 lone 7 97 - 7 - 7122/3.0=1, 7132/3.0=1 HB ILE 56 - HE2 LYS 94 lone 6 71 - 9 - ~9551=2, 10948/3.0=2 HG3 LYS 123 - HE3 LYS 49 lone 6 96 - 6 - HG3 LYS 123 - HE2 LYS 49 lone 6 96 - 6 - HG12 ILE 71 - HE3 LYS 123 lone 3 99 - 3 - HG12 ILE 71 - HE2 LYS 123 lone 3 97 - 3 - HD3 LYS 96 - HE3 LYS 123 lone 2 73 - 2 - HD3 LYS 96 - HE2 LYS 123 lone 2 70 - 2 - HD2 LYS 96 - HE3 LYS 123 lone 2 65 - 2 - HD2 LYS 96 - HE2 LYS 123 lone 1 62 - 2 - HG3 LYS 123 - HE2 LYS 94 lone 1 83 - 2 - HD3 LYS 16 - HE3 LYS 123 lone 1 92 - 1 - HD3 LYS 16 - HE2 LYS 123 lone 1 89 - 1 - HD3 LYS 96 - HE2 LYS 94 lone 1 54 - 2 - HG3 LYS 39 - HE3 LYS 49 lone 1 96 - 1 - HG3 LYS 39 - HE2 LYS 49 lone 1 96 - 1 - HD3 LYS 44 - HE2 LYS 94 lone 1 81 - 1 - HD2 LYS 16 - HE3 LYS 123 lone 1 84 - 1 - HD2 LYS 44 - HE2 LYS 94 lone 1 82 - 1 - HD2 LYS 16 - HE2 LYS 123 lone 1 80 - 1 - HD2 LYS 96 - HE2 LYS 94 lone 1 47 - 2 - HD3 LYS 39 - HE3 LYS 49 lone 1 92 - 1 - HD3 LYS 39 - HE2 LYS 49 lone 1 92 - 1 - HD2 LYS 39 - HE2 LYS 49 lone 1 90 - 1 - HD2 LYS 39 - HE3 LYS 49 lone 1 90 - 1 - HG LEU 74 - HE3 LYS 123 lone 1 99 - 1 - HG LEU 74 - HE2 LYS 123 lone 1 97 - 1 - HD2 LYS 20 - HE3 LYS 123 lone 1 90 - 1 - HD2 LYS 17 - HE3 LYS 123 lone 1 65 - 1 - HD2 LYS 20 - HE2 LYS 123 lone 1 86 - 1 - HG3 LYS 39 - HE2 LYS 94 lone 1 83 - 1 - HD2 LYS 17 - HE2 LYS 123 lone 1 62 - 1 - HD3 LYS 20 - HE3 LYS 123 lone 1 87 - 1 - HD3 LYS 20 - HE2 LYS 123 lone 0 83 - 1 - HD3 LYS 43 - HE2 LYS 94 lone 0 57 - 1 - HD3 LYS 43 - HE3 LYS 123 lone 0 77 - 1 - HD3 LYS 43 - HE2 LYS 123 lone 0 74 - 1 - HD3 LYS 96 - HE3 LYS 49 lone 0 66 - 1 - HD3 LYS 96 - HE2 LYS 49 lone 0 66 - 1 - HG12 ILE 71 - HE2 LYS 49 lone 0 93 - 0 - HG12 ILE 71 - HE3 LYS 49 lone 0 93 - 0 - HD3 LYS 39 - HE2 LYS 94 lone 0 78 - 0 - HD2 LYS 73 - HE3 LYS 123 lone 0 81 - 0 - HD2 LYS 39 - HE2 LYS 94 lone 0 77 - 0 - HD2 LYS 44 - HE3 LYS 49 lone 0 95 - 0 - HD2 LYS 44 - HE2 LYS 49 lone 0 95 - 0 - HD3 LYS 44 - HE3 LYS 49 lone 0 94 - 0 - HD3 LYS 44 - HE2 LYS 49 lone 0 94 - 0 - HD2 LYS 73 - HE2 LYS 123 lone 0 77 - 0 - HD3 LYS 73 - HE3 LYS 123 lone 0 77 - 0 - HD2 LYS 40 - HE3 LYS 123 lone 0 70 - 0 - HD2 LYS 96 - HE3 LYS 49 lone 0 58 - 1 - HD2 LYS 96 - HE2 LYS 49 lone 0 58 - 1 - HD3 LYS 73 - HE2 LYS 123 lone 0 74 - 0 - HB3 LYS 106 - HE3 LYS 123 lone 0 73 - 0 - HD2 LYS 40 - HE2 LYS 123 lone 0 66 - 0 - HB3 LYS 106 - HE2 LYS 123 lone 0 70 - 0 - HD2 LYS 20 - HE2 LYS 94 lone 0 68 - 0 - HD2 LYS 20 - HE3 LYS 49 lone 0 82 - 0 - HD2 LYS 20 - HE2 LYS 49 lone 0 82 - 0 - HD3 LYS 20 - HE3 LYS 49 lone 0 79 - 0 - HD3 LYS 20 - HE2 LYS 49 lone 0 79 - 0 - HD3 LYS 40 - HE3 LYS 123 lone 0 65 - 0 - HD3 LYS 20 - HE2 LYS 94 lone 0 66 - 0 - HD3 LYS 16 - HE2 LYS 94 lone 0 71 - 0 - HB2 LYS 106 - HE3 LYS 123 lone 0 65 - 0 - HB ILE 56 - HE3 LYS 123 lone 0 92 - 0 - HD3 LYS 40 - HE2 LYS 123 lone 0 62 - 0 - HB ILE 56 - HE2 LYS 123 lone 0 89 - 0 - HB2 LYS 106 - HE2 LYS 123 lone 0 62 - 0 - HB ILE 54 - HE2 LYS 94 lone 0 51 - 1 - HD2 LYS 16 - HE2 LYS 94 lone 0 63 - 0 - HG LEU 74 - HE2 LYS 49 lone 0 93 - 0 - HG LEU 74 - HE3 LYS 49 lone 0 93 - 0 - HG12 ILE 71 - HE2 LYS 94 lone 0 80 - 0 - HD2 LYS 40 - HE2 LYS 94 lone 0 51 - 0 - HD3 LYS 40 - HE2 LYS 94 lone 0 47 - 0 - HB3 LYS 106 - HE2 LYS 49 lone 0 66 - 0 - HB3 LYS 106 - HE3 LYS 49 lone 0 66 - 0 - HD3 LYS 16 - HE2 LYS 49 lone 0 84 - 0 - HD3 LYS 16 - HE3 LYS 49 lone 0 84 - 0 - HD2 LYS 73 - HE2 LYS 94 lone 0 60 - 0 - HB ILE 54 - HE3 LYS 123 lone 0 70 - 0 - HD2 LYS 73 - HE2 LYS 49 lone 0 73 - 0 - HD2 LYS 73 - HE3 LYS 49 lone 0 73 - 0 - HB ILE 56 - HE3 LYS 49 lone 0 84 - 0 - HB ILE 56 - HE2 LYS 49 lone 0 84 - 0 - HB3 LYS 106 - HE2 LYS 94 lone 0 54 - 0 - HG LEU 74 - HE2 LYS 94 lone 0 80 - 0 - HD2 LYS 16 - HE2 LYS 49 lone 0 76 - 0 - HD2 LYS 16 - HE3 LYS 49 lone 0 76 - 0 - HD3 LYS 73 - HE2 LYS 94 lone 0 57 - 0 - HB2 LYS 106 - HE3 LYS 49 lone 0 58 - 0 - HB2 LYS 106 - HE2 LYS 49 lone 0 58 - 0 - HB ILE 54 - HE2 LYS 123 lone 0 66 - 0 - HD2 LYS 17 - HE2 LYS 49 lone 0 58 - 0 - HD2 LYS 17 - HE3 LYS 49 lone 0 58 - 0 - HD3 LYS 73 - HE2 LYS 49 lone 0 70 - 0 - HD3 LYS 73 - HE3 LYS 49 lone 0 70 - 0 - HD3 LYS 43 - HE3 LYS 49 lone 0 70 - 0 - HD3 LYS 43 - HE2 LYS 49 lone 0 70 - 0 - HB ILE 54 - HE3 LYS 49 lone 0 62 - 0 - HB ILE 54 - HE2 LYS 49 lone 0 62 - 0 - HB2 LYS 106 - HE2 LYS 94 lone 0 47 - 0 - HD2 LYS 40 - HE3 LYS 49 lone 0 62 - 0 - HD2 LYS 40 - HE2 LYS 49 lone 0 62 - 0 - HD2 LYS 17 - HE2 LYS 94 lone 0 47 - 0 - HD3 LYS 40 - HE3 LYS 49 lone 0 58 - 0 - HD3 LYS 40 - HE2 LYS 49 lone 0 58 - 0 - Peak 7153 from cnoeabs.peaks (1.84, 3.01, 41.78 ppm; 4.79 A): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 123 + HE3 LYS 123 OK 100 100 - 100 - 3.0=100 HD2 LYS 123 + HE2 LYS 123 OK 99 99 - 100 - 3.0=100 Peak 7154 from cnoeabs.peaks (1.75, 3.01, 41.78 ppm; 3.16 A): 2 out of 2 assignments used, quality = 1.00: * HD3 LYS 123 + HE3 LYS 123 OK 100 100 - 100 - 3.0=100 HD3 LYS 123 + HE2 LYS 123 OK 99 99 - 100 - 3.0=100 Peak 7155 from cnoeabs.peaks (3.01, 3.01, 41.78 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HE3 LYS 123 + HE3 LYS 123 OK 99 99 - 100 HE2 LYS 123 + HE2 LYS 123 OK 99 99 - 100 HE2 LYS 49 + HE2 LYS 49 OK 95 95 - 100 HE3 LYS 49 + HE3 LYS 49 OK 95 95 - 100 HE2 LYS 94 + HE2 LYS 94 OK 78 78 - 100 Reference assignment not found: HE2 LYS 123 - HE3 LYS 123 Peak 7156 from cnoeabs.peaks (3.01, 3.01, 41.78 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: * HE3 LYS 123 + HE3 LYS 123 OK 100 100 - 100 HE2 LYS 123 + HE2 LYS 123 OK 97 97 - 100 HE2 LYS 49 + HE2 LYS 49 OK 92 92 - 100 HE3 LYS 49 + HE3 LYS 49 OK 92 92 - 100 HE2 LYS 94 + HE2 LYS 94 OK 71 71 - 100 Peak 7157 from cnoeabs.peaks (8.60, 4.14, 54.65 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 124 + HA ALA 124 OK 100 100 - 100 - 3.0=100 Peak 7158 from cnoeabs.peaks (4.14, 4.14, 54.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA ALA 124 + HA ALA 124 OK 100 100 - 100 Peak 7159 from cnoeabs.peaks (1.50, 4.14, 54.65 ppm; 3.11 A): 1 out of 1 assignment used, quality = 1.00: * QB ALA 124 + HA ALA 124 OK 100 100 - 100 - 2.1=100 Peak 7160 from cnoeabs.peaks (8.60, 1.50, 18.93 ppm; 3.26 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 124 + QB ALA 124 OK 100 100 - 100 - 2.9=100 Peak 7161 from cnoeabs.peaks (4.14, 1.50, 18.93 ppm; 3.03 A): 1 out of 1 assignment used, quality = 1.00: * HA ALA 124 + QB ALA 124 OK 100 100 - 100 - 2.1=100 Peak 7162 from cnoeabs.peaks (1.50, 1.50, 18.93 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QB ALA 124 + QB ALA 124 OK 100 100 - 100 Peak 7163 from cnoeabs.peaks (7.95, 4.05, 46.29 ppm; 3.42 A): 2 out of 2 assignments used, quality = 1.00: * H GLY 125 + HA2 GLY 125 OK 100 100 - 100 - 3.0=100 H GLY 125 + HA3 GLY 125 OK 78 78 - 100 - 3.0=100 Peak 7164 from cnoeabs.peaks (4.05, 4.05, 46.29 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA2 GLY 125 + HA2 GLY 125 OK 100 100 - 100 HA3 GLY 125 + HA3 GLY 125 OK 64 64 - 100 Peak 7165 from cnoeabs.peaks (4.06, 4.05, 46.29 ppm; diagonal): 2 out of 2 assignments used, quality = 0.98: HA2 GLY 125 + HA2 GLY 125 OK 90 90 - 100 HA3 GLY 125 + HA3 GLY 125 OK 78 78 - 100 Reference assignment not found: HA3 GLY 125 - HA2 GLY 125 Peak 7166 from cnoeabs.peaks (7.95, 4.06, 46.29 ppm; 3.57 A): 2 out of 2 assignments used, quality = 1.00: * H GLY 125 + HA3 GLY 125 OK 100 100 - 100 - 3.0=100 H GLY 125 + HA2 GLY 125 OK 78 78 - 100 - 3.0=100 Peak 7167 from cnoeabs.peaks (4.05, 4.06, 46.29 ppm; diagonal): 2 out of 2 assignments used, quality = 0.98: HA3 GLY 125 + HA3 GLY 125 OK 90 90 - 100 HA2 GLY 125 + HA2 GLY 125 OK 78 78 - 100 Reference assignment not found: HA2 GLY 125 - HA3 GLY 125 Peak 7168 from cnoeabs.peaks (4.06, 4.06, 46.29 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA3 GLY 125 + HA3 GLY 125 OK 100 100 - 100 HA2 GLY 125 + HA2 GLY 125 OK 64 64 - 100 Peak 7169 from cnoeabs.peaks (7.86, 4.45, 59.97 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * H SER 126 + HA SER 126 OK 100 100 - 100 - 3.0=100 Peak 7170 from cnoeabs.peaks (4.45, 4.45, 59.97 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA SER 126 + HA SER 126 OK 100 100 - 100 Peak 7171 from cnoeabs.peaks (4.02, 4.45, 59.97 ppm; 3.07 A): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 126 + HA SER 126 OK 100 100 - 100 - 3.0=100 HB3 SER 126 + HA SER 126 OK 97 97 - 100 - 3.0=100 Peak 7172 from cnoeabs.peaks (4.03, 4.45, 59.97 ppm; 3.07 A): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 126 + HA SER 126 OK 100 100 - 100 - 3.0=100 HB2 SER 126 + HA SER 126 OK 97 97 - 100 - 3.0=100 Peak 7173 from cnoeabs.peaks (7.86, 4.02, 63.46 ppm; 3.40 A): 2 out of 8 assignments used, quality = 0.95: * H SER 126 + HB2 SER 126 OK 80 100 - 80 - 4.0=61, 1969/4.5=19...(5) H SER 126 + HB3 SER 126 OK 74 93 - 80 - 4.0=61, 1969/4.5=19...(5) H ASP 60 - HB2 SER 126 lone 1 99 - 1 - H ASP 60 - HB3 SER 126 lone 1 92 - 1 - HE21 GLN 62 - HB2 SER 126 lone 0 81 - 0 - H TYR 27 - HB2 SER 126 lone 0 73 - 0 - HE21 GLN 62 - HB3 SER 126 lone 0 70 - 0 - H TYR 27 - HB3 SER 126 lone 0 63 - 0 - Peak 7174 from cnoeabs.peaks (4.45, 4.02, 63.46 ppm; 3.02 A): 2 out of 4 assignments used, quality = 1.00: * HA SER 126 + HB2 SER 126 OK 99 100 - 99 - 3.0=99, 3.0/7173=11...(8) HA SER 126 + HB3 SER 126 OK 92 93 - 99 - 3.0=99, 3.0/2251=10...(8) HA TYR 27 - HB2 SER 126 lone 0 81 - 0 - HA TYR 27 - HB3 SER 126 lone 0 70 - 0 - Peak 7175 from cnoeabs.peaks (4.02, 4.02, 63.46 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 SER 126 + HB2 SER 126 OK 100 100 - 100 HB3 SER 126 + HB3 SER 126 OK 88 88 - 100 Peak 7176 from cnoeabs.peaks (4.03, 4.02, 63.46 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 SER 126 + HB2 SER 126 OK 97 97 - 100 HB3 SER 126 + HB3 SER 126 OK 93 93 - 100 Reference assignment not found: HB3 SER 126 - HB2 SER 126 Peak 7177 from cnoeabs.peaks (7.86, 4.03, 63.46 ppm; 3.40 A): 2 out of 8 assignments used, quality = 0.95: * H SER 126 + HB3 SER 126 OK 80 100 - 80 - 4.0=61, 1969/4.5=19...(5) H SER 126 + HB2 SER 126 OK 74 93 - 80 - 4.0=61, 1969/4.5=19...(5) H ASP 60 - HB3 SER 126 lone 1 99 - 1 - H ASP 60 - HB2 SER 126 lone 1 92 - 1 - HE21 GLN 62 - HB3 SER 126 lone 0 81 - 0 - H TYR 27 - HB3 SER 126 lone 0 73 - 0 - HE21 GLN 62 - HB2 SER 126 lone 0 70 - 0 - H TYR 27 - HB2 SER 126 lone 0 63 - 0 - Peak 7178 from cnoeabs.peaks (4.45, 4.03, 63.46 ppm; 3.03 A): 2 out of 2 assignments used, quality = 1.00: * HA SER 126 + HB3 SER 126 OK 100 100 - 100 - 3.0=100 HA SER 126 + HB2 SER 126 OK 93 93 - 100 - 3.0=100 Peak 7179 from cnoeabs.peaks (4.02, 4.03, 63.46 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 126 + HB3 SER 126 OK 97 97 - 100 HB2 SER 126 + HB2 SER 126 OK 93 93 - 100 Reference assignment not found: HB2 SER 126 - HB3 SER 126 Peak 7180 from cnoeabs.peaks (4.03, 4.03, 63.46 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 SER 126 + HB3 SER 126 OK 100 100 - 100 HB2 SER 126 + HB2 SER 126 OK 88 88 - 100 Peak 7181 from cnoeabs.peaks (7.88, 4.28, 56.22 ppm; 3.90 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 127 + HA LEU 127 OK 100 100 - 100 - 2.9=100 Peak 7182 from cnoeabs.peaks (4.28, 4.28, 56.22 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA LEU 127 + HA LEU 127 OK 100 100 - 100 Peak 7183 from cnoeabs.peaks (1.93, 4.28, 56.22 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 127 + HA LEU 127 OK 100 100 - 100 - 3.0=100 Peak 7184 from cnoeabs.peaks (1.61, 4.28, 56.22 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 127 + HA LEU 127 OK 100 100 - 100 - 3.0=100 Peak 7185 from cnoeabs.peaks (1.86, 4.28, 56.22 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 127 + HA LEU 127 OK 100 100 - 100 - 3.6=100 Peak 7186 from cnoeabs.peaks (0.93, 4.28, 56.22 ppm; 3.14 A): 1 out of 4 assignments used, quality = 0.77: * QD2 LEU 127 + HA LEU 127 OK 77 100 - 77 - 3.8=54, 809/3.6=14...(9) HG13 ILE 97 - HA LEU 127 lone 1 98 - 1 - QG1 VAL 104 - HA LEU 127 lone 0 100 - 0 - HG3 LYS 53 - HA LEU 127 lone 0 99 - 0 - Peak 7187 from cnoeabs.peaks (1.01, 4.28, 56.22 ppm; 4.45 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 127 + HA LEU 127 OK 100 100 - 100 - 3.8=100 Peak 7188 from cnoeabs.peaks (7.88, 1.93, 42.07 ppm; 3.93 A): 1 out of 4 assignments used, quality = 0.99: * H LEU 127 + HB2 LEU 127 OK 99 100 - 99 - 4.0=93, 7195/1.8=35...(8) H LEU 127 - HB2 LEU 70 lone 5 78 - 7 - 1830=2, 2257/3.0=2, 7202/3.0=2 HD21 ASN 88 - HB2 LEU 127 lone 3 96 - 3 - 7195/1.8=1 HD21 ASN 88 - HB2 LEU 70 lone 0 70 - 1 - Peak 7189 from cnoeabs.peaks (4.28, 1.93, 42.07 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 127 + HB2 LEU 127 OK 100 100 - 100 - 3.0=100 Peak 7190 from cnoeabs.peaks (1.93, 1.93, 42.07 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 127 + HB2 LEU 127 OK 100 100 - 100 HB2 LEU 70 + HB2 LEU 70 OK 68 68 - 100 Peak 7191 from cnoeabs.peaks (1.61, 1.93, 42.07 ppm; 2.75 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 127 + HB2 LEU 127 OK 100 100 - 100 - 1.8=100 Peak 7192 from cnoeabs.peaks (1.86, 1.93, 42.07 ppm; 3.20 A): 2 out of 2 assignments used, quality = 1.00: * HG LEU 127 + HB2 LEU 127 OK 100 100 - 100 - 3.0=100 HG LEU 70 + HB2 LEU 70 OK 66 66 - 100 - 3.0=100 Peak 7193 from cnoeabs.peaks (0.93, 1.93, 42.07 ppm; 3.15 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 127 + HB2 LEU 127 OK 100 100 - 100 - 3.1=100 Peak 7194 from cnoeabs.peaks (1.01, 1.93, 42.07 ppm; 3.67 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 127 + HB2 LEU 127 OK 100 100 - 100 - 3.1=100 Peak 7195 from cnoeabs.peaks (7.88, 1.61, 42.07 ppm; 4.01 A): 1 out of 2 assignments used, quality = 1.00: * H LEU 127 + HB3 LEU 127 OK 100 100 - 100 - 4.0=98, 1830/1.8=37...(8) HD21 ASN 88 - HB3 LEU 127 lone 3 96 - 3 - 7188/1.8=1 Peak 7196 from cnoeabs.peaks (4.28, 1.61, 42.07 ppm; 3.55 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 127 + HB3 LEU 127 OK 100 100 - 100 - 3.0=100 Peak 7197 from cnoeabs.peaks (1.93, 1.61, 42.07 ppm; 2.79 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 127 + HB3 LEU 127 OK 100 100 - 100 - 1.8=100 Peak 7198 from cnoeabs.peaks (1.61, 1.61, 42.07 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 127 + HB3 LEU 127 OK 100 100 - 100 Peak 7199 from cnoeabs.peaks (1.86, 1.61, 42.07 ppm; 3.47 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 127 + HB3 LEU 127 OK 100 100 - 100 - 3.0=100 Peak 7200 from cnoeabs.peaks (0.93, 1.61, 42.07 ppm; 3.35 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 127 + HB3 LEU 127 OK 100 100 - 100 - 3.1=100 Peak 7201 from cnoeabs.peaks (1.01, 1.61, 42.07 ppm; 3.51 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 127 + HB3 LEU 127 OK 100 100 - 100 - 3.1=100 Peak 7202 from cnoeabs.peaks (7.88, 1.86, 26.77 ppm; 3.91 A): 1 out of 4 assignments used, quality = 0.90: * H LEU 127 + HG LEU 127 OK 90 100 - 90 - 5.0=48, 1834/2.1=32...(7) H LEU 127 - HG LEU 70 lone 5 83 - 6 - 1832=2, 1830/3.0=2, 2257/3.6=1 HD21 ASN 88 - HG LEU 127 lone 2 96 - 2 - HD21 ASN 88 - HG LEU 70 lone 0 75 - 1 - Peak 7203 from cnoeabs.peaks (4.28, 1.86, 26.77 ppm; 4.23 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 127 + HG LEU 127 OK 100 100 - 100 - 3.6=100 Peak 7204 from cnoeabs.peaks (1.93, 1.86, 26.77 ppm; 3.02 A): 2 out of 2 assignments used, quality = 1.00: * HB2 LEU 127 + HG LEU 127 OK 100 100 - 100 - 3.0=100 HB2 LEU 70 + HG LEU 70 OK 73 73 - 100 - 3.0=100 Peak 7205 from cnoeabs.peaks (1.61, 1.86, 26.77 ppm; 3.53 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 127 + HG LEU 127 OK 100 100 - 100 - 3.0=100 Peak 7206 from cnoeabs.peaks (1.86, 1.86, 26.77 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG LEU 127 + HG LEU 127 OK 100 100 - 100 HG LEU 70 + HG LEU 70 OK 71 71 - 100 Peak 7207 from cnoeabs.peaks (0.93, 1.86, 26.77 ppm; 2.88 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 127 + HG LEU 127 OK 100 100 - 100 - 2.1=100 Peak 7208 from cnoeabs.peaks (1.01, 1.86, 26.77 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 127 + HG LEU 127 OK 100 100 - 100 - 2.1=100 Peak 7209 from cnoeabs.peaks (7.88, 0.93, 22.96 ppm; 4.84 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 127 + QD2 LEU 127 OK 100 100 - 100 - 4.2=100 Peak 7210 from cnoeabs.peaks (4.28, 0.93, 22.96 ppm; 3.14 A): 1 out of 4 assignments used, quality = 0.77: * HA LEU 127 + QD2 LEU 127 OK 77 100 - 77 - 3.8=54, 3.6/809=14...(9) HA LYS 73 - QD2 LEU 127 lone 0 94 - 1 - HA ASP 12 - QD2 LEU 127 lone 0 94 - 0 - HA GLU 41 - QD2 LEU 127 lone 0 61 - 0 - Peak 7211 from cnoeabs.peaks (1.93, 0.93, 22.96 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 127 + QD2 LEU 127 OK 100 100 - 100 - 3.1=100 Peak 7212 from cnoeabs.peaks (1.61, 0.93, 22.96 ppm; 3.43 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 127 + QD2 LEU 127 OK 100 100 - 100 - 3.1=100 Peak 7213 from cnoeabs.peaks (1.86, 0.93, 22.96 ppm; 3.14 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 127 + QD2 LEU 127 OK 100 100 - 100 - 2.1=100 Peak 7214 from cnoeabs.peaks (0.93, 0.93, 22.96 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 127 + QD2 LEU 127 OK 100 100 - 100 Peak 7215 from cnoeabs.peaks (1.01, 0.93, 22.96 ppm; 5.36 A): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 127 + QD2 LEU 127 OK 100 100 - 100 - 2.1=100 Peak 7216 from cnoeabs.peaks (7.88, 1.01, 25.52 ppm; 5.55 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 127 + QD1 LEU 127 OK 100 100 - 100 - 4.2=100 Peak 7217 from cnoeabs.peaks (4.28, 1.01, 25.52 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * HA LEU 127 + QD1 LEU 127 OK 100 100 - 100 - 3.8=100 Peak 7218 from cnoeabs.peaks (1.93, 1.01, 25.52 ppm; 3.42 A): 1 out of 1 assignment used, quality = 1.00: * HB2 LEU 127 + QD1 LEU 127 OK 100 100 - 100 - 3.1=100 Peak 7219 from cnoeabs.peaks (1.61, 1.01, 25.52 ppm; 3.38 A): 1 out of 1 assignment used, quality = 1.00: * HB3 LEU 127 + QD1 LEU 127 OK 100 100 - 100 - 3.1=100 Peak 7220 from cnoeabs.peaks (1.86, 1.01, 25.52 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: * HG LEU 127 + QD1 LEU 127 OK 100 100 - 100 - 2.1=100 Peak 7221 from cnoeabs.peaks (0.93, 1.01, 25.52 ppm; 2.90 A): 1 out of 1 assignment used, quality = 1.00: * QD2 LEU 127 + QD1 LEU 127 OK 100 100 - 100 - 2.1=100 Peak 7222 from cnoeabs.peaks (1.01, 1.01, 25.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD1 LEU 127 + QD1 LEU 127 OK 100 100 - 100 Peak 7223 from cnoeabs.peaks (8.08, 3.91, 57.61 ppm; 4.54 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 128 + HA GLU 128 OK 100 100 - 100 - 2.9=100 Peak 7224 from cnoeabs.peaks (3.91, 3.91, 57.61 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HA GLU 128 + HA GLU 128 OK 100 100 - 100 HA LEU 64 + HA LEU 64 OK 89 89 - 100 Peak 7225 from cnoeabs.peaks (1.90, 3.91, 57.61 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 128 + HA GLU 128 OK 100 100 - 100 - 3.0=100 Peak 7226 from cnoeabs.peaks (1.95, 3.91, 57.61 ppm; 4.54 A): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 128 + HA GLU 128 OK 100 100 - 100 - 3.0=100 Peak 7227 from cnoeabs.peaks (2.01, 3.91, 57.61 ppm; 3.78 A): 2 out of 10 assignments used, quality = 1.00: * HG2 GLU 128 + HA GLU 128 OK 99 100 - 99 - 4.0=85, 7240/3.0=20...(21) HG3 GLU 128 + HA GLU 128 OK 99 100 - 99 - 4.0=85, 7240/3.0=20...(21) HB3 GLU 111 - HA LEU 64 lone 2 79 - 3 - 11124/3.8=1 HG2 GLU 128 - HA LEU 64 lone 2 89 - 2 - HG3 GLU 128 - HA LEU 64 lone 2 89 - 2 - HB2 MET 1 - HA GLU 128 lone 1 73 - 2 - HB2 GLN 25 - HA GLU 128 lone 1 97 - 1 - HB3 GLU 111 - HA GLU 128 lone 1 94 - 1 - HB2 MET 1 - HA LEU 64 lone 1 59 - 1 - HB2 GLN 25 - HA LEU 64 lone 0 83 - 1 - Peak 7228 from cnoeabs.peaks (2.01, 3.91, 57.61 ppm; 3.78 A): 2 out of 10 assignments used, quality = 1.00: HG2 GLU 128 + HA GLU 128 OK 99 100 - 99 - 4.0=85, 7240/3.0=20...(21) * HG3 GLU 128 + HA GLU 128 OK 99 100 - 99 - 4.0=85, 7240/3.0=20...(21) HB3 GLU 111 - HA LEU 64 lone 2 79 - 3 - 11124/3.8=1 HG2 GLU 128 - HA LEU 64 lone 2 89 - 2 - HG3 GLU 128 - HA LEU 64 lone 2 89 - 2 - HB2 MET 1 - HA GLU 128 lone 1 73 - 2 - HB2 GLN 25 - HA GLU 128 lone 1 97 - 1 - HB3 GLU 111 - HA GLU 128 lone 1 94 - 1 - HB2 MET 1 - HA LEU 64 lone 1 59 - 1 - HB2 GLN 25 - HA LEU 64 lone 0 83 - 1 - Peak 7229 from cnoeabs.peaks (8.08, 1.90, 29.83 ppm; 3.78 A): 1 out of 8 assignments used, quality = 0.93: * H GLU 128 + HB2 GLU 128 OK 93 100 - 93 - 4.0=81, 1838/1.8=34...(9) H GLU 92 - HB2 ARG 95 OK 23 97 - 24 - 2144/3.0=7, ~8202=6...(5) H GLU 92 - HB2 GLU 128 OK 17 99 - 17 - 7235/1.8=5, 3.0/8201=2...(7) H GLU 128 - HB2 ARG 95 OK 15 99 - 15 - 1837=5, 2264/3.0=4...(4) H SER 99 - HB2 ARG 95 OK 11 74 - 15 - 2179/3.0=8, 2.9/8207=3, ~8209=2 H PHE 93 - HB2 ARG 95 poor 7 58 - 11 - 3.6/8201=4, 8223/3.0=3...(4) H PHE 93 - HB2 GLU 128 lone 3 61 - 4 - 3.6/8201=2 H SER 99 - HB2 GLU 128 lone 1 77 - 2 - Peak 7230 from cnoeabs.peaks (3.91, 1.90, 29.83 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 128 + HB2 GLU 128 OK 100 100 - 100 - 3.0=100 Peak 7231 from cnoeabs.peaks (1.90, 1.90, 29.83 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB2 GLU 128 + HB2 GLU 128 OK 100 100 - 100 HB2 ARG 95 + HB2 ARG 95 OK 97 97 - 100 Peak 7232 from cnoeabs.peaks (1.95, 1.90, 29.83 ppm; 2.40 A): 2 out of 2 assignments used, quality = 1.00: * HB3 GLU 128 + HB2 GLU 128 OK 100 100 - 100 - 1.8=100 HB3 ARG 95 + HB2 ARG 95 OK 70 70 - 100 - 1.8=100 Peak 7233 from cnoeabs.peaks (2.01, 1.90, 29.83 ppm; 2.71 A): 2 out of 10 assignments used, quality = 0.99: HG3 GLU 128 + HB2 GLU 128 OK 90 100 - 90 - 3.0=74, 7240/1.8=17...(15) * HG2 GLU 128 + HB2 GLU 128 OK 90 100 - 90 - 3.0=74, 7240/1.8=17...(15) HG2 GLU 128 - HB2 ARG 95 lone 3 99 - 3 - HG3 GLU 128 - HB2 ARG 95 lone 3 99 - 3 - HB2 MET 1 - HB2 ARG 95 lone 1 70 - 2 - 10723/4.6=1 HB2 MET 1 - HB2 GLU 128 lone 1 73 - 1 - HB3 GLU 111 - HB2 ARG 95 lone 0 91 - 1 - HB2 GLN 25 - HB2 GLU 128 lone 0 97 - 0 - HB3 GLU 111 - HB2 GLU 128 lone 0 94 - 0 - HB2 GLN 25 - HB2 ARG 95 lone 0 94 - 0 - Peak 7234 from cnoeabs.peaks (2.01, 1.90, 29.83 ppm; 2.71 A): 2 out of 10 assignments used, quality = 0.99: * HG3 GLU 128 + HB2 GLU 128 OK 90 100 - 90 - 3.0=74, 7240/1.8=17...(15) HG2 GLU 128 + HB2 GLU 128 OK 90 100 - 90 - 3.0=74, 7240/1.8=17...(15) HG2 GLU 128 - HB2 ARG 95 lone 3 99 - 3 - HG3 GLU 128 - HB2 ARG 95 lone 3 99 - 3 - HB2 MET 1 - HB2 ARG 95 lone 1 70 - 2 - 10723/4.6=1 HB2 MET 1 - HB2 GLU 128 lone 1 73 - 1 - HB3 GLU 111 - HB2 ARG 95 lone 0 91 - 1 - HB2 GLN 25 - HB2 GLU 128 lone 0 97 - 0 - HB3 GLU 111 - HB2 GLU 128 lone 0 94 - 0 - HB2 GLN 25 - HB2 ARG 95 lone 0 94 - 0 - Peak 7235 from cnoeabs.peaks (8.08, 1.95, 29.83 ppm; 3.74 A): 2 out of 4 assignments used, quality = 0.93: * H GLU 128 + HB3 GLU 128 OK 92 100 - 92 - 4.0=79, 1837/1.8=33...(10) H GLU 92 + HB3 GLU 128 OK 15 99 - 15 - 7229/1.8=4, 3.0/8329=2...(6) H PHE 93 - HB3 GLU 128 lone 3 61 - 4 - 3.6/8329=2 H SER 99 - HB3 GLU 128 lone 1 77 - 2 - Peak 7236 from cnoeabs.peaks (3.91, 1.95, 29.83 ppm; 4.07 A): 1 out of 1 assignment used, quality = 1.00: * HA GLU 128 + HB3 GLU 128 OK 100 100 - 100 - 3.0=100 Peak 7237 from cnoeabs.peaks (1.90, 1.95, 29.83 ppm; 2.40 A): 1 out of 1 assignment used, quality = 1.00: * HB2 GLU 128 + HB3 GLU 128 OK 100 100 - 100 - 1.8=100 Peak 7238 from cnoeabs.peaks (1.95, 1.95, 29.83 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLU 128 + HB3 GLU 128 OK 100 100 - 100 Peak 7239 from cnoeabs.peaks (2.01, 1.95, 29.83 ppm; 2.57 A): 2 out of 5 assignments used, quality = 0.97: * HG2 GLU 128 + HB3 GLU 128 OK 84 100 - 84 - 3.0=63, 7233/1.8=14...(15) HG3 GLU 128 + HB3 GLU 128 OK 84 100 - 84 - 3.0=63, 7233/1.8=14...(15) HB2 MET 1 - HB3 GLU 128 lone 0 73 - 1 - HB3 GLU 111 - HB3 GLU 128 lone 0 94 - 0 - HB2 GLN 25 - HB3 GLU 128 lone 0 97 - 0 - Peak 7240 from cnoeabs.peaks (2.01, 1.95, 29.83 ppm; 2.57 A): 2 out of 5 assignments used, quality = 0.97: HG2 GLU 128 + HB3 GLU 128 OK 84 100 - 84 - 3.0=63, 7233/1.8=14...(15) * HG3 GLU 128 + HB3 GLU 128 OK 84 100 - 84 - 3.0=63, 7233/1.8=14...(15) HB2 MET 1 - HB3 GLU 128 lone 0 73 - 1 - HB3 GLU 111 - HB3 GLU 128 lone 0 94 - 0 - HB2 GLN 25 - HB3 GLU 128 lone 0 97 - 0 - Peak 7241 from cnoeabs.peaks (8.08, 2.01, 36.01 ppm; 4.24 A): 2 out of 8 assignments used, quality = 0.99: H GLU 128 + HG3 GLU 128 OK 93 100 - 93 - 5.0=62, 1838/3.0=31...(10) * H GLU 128 + HG2 GLU 128 OK 93 100 - 93 - 5.0=62, 1838/3.0=31...(10) H GLU 92 - HG2 GLU 128 OK 20 99 - 20 - 7235/3.0=5, 3.0/10881=4...(7) H GLU 92 - HG3 GLU 128 OK 20 99 - 20 - 7235/3.0=5, 3.0/10881=4...(7) H PHE 93 - HG3 GLU 128 lone 3 61 - 6 - 3.6/10881=3 H PHE 93 - HG2 GLU 128 lone 3 61 - 6 - 3.6/10881=3 H SER 99 - HG2 GLU 128 lone 1 77 - 1 - H SER 99 - HG3 GLU 128 lone 1 77 - 1 - Peak 7242 from cnoeabs.peaks (3.91, 2.01, 36.01 ppm; 3.81 A): 2 out of 10 assignments used, quality = 1.00: * HA GLU 128 + HG2 GLU 128 OK 99 100 - 99 - 4.0=87, 3.0/7240=20...(21) HA GLU 128 + HG3 GLU 128 OK 99 100 - 99 - 4.0=87, 3.0/7240=20...(21) HA LEU 64 - HG2 GLU 128 lone 3 100 - 3 - 9688/10879=1 HA LEU 64 - HG3 GLU 128 lone 3 100 - 3 - 9688/10879=1 HA LEU 38 - HG2 GLU 128 lone 1 100 - 1 - HA LEU 38 - HG3 GLU 128 lone 1 100 - 1 - HB2 SER 35 - HG3 GLU 128 lone 1 90 - 1 - HB2 SER 35 - HG2 GLU 128 lone 1 90 - 1 - HA ARG 118 - HG2 GLU 128 lone 0 77 - 0 - HA ARG 118 - HG3 GLU 128 lone 0 77 - 0 - Peak 7243 from cnoeabs.peaks (1.90, 2.01, 36.01 ppm; 2.96 A): 2 out of 40 assignments used, quality = 1.00: * HB2 GLU 128 + HG2 GLU 128 OK 99 100 - 99 - 3.0=96, 1.8/7239=19...(15) HB2 GLU 128 + HG3 GLU 128 OK 99 100 - 99 - 3.0=96, 1.8/7239=19...(15) HB2 ARG 95 - HG2 GLU 128 lone 4 99 - 4 - HB2 ARG 95 - HG3 GLU 128 lone 4 99 - 4 - HB2 LYS 96 - HG3 GLU 128 lone 2 100 - 2 - HB2 LYS 96 - HG2 GLU 128 lone 2 100 - 2 - HB3 LYS 123 - HG3 GLU 128 lone 1 84 - 1 - HB3 LYS 123 - HG2 GLU 128 lone 1 84 - 1 - HB3 LYS 44 - HG3 GLU 128 lone 1 99 - 1 - HB3 LYS 44 - HG2 GLU 128 lone 1 99 - 1 - HB2 LYS 73 - HG3 GLU 128 lone 1 98 - 1 - HB2 LYS 73 - HG2 GLU 128 lone 1 98 - 1 - HB3 LYS 73 - HG2 GLU 128 lone 1 97 - 1 - HB3 LYS 73 - HG3 GLU 128 lone 1 97 - 1 - HB2 LYS 44 - HG2 GLU 128 lone 1 92 - 1 - HB2 LYS 44 - HG3 GLU 128 lone 1 92 - 1 - HB2 LEU 45 - HG3 GLU 128 lone 1 100 - 1 - HB2 LEU 45 - HG2 GLU 128 lone 1 100 - 1 - HB ILE 15 - HG3 GLU 128 lone 1 81 - 1 - HB ILE 15 - HG2 GLU 128 lone 1 81 - 1 - HB ILE 71 - HG2 GLU 128 lone 0 99 - 0 - HB ILE 71 - HG3 GLU 128 lone 0 99 - 0 - HB3 LYS 43 - HG2 GLU 128 lone 0 100 - 0 - HB3 LYS 43 - HG3 GLU 128 lone 0 100 - 0 - HB2 LYS 43 - HG2 GLU 128 lone 0 98 - 0 - HB2 LYS 43 - HG3 GLU 128 lone 0 98 - 0 - HG LEU 45 - HG3 GLU 128 lone 0 61 - 1 - HG LEU 45 - HG2 GLU 128 lone 0 61 - 1 - HB2 LYS 49 - HG3 GLU 128 lone 0 100 - 0 - HB2 LYS 49 - HG2 GLU 128 lone 0 100 - 0 - HB3 LYS 20 - HG2 GLU 128 lone 0 90 - 0 - HB2 LYS 20 - HG2 GLU 128 lone 0 90 - 0 - HB2 LYS 20 - HG3 GLU 128 lone 0 90 - 0 - HB3 LYS 20 - HG3 GLU 128 lone 0 90 - 0 - HB ILE 7 - HG2 GLU 128 lone 0 94 - 0 - HB ILE 7 - HG3 GLU 128 lone 0 94 - 0 - HG2 MET 121 - HG2 GLU 128 lone 0 73 - 0 - HG2 MET 121 - HG3 GLU 128 lone 0 73 - 0 - HB2 LEU 81 - HG3 GLU 128 lone 0 65 - 0 - HB2 LEU 81 - HG2 GLU 128 lone 0 65 - 0 - Peak 7244 from cnoeabs.peaks (1.95, 2.01, 36.01 ppm; 2.89 A): 2 out of 26 assignments used, quality = 1.00: * HB3 GLU 128 + HG2 GLU 128 OK 97 100 - 97 - 3.0=90, 7239/1.8=19...(15) HB3 GLU 128 + HG3 GLU 128 OK 97 100 - 97 - 3.0=90, 7239/1.8=19...(15) HB3 ARG 95 - HG3 GLU 128 lone 2 73 - 3 - HB3 ARG 95 - HG2 GLU 128 lone 2 73 - 3 - HB3 LYS 96 - HG3 GLU 128 lone 1 70 - 2 - HB3 LYS 96 - HG2 GLU 128 lone 1 70 - 2 - HB2 GLU 41 - HG2 GLU 128 lone 1 99 - 1 - HB2 GLU 41 - HG3 GLU 128 lone 1 99 - 1 - HB3 GLU 41 - HG3 GLU 128 lone 1 99 - 1 - HB3 GLU 41 - HG2 GLU 128 lone 1 99 - 1 - HB3 LYS 40 - HG2 GLU 128 lone 1 94 - 1 - HB3 LYS 40 - HG3 GLU 128 lone 1 94 - 1 - HB2 LEU 70 - HG2 GLU 128 lone 0 87 - 0 - HB2 LEU 70 - HG3 GLU 128 lone 0 87 - 0 - HB3 MET 42 - HG3 GLU 128 lone 0 99 - 0 - HB3 MET 42 - HG2 GLU 128 lone 0 99 - 0 - HB3 LYS 39 - HG2 GLU 128 lone 0 98 - 0 - HB3 LYS 39 - HG3 GLU 128 lone 0 98 - 0 - HB VAL 104 - HG2 GLU 128 lone 0 96 - 0 - HB VAL 104 - HG3 GLU 128 lone 0 96 - 0 - HB VAL 29 - HG2 GLU 128 lone 0 100 - 0 - HB VAL 29 - HG3 GLU 128 lone 0 100 - 0 - HB3 GLU 52 - HG3 GLU 128 lone 0 100 - 0 - HB3 GLU 52 - HG2 GLU 128 lone 0 100 - 0 - HB3 GLU 21 - HG2 GLU 128 lone 0 61 - 0 - HB3 GLU 21 - HG3 GLU 128 lone 0 61 - 0 - Peak 7245 from cnoeabs.peaks (2.01, 2.01, 36.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 GLU 128 + HG3 GLU 128 OK 100 100 - 100 * HG2 GLU 128 + HG2 GLU 128 OK 100 100 - 100 Peak 7246 from cnoeabs.peaks (2.01, 2.01, 36.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 GLU 128 + HG3 GLU 128 OK 100 100 - 100 HG2 GLU 128 + HG2 GLU 128 OK 100 100 - 100 Reference assignment not found: HG3 GLU 128 - HG2 GLU 128 Peak 7247 from cnoeabs.peaks (8.08, 2.01, 36.01 ppm; 4.24 A): 2 out of 8 assignments used, quality = 0.99: * H GLU 128 + HG3 GLU 128 OK 93 100 - 93 - 5.0=62, 1838/3.0=31...(10) H GLU 128 + HG2 GLU 128 OK 93 100 - 93 - 5.0=62, 1838/3.0=31...(10) H GLU 92 - HG2 GLU 128 OK 20 99 - 20 - 7235/3.0=5, 3.0/10881=4...(7) H GLU 92 - HG3 GLU 128 OK 20 99 - 20 - 7235/3.0=5, 3.0/10881=4...(7) H PHE 93 - HG3 GLU 128 lone 3 61 - 6 - 3.6/10881=3 H PHE 93 - HG2 GLU 128 lone 3 61 - 6 - 3.6/10881=3 H SER 99 - HG2 GLU 128 lone 1 77 - 1 - H SER 99 - HG3 GLU 128 lone 1 77 - 1 - Peak 7248 from cnoeabs.peaks (3.91, 2.01, 36.01 ppm; 3.81 A): 2 out of 10 assignments used, quality = 1.00: HA GLU 128 + HG2 GLU 128 OK 99 100 - 99 - 4.0=87, 3.0/7240=20...(21) * HA GLU 128 + HG3 GLU 128 OK 99 100 - 99 - 4.0=87, 3.0/7240=20...(21) HA LEU 64 - HG2 GLU 128 lone 3 100 - 3 - 9688/10879=1 HA LEU 64 - HG3 GLU 128 lone 3 100 - 3 - 9688/10879=1 HA LEU 38 - HG2 GLU 128 lone 1 100 - 1 - HA LEU 38 - HG3 GLU 128 lone 1 100 - 1 - HB2 SER 35 - HG3 GLU 128 lone 1 90 - 1 - HB2 SER 35 - HG2 GLU 128 lone 1 90 - 1 - HA ARG 118 - HG2 GLU 128 lone 0 77 - 0 - HA ARG 118 - HG3 GLU 128 lone 0 77 - 0 - Peak 7249 from cnoeabs.peaks (1.90, 2.01, 36.01 ppm; 2.96 A): 2 out of 40 assignments used, quality = 1.00: HB2 GLU 128 + HG2 GLU 128 OK 99 100 - 99 - 3.0=96, 1.8/7239=19...(15) * HB2 GLU 128 + HG3 GLU 128 OK 99 100 - 99 - 3.0=96, 1.8/7239=19...(15) HB2 ARG 95 - HG2 GLU 128 lone 4 99 - 4 - HB2 ARG 95 - HG3 GLU 128 lone 4 99 - 4 - HB2 LYS 96 - HG3 GLU 128 lone 2 100 - 2 - HB2 LYS 96 - HG2 GLU 128 lone 2 100 - 2 - HB3 LYS 123 - HG3 GLU 128 lone 1 84 - 1 - HB3 LYS 123 - HG2 GLU 128 lone 1 84 - 1 - HB3 LYS 44 - HG3 GLU 128 lone 1 99 - 1 - HB3 LYS 44 - HG2 GLU 128 lone 1 99 - 1 - HB2 LYS 73 - HG3 GLU 128 lone 1 98 - 1 - HB2 LYS 73 - HG2 GLU 128 lone 1 98 - 1 - HB3 LYS 73 - HG2 GLU 128 lone 1 97 - 1 - HB3 LYS 73 - HG3 GLU 128 lone 1 97 - 1 - HB2 LYS 44 - HG2 GLU 128 lone 1 92 - 1 - HB2 LYS 44 - HG3 GLU 128 lone 1 92 - 1 - HB2 LEU 45 - HG3 GLU 128 lone 1 100 - 1 - HB2 LEU 45 - HG2 GLU 128 lone 1 100 - 1 - HB ILE 15 - HG3 GLU 128 lone 1 81 - 1 - HB ILE 15 - HG2 GLU 128 lone 1 81 - 1 - HB ILE 71 - HG2 GLU 128 lone 0 99 - 0 - HB ILE 71 - HG3 GLU 128 lone 0 99 - 0 - HB3 LYS 43 - HG2 GLU 128 lone 0 100 - 0 - HB3 LYS 43 - HG3 GLU 128 lone 0 100 - 0 - HB2 LYS 43 - HG2 GLU 128 lone 0 98 - 0 - HB2 LYS 43 - HG3 GLU 128 lone 0 98 - 0 - HG LEU 45 - HG3 GLU 128 lone 0 61 - 1 - HG LEU 45 - HG2 GLU 128 lone 0 61 - 1 - HB2 LYS 49 - HG3 GLU 128 lone 0 100 - 0 - HB2 LYS 49 - HG2 GLU 128 lone 0 100 - 0 - HB3 LYS 20 - HG2 GLU 128 lone 0 90 - 0 - HB2 LYS 20 - HG2 GLU 128 lone 0 90 - 0 - HB2 LYS 20 - HG3 GLU 128 lone 0 90 - 0 - HB3 LYS 20 - HG3 GLU 128 lone 0 90 - 0 - HB ILE 7 - HG2 GLU 128 lone 0 94 - 0 - HB ILE 7 - HG3 GLU 128 lone 0 94 - 0 - HG2 MET 121 - HG2 GLU 128 lone 0 73 - 0 - HG2 MET 121 - HG3 GLU 128 lone 0 73 - 0 - HB2 LEU 81 - HG3 GLU 128 lone 0 65 - 0 - HB2 LEU 81 - HG2 GLU 128 lone 0 65 - 0 - Peak 7250 from cnoeabs.peaks (1.95, 2.01, 36.01 ppm; 2.89 A): 2 out of 26 assignments used, quality = 1.00: HB3 GLU 128 + HG2 GLU 128 OK 97 100 - 97 - 3.0=90, 7239/1.8=19...(15) * HB3 GLU 128 + HG3 GLU 128 OK 97 100 - 97 - 3.0=90, 7239/1.8=19...(15) HB3 ARG 95 - HG3 GLU 128 lone 2 73 - 3 - HB3 ARG 95 - HG2 GLU 128 lone 2 73 - 3 - HB3 LYS 96 - HG3 GLU 128 lone 1 70 - 2 - HB3 LYS 96 - HG2 GLU 128 lone 1 70 - 2 - HB2 GLU 41 - HG2 GLU 128 lone 1 99 - 1 - HB2 GLU 41 - HG3 GLU 128 lone 1 99 - 1 - HB3 GLU 41 - HG3 GLU 128 lone 1 99 - 1 - HB3 GLU 41 - HG2 GLU 128 lone 1 99 - 1 - HB3 LYS 40 - HG2 GLU 128 lone 1 94 - 1 - HB3 LYS 40 - HG3 GLU 128 lone 1 94 - 1 - HB2 LEU 70 - HG2 GLU 128 lone 0 87 - 0 - HB2 LEU 70 - HG3 GLU 128 lone 0 87 - 0 - HB3 MET 42 - HG3 GLU 128 lone 0 99 - 0 - HB3 MET 42 - HG2 GLU 128 lone 0 99 - 0 - HB3 LYS 39 - HG2 GLU 128 lone 0 98 - 0 - HB3 LYS 39 - HG3 GLU 128 lone 0 98 - 0 - HB VAL 104 - HG2 GLU 128 lone 0 96 - 0 - HB VAL 104 - HG3 GLU 128 lone 0 96 - 0 - HB VAL 29 - HG2 GLU 128 lone 0 100 - 0 - HB VAL 29 - HG3 GLU 128 lone 0 100 - 0 - HB3 GLU 52 - HG3 GLU 128 lone 0 100 - 0 - HB3 GLU 52 - HG2 GLU 128 lone 0 100 - 0 - HB3 GLU 21 - HG2 GLU 128 lone 0 61 - 0 - HB3 GLU 21 - HG3 GLU 128 lone 0 61 - 0 - Peak 7251 from cnoeabs.peaks (2.01, 2.01, 36.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HG3 GLU 128 + HG3 GLU 128 OK 100 100 - 100 HG2 GLU 128 + HG2 GLU 128 OK 100 100 - 100 Reference assignment not found: HG2 GLU 128 - HG3 GLU 128 Peak 7252 from cnoeabs.peaks (2.01, 2.01, 36.01 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HG3 GLU 128 + HG3 GLU 128 OK 100 100 - 100 HG2 GLU 128 + HG2 GLU 128 OK 100 100 - 100 Peak 7303 from cnoeabs.peaks (9.08, 4.83, 59.56 ppm; 4.78 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 4 + HA ILE 3 OK 100 100 - 100 - 3.6=100 Peak 7304 from cnoeabs.peaks (9.08, 1.81, 40.51 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 4 + HB ILE 3 OK 100 100 - 100 - 4.4=100 Peak 7305 from cnoeabs.peaks (9.08, 1.08, 17.85 ppm; 3.74 A): 1 out of 2 assignments used, quality = 0.87: * H LEU 4 + QG2 ILE 3 OK 87 100 - 87 - 4.4=63, 2/3.2=27...(9) H LEU 81 - QG2 ILE 3 lone 3 65 - 4 - 9889/10661=1 Peak 7307 from cnoeabs.peaks (9.08, 1.22, 27.38 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.97: * H LEU 4 + HG13 ILE 3 OK 97 100 - 97 - 6=50, 7305/3.2=48...(7) H LEU 81 - HG13 ILE 3 lone 5 65 - 7 - 7308/2.1=2, 9520/1.8=2 Peak 7308 from cnoeabs.peaks (9.08, 0.97, 13.48 ppm; 4.94 A): 1 out of 2 assignments used, quality = 0.90: * H LEU 4 + QD1 ILE 3 OK 90 100 - 90 - 7305/3.0=41, 7=37...(7) H LEU 81 - QD1 ILE 3 lone 4 65 - 6 - 7305/3.0=1, 9520/2.1=1...(4) Peak 7309 from cnoeabs.peaks (8.77, 5.46, 53.34 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 5 + HA LEU 4 OK 100 100 - 100 - 3.6=100 Peak 7310 from cnoeabs.peaks (8.77, 1.44, 45.31 ppm; 5.51 A): 2 out of 2 assignments used, quality = 1.00: H ILE 5 + HB3 LEU 4 OK 100 100 - 100 - 4.4=100 * H ILE 5 + HB2 LEU 4 OK 100 100 - 100 - 4.4=100 Peak 7312 from cnoeabs.peaks (8.77, 1.45, 28.19 ppm; 6.20 A): 2 out of 8 assignments used, quality = 0.93: * H ILE 5 + HG LEU 4 OK 93 100 - 93 - 9/3.7=49, 7313/2.1=40...(11) H VAL 29 + HG LEU 4 OK 11 90 - 13 - 7313/2.1=4, 4.6/1196=4 H MET 42 - HG LEU 4 poor 10 81 - 12 - 7313/2.1=4, 6.1/9429=4 H ILE 5 - HG LEU 80 poor 8 76 - 11 - 4.7/1045=5, 4.6/2381=2 H ILE 18 - HG LEU 4 poor 6 57 - 11 - 7314/2.1=2, ~11027=2...(5) H VAL 29 - HG LEU 80 lone 3 62 - 4 - 4.0/11089=1 H MET 42 - HG LEU 80 lone 2 54 - 4 - 6.1/9429=2 H ILE 18 - HG LEU 80 lone 2 36 - 5 - 3.6/2815=1 Peak 7313 from cnoeabs.peaks (8.77, 0.64, 25.46 ppm; 4.38 A): 1 out of 4 assignments used, quality = 0.81: * H ILE 5 + QD1 LEU 4 OK 81 100 - 81 - 9/3.8=33, 13=24...(10) H VAL 29 - QD1 LEU 4 lone 9 90 - 10 - 4.6/9237=2, 4.6/11481=2...(4) H MET 42 - QD1 LEU 4 poor 8 81 - 10 - 6.1/10736=3, 5.0/10732=3...(4) H ILE 18 - QD1 LEU 4 lone 4 57 - 6 - 7314/2.1=2, ~11027=1 Peak 7314 from cnoeabs.peaks (8.77, 0.68, 25.98 ppm; 4.61 A): 3 out of 8 assignments used, quality = 0.93: * H ILE 5 + QD2 LEU 4 OK 86 100 - 86 - 9/3.8=36, 7313/2.1=32...(10) H ILE 5 + QD1 LEU 55 OK 34 55 - 62 - 9057/4.0=26...(8) H VAL 29 + QD1 LEU 55 OK 20 44 - 45 - ~9513=16, ~9521=9...(8) H VAL 29 - QD2 LEU 4 poor 10 90 - 11 - 4.6/9254=4, 7313/2.1=3 H MET 42 - QD2 LEU 4 lone 8 81 - 9 - 7313/2.1=3, 6.1/9432=2 H ILE 18 - QD2 LEU 4 poor 8 57 - 13 - 4.6/11709=2, 4.6/10914=2...(6) H ILE 18 - QD1 LEU 55 poor 4 25 - 17 - 9529/4.6=3, 9527/2.1=3...(8) H MET 42 - QD1 LEU 55 lone 2 38 - 6 - 9529/4.6=2, 9527/2.1=1 Peak 7315 from cnoeabs.peaks (9.23, 4.83, 60.54 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 6 + HA ILE 5 OK 100 100 - 100 - 3.6=100 Peak 7316 from cnoeabs.peaks (9.23, 1.65, 39.53 ppm; 5.30 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 6 + HB ILE 5 OK 100 100 - 100 - 4.5=100 Peak 7317 from cnoeabs.peaks (9.23, 0.84, 17.12 ppm; 3.89 A): 1 out of 2 assignments used, quality = 0.85: * H LEU 6 + QG2 ILE 5 OK 85 100 - 85 - 4.4=71, 16/3.2=29...(7) H LEU 6 - QG2 ILE 15 lone 8 95 - 8 - 18=2, 4.7/10672=1 Peak 7321 from cnoeabs.peaks (8.93, 5.35, 53.00 ppm; 3.48 A): 1 out of 1 assignment used, quality = 0.97: * H ILE 7 + HA LEU 6 OK 97 100 - 97 - 3.6=92, 7326/3.9=15...(12) Peak 7324 from cnoeabs.peaks (8.93, 1.52, 27.91 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.96: * H ILE 7 + HG LEU 6 OK 96 100 - 96 - 7326/2.1=50, 23/3.6=50...(9) Peak 7326 from cnoeabs.peaks (8.93, 0.71, 25.51 ppm; 4.55 A): 1 out of 1 assignment used, quality = 0.95: * H ILE 7 + QD1 LEU 6 OK 95 100 - 95 - 5.0=76, 23/3.9=37...(9) Peak 7327 from cnoeabs.peaks (8.63, 5.18, 58.22 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 8 + HA ILE 7 OK 100 100 - 100 - 3.6=100 Peak 7328 from cnoeabs.peaks (8.63, 1.89, 40.15 ppm; 6.19 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 8 + HB ILE 7 OK 100 100 - 100 - 4.5=100 Peak 7329 from cnoeabs.peaks (8.63, 0.74, 16.61 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 8 + QG2 ILE 7 OK 100 100 - 100 - 3.8=100 Peak 7332 from cnoeabs.peaks (8.63, 0.77, 14.16 ppm; 5.73 A): 1 out of 4 assignments used, quality = 0.84: * H ASN 8 + QD1 ILE 7 OK 84 100 - 84 - 30/4.1=44, 32/3.3=34...(7) H GLU 87 - QD1 ILE 7 lone 9 96 - 9 - ~11410=5, 4.0/9076=2 H GLN 85 - QD1 ILE 7 poor 8 70 - 11 - ~10030=3, 4.0/9076=2...(4) H VAL 104 - QD1 ILE 7 lone 2 70 - 3 - Peak 7333 from cnoeabs.peaks (8.04, 5.90, 51.10 ppm; 3.44 A): 1 out of 8 assignments used, quality = 0.94: * H THR 9 + HA ASN 8 OK 94 100 - 94 - 3.6=90, 39/3.0=11...(8) H LYS 65 - HA ASN 8 OK 31 98 - 31 - 37=10, 4.7/11688=9...(7) H LEU 90 - HA ASN 8 lone 1 100 - 1 - H GLN 122 - HA ASN 8 lone 1 92 - 1 - H ASP 109 - HA ASN 8 lone 1 96 - 1 - H ARG 118 - HA ASN 8 lone 1 65 - 2 - H VAL 22 - HA ASN 8 lone 1 97 - 1 - H HIS 131 - HA ASN 8 lone 0 77 - 1 - Peak 7335 from cnoeabs.peaks (8.04, 2.27, 42.58 ppm; 6.13 A): 1 out of 1 assignment used, quality = 1.00: * H THR 9 + HB3 ASN 8 OK 100 100 - 100 - 4.6=100 Peak 7336 from cnoeabs.peaks (8.44, 4.74, 60.69 ppm; 4.68 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 10 + HA THR 9 OK 100 100 - 100 - 3.6=100 Peak 7337 from cnoeabs.peaks (8.44, 4.32, 67.77 ppm; 4.45 A): 2 out of 5 assignments used, quality = 0.99: * H ASN 10 + HB THR 9 OK 98 100 - 98 - 4.7=88, 43/3.0=42...(7) H GLN 83 + HB THR 9 OK 73 100 - 73 - 9997=32, 10691/3.0=27...(6) H GLN 62 - HB THR 9 lone 4 98 - 4 - 1858/4.0=1 H VAL 32 - HB THR 9 lone 3 100 - 3 - 1206/2.1=1 H ILE 3 - HB THR 9 lone 1 99 - 1 - Peak 7338 from cnoeabs.peaks (8.44, 0.86, 19.21 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 10 + QG2 THR 9 OK 100 100 - 100 - 4.0=100 Peak 7339 from cnoeabs.peaks (8.37, 4.97, 51.84 ppm; 4.05 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 11 + HA ASN 10 OK 100 100 - 100 - 3.6=100 Peak 7341 from cnoeabs.peaks (8.37, 2.82, 39.32 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 11 + HB3 ASN 10 OK 100 100 - 100 - 4.4=100 Peak 7342 from cnoeabs.peaks (8.59, 4.69, 52.44 ppm; 3.16 A): 1 out of 6 assignments used, quality = 0.70: * H ASP 12 + HA ASN 11 OK 70 100 - 70 - 3.6=70 H ALA 124 - HA ASN 11 lone 0 77 - 0 - H ILE 71 - HA ASN 11 lone 0 87 - 0 - H LEU 80 - HA ASN 11 lone 0 77 - 0 - H LYS 94 - HA ASN 11 lone 0 57 - 0 - H THR 108 - HA ASN 11 lone 0 65 - 0 - Peak 7344 from cnoeabs.peaks (8.59, 2.74, 38.35 ppm; 5.83 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 12 + HB3 ASN 11 OK 100 100 - 100 - 4.4=100 Peak 7345 from cnoeabs.peaks (8.29, 4.27, 57.61 ppm; 4.54 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 13 + HA ASP 12 OK 100 100 - 100 - 3.6=100 Peak 7346 from cnoeabs.peaks (8.29, 2.64, 41.16 ppm; 4.08 A): 2 out of 4 assignments used, quality = 0.98: H GLU 13 + HB3 ASP 12 OK 86 100 - 86 - 4.6=69, 1861/4.0=28...(6) * H GLU 13 + HB2 ASP 12 OK 86 100 - 86 - 4.6=69, 1861/4.0=28...(6) H LYS 77 - HB3 ASP 12 lone 1 100 - 1 - H LYS 77 - HB2 ASP 12 lone 1 100 - 1 - Peak 7347 from cnoeabs.peaks (8.29, 2.64, 41.16 ppm; 4.08 A): 2 out of 4 assignments used, quality = 0.98: * H GLU 13 + HB3 ASP 12 OK 86 100 - 86 - 4.6=69, 1861/4.0=28...(6) H GLU 13 + HB2 ASP 12 OK 86 100 - 86 - 4.6=69, 1861/4.0=28...(6) H LYS 77 - HB3 ASP 12 lone 1 100 - 1 - H LYS 77 - HB2 ASP 12 lone 1 100 - 1 - Peak 7348 from cnoeabs.peaks (7.58, 4.03, 59.01 ppm; 3.69 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 14 + HA GLU 13 OK 100 100 - 100 - 3.6=100 Peak 7349 from cnoeabs.peaks (7.58, 2.06, 28.71 ppm; 3.82 A): 2 out of 9 assignments used, quality = 0.92: * H LEU 14 + HB2 GLU 13 OK 89 100 - 89 - 4.4=63, 65/1.8=35...(6) H LYS 17 + HB2 GLU 13 OK 27 98 - 27 - 1989/3.0=8, 7350/1.8=8...(5) H LEU 14 - HB2 GLU 92 poor 7 54 - 14 - 64=4, 67/3.0=4...(5) HE21 GLN 25 - HB2 GLU 13 lone 4 81 - 4 - 11666=1 H LYS 17 - HB2 GLU 92 lone 2 50 - 3 - H LEU 14 - HB3 GLU 91 lone 1 63 - 2 - H LYS 17 - HB3 GLU 91 lone 0 59 - 1 - HE21 GLN 25 - HB2 GLU 92 lone 0 37 - 1 - HE21 GLN 25 - HB3 GLU 91 lone 0 44 - 1 - Peak 7350 from cnoeabs.peaks (7.58, 2.16, 28.71 ppm; 4.11 A): 1 out of 3 assignments used, quality = 0.94: * H LEU 14 + HB3 GLU 13 OK 94 100 - 94 - 4.4=79, 64/1.8=28...(6) H LYS 17 - HB3 GLU 13 OK 30 98 - 31 - 1989/3.0=9, 7349/1.8=9...(5) HE21 GLN 25 - HB3 GLU 13 lone 3 81 - 4 - 11666/1.8=1 Peak 7351 from cnoeabs.peaks (7.58, 2.36, 36.01 ppm; 4.78 A): 2 out of 3 assignments used, quality = 0.94: * H LEU 14 + HG2 GLU 13 OK 90 100 - 90 - 66=41, 65/3.0=38...(7) H LYS 17 + HG2 GLU 13 OK 37 98 - 38 - 1989/4.1=9, 7350/3.0=9...(6) HE21 GLN 25 - HG2 GLU 13 lone 5 81 - 6 - 11666/3.0=2, 7352/1.8=1 Peak 7352 from cnoeabs.peaks (7.58, 2.31, 36.01 ppm; 4.85 A): 2 out of 15 assignments used, quality = 0.93: * H LEU 14 + HG3 GLU 13 OK 88 100 - 88 - 65/3.0=38, 67=34...(7) H LYS 17 + HG3 GLU 13 OK 37 98 - 38 - 7351/1.8=11, 1989/4.1=10...(5) H LEU 14 - HG2 GLU 92 OK 24 96 - 26 - 67=9, 4.6/1087=6...(6) H LEU 14 - HG3 GLU 89 OK 10 100 - 10 - 67=4, 4.6/1087=2...(4) HE21 GLN 25 - HG3 GLU 13 lone 5 81 - 6 - 11666/3.0=2, 7351/1.8=2 H LYS 17 - HG2 GLU 92 lone 4 92 - 5 - 1989/4.0=1 H LEU 14 - HG3 GLU 48 lone 4 87 - 4 - 67=1 H LYS 17 - HG3 GLU 89 lone 3 98 - 3 - 1987/5.2=1 HE21 GLN 25 - HG3 GLU 89 lone 2 80 - 2 - HE21 GLN 25 - HG2 GLU 92 lone 1 73 - 2 - H LEU 14 - HG3 GLU 103 lone 1 43 - 3 - HE21 GLN 25 - HG3 GLU 48 lone 1 64 - 2 - H LYS 17 - HG3 GLU 48 lone 1 83 - 1 - H LYS 17 - HG3 GLU 103 lone 1 40 - 1 - HE21 GLN 25 - HG3 GLU 103 lone 0 29 - 1 - Peak 7354 from cnoeabs.peaks (8.24, 1.82, 40.10 ppm; 5.32 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 15 + HB2 LEU 14 OK 100 100 - 100 - 4.6=100 Peak 7355 from cnoeabs.peaks (8.24, 1.50, 40.10 ppm; 5.73 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 15 + HB3 LEU 14 OK 100 100 - 100 - 4.6=100 Peak 7357 from cnoeabs.peaks (8.24, 0.86, 22.48 ppm; 4.43 A): 2 out of 3 assignments used, quality = 0.92: * H ILE 15 + QD1 LEU 14 OK 88 100 - 88 - 71/3.1=26, 1863/4.3=26...(15) H GLU 112 + QD1 LEU 14 OK 37 99 - 38 - 7358/2.1=10, 10399=5...(13) H GLU 89 - QD1 LEU 14 lone 2 70 - 3 - Peak 7358 from cnoeabs.peaks (8.24, 0.76, 24.53 ppm; 4.83 A): 2 out of 3 assignments used, quality = 0.94: * H ILE 15 + QD2 LEU 14 OK 90 100 - 90 - 1863/4.3=30, 71/3.1=29...(13) H GLU 112 + QD2 LEU 14 OK 39 99 - 40 - 7357/2.1=12, 10400=6...(10) H GLU 89 - QD2 LEU 14 lone 2 70 - 3 - Peak 7359 from cnoeabs.peaks (7.60, 3.22, 66.59 ppm; 4.61 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 16 + HA ILE 15 OK 100 100 - 100 - 3.6=100 Peak 7360 from cnoeabs.peaks (7.60, 1.92, 37.42 ppm; 4.03 A): 2 out of 7 assignments used, quality = 0.93: * H LYS 16 + HB ILE 15 OK 90 100 - 90 - 4.5=74, 78/2.1=22...(8) H LEU 74 + HB ILE 15 OK 33 99 - 34 - 79/2.9=7, 1864/3.8=7...(8) H LYS 115 - HB ILE 15 lone 8 84 - 10 - 1864/3.8=3, 7364/3.2=1 H ASP 34 - HB ILE 15 lone 4 87 - 5 - 9319/2.1=1, 7364/3.2=1 HE ARG 105 - HB ILE 15 lone 2 99 - 2 - H GLN 100 - HB ILE 15 lone 1 61 - 2 - HE21 GLN 85 - HB ILE 15 lone 1 57 - 1 - Peak 7361 from cnoeabs.peaks (7.60, 0.85, 17.08 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 16 + QG2 ILE 15 OK 100 100 - 100 - 4.1=100 Peak 7362 from cnoeabs.peaks (7.60, 1.73, 30.33 ppm; 6.14 A): 3 out of 7 assignments used, quality = 0.94: * H LYS 16 + HG12 ILE 15 OK 86 100 - 86 - 4.6/2699=35, 7360/2.9=32...(7) H LEU 74 + HG12 ILE 15 OK 48 99 - 49 - 7364/2.1=13, 7360/2.9=12...(8) H LYS 115 + HG12 ILE 15 OK 16 84 - 19 - 1864/5.0=4, 7364/2.1=3...(7) H ASP 34 - HG12 ILE 15 lone 8 87 - 9 - 7364/2.1=2, 7360/2.9=1...(4) HE ARG 105 - HG12 ILE 15 lone 4 99 - 4 - H GLN 100 - HG12 ILE 15 lone 2 61 - 4 - HE21 GLN 85 - HG12 ILE 15 lone 2 57 - 3 - Peak 7364 from cnoeabs.peaks (7.60, 0.76, 13.07 ppm; 4.97 A): 2 out of 7 assignments used, quality = 0.92: * H LYS 16 + QD1 ILE 15 OK 86 100 - 86 - 4.6/2713=26, 4.1/2716=26...(9) H LEU 74 + QD1 ILE 15 OK 42 99 - 43 - 79/2.1=10, 7360/3.2=9...(9) H LYS 115 - QD1 ILE 15 poor 10 84 - 12 - 1864/5.0=3, 7362/2.1=2...(4) H ASP 34 - QD1 ILE 15 lone 7 87 - 8 - 9319/3.0=1, 7362/2.1=1 HE ARG 105 - QD1 ILE 15 lone 3 99 - 3 - H GLN 100 - QD1 ILE 15 lone 2 61 - 3 - HE21 GLN 85 - QD1 ILE 15 lone 1 57 - 2 - Peak 7365 from cnoeabs.peaks (7.58, 3.84, 60.17 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 17 + HA LYS 16 OK 100 100 - 100 - 3.6=100 Peak 7366 from cnoeabs.peaks (7.58, 1.88, 32.16 ppm; 3.18 A): 3 out of 15 assignments used, quality = 0.92: * H LYS 17 + HB2 LYS 16 OK 68 100 - 68 - 4.7=32, 82/4.0=15...(12) H LYS 17 + HB3 LYS 16 OK 68 100 - 68 - 4.7=32, 82/4.0=15...(12) H LYS 17 + HB3 LYS 20 OK 23 65 - 36 - 85=7, 3.0/7996=5...(13) H LYS 17 - HB2 LYS 20 OK 23 65 - 36 - 85=7, 3.0/7996=5...(13) H LEU 14 - HB2 LYS 16 OK 22 98 - 23 - 7369/3.0=6, 7368/3.0=6...(6) H LEU 14 - HB3 LYS 16 OK 22 98 - 23 - 7369/3.0=6, 7368/3.0=6...(6) H LYS 17 - HB3 LYS 73 lone 5 63 - 8 - 82/4.3=3, 85=1 H LEU 14 - HB3 LYS 20 lone 4 61 - 6 - 1091/2.9=1 H LEU 14 - HB2 LYS 20 lone 4 61 - 6 - 1091/2.9=1 H LEU 14 - HB3 LYS 73 lone 1 59 - 2 - HE ARG 105 - HB2 LYS 16 lone 1 73 - 1 - HE ARG 105 - HB3 LYS 16 lone 1 73 - 1 - HE ARG 105 - HB3 LYS 73 lone 0 39 - 0 - HE ARG 105 - HB3 LYS 20 lone 0 41 - 0 - HE ARG 105 - HB2 LYS 20 lone 0 41 - 0 - Peak 7367 from cnoeabs.peaks (7.58, 1.88, 32.16 ppm; 3.18 A): 4 out of 18 assignments used, quality = 0.94: H LYS 17 + HB2 LYS 16 OK 68 100 - 68 - 4.7=32, 82/4.0=15...(12) * H LYS 17 + HB3 LYS 16 OK 68 100 - 68 - 4.7=32, 82/4.0=15...(12) H LYS 17 + HB3 LYS 20 OK 25 69 - 36 - 85=7, 3.0/7996=5...(13) H LYS 17 + HB2 LYS 20 OK 25 69 - 36 - 85=7, 3.0/7996=5...(13) H LEU 14 - HB3 LYS 16 OK 22 98 - 23 - 7369/3.0=6, 7368/3.0=6...(6) H LEU 14 - HB2 LYS 16 OK 22 98 - 23 - 7369/3.0=6, 7368/3.0=6...(6) H LYS 17 - HB3 LYS 73 lone 5 68 - 8 - 82/4.3=3, 85=1 H LYS 17 - HB2 LYS 73 lone 5 63 - 8 - 82/4.3=3, 85=1 H LEU 14 - HB3 LYS 20 lone 4 65 - 6 - 1091/2.9=1 H LEU 14 - HB2 LYS 20 lone 4 65 - 6 - 1091/2.9=1 H LEU 14 - HB3 LYS 73 lone 1 64 - 2 - H LEU 14 - HB2 LYS 73 lone 1 59 - 2 - HE ARG 105 - HB3 LYS 16 lone 1 73 - 1 - HE ARG 105 - HB2 LYS 16 lone 1 73 - 1 - HE ARG 105 - HB3 LYS 73 lone 0 43 - 0 - HE ARG 105 - HB2 LYS 73 lone 0 39 - 0 - HE ARG 105 - HB2 LYS 20 lone 0 43 - 0 - HE ARG 105 - HB3 LYS 20 lone 0 43 - 0 - Peak 7368 from cnoeabs.peaks (7.58, 1.63, 25.30 ppm; 3.89 A): 2 out of 3 assignments used, quality = 0.82: * H LYS 17 + HG2 LYS 16 OK 74 100 - 74 - 7369/1.8=24, 86=20...(13) H LEU 14 + HG2 LYS 16 OK 32 98 - 33 - 7369/1.8=11, 9161/2.9=6...(7) HE ARG 105 - HG2 LYS 16 lone 1 73 - 1 - Peak 7369 from cnoeabs.peaks (7.58, 1.40, 25.30 ppm; 4.04 A): 2 out of 3 assignments used, quality = 0.88: * H LYS 17 + HG3 LYS 16 OK 80 100 - 80 - 7368/1.8=27, 3.6/2761=25...(15) H LEU 14 + HG3 LYS 16 OK 39 98 - 40 - 7368/1.8=12, 9161/2.9=6...(9) HE ARG 105 - HG3 LYS 16 lone 1 73 - 2 - Peak 7370 from cnoeabs.peaks (7.58, 1.69, 29.24 ppm; 4.16 A): 4 out of 15 assignments used, quality = 0.96: * H LYS 17 + HD2 LYS 16 OK 69 100 - 69 - 7368/2.9=23, 7369/2.9=21...(10) H LYS 17 + HD3 LYS 16 OK 69 99 - 69 - 7368/2.9=23, 7369/2.9=21...(10) H LEU 14 + HD2 LYS 16 OK 37 98 - 38 - 7369/2.9=10, 7368/2.9=10...(8) H LEU 14 + HD3 LYS 16 OK 36 97 - 37 - 7369/2.9=10, 7368/2.9=10...(7) H LYS 17 - HD2 LYS 40 OK 33 95 - 35 - 86/2.9=7, 1114/3.6=6...(13) H LYS 17 - HD3 LYS 40 OK 33 93 - 35 - 86/2.9=7, 1114/3.6=6...(13) H LEU 14 - HD2 LYS 40 lone 4 91 - 5 - 1092/2.9=1 H LEU 14 - HD3 LYS 40 lone 4 89 - 5 - 1092/2.9=1 H LYS 17 - HD2 LYS 44 lone 2 52 - 4 - HE ARG 105 - HD2 LYS 16 lone 1 73 - 2 - HE ARG 105 - HD3 LYS 16 lone 1 71 - 2 - H LEU 14 - HD2 LYS 44 lone 1 49 - 2 - HE ARG 105 - HD2 LYS 40 lone 0 65 - 1 - HE ARG 105 - HD3 LYS 40 lone 0 63 - 1 - HE ARG 105 - HD2 LYS 44 lone 0 32 - 1 - Peak 7371 from cnoeabs.peaks (7.58, 1.69, 29.24 ppm; 4.12 A): 4 out of 18 assignments used, quality = 0.96: * H LYS 17 + HD3 LYS 16 OK 68 100 - 68 - 7368/2.9=22, 7369/2.9=21...(10) H LYS 17 + HD2 LYS 16 OK 68 99 - 68 - 7368/2.9=22, 7369/2.9=21...(10) H LEU 14 + HD3 LYS 16 OK 37 98 - 37 - 7369/2.9=10, 7368/2.9=10...(8) H LEU 14 + HD2 LYS 16 OK 36 97 - 38 - 7369/2.9=10, 7368/2.9=10...(7) H LYS 17 - HD2 LYS 40 OK 30 89 - 35 - 86/2.9=7, 1114/3.6=6...(13) H LYS 17 - HD3 LYS 40 OK 29 85 - 34 - 86/2.9=7, 1114/3.6=6...(13) H LEU 14 - HD2 LYS 40 lone 4 84 - 5 - 1092/2.9=1 H LEU 14 - HD3 LYS 40 lone 4 81 - 5 - 1092/2.9=1 H LYS 17 - HD2 LYS 44 lone 3 68 - 4 - H LYS 17 - HD3 LYS 44 lone 2 58 - 4 - H LEU 14 - HD2 LYS 44 lone 2 64 - 2 - H LEU 14 - HD3 LYS 44 lone 1 54 - 2 - HE ARG 105 - HD3 LYS 16 lone 1 73 - 2 - HE ARG 105 - HD2 LYS 16 lone 1 71 - 2 - HE ARG 105 - HD2 LYS 40 lone 0 59 - 1 - HE ARG 105 - HD3 LYS 40 lone 0 56 - 1 - HE ARG 105 - HD2 LYS 44 lone 0 42 - 1 - HE ARG 105 - HD3 LYS 44 lone 0 35 - 1 - Peak 7374 from cnoeabs.peaks (8.79, 3.99, 59.84 ppm; 4.86 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 18 + HA LYS 17 OK 100 100 - 100 - 3.6=100 Peak 7375 from cnoeabs.peaks (8.79, 1.99, 33.06 ppm; 5.02 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 18 + HB2 LYS 17 OK 100 100 - 100 - 4.6=100 Peak 7376 from cnoeabs.peaks (8.79, 1.92, 33.06 ppm; 4.79 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 18 + HB3 LYS 17 OK 100 100 - 100 - 4.6=100 Peak 7378 from cnoeabs.peaks (8.79, 1.43, 25.82 ppm; 6.20 A): 1 out of 6 assignments used, quality = 0.89: * H ILE 18 + HG3 LYS 17 OK 89 100 - 89 - 1866/4.9=35, 94/3.0=33...(10) H MET 42 - HG3 LYS 17 lone 9 98 - 9 - 1866/4.9=5, 10434/10918=1 H ASN 59 - HG3 LYS 17 lone 4 94 - 5 - 4.6/9648=1 H ILE 5 - HG3 LYS 17 lone 4 57 - 7 - 4.0/10942=2 H VAL 29 - HG3 LYS 17 lone 3 94 - 4 - H ILE 54 - HG3 LYS 17 lone 2 61 - 4 - Peak 7383 from cnoeabs.peaks (8.53, 3.37, 65.47 ppm; 5.75 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 19 + HA ILE 18 OK 100 100 - 100 - 3.6=100 Peak 7384 from cnoeabs.peaks (8.53, 1.82, 37.56 ppm; 4.21 A): 1 out of 3 assignments used, quality = 0.95: * H LYS 19 + HB ILE 18 OK 95 100 - 95 - 4.5=84, 1867/3.9=23...(10) H ILE 57 - HB ILE 18 OK 17 94 - 18 - 1867/3.9=5, 1371=4...(6) H ASN 88 - HB ILE 18 lone 2 99 - 2 - Peak 7385 from cnoeabs.peaks (8.53, 0.72, 17.36 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 19 + QG2 ILE 18 OK 100 100 - 100 - 3.7=100 Peak 7388 from cnoeabs.peaks (8.53, 0.61, 13.41 ppm; 5.65 A): 2 out of 6 assignments used, quality = 0.97: * H LYS 19 + QD1 ILE 18 OK 95 100 - 95 - 3.7/2920=41, 7384/3.2=37...(11) H LYS 19 + QD1 ILE 5 OK 38 78 - 48 - 108=13, 3.6/2906=11...(10) H ILE 57 - QD1 ILE 18 OK 18 94 - 19 - 7384/3.2=7, 1867/5.0=6...(5) H ILE 57 - QD1 ILE 5 lone 5 69 - 7 - 1372/3.0=1, 1372/2.1=1 H ASN 88 - QD1 ILE 18 lone 3 99 - 3 - H ASN 88 - QD1 ILE 5 lone 1 75 - 2 - Peak 7389 from cnoeabs.peaks (7.30, 3.68, 60.85 ppm; 5.23 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 20 + HA LYS 19 OK 100 100 - 100 - 3.6=100 Peak 7390 from cnoeabs.peaks (7.30, 1.79, 32.33 ppm; 5.07 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 20 + HB2 LYS 19 OK 100 100 - 100 - 4.4=100 Peak 7391 from cnoeabs.peaks (7.30, 1.83, 32.33 ppm; 4.24 A): 1 out of 6 assignments used, quality = 0.96: * H LYS 20 + HB3 LYS 19 OK 96 100 - 96 - 4.4=88, 111/1.8=40...(7) H LYS 20 - HB3 LYS 77 lone 2 87 - 2 - H LYS 20 - HB2 LYS 77 lone 2 81 - 2 - HE21 GLN 100 - HB3 LYS 19 lone 1 70 - 1 - HE21 GLN 100 - HB3 LYS 77 lone 0 54 - 1 - HE21 GLN 100 - HB2 LYS 77 lone 0 49 - 1 - Peak 7398 from cnoeabs.peaks (7.67, 4.09, 58.54 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 21 + HA LYS 20 OK 100 100 - 100 - 3.6=100 Peak 7399 from cnoeabs.peaks (7.67, 1.89, 31.98 ppm; 3.51 A): 2 out of 24 assignments used, quality = 0.96: * H GLU 21 + HB2 LYS 20 OK 80 100 - 80 - 4.6=45, 120/3.0=22...(6) H GLU 21 + HB3 LYS 20 OK 80 100 - 80 - 4.6=45, 120/3.0=22...(6) H LEU 63 - HB3 LYS 20 OK 11 98 - 11 - 7401/2.9=2, 7402/2.9=2...(6) H LEU 63 - HB2 LYS 20 OK 11 98 - 11 - 7401/2.9=2, 7402/2.9=2...(6) H GLU 21 - HB3 LYS 43 OK 10 78 - 13 - 123/3.0=3, 120/3.0=3...(6) H GLU 21 - HB3 LYS 73 lone 7 86 - 8 - 124/2.9=2, 122=2...(5) H GLU 21 - HB2 LYS 73 lone 7 84 - 8 - 124/2.9=2, 122=2...(5) HE ARG 118 - HB2 LYS 20 lone 7 100 - 7 - 7402/2.9=2, 7401/2.9=2 HE ARG 118 - HB3 LYS 20 lone 7 100 - 7 - 7402/2.9=2, 7401/2.9=2 H GLU 21 - HB3 LYS 16 lone 3 69 - 4 - 3.6/3034=1 H GLU 21 - HB2 LYS 16 lone 2 65 - 4 - 3.6/3034=1 H GLU 21 - HB2 LYS 96 lone 1 74 - 2 - H LEU 63 - HB3 LYS 16 lone 1 65 - 1 - H LEU 63 - HB2 LYS 16 lone 1 61 - 1 - H LEU 63 - HB3 LYS 73 lone 1 82 - 1 - H LEU 63 - HB3 LYS 43 lone 1 74 - 1 - H LEU 63 - HB2 LYS 73 lone 1 80 - 1 - HE ARG 118 - HB3 LYS 73 lone 1 86 - 1 - HE ARG 118 - HB2 LYS 73 lone 1 84 - 1 - H LEU 63 - HB2 LYS 96 lone 0 70 - 1 - HE ARG 118 - HB3 LYS 43 lone 0 78 - 1 - HE ARG 118 - HB3 LYS 16 lone 0 69 - 0 - HE ARG 118 - HB2 LYS 16 lone 0 65 - 0 - HE ARG 118 - HB2 LYS 96 lone 0 74 - 0 - Peak 7400 from cnoeabs.peaks (7.67, 1.89, 31.98 ppm; 3.51 A): 2 out of 24 assignments used, quality = 0.96: H GLU 21 + HB2 LYS 20 OK 80 100 - 80 - 4.6=45, 120/3.0=22...(6) * H GLU 21 + HB3 LYS 20 OK 80 100 - 80 - 4.6=45, 120/3.0=22...(6) H LEU 63 - HB3 LYS 20 OK 11 98 - 11 - 7401/2.9=2, 7402/2.9=2...(6) H LEU 63 - HB2 LYS 20 OK 11 98 - 11 - 7401/2.9=2, 7402/2.9=2...(6) H GLU 21 - HB3 LYS 43 OK 10 78 - 13 - 123/3.0=3, 120/3.0=3...(6) H GLU 21 - HB3 LYS 73 lone 7 86 - 8 - 124/2.9=2, 122=2...(5) H GLU 21 - HB2 LYS 73 lone 7 84 - 8 - 124/2.9=2, 122=2...(5) HE ARG 118 - HB2 LYS 20 lone 7 100 - 7 - 7402/2.9=2, 7401/2.9=2 HE ARG 118 - HB3 LYS 20 lone 7 100 - 7 - 7402/2.9=2, 7401/2.9=2 H GLU 21 - HB3 LYS 16 lone 3 69 - 4 - 3.6/3034=1 H GLU 21 - HB2 LYS 16 lone 2 65 - 4 - 3.6/3034=1 H GLU 21 - HB2 LYS 96 lone 1 74 - 2 - H LEU 63 - HB3 LYS 16 lone 1 65 - 1 - H LEU 63 - HB2 LYS 16 lone 1 61 - 1 - H LEU 63 - HB3 LYS 73 lone 1 82 - 1 - H LEU 63 - HB3 LYS 43 lone 1 74 - 1 - H LEU 63 - HB2 LYS 73 lone 1 80 - 1 - HE ARG 118 - HB3 LYS 73 lone 1 86 - 1 - HE ARG 118 - HB2 LYS 73 lone 1 84 - 1 - H LEU 63 - HB2 LYS 96 lone 0 70 - 1 - HE ARG 118 - HB3 LYS 43 lone 0 78 - 1 - HE ARG 118 - HB3 LYS 16 lone 0 69 - 0 - HE ARG 118 - HB2 LYS 16 lone 0 65 - 0 - HE ARG 118 - HB2 LYS 96 lone 0 74 - 0 - Peak 7401 from cnoeabs.peaks (7.67, 1.51, 24.44 ppm; 4.76 A): 1 out of 3 assignments used, quality = 0.98: * H GLU 21 + HG2 LYS 20 OK 98 100 - 98 - 4.9=90, 7402/1.8=32...(6) H LEU 63 - HG2 LYS 20 OK 15 98 - 16 - 7402/1.8=5, 1869/4.9=3...(6) HE ARG 118 - HG2 LYS 20 OK 12 100 - 11 - 7402/1.8=4, 1869/4.9=2...(4) Peak 7402 from cnoeabs.peaks (7.67, 1.48, 24.44 ppm; 4.62 A): 1 out of 3 assignments used, quality = 0.96: * H GLU 21 + HG3 LYS 20 OK 96 100 - 96 - 4.9=82, 123/1.8=34...(6) H LEU 63 - HG3 LYS 20 OK 14 98 - 14 - 7401/1.8=5, 1869/4.9=3...(5) HE ARG 118 - HG3 LYS 20 OK 12 100 - 12 - 7401/1.8=4, 1869/4.9=2...(4) Peak 7418 from cnoeabs.peaks (7.84, 3.81, 45.96 ppm; 5.37 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 27 + HA2 GLY 26 OK 100 100 - 100 - 3.6=100 Peak 7419 from cnoeabs.peaks (7.84, 4.13, 45.96 ppm; 5.92 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 27 + HA3 GLY 26 OK 100 100 - 100 - 3.6=100 Peak 7420 from cnoeabs.peaks (8.34, 4.43, 58.05 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 28 + HA TYR 27 OK 100 100 - 100 - 3.6=100 Peak 7421 from cnoeabs.peaks (8.34, 2.66, 39.01 ppm; 5.60 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 28 + HB2 TYR 27 OK 100 100 - 100 - 4.2=100 Peak 7422 from cnoeabs.peaks (8.34, 2.37, 39.01 ppm; 5.26 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 28 + HB3 TYR 27 OK 100 100 - 100 - 4.2=100 Peak 7426 from cnoeabs.peaks (8.78, 4.50, 54.38 ppm; 3.18 A): 1 out of 5 assignments used, quality = 0.86: * H VAL 29 + HA GLN 28 OK 86 100 - 86 - 3.6=70, 159/3.0=16...(8) H ILE 5 - HA GLN 28 lone 3 90 - 4 - ~9232=1, ~9233=1 H MET 42 - HA GLN 28 lone 1 100 - 1 - H ILE 18 - HA GLN 28 lone 1 94 - 1 - H ASN 59 - HA GLN 28 lone 0 65 - 0 - Peak 7427 from cnoeabs.peaks (8.78, 2.06, 30.45 ppm; 5.09 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 29 + HB2 GLN 28 OK 100 100 - 100 - 4.6=100 Peak 7428 from cnoeabs.peaks (8.78, 1.78, 30.45 ppm; 5.44 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 29 + HB3 GLN 28 OK 100 100 - 100 - 4.6=100 Peak 7429 from cnoeabs.peaks (8.78, 2.24, 33.72 ppm; 6.04 A): 1 out of 5 assignments used, quality = 0.96: * H VAL 29 + HG2 GLN 28 OK 96 100 - 96 - 158/3.8=48, 161=48...(6) H ILE 5 - HG2 GLN 28 OK 13 90 - 15 - ~9233=6, 5.0/11486=4...(5) H MET 42 - HG2 GLN 28 lone 3 100 - 3 - H ILE 18 - HG2 GLN 28 lone 3 94 - 3 - H ASN 59 - HG2 GLN 28 lone 1 65 - 2 - Peak 7431 from cnoeabs.peaks (9.13, 5.04, 61.49 ppm; 3.42 A): 1 out of 1 assignment used, quality = 0.93: * H ARG 30 + HA VAL 29 OK 93 100 - 93 - 3.6=88, 7434/3.2=22...(8) Peak 7432 from cnoeabs.peaks (9.13, 1.95, 32.47 ppm; 6.09 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 30 + HB VAL 29 OK 100 100 - 100 - 4.4=100 Peak 7433 from cnoeabs.peaks (9.13, 0.90, 21.87 ppm; 4.98 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 30 + QG2 VAL 29 OK 100 100 - 100 - 4.3=100 Peak 7434 from cnoeabs.peaks (9.13, 0.80, 21.46 ppm; 3.78 A): 1 out of 1 assignment used, quality = 0.86: * H ARG 30 + QG1 VAL 29 OK 86 100 - 86 - 4.3=68, 7431/3.2=30...(5) Peak 7436 from cnoeabs.peaks (8.38, 1.65, 32.39 ppm; 5.17 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 31 + HB2 ARG 30 OK 100 100 - 100 - 4.6=100 Peak 7437 from cnoeabs.peaks (8.38, 1.51, 32.39 ppm; 5.87 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 31 + HB3 ARG 30 OK 100 100 - 100 - 4.6=100 Peak 7438 from cnoeabs.peaks (8.38, 1.50, 26.70 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 31 + HG2 ARG 30 OK 100 100 - 100 - 4.8=100 Peak 7439 from cnoeabs.peaks (8.38, 1.45, 26.70 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 31 + HG3 ARG 30 OK 100 100 - 100 - 4.8=100 Peak 7441 from cnoeabs.peaks (8.38, 2.93, 42.86 ppm; 6.19 A): 1 out of 5 assignments used, quality = 0.96: * H ASP 31 + HD3 ARG 30 OK 96 100 - 96 - 177=44, 171/5.3=43...(8) H PHE 79 - HD3 ARG 30 lone 4 100 - 4 - 4.1/9263=1 H ASP 36 - HD3 ARG 30 lone 2 90 - 3 - H MET 67 - HD3 ARG 30 lone 2 70 - 3 - H ASN 11 - HD3 ARG 30 lone 2 90 - 2 - Peak 7442 from cnoeabs.peaks (8.44, 5.21, 53.37 ppm; 3.27 A): 1 out of 5 assignments used, quality = 0.85: * H VAL 32 + HA ASP 31 OK 85 100 - 85 - 3.6=77, 181/3.0=10...(8) H ASN 10 - HA ASP 31 lone 4 100 - 3 - 1859/3.0=1 H GLN 83 - HA ASP 31 lone 3 99 - 3 - 9576/9570=1 H GLN 62 - HA ASP 31 lone 1 97 - 1 - H ILE 3 - HA ASP 31 lone 1 100 - 1 - Peak 7443 from cnoeabs.peaks (8.44, 2.47, 42.72 ppm; 4.20 A): 2 out of 10 assignments used, quality = 1.00: * H VAL 32 + HB2 ASP 31 OK 94 100 - 94 - 4.5=83, 179/3.0=42...(7) H VAL 32 + HB3 ASP 31 OK 94 100 - 94 - 4.5=83, 179/3.0=42...(7) H ASN 10 - HB2 ASP 31 lone 4 100 - 4 - 7442/3.0=1, 1859/4.1=1 H ASN 10 - HB3 ASP 31 lone 4 100 - 4 - 7442/3.0=1, 1859/4.1=1 H GLN 83 - HB2 ASP 31 lone 2 99 - 2 - 7442/3.0=1 H GLN 83 - HB3 ASP 31 lone 2 99 - 2 - 7442/3.0=1 H GLN 62 - HB2 ASP 31 lone 1 97 - 1 - H GLN 62 - HB3 ASP 31 lone 1 97 - 1 - H ILE 3 - HB2 ASP 31 lone 1 100 - 1 - H ILE 3 - HB3 ASP 31 lone 1 100 - 1 - Peak 7444 from cnoeabs.peaks (8.44, 2.47, 42.72 ppm; 4.20 A): 2 out of 10 assignments used, quality = 1.00: * H VAL 32 + HB3 ASP 31 OK 94 100 - 94 - 4.5=83, 179/3.0=42...(7) H VAL 32 + HB2 ASP 31 OK 94 100 - 94 - 4.5=83, 179/3.0=42...(7) H ASN 10 - HB3 ASP 31 lone 4 100 - 4 - 7442/3.0=1, 1859/4.1=1 H ASN 10 - HB2 ASP 31 lone 4 100 - 4 - 7442/3.0=1, 1859/4.1=1 H GLN 83 - HB3 ASP 31 lone 2 99 - 2 - 7442/3.0=1 H GLN 83 - HB2 ASP 31 lone 2 99 - 2 - 7442/3.0=1 H GLN 62 - HB3 ASP 31 lone 1 97 - 1 - H GLN 62 - HB2 ASP 31 lone 1 97 - 1 - H ILE 3 - HB3 ASP 31 lone 1 100 - 1 - H ILE 3 - HB2 ASP 31 lone 1 100 - 1 - Peak 7445 from cnoeabs.peaks (9.55, 4.25, 61.56 ppm; 3.36 A): 1 out of 1 assignment used, quality = 0.93: * H ASN 33 + HA VAL 32 OK 93 100 - 93 - 3.6=83, 7447/3.2=18...(10) Peak 7446 from cnoeabs.peaks (9.55, 1.78, 33.88 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 33 + HB VAL 32 OK 100 100 - 100 - 4.4=100 Peak 7447 from cnoeabs.peaks (9.55, 0.87, 21.73 ppm; 4.22 A): 1 out of 1 assignment used, quality = 0.98: * H ASN 33 + QG1 VAL 32 OK 98 100 - 98 - 4.4=90, 183/3.2=37...(14) Peak 7448 from cnoeabs.peaks (9.55, 0.76, 21.14 ppm; 4.81 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 33 + QG2 VAL 32 OK 100 100 - 100 - 4.4=100 Peak 7449 from cnoeabs.peaks (7.62, 4.98, 53.40 ppm; 4.57 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 34 + HA ASN 33 OK 100 100 - 100 - 3.6=100 Peak 7450 from cnoeabs.peaks (7.62, 2.91, 40.87 ppm; 5.63 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 34 + HB2 ASN 33 OK 100 100 - 100 - 4.6=100 Peak 7451 from cnoeabs.peaks (7.62, 2.69, 40.87 ppm; 4.78 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 34 + HB3 ASN 33 OK 100 100 - 100 - 4.6=100 Peak 7452 from cnoeabs.peaks (8.87, 4.70, 53.48 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: * H SER 35 + HA ASP 34 OK 100 100 - 100 - 3.6=100 Peak 7453 from cnoeabs.peaks (8.87, 2.91, 42.40 ppm; 4.39 A): 1 out of 2 assignments used, quality = 0.98: * H SER 35 + HB2 ASP 34 OK 98 100 - 98 - 4.5=93, 196/1.8=48...(7) H LEU 82 - HB2 ASP 34 lone 2 99 - 2 - Peak 7454 from cnoeabs.peaks (8.87, 3.09, 42.40 ppm; 4.01 A): 1 out of 2 assignments used, quality = 0.90: * H SER 35 + HB3 ASP 34 OK 90 100 - 90 - 4.5=71, 195/1.8=35...(4) H LEU 82 - HB3 ASP 34 lone 2 99 - 2 - Peak 7455 from cnoeabs.peaks (8.39, 4.05, 61.45 ppm; 5.56 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 36 + HA SER 35 OK 100 100 - 100 - 3.6=100 Peak 7456 from cnoeabs.peaks (8.39, 3.92, 62.76 ppm; 4.78 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 36 + HB2 SER 35 OK 100 100 - 100 - 4.4=100 Peak 7457 from cnoeabs.peaks (8.39, 3.95, 62.76 ppm; 4.91 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 36 + HB3 SER 35 OK 100 100 - 100 - 4.4=100 Peak 7458 from cnoeabs.peaks (9.01, 4.52, 57.67 ppm; 5.10 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 37 + HA ASP 36 OK 100 100 - 100 - 3.6=100 Peak 7459 from cnoeabs.peaks (9.01, 2.84, 40.28 ppm; 3.83 A): 1 out of 1 assignment used, quality = 0.87: * H GLU 37 + HB2 ASP 36 OK 87 100 - 87 - 4.3=70, 7460/1.8=37...(5) Peak 7460 from cnoeabs.peaks (9.01, 2.66, 40.28 ppm; 3.83 A): 1 out of 1 assignment used, quality = 0.87: * H GLU 37 + HB3 ASP 36 OK 87 100 - 87 - 4.3=70, 203/1.8=39...(4) Peak 7461 from cnoeabs.peaks (8.20, 4.06, 59.21 ppm; 4.48 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 38 + HA GLU 37 OK 100 100 - 100 - 3.6=100 Peak 7462 from cnoeabs.peaks (8.20, 2.27, 29.72 ppm; 4.74 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 38 + HB2 GLU 37 OK 100 100 - 100 - 4.7=100 Peak 7463 from cnoeabs.peaks (8.20, 2.17, 29.72 ppm; 4.64 A): 1 out of 8 assignments used, quality = 0.99: * H LEU 38 + HB3 GLU 37 OK 99 100 - 99 - 4.7=99 H GLU 111 - HB3 GLU 37 OK 17 92 - 19 - 7465/3.0=4, 1882/3.8=4...(6) H ASP 84 - HB3 GLU 37 OK 13 100 - 13 - 1882/3.8=3, 7465/3.0=3 H LEU 38 - HB2 GLU 98 poor 9 58 - 16 - 209/3.0=4, 208=4...(5) H GLU 89 - HB3 GLU 37 lone 5 65 - 8 - 1882/3.8=2, 9325/9318=1 H ASP 84 - HB2 GLU 98 lone 3 58 - 5 - 4.6/1562=3 H GLU 89 - HB2 GLU 98 lone 1 31 - 5 - H GLU 111 - HB2 GLU 98 lone 1 48 - 2 - Peak 7464 from cnoeabs.peaks (8.20, 2.44, 36.55 ppm; 6.20 A): 2 out of 8 assignments used, quality = 0.96: * H LEU 38 + HG2 GLU 37 OK 94 100 - 94 - 205/4.9=43, 4.7/3506=37...(11) H LEU 38 + HG3 GLU 98 OK 36 92 - 39 - 209=9, 4.6/3504=8...(12) H GLU 111 - HG2 GLU 37 OK 25 92 - 27 - 7465/1.8=8, 7463/3.0=5...(8) H ASP 84 - HG2 GLU 37 OK 19 100 - 19 - 7465/1.8=5, 1882/4.9=4...(5) H GLU 89 - HG2 GLU 37 poor 8 65 - 12 - 7465/1.8=2, 1882/4.9=2...(4) H GLU 89 - HG3 GLU 98 lone 5 55 - 10 - ~8220=2 H ASP 84 - HG3 GLU 98 lone 5 91 - 6 - H GLU 111 - HG3 GLU 98 lone 3 80 - 4 - Peak 7465 from cnoeabs.peaks (8.20, 2.73, 36.55 ppm; 5.53 A): 3 out of 4 assignments used, quality = 0.95: * H LEU 38 + HG3 GLU 37 OK 92 100 - 92 - 210=39, 4.6/3510=38...(12) H GLU 111 + HG3 GLU 37 OK 23 92 - 25 - 7463/3.0=5, 7464/1.8=4...(7) H ASP 84 + HG3 GLU 37 OK 14 100 - 14 - 7463/3.0=4, 1882/4.9=4...(4) H GLU 89 - HG3 GLU 37 poor 7 65 - 11 - 4.2/11229=2, 1882/4.9=2...(4) Peak 7466 from cnoeabs.peaks (7.83, 3.91, 59.13 ppm; 4.95 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + HA LEU 38 OK 100 100 - 100 - 3.6=100 Peak 7467 from cnoeabs.peaks (7.83, 2.11, 41.07 ppm; 4.66 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + HB2 LEU 38 OK 100 100 - 100 - 4.6=100 Peak 7468 from cnoeabs.peaks (7.83, 1.46, 41.07 ppm; 4.87 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 39 + HB3 LEU 38 OK 100 100 - 100 - 4.6=100 Peak 7469 from cnoeabs.peaks (7.83, 1.52, 27.18 ppm; 5.19 A): 1 out of 5 assignments used, quality = 0.96: * H LYS 39 + HG LEU 38 OK 96 100 - 96 - 217/2.1=33, 3.0/9376=32...(13) H ILE 97 - HG LEU 38 OK 39 100 - 40 - 7470/2.1=11, 217/2.1=8...(6) H VAL 78 - HG LEU 38 lone 9 100 - 8 - 7470/2.1=4, 1883/5.1=2 HE21 GLN 62 - HG LEU 38 lone 4 65 - 6 - 3.5/10932=2, 3.5/10932=2 H TYR 27 - HG LEU 38 lone 3 73 - 4 - 7470/2.1=1 Peak 7470 from cnoeabs.peaks (7.83, 0.89, 25.56 ppm; 4.24 A): 1 out of 5 assignments used, quality = 0.97: * H LYS 39 + QD2 LEU 38 OK 97 100 - 97 - 4.8=70, 3.0/9380=29...(18) H ILE 97 - QD2 LEU 38 OK 37 100 - 37 - 217/2.1=7, 7469/2.1=7...(8) H VAL 78 - QD2 LEU 38 OK 13 100 - 13 - 4.0/10988=2, 1883/4.4=2...(5) HE21 GLN 62 - QD2 LEU 38 lone 3 65 - 5 - H TYR 27 - QD2 LEU 38 lone 3 73 - 4 - Peak 7472 from cnoeabs.peaks (7.78, 3.84, 59.87 ppm; 3.86 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 40 + HA LYS 39 OK 100 100 - 100 - 3.6=100 Peak 7473 from cnoeabs.peaks (7.78, 1.93, 32.05 ppm; 2.99 A): 4 out of 14 assignments used, quality = 0.84: * H LYS 40 + HB2 LYS 39 OK 64 100 - 64 - 4.3=34, 218/4.0=10...(11) H LYS 40 + HB3 LYS 39 OK 40 63 - 63 - 4.3=34, 218/4.0=10...(11) H LYS 96 + HB2 LYS 39 OK 20 97 - 20 - 1939/4.0=5, 7475/2.9=4...(7) H LYS 96 + HB3 LYS 39 OK 12 58 - 20 - 1939/4.0=5, 7475/2.9=4...(6) H LYS 96 - HB2 LYS 123 lone 3 63 - 5 - 1640/2.9=1 H LYS 40 - HB2 LYS 123 lone 3 69 - 4 - H LYS 40 - HB3 LYS 115 lone 2 95 - 3 - H LYS 40 - HB2 LYS 115 lone 2 87 - 2 - H LYS 40 - HB2 LYS 65 lone 2 79 - 2 - H LYS 40 - HB3 LYS 65 lone 2 79 - 2 - H LYS 96 - HB3 LYS 115 lone 1 89 - 1 - H LYS 96 - HB2 LYS 115 lone 1 82 - 1 - H LYS 96 - HB3 LYS 65 lone 1 73 - 1 - H LYS 96 - HB2 LYS 65 lone 1 73 - 1 - Peak 7474 from cnoeabs.peaks (7.78, 1.95, 32.05 ppm; 3.04 A): 4 out of 12 assignments used, quality = 0.86: * H LYS 40 + HB3 LYS 39 OK 65 100 - 65 - 4.3=36, 218/4.0=10...(13) H LYS 40 + HB2 LYS 39 OK 41 63 - 65 - 4.3=36, 218/4.0=10...(12) H LYS 96 + HB3 LYS 39 OK 21 97 - 22 - 1939/4.0=6, 7475/2.9=4...(7) H LYS 96 + HB2 LYS 39 OK 12 58 - 21 - 1939/4.0=6, 7475/2.9=4...(6) H LYS 96 - HB2 LYS 123 lone 2 33 - 5 - 1640/2.9=1 H LYS 40 - HB2 LYS 123 lone 1 36 - 4 - H LYS 40 - HB3 LYS 115 lone 1 55 - 2 - H LYS 40 - HB2 LYS 65 lone 1 42 - 2 - H LYS 96 - HB3 LYS 115 lone 1 50 - 1 - H LYS 40 - HB3 LYS 65 lone 1 38 - 2 - H LYS 96 - HB2 LYS 65 lone 0 38 - 1 - H LYS 96 - HB3 LYS 65 lone 0 35 - 1 - Peak 7475 from cnoeabs.peaks (7.78, 1.46, 25.42 ppm; 4.90 A): 2 out of 2 assignments used, quality = 0.93: * H LYS 40 + HG2 LYS 39 OK 84 100 - 84 - 7476/1.8=22, 7474/2.9=21...(19) H LYS 96 + HG2 LYS 39 OK 52 97 - 54 - 7476/1.8=14, 1939/4.9=11...(16) Peak 7476 from cnoeabs.peaks (7.78, 1.70, 25.42 ppm; 4.79 A): 3 out of 4 assignments used, quality = 0.91: * H LYS 40 + HG3 LYS 39 OK 79 100 - 79 - 7475/1.8=24, 7474/2.9=21...(17) H LYS 96 + HG3 LYS 39 OK 51 97 - 53 - 7475/1.8=15, 1939/4.9=11...(16) H LYS 96 + HG3 LYS 123 OK 10 63 - 16 - 1640/1.8=3, 2163/4.7=2...(5) H LYS 40 - HG3 LYS 123 poor 7 68 - 11 - 3668/2.9=1 Peak 7477 from cnoeabs.peaks (7.78, 1.71, 29.31 ppm; 4.05 A): 4 out of 8 assignments used, quality = 0.95: * H LYS 40 + HD2 LYS 39 OK 64 100 - 64 - 7474/3.5=15, 7473/3.5=14...(11) H LYS 40 + HD3 LYS 39 OK 64 100 - 64 - 7474/3.5=15, 7473/3.5=14...(11) H LYS 96 + HD3 LYS 44 OK 40 80 - 50 - 1640/2.9=8, 1639/2.9=7...(22) H LYS 96 + HD2 LYS 44 OK 38 77 - 49 - 1640/2.9=8, 1639/2.9=7...(20) H LYS 96 - HD2 LYS 39 OK 35 97 - 36 - 7475/3.0=9, 7476/3.0=8...(10) H LYS 96 - HD3 LYS 39 OK 35 97 - 36 - 7475/3.0=9, 7476/3.0=8...(10) H LYS 40 - HD3 LYS 44 OK 17 86 - 20 - 2040/5.4=3, 6101/2.9=3...(9) H LYS 40 - HD2 LYS 44 OK 16 83 - 20 - 2040/5.4=3, 6101/2.9=3...(9) Peak 7478 from cnoeabs.peaks (7.78, 1.70, 29.31 ppm; 4.05 A): 4 out of 8 assignments used, quality = 0.95: * H LYS 40 + HD3 LYS 39 OK 64 100 - 64 - 7474/3.5=15, 7473/3.5=14...(11) H LYS 40 + HD2 LYS 39 OK 64 100 - 64 - 7474/3.5=15, 7473/3.5=14...(11) H LYS 96 + HD3 LYS 44 OK 41 81 - 50 - 1640/2.9=8, 1639/2.9=7...(22) H LYS 96 + HD2 LYS 44 OK 39 79 - 49 - 1640/2.9=8, 1639/2.9=7...(20) H LYS 96 - HD3 LYS 39 OK 35 97 - 36 - 7475/3.0=9, 7476/3.0=8...(10) H LYS 96 - HD2 LYS 39 OK 35 97 - 36 - 7475/3.0=9, 7476/3.0=8...(10) H LYS 40 - HD3 LYS 44 OK 17 87 - 20 - 2040/5.4=3, 6101/2.9=3...(9) H LYS 40 - HD2 LYS 44 OK 17 85 - 20 - 2040/5.4=3, 6101/2.9=3...(9) Peak 7481 from cnoeabs.peaks (8.72, 4.02, 59.59 ppm; 4.67 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 41 + HA LYS 40 OK 100 100 - 100 - 3.6=100 Peak 7482 from cnoeabs.peaks (8.72, 1.99, 32.40 ppm; 4.24 A): 1 out of 3 assignments used, quality = 0.95: * H GLU 41 + HB2 LYS 40 OK 95 100 - 95 - 4.6=78, 3.6/3650=28...(9) H ASN 50 - HB2 LYS 40 lone 4 100 - 4 - 7483/1.8=1 H ARG 105 - HB2 LYS 40 lone 3 73 - 4 - 1885/4.0=1, 7483/1.8=1 Peak 7483 from cnoeabs.peaks (8.72, 1.95, 32.40 ppm; 4.18 A): 1 out of 18 assignments used, quality = 0.94: * H GLU 41 + HB3 LYS 40 OK 94 100 - 94 - 4.6=75, 230/1.8=39...(12) H ARG 105 - HB3 LYS 115 poor 6 33 - 17 - 10269/3.0=5, 11596/3.7=3...(5) H GLU 41 - HB2 LYS 123 lone 4 74 - 6 - H ASN 50 - HB3 LYS 115 lone 4 53 - 8 - 11181/4.0=3, 11596/3.7=2 H ASN 50 - HB3 LYS 40 lone 4 100 - 4 - 7482/1.8=1 H GLU 41 - HB VAL 29 lone 4 88 - 4 - 1886/3.8=2 H ARG 105 - HB3 LYS 40 lone 4 73 - 5 - 1885/4.0=1, 7482/1.8=1 H ASN 50 - HB2 LYS 65 lone 3 68 - 4 - 11596/3.4=1, 11596/3.4=1 H ASN 50 - HB3 LYS 65 lone 2 64 - 4 - 11596/3.4=1, 11596/3.4=1 H GLU 41 - HB2 LYS 65 lone 2 69 - 3 - H GLU 41 - HB3 LYS 65 lone 2 64 - 3 - H ARG 105 - HB VAL 29 lone 2 58 - 3 - H ARG 105 - HB2 LYS 65 lone 2 43 - 4 - H GLU 41 - HB3 LYS 115 lone 1 54 - 3 - H ARG 105 - HB3 LYS 65 lone 1 40 - 4 - H ARG 105 - HB2 LYS 123 lone 1 47 - 2 - H ASN 50 - HB2 LYS 123 lone 1 73 - 1 - H ASN 50 - HB VAL 29 lone 1 87 - 1 - Peak 7484 from cnoeabs.peaks (8.72, 1.38, 24.98 ppm; 5.24 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 41 + HG2 LYS 40 OK 100 100 - 100 - 5.0=100 Peak 7485 from cnoeabs.peaks (8.72, 1.62, 24.98 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 41 + HG3 LYS 40 OK 100 100 - 100 - 5.0=100 Peak 7486 from cnoeabs.peaks (8.72, 1.68, 29.33 ppm; 5.04 A): 2 out of 12 assignments used, quality = 0.97: * H GLU 41 + HD2 LYS 40 OK 82 100 - 82 - 230/3.6=35, 7483/3.6=25...(11) H GLU 41 + HD3 LYS 40 OK 82 100 - 82 - 230/3.6=35, 7483/3.6=25...(11) H GLU 41 - HD2 LYS 16 OK 36 95 - 38 - 233/2.9=7, 4.6/3700=5...(12) H GLU 41 - HD3 LYS 16 OK 33 89 - 38 - 233/2.9=7, 2043/5.2=5...(12) H ASN 50 - HD2 LYS 40 lone 5 100 - 4 - 7482/3.6=1, 7483/3.6=1 H ASN 50 - HD3 LYS 40 lone 5 100 - 4 - 7482/3.6=1, 7483/3.6=1 H ARG 105 - HD2 LYS 40 lone 3 73 - 4 - 7482/3.6=1, 1885/6.2=1 H ASN 50 - HD2 LYS 16 lone 3 95 - 3 - 11181/6.1=2 H ARG 105 - HD3 LYS 40 lone 3 73 - 4 - 7482/3.6=1, 1885/6.2=1 H ASN 50 - HD3 LYS 16 lone 3 88 - 3 - 11181/6.1=2 H ARG 105 - HD2 LYS 16 lone 1 65 - 1 - H ARG 105 - HD3 LYS 16 lone 1 59 - 1 - Peak 7487 from cnoeabs.peaks (8.72, 1.68, 29.33 ppm; 5.04 A): 2 out of 12 assignments used, quality = 0.97: * H GLU 41 + HD3 LYS 40 OK 82 100 - 82 - 230/3.6=35, 7483/3.6=25...(11) H GLU 41 + HD2 LYS 40 OK 82 100 - 82 - 230/3.6=35, 7483/3.6=25...(11) H GLU 41 - HD2 LYS 16 OK 36 93 - 38 - 233/2.9=7, 4.6/3700=5...(12) H GLU 41 - HD3 LYS 16 OK 32 85 - 37 - 233/2.9=7, 2043/5.2=5...(12) H ASN 50 - HD2 LYS 40 lone 5 100 - 4 - 7482/3.6=1, 7483/3.6=1 H ASN 50 - HD3 LYS 40 lone 5 100 - 4 - 7482/3.6=1, 7483/3.6=1 H ARG 105 - HD3 LYS 40 lone 3 73 - 4 - 7482/3.6=1, 1885/6.2=1 H ARG 105 - HD2 LYS 40 lone 3 73 - 4 - 7482/3.6=1, 1885/6.2=1 H ASN 50 - HD2 LYS 16 lone 3 93 - 3 - 11181/6.1=2 H ASN 50 - HD3 LYS 16 lone 3 85 - 3 - 11181/6.1=2 H ARG 105 - HD2 LYS 16 lone 1 63 - 1 - H ARG 105 - HD3 LYS 16 lone 1 56 - 1 - Peak 7490 from cnoeabs.peaks (8.78, 4.26, 58.07 ppm; 5.28 A): 1 out of 1 assignment used, quality = 1.00: * H MET 42 + HA GLU 41 OK 100 100 - 100 - 3.6=100 Peak 7491 from cnoeabs.peaks (8.78, 1.95, 28.25 ppm; 4.93 A): 2 out of 2 assignments used, quality = 1.00: * H MET 42 + HB2 GLU 41 OK 100 100 - 100 - 4.7=100 H MET 42 + HB3 GLU 41 OK 100 100 - 100 - 4.7=100 Peak 7492 from cnoeabs.peaks (8.78, 1.95, 28.25 ppm; 4.93 A): 2 out of 2 assignments used, quality = 1.00: * H MET 42 + HB3 GLU 41 OK 100 100 - 100 - 4.7=100 H MET 42 + HB2 GLU 41 OK 100 100 - 100 - 4.7=100 Peak 7493 from cnoeabs.peaks (8.78, 2.13, 34.90 ppm; 6.20 A): 1 out of 5 assignments used, quality = 0.77: * H MET 42 + HG2 GLU 41 OK 77 100 - 77 - 238/4.9=40, 243/1.8=31...(7) H ILE 18 - HG2 GLU 41 lone 7 98 - 7 - 1886/4.9=4, ~9188=1 H VAL 29 - HG2 GLU 41 lone 7 100 - 7 - 1886/4.9=3, 1188/3.0=1 H ASN 59 - HG2 GLU 41 lone 2 77 - 3 - H ILE 5 - HG2 GLU 41 lone 2 81 - 3 - Peak 7495 from cnoeabs.peaks (7.50, 4.38, 57.05 ppm; 5.71 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 43 + HA MET 42 OK 100 100 - 100 - 3.6=100 Peak 7496 from cnoeabs.peaks (7.50, 2.19, 31.25 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 43 + HB2 MET 42 OK 100 100 - 100 - 4.6=100 Peak 7501 from cnoeabs.peaks (7.45, 4.09, 59.39 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 44 + HA LYS 43 OK 100 100 - 100 - 3.6=100 Peak 7502 from cnoeabs.peaks (7.45, 1.91, 31.96 ppm; 3.16 A): 4 out of 7 assignments used, quality = 0.99: H LYS 44 + HB3 LYS 44 OK 79 97 - 82 - 4.0=48, 261/4.7=13...(24) H LYS 44 + HB2 LYS 44 OK 77 94 - 82 - 4.0=48, 261/4.7=13...(24) * H LYS 44 + HB2 LYS 43 OK 67 100 - 67 - 4.7=31, 252/3.0=21...(10) H LYS 44 + HB3 LYS 43 OK 65 96 - 68 - 4.7=31, 252/3.0=21...(10) H LYS 44 - HB2 LYS 96 OK 29 90 - 32 - 1287/2.9=6, 1286/2.9=6...(12) H LYS 44 - HB2 LYS 73 lone 4 57 - 7 - 1286/2.9=1 H LYS 44 - HB3 LYS 73 lone 4 52 - 7 - 1286/2.9=1 Peak 7503 from cnoeabs.peaks (7.45, 1.90, 31.96 ppm; 3.19 A): 4 out of 9 assignments used, quality = 0.99: H LYS 44 + HB3 LYS 44 OK 76 92 - 83 - 4.0=49, 261/4.7=13...(24) * H LYS 44 + HB3 LYS 43 OK 68 100 - 68 - 4.7=32, 252/3.0=21...(10) H LYS 44 + HB2 LYS 43 OK 65 96 - 68 - 4.7=32, 252/3.0=21...(10) H LYS 44 + HB2 LYS 44 OK 63 77 - 83 - 4.0=49, 261/4.7=13...(24) H LYS 44 - HB2 LYS 96 OK 31 97 - 32 - 1287/2.9=7, 1286/2.9=6...(13) H LYS 44 - HB2 LYS 73 lone 6 78 - 8 - 1286/2.9=1 H LYS 44 - HB3 LYS 73 lone 6 76 - 8 - 1286/2.9=1 H LYS 44 - HB3 LYS 20 lone 6 78 - 7 - 3.6/3813=2, 252/3.0=1 H LYS 44 - HB2 LYS 20 lone 6 78 - 7 - 3.6/3813=2, 252/3.0=1 Peak 7505 from cnoeabs.peaks (7.45, 1.37, 24.91 ppm; 5.70 A): 3 out of 3 assignments used, quality = 0.92: * H LYS 44 + HG3 LYS 43 OK 85 100 - 85 - 1888/4.9=42, 252/3.9=42...(16) H LYS 44 + HG2 LYS 40 OK 30 84 - 35 - 4.6/1277=10, 256=9...(6) H LYS 44 + HG2 LYS 94 OK 25 84 - 30 - 256=8, 3.6/3815=7...(8) Peak 7510 from cnoeabs.peaks (8.16, 4.06, 59.50 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 45 + HA LYS 44 OK 100 100 - 100 - 3.6=100 Peak 7511 from cnoeabs.peaks (8.16, 1.91, 32.07 ppm; 3.73 A): 3 out of 12 assignments used, quality = 0.97: * H LEU 45 + HB2 LYS 44 OK 80 100 - 80 - 4.7=52, 261/4.0=24...(14) H LEU 45 + HB3 LYS 44 OK 77 97 - 79 - 4.7=52, 261/4.0=24...(13) H LEU 45 + HB2 LYS 43 OK 42 94 - 45 - 261/4.7=19, 11317/4.0=12...(8) H ARG 95 - HB2 LYS 96 OK 41 82 - 49 - 1938/4.1=15, 1630/1.8=13...(11) H LEU 45 - HB3 LYS 43 OK 34 77 - 44 - 261/4.7=19, 11317/4.0=12...(8) H LEU 45 - HB2 LYS 96 OK 26 83 - 32 - 266/2.9=7, 603/4.1=7...(8) H ARG 95 - HB2 LYS 43 OK 19 94 - 21 - 2057/4.0=4, 597/3.0=3...(8) H ARG 95 - HB3 LYS 43 OK 16 76 - 21 - 2057/4.0=4, 597/3.0=3...(8) H ARG 95 - HB2 LYS 44 OK 15 100 - 16 - 1889/4.0=4, 4.6/1637=2...(6) H ARG 95 - HB3 LYS 44 OK 15 97 - 15 - 1889/4.0=4, 4.6/1637=2...(6) H LEU 45 - HB3 LYS 123 lone 5 72 - 7 - 8199/2.9=2, 265/2.9=2 H ARG 95 - HB3 LYS 123 lone 4 72 - 6 - 8199/2.9=2, 593/4.4=1 Peak 7512 from cnoeabs.peaks (8.16, 1.91, 32.07 ppm; 3.73 A): 3 out of 16 assignments used, quality = 0.98: * H LEU 45 + HB3 LYS 44 OK 80 100 - 80 - 4.7=52, 261/4.0=24...(13) H LEU 45 + HB2 LYS 44 OK 78 97 - 80 - 4.7=52, 261/4.0=24...(14) H ARG 95 + HB2 LYS 96 OK 50 97 - 51 - 1938/4.1=15, 1630/1.8=13...(12) H LEU 45 - HB2 LYS 43 OK 44 97 - 45 - 261/4.7=19, 11317/4.0=12...(8) H LEU 45 - HB3 LYS 43 OK 41 92 - 45 - 261/4.7=19, 11317/4.0=12...(8) H LEU 45 - HB2 LYS 96 OK 32 97 - 33 - 266/2.9=7, 603/4.1=7...(8) H ARG 95 - HB2 LYS 43 OK 21 96 - 21 - 2057/4.0=4, 597/3.0=3...(8) H ARG 95 - HB3 LYS 43 OK 20 92 - 21 - 2057/4.0=4, 597/3.0=3...(8) H LEU 45 - HB2 LYS 73 OK 19 75 - 26 - 1295/2.9=4, 265/2.9=3...(10) H LEU 45 - HB3 LYS 73 OK 18 70 - 25 - 1295/2.9=4, 265/2.9=3...(10) H ARG 95 - HB3 LYS 44 OK 17 100 - 17 - 1889/4.0=4, 4.6/1637=2...(6) H ARG 95 - HB2 LYS 44 OK 16 97 - 16 - 1889/4.0=4, 4.6/1637=2...(6) H ARG 95 - HB2 LYS 73 lone 6 75 - 9 - 1631/1.8=1, 1629=1 H ARG 95 - HB3 LYS 73 lone 6 70 - 8 - 1629=1 H LEU 45 - HB3 LYS 123 lone 4 61 - 7 - 8199/2.9=2, 265/2.9=2 H ARG 95 - HB3 LYS 123 lone 4 61 - 6 - 8199/2.9=2, 593/4.4=1 Peak 7513 from cnoeabs.peaks (8.16, 1.58, 24.91 ppm; 5.83 A): 3 out of 6 assignments used, quality = 0.95: * H LEU 45 + HG2 LYS 44 OK 84 100 - 84 - 261/4.9=41, 266/1.8=23...(14) H ARG 95 + HG3 LYS 96 OK 49 73 - 67 - 1938/5.1=26, 1630/2.9=14...(13) H LEU 45 + HG3 LYS 96 OK 44 73 - 60 - 266/1.8=15, 265=12...(14) H ARG 95 - HG2 LYS 44 OK 26 100 - 26 - 4.6/1640=9, 1889/4.9=6...(6) H LEU 45 - HG2 LYS 73 OK 24 57 - 42 - 11318/4.9=8, 265=8...(15) H ARG 95 - HG2 LYS 73 poor 7 57 - 12 - 1632/3.0=1, 1632/3.0=1...(5) Peak 7514 from cnoeabs.peaks (8.16, 1.44, 24.91 ppm; 6.20 A): 3 out of 4 assignments used, quality = 0.98: * H LEU 45 + HG3 LYS 44 OK 85 100 - 85 - 261/4.9=44, 266=23...(12) H ARG 95 + HG2 LYS 96 OK 69 100 - 70 - 1938/5.1=28, 8197/4.0=15...(16) H LEU 45 + HG2 LYS 96 OK 66 100 - 66 - 4.6/3940=15, 266=15...(14) H ARG 95 - HG3 LYS 44 OK 30 100 - 30 - 4.6/1639=11, 1889/4.9=7...(6) Peak 7519 from cnoeabs.peaks (7.64, 4.15, 57.19 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 46 + HA LEU 45 OK 100 100 - 100 - 3.6=100 Peak 7520 from cnoeabs.peaks (7.64, 1.90, 41.77 ppm; 4.40 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 46 + HB2 LEU 45 OK 100 100 - 100 - 4.3=100 Peak 7521 from cnoeabs.peaks (7.64, 1.49, 41.77 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 46 + HB3 LEU 45 OK 100 100 - 100 - 4.3=100 Peak 7522 from cnoeabs.peaks (7.64, 1.88, 26.77 ppm; 5.18 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 46 + HG LEU 45 OK 100 100 - 100 - 4.9=100 Peak 7523 from cnoeabs.peaks (7.64, 0.75, 25.49 ppm; 4.49 A): 4 out of 16 assignments used, quality = 0.91: * H ALA 46 + QD1 LEU 45 OK 84 100 - 84 - 3.6/3995=32, 4.3/4021=27...(9) H LEU 64 + QD1 LEU 63 OK 27 28 - 95 - 4.8=81, 384/4.7=20...(12) H GLU 69 + QD1 LEU 45 OK 15 92 - 16 - 1890/4.7=4, 276=4...(5) H LEU 64 + QD1 LEU 45 OK 13 90 - 14 - 7524/2.1=3, 390=2...(6) H GLU 69 - QD1 LEU 63 poor 6 29 - 20 - 7614/2.1=4, 276=4...(7) H ALA 46 - QD1 LEU 63 poor 5 36 - 15 - 276=3, 4.6/1297=3...(4) HD21 ASN 50 - QD1 LEU 63 poor 4 35 - 11 - ~9678=4, 7612/3.1=2...(5) HE21 GLN 85 - QD1 LEU 63 poor 3 25 - 11 - 1906/4.7=2, 3.5/11407=2...(6) HD21 ASN 10 - QD1 LEU 45 lone 2 99 - 2 - HE21 GLN 85 - QD1 LEU 45 lone 2 84 - 2 - HD21 ASN 50 - QD1 LEU 45 lone 2 99 - 2 - H GLN 100 - QD1 LEU 45 lone 2 81 - 2 - H LYS 115 - QD1 LEU 45 lone 1 57 - 2 - H LYS 115 - QD1 LEU 63 lone 1 16 - 5 - H GLN 100 - QD1 LEU 63 lone 1 24 - 3 - HD21 ASN 10 - QD1 LEU 63 lone 1 35 - 2 - Peak 7524 from cnoeabs.peaks (7.64, 0.72, 23.70 ppm; 5.96 A): 3 out of 8 assignments used, quality = 0.94: * H ALA 46 + QD2 LEU 45 OK 90 100 - 90 - 3.6/3996=40, 4.6/1298=33...(10) H GLU 69 + QD2 LEU 45 OK 20 92 - 21 - 1890/4.7=6, 7523/2.1=4...(6) H LEU 64 + QD2 LEU 45 OK 18 90 - 20 - 7523/2.1=4, 1890/4.7=3...(9) HD21 ASN 10 - QD2 LEU 45 lone 3 99 - 3 - HD21 ASN 50 - QD2 LEU 45 lone 3 99 - 3 - HE21 GLN 85 - QD2 LEU 45 lone 3 84 - 3 - H GLN 100 - QD2 LEU 45 lone 3 81 - 3 - H LYS 115 - QD2 LEU 45 lone 2 57 - 3 - Peak 7525 from cnoeabs.peaks (7.71, 4.25, 53.67 ppm; 4.65 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 47 + HA ALA 46 OK 100 100 - 100 - 3.6=100 Peak 7526 from cnoeabs.peaks (7.71, 1.55, 18.88 ppm; 3.52 A): 1 out of 3 assignments used, quality = 0.93: * H GLU 47 + QB ALA 46 OK 93 100 - 93 - 3.7=89, 278/2.9=20...(5) H LEU 70 - QB ALA 46 lone 8 99 - 8 - 428/2.9=2, 4.6/9459=2 H LYS 73 - QB ALA 46 lone 5 92 - 5 - 1891/2.9=2, 9795/9461=1 Peak 7527 from cnoeabs.peaks (7.75, 4.25, 56.93 ppm; 3.70 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 48 + HA GLU 47 OK 100 100 - 100 - 3.6=100 Peak 7528 from cnoeabs.peaks (7.75, 2.06, 30.42 ppm; 4.27 A): 1 out of 4 assignments used, quality = 0.91: * H GLU 48 + HB2 GLU 47 OK 91 100 - 91 - 4.6=78, 7529/1.8=37, 1892/4.0=34 H LEU 114 - HB2 GLU 47 lone 10 99 - 9 - 7529/1.8=3, 10444=3...(4) H LEU 114 - HB2 GLN 28 lone 2 92 - 2 - H GLU 48 - HB2 GLN 28 lone 1 95 - 1 - Peak 7529 from cnoeabs.peaks (7.75, 2.11, 30.42 ppm; 4.14 A): 1 out of 2 assignments used, quality = 0.87: * H GLU 48 + HB3 GLU 47 OK 87 100 - 87 - 4.6=71, 1892/4.0=33, 7528/1.8=32 H LEU 114 - HB3 GLU 47 lone 7 99 - 7 - 7528/1.8=3, 1892/4.0=1 Peak 7532 from cnoeabs.peaks (8.61, 4.37, 56.02 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 49 + HA GLU 48 OK 100 100 - 100 - 3.6=100 Peak 7537 from cnoeabs.peaks (8.72, 4.32, 56.52 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 50 + HA LYS 49 OK 100 100 - 100 - 3.6=100 Peak 7538 from cnoeabs.peaks (8.72, 1.90, 32.46 ppm; 4.56 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 50 + HB2 LYS 49 OK 100 100 - 100 - 4.4=100 Peak 7540 from cnoeabs.peaks (8.72, 1.46, 24.65 ppm; 6.20 A): 2 out of 6 assignments used, quality = 0.87: * H ASN 50 + HG2 LYS 49 OK 64 100 - 64 - 3.6/4139=24, 4.4/4130=21...(5) H ASN 50 + HG3 LYS 49 OK 64 100 - 64 - 3.6/4139=24, 4.4/4130=21...(5) H GLU 41 - HG2 LYS 49 lone 3 100 - 3 - H GLU 41 - HG3 LYS 49 lone 3 100 - 3 - H ARG 105 - HG3 LYS 49 lone 2 65 - 3 - H ARG 105 - HG2 LYS 49 lone 2 65 - 3 - Peak 7541 from cnoeabs.peaks (8.72, 1.46, 24.65 ppm; 6.20 A): 2 out of 6 assignments used, quality = 0.87: H ASN 50 + HG2 LYS 49 OK 64 100 - 64 - 3.6/4139=24, 4.4/4130=21...(5) * H ASN 50 + HG3 LYS 49 OK 64 100 - 64 - 3.6/4139=24, 4.4/4130=21...(5) H GLU 41 - HG2 LYS 49 lone 3 100 - 3 - H GLU 41 - HG3 LYS 49 lone 3 100 - 3 - H ARG 105 - HG3 LYS 49 lone 2 65 - 3 - H ARG 105 - HG2 LYS 49 lone 2 65 - 3 - Peak 7546 from cnoeabs.peaks (8.34, 4.62, 53.55 ppm; 3.62 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 51 + HA ASN 50 OK 100 100 - 100 - 3.6=100 Peak 7547 from cnoeabs.peaks (8.34, 2.71, 39.04 ppm; 4.80 A): 2 out of 2 assignments used, quality = 1.00: * H PHE 51 + HB2 ASN 50 OK 100 100 - 100 - 4.6=100 H PHE 51 + HB3 ASN 50 OK 100 100 - 100 - 4.6=100 Peak 7548 from cnoeabs.peaks (8.34, 2.71, 39.04 ppm; 4.80 A): 2 out of 2 assignments used, quality = 1.00: * H PHE 51 + HB3 ASN 50 OK 100 100 - 100 - 4.6=100 H PHE 51 + HB2 ASN 50 OK 100 100 - 100 - 4.6=100 Peak 7549 from cnoeabs.peaks (7.96, 4.26, 56.25 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 53 + HA GLU 52 OK 100 100 - 100 - 3.6=100 Peak 7550 from cnoeabs.peaks (7.96, 1.66, 33.46 ppm; 6.14 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 53 + HB2 GLU 52 OK 100 100 - 100 - 4.7=100 Peak 7551 from cnoeabs.peaks (7.96, 1.95, 33.46 ppm; 5.71 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 53 + HB3 GLU 52 OK 100 100 - 100 - 4.7=100 Peak 7554 from cnoeabs.peaks (8.80, 4.69, 55.36 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 54 + HA LYS 53 OK 100 100 - 100 - 3.6=100 Peak 7564 from cnoeabs.peaks (9.10, 1.68, 41.95 ppm; 5.60 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 55 + HB ILE 54 OK 100 100 - 100 - 4.4=100 Peak 7565 from cnoeabs.peaks (9.10, 0.75, 17.84 ppm; 3.70 A): 1 out of 1 assignment used, quality = 0.82: * H LEU 55 + QG2 ILE 54 OK 82 100 - 82 - 4.4=60, 325/3.2=24...(8) Peak 7568 from cnoeabs.peaks (9.10, 0.64, 13.41 ppm; 5.04 A): 2 out of 2 assignments used, quality = 0.94: * H LEU 55 + QD1 ILE 54 OK 87 100 - 87 - 7565/3.1=43, 325/4.2=30...(11) H LEU 55 + QD1 ILE 5 OK 54 78 - 69 - ~9058=20, ~9059=17...(15) Peak 7569 from cnoeabs.peaks (9.18, 5.64, 53.50 ppm; 3.50 A): 1 out of 1 assignment used, quality = 0.98: * H ILE 56 + HA LEU 55 OK 98 100 - 98 - 3.6=94, 1898/3.0=20...(11) Peak 7570 from cnoeabs.peaks (9.18, 1.76, 45.20 ppm; 5.42 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 56 + HB2 LEU 55 OK 100 100 - 100 - 4.6=100 Peak 7571 from cnoeabs.peaks (9.18, 1.32, 45.20 ppm; 5.13 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 56 + HB3 LEU 55 OK 100 100 - 100 - 4.6=100 Peak 7573 from cnoeabs.peaks (9.18, 0.68, 26.27 ppm; 4.49 A): 1 out of 2 assignments used, quality = 0.99: * H ILE 56 + QD1 LEU 55 OK 99 100 - 99 - 4.6=92, 335/2.1=36...(11) H ILE 56 - QD2 LEU 4 OK 14 55 - 25 - 336=4, 1368/2.1=4...(7) Peak 7574 from cnoeabs.peaks (9.18, 0.74, 26.63 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 56 + QD2 LEU 55 OK 100 100 - 100 - 4.6=98, 335/2.1=37...(15) Peak 7575 from cnoeabs.peaks (8.54, 5.06, 59.11 ppm; 3.34 A): 2 out of 4 assignments used, quality = 0.93: * H ILE 57 + HA ILE 56 OK 93 100 - 93 - 3.6=82, 7577/3.2=16...(11) H LYS 19 + HA ILE 56 OK 12 94 - 13 - 7577/3.2=3, 7578/4.0=2...(6) H VAL 107 - HA ILE 56 lone 5 81 - 6 - 7580/4.2=2, 7577/3.2=1...(4) H ASN 88 - HA ILE 56 lone 2 81 - 3 - Peak 7577 from cnoeabs.peaks (8.54, 0.69, 17.09 ppm; 3.77 A): 2 out of 4 assignments used, quality = 0.91: * H ILE 57 + QG2 ILE 56 OK 90 100 - 90 - 4.4=64, 339/3.2=27...(12) H LYS 19 + QG2 ILE 56 OK 16 94 - 17 - 7575/3.2=3, 7578/3.2=3...(6) H VAL 107 - QG2 ILE 56 lone 7 81 - 9 - 7580/2.9=3, 7578/3.2=2...(4) H ASN 88 - QG2 ILE 56 lone 3 81 - 4 - Peak 7578 from cnoeabs.peaks (8.54, 1.43, 27.65 ppm; 5.28 A): 3 out of 4 assignments used, quality = 0.94: * H ILE 57 + HG12 ILE 56 OK 90 100 - 90 - 343/1.8=43, 344/2.1=39...(7) H LYS 19 + HG12 ILE 56 OK 25 94 - 27 - 7579/1.8=7, 7580/2.1=7...(5) H VAL 107 + HG12 ILE 56 OK 17 81 - 20 - 7580/2.1=6, 7579/1.8=4...(6) H ASN 88 - HG12 ILE 56 lone 6 81 - 7 - 7579/1.8=2, 7580/2.1=2 Peak 7579 from cnoeabs.peaks (8.54, 0.96, 27.65 ppm; 5.28 A): 3 out of 4 assignments used, quality = 0.94: * H ILE 57 + HG13 ILE 56 OK 91 100 - 91 - 343=46, 344/2.1=39...(6) H LYS 19 + HG13 ILE 56 OK 23 94 - 25 - 7578/1.8=7, 7580/2.1=7...(4) H VAL 107 + HG13 ILE 56 OK 14 81 - 18 - 7580/2.1=6, 7578/1.8=5...(5) H ASN 88 - HG13 ILE 56 lone 5 81 - 6 - 7578/1.8=2, 7580/2.1=2 Peak 7580 from cnoeabs.peaks (8.54, 0.66, 12.57 ppm; 5.32 A): 1 out of 4 assignments used, quality = 0.96: * H ILE 57 + QD1 ILE 56 OK 96 100 - 96 - 343/2.1=42, 344=39...(10) H LYS 19 - QD1 ILE 56 OK 27 94 - 29 - 7578/2.1=7, 7579/2.1=7...(6) H VAL 107 - QD1 ILE 56 OK 23 81 - 28 - 4.0/9548=6, 7578/2.1=5...(8) H ASN 88 - QD1 ILE 56 lone 6 81 - 7 - 7578/2.1=2, 7579/2.1=2 Peak 7581 from cnoeabs.peaks (8.81, 4.91, 59.26 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * H SER 58 + HA ILE 57 OK 100 100 - 100 - 3.6=100 Peak 7582 from cnoeabs.peaks (8.81, 1.82, 38.95 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H SER 58 + HB ILE 57 OK 100 100 - 100 - 4.4=100 Peak 7583 from cnoeabs.peaks (8.81, 0.84, 17.77 ppm; 3.63 A): 3 out of 5 assignments used, quality = 0.92: * H SER 58 + QG2 ILE 57 OK 87 100 - 87 - 4.4=58, 346/3.2=28...(13) H ASN 59 + QG2 ILE 57 OK 30 73 - 40 - 4.6/348=12, 4.5/11686=11...(8) H LYS 106 + QG2 ILE 57 OK 13 100 - 13 - 1704/3.2=3, 671/2.1=3...(5) H PHE 120 - QG2 ILE 57 lone 7 73 - 9 - 4.0/11687=3, 7586/3.0=1 H ILE 54 - QG2 ILE 57 lone 5 98 - 5 - 7584/3.2=1, 10802/2.1=1 Peak 7584 from cnoeabs.peaks (8.81, 1.46, 27.65 ppm; 4.84 A): 4 out of 5 assignments used, quality = 0.94: * H SER 58 + HG12 ILE 57 OK 87 100 - 87 - 346/4.2=34, 349=29...(9) H LYS 106 + HG12 ILE 57 OK 29 100 - 29 - 1704=8, 7586/2.1=6...(8) H ASN 59 + HG12 ILE 57 OK 25 73 - 35 - 4.6/349=14, 9612/3.2=13...(4) H ILE 54 + HG12 ILE 57 OK 11 98 - 11 - 7586/2.1=2, 11327=2...(5) H PHE 120 - HG12 ILE 57 lone 5 73 - 7 - 7586/2.1=2, 7583/3.2=2 Peak 7585 from cnoeabs.peaks (8.81, 0.86, 27.65 ppm; 6.20 A): 2 out of 10 assignments used, quality = 0.95: * H SER 58 + HG13 ILE 57 OK 92 100 - 92 - 346/4.2=44, 348/3.2=31...(10) H LYS 106 + HG13 ILE 57 OK 33 100 - 33 - 7584/1.8=9, 7586/2.1=7...(7) H ASN 59 - HG13 ILE 57 OK 33 73 - 44 - 9612/3.2=19, 7586/2.1=10...(7) H PHE 120 - HG13 ILE 5 OK 19 43 - 46 - 10553/2.1=9, 4.5/4707=8...(9) H ILE 54 - HG13 ILE 5 OK 18 64 - 29 - 10802/1.8=9, 4404/2.1=8...(7) H ILE 54 - HG13 ILE 57 OK 14 98 - 14 - 7584/1.8=3, 7586/2.1=3...(4) H PHE 120 - HG13 ILE 57 OK 10 73 - 14 - 7586/2.1=3, 7583/3.2=2...(6) H SER 58 - HG13 ILE 5 lone 6 68 - 9 - ~9607=1, 348/3.2=1 H ASN 59 - HG13 ILE 5 lone 4 43 - 10 - 9612/3.2=2, 5.4/9620=1...(5) H LYS 106 - HG13 ILE 5 lone 3 67 - 4 - Peak 7586 from cnoeabs.peaks (8.81, 0.71, 13.94 ppm; 4.62 A): 3 out of 5 assignments used, quality = 0.91: * H SER 58 + QD1 ILE 57 OK 84 100 - 84 - 346/4.2=32, 348/3.0=27...(11) H ASN 59 + QD1 ILE 57 OK 30 73 - 40 - 9612/3.0=12, 4.6/351=11...(7) H LYS 106 + QD1 ILE 57 OK 21 100 - 21 - 7584/2.1=6, 7583/3.0=4...(7) H PHE 120 - QD1 ILE 57 poor 9 73 - 12 - 4.0/9559=5, 7583/3.0=2 H ILE 54 - QD1 ILE 57 lone 9 98 - 9 - 7584/2.1=2, 10802/3.2=2...(5) Peak 7587 from cnoeabs.peaks (8.79, 5.01, 56.73 ppm; 3.36 A): 1 out of 1 assignment used, quality = 0.73: H SER 58 + HA SER 58 OK 73 73 - 100 - 3.0=100 Reference assignment not found: H ASN 59 - HA SER 58 Peak 7588 from cnoeabs.peaks (8.79, 3.78, 66.61 ppm; 4.27 A): 1 out of 1 assignment used, quality = 0.73: H SER 58 + HB2 SER 58 OK 73 73 - 100 - 4.0=100 Reference assignment not found: H ASN 59 - HB2 SER 58 Peak 7589 from cnoeabs.peaks (8.79, 3.42, 66.61 ppm; 4.36 A): 1 out of 1 assignment used, quality = 0.73: H SER 58 + HB3 SER 58 OK 73 73 - 100 - 4.0=100 Reference assignment not found: H ASN 59 - HB3 SER 58 Peak 7593 from cnoeabs.peaks (8.90, 4.86, 53.10 ppm; 3.61 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 61 + HA ASP 60 OK 100 100 - 100 - 3.6=100 Peak 7595 from cnoeabs.peaks (8.90, 2.57, 42.95 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 61 + HB3 ASP 60 OK 100 100 - 100 - 4.3=100 Peak 7596 from cnoeabs.peaks (8.43, 3.72, 59.63 ppm; 5.02 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 62 + HA LYS 61 OK 100 100 - 100 - 3.6=100 Peak 7597 from cnoeabs.peaks (8.43, 1.52, 31.52 ppm; 5.82 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 62 + HB2 LYS 61 OK 100 100 - 100 - 4.6=100 Peak 7598 from cnoeabs.peaks (8.43, 1.43, 31.52 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 62 + HB3 LYS 61 OK 100 100 - 100 - 4.6=100 Peak 7599 from cnoeabs.peaks (8.43, 1.03, 24.91 ppm; 6.20 A): 1 out of 5 assignments used, quality = 0.89: * H GLN 62 + HG2 LYS 61 OK 89 100 - 89 - 370=44, 366/4.8=42...(5) H GLN 83 - HG2 LYS 61 lone 3 100 - 3 - H VAL 32 - HG2 LYS 61 lone 2 97 - 2 - H ILE 3 - HG2 LYS 61 lone 2 92 - 2 - H ASN 10 - HG2 LYS 61 lone 2 98 - 2 - Peak 7605 from cnoeabs.peaks (7.67, 4.11, 58.30 ppm; 3.91 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 63 + HA GLN 62 OK 100 100 - 100 - 3.6=100 Peak 7606 from cnoeabs.peaks (7.67, 2.17, 27.45 ppm; 4.26 A): 2 out of 6 assignments used, quality = 1.00: * H LEU 63 + HB2 GLN 62 OK 94 100 - 94 - 4.6=77, 377/3.0=34...(10) H LEU 63 + HB3 GLN 62 OK 94 100 - 94 - 4.6=77, 377/3.0=34...(10) H GLU 21 - HB2 GLN 62 lone 6 98 - 6 - 1905/4.0=2, 120/3.0=1 H GLU 21 - HB3 GLN 62 lone 6 98 - 6 - 1905/4.0=2, 120/3.0=1 HE ARG 118 - HB3 GLN 62 lone 3 99 - 3 - 1905/4.0=2 HE ARG 118 - HB2 GLN 62 lone 3 99 - 3 - 1905/4.0=2 Peak 7607 from cnoeabs.peaks (7.67, 2.17, 27.45 ppm; 4.26 A): 2 out of 6 assignments used, quality = 1.00: H LEU 63 + HB2 GLN 62 OK 94 100 - 94 - 4.6=77, 377/3.0=34...(10) * H LEU 63 + HB3 GLN 62 OK 94 100 - 94 - 4.6=77, 377/3.0=34...(10) H GLU 21 - HB2 GLN 62 lone 6 98 - 6 - 1905/4.0=2, 120/3.0=1 H GLU 21 - HB3 GLN 62 lone 6 98 - 6 - 1905/4.0=2, 120/3.0=1 HE ARG 118 - HB3 GLN 62 lone 3 99 - 3 - 1905/4.0=2 HE ARG 118 - HB2 GLN 62 lone 3 99 - 3 - 1905/4.0=2 Peak 7608 from cnoeabs.peaks (7.67, 2.41, 33.72 ppm; 4.21 A): 3 out of 15 assignments used, quality = 0.94: * H LEU 63 + HG2 GLN 62 OK 70 100 - 70 - 377/3.9=27, 1905/5.2=20...(11) H LEU 63 + HG3 GLN 62 OK 70 100 - 70 - 377/3.9=27, 1905/5.2=20...(11) H LEU 63 + HG2 GLN 85 OK 30 96 - 32 - 380=4, 381/1.8=4...(12) H LEU 63 - HG3 GLN 85 OK 28 90 - 31 - 381=4, 381/1.8=4...(13) HE ARG 118 - HG2 GLN 122 OK 16 71 - 22 - 11170/3.5=22 H GLU 21 - HG2 GLN 62 lone 5 98 - 5 - 1905/5.2=2, 120/3.9=1 H GLU 21 - HG3 GLN 62 lone 5 98 - 5 - 1905/5.2=2, 120/3.9=1 HE ARG 118 - HG3 GLN 62 lone 3 99 - 3 - 1905/5.2=1 HE ARG 118 - HG2 GLN 62 lone 3 99 - 3 - 1905/5.2=1 H LEU 63 - HG2 GLN 122 lone 2 74 - 3 - H GLU 21 - HG2 GLN 85 lone 1 92 - 1 - H GLU 21 - HG3 GLN 85 lone 1 86 - 1 - HE ARG 118 - HG2 GLN 85 lone 1 93 - 1 - HE ARG 118 - HG3 GLN 85 lone 1 87 - 1 - H GLU 21 - HG2 GLN 122 lone 1 69 - 1 - Peak 7609 from cnoeabs.peaks (7.67, 2.41, 33.72 ppm; 4.21 A): 3 out of 15 assignments used, quality = 0.94: * H LEU 63 + HG3 GLN 62 OK 70 100 - 70 - 377/3.9=27, 1905/5.2=20...(11) H LEU 63 + HG2 GLN 62 OK 70 100 - 70 - 377/3.9=27, 1905/5.2=20...(11) H LEU 63 + HG2 GLN 85 OK 31 97 - 32 - 381=4, 381/1.8=4...(13) H LEU 63 - HG3 GLN 85 OK 30 93 - 32 - 381=4, 381/1.8=4...(13) HE ARG 118 - HG2 GLN 122 OK 16 73 - 22 - 11170/3.5=22 H GLU 21 - HG3 GLN 62 lone 5 98 - 5 - 1905/5.2=2, 120/3.9=1 H GLU 21 - HG2 GLN 62 lone 5 98 - 5 - 1905/5.2=2, 120/3.9=1 HE ARG 118 - HG3 GLN 62 lone 3 99 - 3 - 1905/5.2=1 HE ARG 118 - HG2 GLN 62 lone 3 99 - 3 - 1905/5.2=1 H LEU 63 - HG2 GLN 122 lone 2 76 - 3 - H GLU 21 - HG2 GLN 85 lone 1 94 - 1 - H GLU 21 - HG3 GLN 85 lone 1 89 - 1 - HE ARG 118 - HG2 GLN 85 lone 1 95 - 1 - HE ARG 118 - HG3 GLN 85 lone 1 91 - 1 - H GLU 21 - HG2 GLN 122 lone 1 72 - 1 - Peak 7610 from cnoeabs.peaks (7.63, 4.13, 56.64 ppm; 4.65 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 64 + HA LEU 63 OK 100 100 - 100 - 3.6=100 Peak 7611 from cnoeabs.peaks (7.63, 1.87, 40.89 ppm; 4.66 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 64 + HB2 LEU 63 OK 100 100 - 100 - 4.6=100 Peak 7612 from cnoeabs.peaks (7.63, 1.43, 40.89 ppm; 4.17 A): 2 out of 10 assignments used, quality = 0.95: * H LEU 64 + HB3 LEU 63 OK 92 100 - 92 - 4.6=73, 384/4.0=25...(12) H ASP 34 + HB3 LEU 63 OK 34 92 - 38 - 9320/3.1=12, ~11262=8...(6) H GLU 69 - HB3 LEU 63 OK 13 100 - 13 - 7614/3.1=4, 7615/3.1=2 HD21 ASN 50 - HB3 LEU 63 OK 13 97 - 13 - ~11047=3, ~9678=2...(7) HE21 GLN 85 - HB3 LEU 63 OK 11 100 - 11 - 1906/4.0=3, 7614/3.1=2, ~11046=1 H ALA 46 - HB3 LEU 63 lone 7 90 - 7 - 276/3.1=2, 4.6/266=2, 7614/3.1=1 H LYS 115 - HB3 LEU 63 lone 6 94 - 6 - 4.6/10479=2, 1906/4.0=1 H GLN 100 - HB3 LEU 63 lone 2 100 - 2 - HD21 ASN 10 - HB3 LEU 63 lone 1 77 - 1 - H LEU 74 - HB3 LEU 63 lone 1 70 - 1 - Peak 7614 from cnoeabs.peaks (7.63, 0.71, 22.93 ppm; 4.29 A): 2 out of 10 assignments used, quality = 0.98: * H LEU 64 + QD2 LEU 63 OK 95 100 - 95 - 4.8=71, 3.6/4738=30...(16) H ASP 34 + QD2 LEU 63 OK 58 92 - 63 - 3.0/11262=19...(10) H GLU 69 - QD2 LEU 63 OK 29 100 - 29 - 3.6/11547=7, 4.9/9766=5...(9) HE21 GLN 85 - QD2 LEU 63 OK 12 100 - 12 - 1906/4.7=2, 7612/3.1=2...(6) HD21 ASN 50 - QD2 LEU 63 OK 12 97 - 12 - ~9678=3, 7612/3.1=2...(6) H ALA 46 - QD2 LEU 63 poor 10 90 - 11 - 3.6/4738=2, 276/2.1=2...(5) H LYS 115 - QD2 LEU 63 lone 5 94 - 5 - 7612/3.1=1 H GLN 100 - QD2 LEU 63 lone 3 100 - 3 - HD21 ASN 10 - QD2 LEU 63 lone 2 77 - 3 - 4.4/11255=2 H LEU 74 - QD2 LEU 63 lone 1 70 - 2 - Peak 7615 from cnoeabs.peaks (7.63, 0.74, 25.21 ppm; 4.03 A): 2 out of 30 assignments used, quality = 0.96: * H LEU 64 + QD1 LEU 63 OK 90 100 - 90 - 4.8=58, 3.6/4715=22...(15) H ASP 34 + QD1 LEU 63 OK 62 92 - 68 - 3.6/11256=19, 9320=15...(14) H LEU 64 - QD2 LEU 6 OK 26 84 - 31 - 390=9, 389/2.1=4...(9) H GLU 69 - QD1 LEU 63 OK 23 100 - 23 - 4.9/11343=4, 7614/2.1=4...(8) H ASP 34 - QD2 LEU 6 OK 19 72 - 27 - 3.0/9324=6, 4.0/11349=5...(8) H ALA 46 - QD1 LEU 45 OK 19 28 - 67 - 3.6/3995=21, 274/3.1=18...(9) H GLU 69 - QD2 LEU 6 OK 18 84 - 21 - 4.9/9767=10, 277/2.1=4...(4) HD21 ASN 50 - QD1 LEU 63 OK 14 97 - 14 - ~9678=3, 3.5/9685=3...(7) HE21 GLN 85 - QD1 LEU 63 OK 10 100 - 10 - 1906/4.7=2, 7614/2.1=2...(6) H ALA 46 - QD1 LEU 63 poor 9 90 - 10 - 276=2, 4.6/1297=2...(5) H LYS 115 - QD1 LEU 63 lone 6 94 - 6 - 3.6/11626=1 H LEU 64 - QD1 LEU 45 poor 5 36 - 13 - 390=3, 386/2.1=2...(6) H GLU 69 - QD1 LEU 45 poor 4 36 - 11 - 1890/4.7=3, 276=2...(4) H GLN 100 - QD1 LEU 63 lone 3 100 - 3 - H ASP 34 - QD1 LEU 45 lone 3 29 - 8 - 9320=2, 3.6/9308=1 H LYS 115 - QD2 LEU 6 lone 2 74 - 3 - HD21 ASN 10 - QD1 LEU 63 lone 2 77 - 3 - 4.4/11256=2 HE21 GLN 85 - QD2 LEU 6 lone 2 83 - 3 - H ALA 46 - QD2 LEU 6 lone 2 69 - 2 - H GLN 100 - QD2 LEU 6 lone 1 83 - 2 - H LEU 74 - QD1 LEU 63 lone 1 70 - 2 - HD21 ASN 50 - QD2 LEU 6 lone 1 78 - 1 - HD21 ASN 10 - QD2 LEU 6 lone 1 58 - 1 - HE21 GLN 85 - QD1 LEU 45 lone 1 35 - 1 - H LEU 74 - QD2 LEU 6 lone 0 51 - 1 - H LEU 74 - QD1 LEU 45 lone 1 20 - 3 - H GLN 100 - QD1 LEU 45 lone 0 35 - 1 - H LYS 115 - QD1 LEU 45 lone 0 30 - 1 - HD21 ASN 50 - QD1 LEU 45 lone 0 32 - 1 - HD21 ASN 10 - QD1 LEU 45 lone 0 23 - 1 - Peak 7616 from cnoeabs.peaks (8.04, 3.91, 57.78 ppm; 4.96 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 65 + HA LEU 64 OK 100 100 - 100 - 3.6=100 Peak 7617 from cnoeabs.peaks (8.04, 1.79, 41.35 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 65 + HB2 LEU 64 OK 100 100 - 100 - 4.2=100 Peak 7618 from cnoeabs.peaks (8.04, 1.63, 41.35 ppm; 4.88 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 65 + HB3 LEU 64 OK 100 100 - 100 - 4.2=100 Peak 7619 from cnoeabs.peaks (8.04, 1.64, 26.77 ppm; 4.20 A): 2 out of 27 assignments used, quality = 0.94: H LEU 90 + HG LEU 90 OK 87 92 - 95 - 5.3=51, 1595/2.1=29...(10) * H LYS 65 + HG LEU 64 OK 57 100 - 57 - 397/2.1=13, 393/3.0=13...(9) H LYS 65 - HG LEU 114 OK 21 87 - 24 - 2088/3.7=5, ~8127=4...(8) H ARG 118 - HG LEU 64 OK 16 87 - 18 - 1907/5.2=3, 4.3/10511=3...(9) H ARG 118 - HG LEU 114 OK 14 70 - 20 - 2212/3.7=9, 1775/3.0=3...(6) H LYS 65 - HG LEU 90 OK 14 99 - 14 - 5803/2.1=3, 5810/2.1=3...(4) H THR 9 - HG LEU 64 OK 14 98 - 14 - 396/2.1=5, 397/2.1=3...(5) H ASP 109 - HG LEU 90 OK 13 99 - 13 - 10354/2.1=5, 5803/2.1=3...(4) H LEU 90 - HG LEU 64 OK 12 94 - 13 - 1594=3, 1592/3.0=2...(6) H GLN 122 - HG LEU 90 lone 6 71 - 9 - 5810/2.1=3, 5803/2.1=2...(4) H THR 9 - HG LEU 90 lone 5 97 - 5 - 5803/2.1=1, 5782/3.0=1 H SER 72 - HG LEU 64 lone 4 77 - 5 - 444/2.1=1 H THR 9 - HG LEU 114 lone 3 83 - 4 - 396/2.1=2 H SER 72 - HG LEU 114 lone 3 61 - 5 - 447/2.1=1, 444/2.1=1 H ARG 118 - HG LEU 90 lone 3 85 - 3 - H ASP 109 - HG LEU 64 lone 2 100 - 2 - H LEU 90 - HG LEU 114 lone 2 77 - 3 - H VAL 22 - HG LEU 90 lone 2 99 - 2 - H ASP 109 - HG LEU 114 lone 2 86 - 2 - H VAL 22 - HG LEU 64 lone 2 100 - 2 - H VAL 22 - HG LEU 114 lone 1 87 - 1 - H GLN 122 - HG LEU 64 lone 1 73 - 1 - H SER 72 - HG LEU 90 lone 1 75 - 1 - H GLY 26 - HG LEU 64 lone 0 65 - 1 - H GLN 122 - HG LEU 114 lone 1 57 - 1 - H GLY 26 - HG LEU 114 lone 0 50 - 1 - H GLY 26 - HG LEU 90 lone 0 64 - 1 - Peak 7620 from cnoeabs.peaks (8.04, 0.81, 24.93 ppm; 4.82 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 65 + QD1 LEU 64 OK 100 100 - 100 - 4.7=100 Peak 7621 from cnoeabs.peaks (8.04, 0.78, 24.57 ppm; 5.01 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 65 + QD2 LEU 64 OK 100 100 - 100 - 4.7=100 Peak 7622 from cnoeabs.peaks (7.80, 3.79, 60.23 ppm; 4.54 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 66 + HA LYS 65 OK 100 100 - 100 - 3.6=100 Peak 7623 from cnoeabs.peaks (7.80, 1.93, 32.27 ppm; 2.86 A): 4 out of 16 assignments used, quality = 0.85: * H GLU 66 + HB2 LYS 65 OK 55 100 - 55 - 4.7=23, 1908/4.0=11...(8) H GLU 66 + HB3 LYS 65 OK 55 100 - 55 - 4.7=23, 1908/4.0=11...(8) H GLU 66 + HB3 LYS 115 OK 14 98 - 15 - 400=4, 402/3.0=3, 400/1.8=3 H GLU 66 + HB2 LYS 115 OK 13 92 - 14 - 400=4, 402/3.0=3, 400/1.8=3 H GLU 66 - HB2 LYS 123 lone 7 100 - 7 - 1909/3.7=3, 400=2 H LYS 96 - HB3 LYS 40 poor 5 40 - 13 - ~8044=5, 2.9/8046=3...(4) H LYS 96 - HB2 LYS 39 lone 4 48 - 8 - 1939/4.0=3, 1639/2.9=1 H LYS 96 - HB2 LYS 123 lone 2 69 - 3 - H GLU 66 - HB2 LYS 39 lone 2 79 - 2 - H LYS 96 - HB3 LYS 39 lone 2 24 - 8 - 1939/4.0=3, 2.9/8045=1 H LYS 96 - HB2 LYS 65 lone 1 70 - 2 - H LYS 96 - HB3 LYS 65 lone 1 69 - 2 - H GLU 66 - HB3 LYS 39 lone 1 42 - 2 - H LYS 96 - HB3 LYS 115 lone 1 66 - 1 - H LYS 96 - HB2 LYS 115 lone 1 59 - 1 - H GLU 66 - HB3 LYS 40 lone 1 69 - 1 - Peak 7624 from cnoeabs.peaks (7.80, 1.93, 32.27 ppm; 2.86 A): 4 out of 16 assignments used, quality = 0.85: H GLU 66 + HB2 LYS 65 OK 55 100 - 55 - 4.7=23, 1908/4.0=11...(8) * H GLU 66 + HB3 LYS 65 OK 55 100 - 55 - 4.7=23, 1908/4.0=11...(8) H GLU 66 + HB3 LYS 115 OK 14 98 - 15 - 400=4, 402/3.0=3, 400/1.8=3 H GLU 66 + HB2 LYS 115 OK 13 94 - 14 - 400=4, 402/3.0=3, 400/1.8=3 H GLU 66 - HB2 LYS 123 lone 7 100 - 7 - 1909/3.7=3, 400=2 H LYS 96 - HB3 LYS 40 poor 5 37 - 13 - ~8044=5, 2.9/8046=3...(4) H LYS 96 - HB2 LYS 39 lone 4 47 - 8 - 1939/4.0=3, 1639/2.9=1 H LYS 96 - HB2 LYS 123 lone 2 68 - 3 - H GLU 66 - HB2 LYS 39 lone 2 79 - 2 - H LYS 96 - HB3 LYS 39 lone 2 21 - 8 - 1939/4.0=3, 2.9/8045=1 H LYS 96 - HB3 LYS 65 lone 1 70 - 2 - H LYS 96 - HB2 LYS 65 lone 1 69 - 2 - H GLU 66 - HB3 LYS 39 lone 1 38 - 2 - H LYS 96 - HB3 LYS 115 lone 1 65 - 1 - H LYS 96 - HB2 LYS 115 lone 1 61 - 1 - H GLU 66 - HB3 LYS 40 lone 1 64 - 1 - Peak 7625 from cnoeabs.peaks (7.80, 1.55, 24.91 ppm; 4.13 A): 2 out of 4 assignments used, quality = 0.83: * H GLU 66 + HG2 LYS 65 OK 78 100 - 78 - 402=31, 7626/1.8=28...(11) H GLU 66 + HG2 LYS 115 OK 25 73 - 35 - 402=11, 3.6/4797=7...(9) H LYS 96 - HG2 LYS 65 lone 3 70 - 4 - 7626/1.8=1 H LYS 96 - HG2 LYS 115 lone 1 44 - 2 - Peak 7626 from cnoeabs.peaks (7.80, 1.34, 24.91 ppm; 4.80 A): 1 out of 2 assignments used, quality = 0.85: * H GLU 66 + HG3 LYS 65 OK 85 100 - 85 - 403=36, 7625/1.8=34...(11) H LYS 96 - HG3 LYS 65 lone 3 70 - 4 - 7625/1.8=1 Peak 7631 from cnoeabs.peaks (8.39, 4.03, 59.12 ppm; 4.71 A): 2 out of 2 assignments used, quality = 1.00: * H MET 67 + HA GLU 66 OK 100 100 - 100 - 3.6=100 H LYS 123 + HA LYS 123 OK 91 91 - 100 - 3.0=100 Peak 7632 from cnoeabs.peaks (8.39, 2.04, 29.26 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: * H MET 67 + HB2 GLU 66 OK 100 100 - 100 - 4.1=100 Peak 7633 from cnoeabs.peaks (8.39, 2.09, 29.26 ppm; 3.99 A): 1 out of 20 assignments used, quality = 0.98: * H MET 67 + HB3 GLU 66 OK 98 100 - 98 - 4.1=93, 408/3.7=29...(9) H MET 67 - HB3 GLU 69 OK 30 92 - 33 - 411=9, 2106/4.0=7...(8) H LYS 123 - HB3 GLU 66 OK 23 98 - 24 - 1909/3.7=5, 7635/3.0=5...(8) H LYS 123 - HB3 GLU 69 lone 8 88 - 10 - 2106/4.0=2, ~8133=2, 3.0/4896=1 H MET 67 - HB2 GLU 112 lone 7 84 - 9 - 411=2, 411/1.8=2...(4) H MET 67 - HB3 GLU 112 lone 7 80 - 8 - 411=2, 411/1.8=2, 4.7/4895=1 H ASP 36 - HB3 GLU 66 lone 5 98 - 5 - 7635/3.0=2, 1909/3.7=1 H ASP 36 - HB3 GLU 69 lone 2 88 - 2 - 2106/4.0=1 H LYS 123 - HB2 GLU 112 lone 2 80 - 2 - H LYS 123 - HB3 GLU 112 lone 2 76 - 2 - H ASP 31 - HB3 GLU 66 lone 1 70 - 1 - H PHE 79 - HB3 GLU 66 lone 1 57 - 1 - H ASP 36 - HB2 GLU 112 lone 1 80 - 1 - H ASP 36 - HB3 GLU 112 lone 1 76 - 1 - H ASP 31 - HB3 GLU 69 lone 1 59 - 1 - H PHE 79 - HB3 GLU 69 lone 0 48 - 1 - H ASP 31 - HB2 GLU 112 lone 0 52 - 1 - H ASP 31 - HB3 GLU 112 lone 0 49 - 1 - H PHE 79 - HB2 GLU 112 lone 0 42 - 1 - H PHE 79 - HB3 GLU 112 lone 0 39 - 1 - Peak 7634 from cnoeabs.peaks (8.39, 2.39, 36.01 ppm; 5.30 A): 1 out of 1 assignment used, quality = 1.00: * H MET 67 + HG2 GLU 66 OK 100 100 - 100 - 5.0=100 Peak 7635 from cnoeabs.peaks (8.39, 2.19, 36.01 ppm; 4.97 A): 1 out of 5 assignments used, quality = 1.00: * H MET 67 + HG3 GLU 66 OK 100 100 - 100 - 5.0=98, 408/4.9=31...(14) H LYS 123 - HG3 GLU 66 OK 32 98 - 33 - 1909/4.9=6, 3.6/11069=5...(9) H ASP 36 - HG3 GLU 66 OK 11 98 - 11 - 9386/11067=3, 1909/4.9=2...(6) H PHE 79 - HG3 GLU 66 lone 2 57 - 3 - H ASP 31 - HG3 GLU 66 lone 1 70 - 2 - Peak 7636 from cnoeabs.peaks (8.47, 3.95, 59.96 ppm; 4.90 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 68 + HA MET 67 OK 100 100 - 100 - 3.6=100 Peak 7637 from cnoeabs.peaks (8.47, 2.20, 33.44 ppm; 4.92 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 68 + HB2 MET 67 OK 100 100 - 100 - 4.6=100 Peak 7638 from cnoeabs.peaks (8.47, 2.05, 33.44 ppm; 4.73 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 68 + HB3 MET 67 OK 100 100 - 100 - 4.6=100 Peak 7640 from cnoeabs.peaks (8.47, 2.40, 32.07 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.92: * H LEU 68 + HG3 MET 67 OK 92 100 - 92 - 7641/3.3=44, 1910/5.1=42...(15) Peak 7641 from cnoeabs.peaks (8.47, 1.88, 16.76 ppm; 4.87 A): 1 out of 1 assignment used, quality = 0.86: * H LEU 68 + QE MET 67 OK 86 100 - 86 - 3.6/4949=33, 7640/3.3=21...(16) Peak 7642 from cnoeabs.peaks (7.63, 3.78, 57.94 ppm; 5.79 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 69 + HA LEU 68 OK 100 100 - 100 - 3.6=100 Peak 7643 from cnoeabs.peaks (7.63, 1.75, 40.88 ppm; 3.96 A): 3 out of 20 assignments used, quality = 0.94: * H GLU 69 + HB2 LEU 68 OK 82 100 - 82 - 4.6=64, 421/4.0=23...(6) H LYS 115 + HB2 LEU 114 OK 54 60 - 90 - 4.3=77, 718/3.9=20...(10) H LEU 64 + HB2 LEU 68 OK 28 100 - 28 - ~11053=7, 7644/1.8=6...(7) H LYS 115 - HB2 LEU 68 OK 25 92 - 27 - ~10455=12, 7644/1.8=5...(6) H LEU 64 - HB2 LEU 114 OK 22 71 - 31 - 2083/3.0=7, 1420/3.1=6...(8) H GLN 100 - HB2 LEU 114 poor 8 70 - 12 - 7883/1.8=2, 1957/3.9=2...(6) H GLU 69 - HB2 LEU 114 poor 8 71 - 11 - 423=3, 424/1.8=2...(5) H ALA 46 - HB2 LEU 68 lone 8 92 - 8 - 421/4.0=3, 7644/1.8=2, 423=2 H GLN 100 - HB2 LEU 68 lone 5 99 - 5 - 1911/4.0=2, 7644/1.8=1 H LEU 74 - HB2 LEU 114 lone 3 39 - 6 - 7883/1.8=1 HE21 GLN 85 - HB2 LEU 68 lone 2 100 - 2 - H ALA 46 - HB2 LEU 114 lone 2 60 - 3 - H ASP 34 - HB2 LEU 114 lone 2 58 - 3 - H ASP 34 - HB2 LEU 68 lone 2 90 - 2 - HE21 GLN 85 - HB2 LEU 114 lone 1 70 - 2 - HD21 ASN 50 - HB2 LEU 68 lone 1 98 - 1 - H LEU 74 - HB2 LEU 68 lone 1 65 - 2 - HD21 ASN 10 - HB2 LEU 68 lone 1 81 - 1 - HD21 ASN 50 - HB2 LEU 114 lone 1 67 - 1 - HD21 ASN 10 - HB2 LEU 114 lone 0 50 - 1 - Peak 7644 from cnoeabs.peaks (7.63, 1.38, 40.88 ppm; 4.05 A): 3 out of 10 assignments used, quality = 0.91: * H GLU 69 + HB3 LEU 68 OK 85 100 - 85 - 4.6=69, 421/4.0=24...(6) H LEU 64 + HB3 LEU 68 OK 27 100 - 27 - ~11053=8, ~9754=6...(7) H LYS 115 + HB3 LEU 68 OK 23 92 - 25 - ~10455=13, 7643/1.8=4...(6) H ALA 46 - HB3 LEU 68 lone 8 92 - 9 - 421/4.0=3, 424=2, 423/1.8=2 H GLN 100 - HB3 LEU 68 lone 5 99 - 5 - 1911/4.0=2 HE21 GLN 85 - HB3 LEU 68 lone 2 100 - 2 - H ASP 34 - HB3 LEU 68 lone 2 90 - 2 - HD21 ASN 50 - HB3 LEU 68 lone 1 98 - 1 - H LEU 74 - HB3 LEU 68 lone 1 65 - 2 - HD21 ASN 10 - HB3 LEU 68 lone 1 81 - 1 - Peak 7645 from cnoeabs.peaks (7.63, 1.59, 26.45 ppm; 6.20 A): 3 out of 10 assignments used, quality = 0.95: * H GLU 69 + HG LEU 68 OK 81 100 - 81 - 4.6/4976=42, 424/3.0=29...(9) H LEU 64 + HG LEU 68 OK 56 100 - 56 - ~11053=23, ~9754=17...(7) H LYS 115 + HG LEU 68 OK 46 92 - 50 - ~10455=38, 7644/3.0=7...(5) H ALA 46 - HG LEU 68 OK 14 92 - 15 - 421/5.3=4, 7644/3.0=3...(5) H GLN 100 - HG LEU 68 lone 9 99 - 9 - 1911/5.3=4, 7644/3.0=1 HE21 GLN 85 - HG LEU 68 lone 5 100 - 5 - 1911/5.3=1 H ASP 34 - HG LEU 68 lone 5 90 - 5 - H LEU 74 - HG LEU 68 lone 5 65 - 7 - 4.6/1480=3 HD21 ASN 50 - HG LEU 68 lone 3 98 - 3 - HD21 ASN 10 - HG LEU 68 lone 2 81 - 2 - Peak 7646 from cnoeabs.peaks (7.63, 0.51, 25.27 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 69 + QD1 LEU 68 OK 100 100 - 100 - 4.9=100 Peak 7647 from cnoeabs.peaks (7.63, 0.38, 23.07 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 69 + QD2 LEU 68 OK 100 100 - 100 - 4.9=100 Peak 7648 from cnoeabs.peaks (7.72, 4.05, 59.42 ppm; 3.77 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 70 + HA GLU 69 OK 100 100 - 100 - 3.6=100 Peak 7649 from cnoeabs.peaks (7.72, 2.20, 29.14 ppm; 4.15 A): 3 out of 6 assignments used, quality = 0.95: * H LEU 70 + HB2 GLU 69 OK 88 100 - 88 - 4.6=72, 431/1.8=27...(9) H GLU 47 + HB2 GLU 69 OK 32 99 - 33 - 2074/2.9=9, 278/4.0=8...(6) H LYS 73 + HB2 GLU 69 OK 32 98 - 32 - 2127/2.9=13, 7650/1.8=7...(5) H LEU 70 - HB2 GLN 100 OK 11 84 - 13 - 430=3, 433/3.0=2...(5) H GLU 47 - HB2 GLN 100 lone 2 82 - 2 - H LYS 73 - HB2 GLN 100 lone 2 80 - 2 - Peak 7650 from cnoeabs.peaks (7.72, 2.09, 29.14 ppm; 3.67 A): 4 out of 12 assignments used, quality = 0.89: * H LEU 70 + HB3 GLU 69 OK 77 100 - 77 - 4.6=50, 430/1.8=18...(6) H GLU 47 + HB3 GLU 69 OK 28 99 - 28 - 2074/2.9=7, 278/4.0=6...(6) H LYS 73 + HB3 GLU 69 OK 27 98 - 28 - 2127/2.9=10, 7649/1.8=6...(8) H LEU 70 + HB3 GLU 66 OK 14 92 - 15 - 431=5, 3.6/5010=4...(4) H LEU 70 - HB2 GLU 112 lone 7 96 - 7 - 431=3, 431/1.8=2, 3.6/5010=1 H LEU 70 - HB3 GLU 112 lone 7 94 - 7 - 431=3, 431/1.8=2, 3.6/5010=1 H GLU 47 - HB3 GLU 66 lone 4 91 - 4 - H LYS 73 - HB3 GLU 66 lone 3 88 - 3 - H GLU 47 - HB2 GLU 112 lone 1 95 - 1 - H GLU 47 - HB3 GLU 112 lone 1 93 - 1 - H LYS 73 - HB2 GLU 112 lone 1 93 - 1 - H LYS 73 - HB3 GLU 112 lone 1 90 - 1 - Peak 7651 from cnoeabs.peaks (7.72, 2.27, 36.01 ppm; 4.05 A): 4 out of 15 assignments used, quality = 0.83: * H LEU 70 + HG2 GLU 69 OK 62 100 - 62 - 431/3.0=20, 4.6/5017=17...(7) H GLU 47 + HG2 GLU 69 OK 28 99 - 28 - 2074/4.0=7, 7652/1.8=7...(6) H LYS 73 + HG2 GLU 69 OK 27 98 - 28 - 2127/4.0=10, 7652/1.8=6...(5) H LEU 70 + HG3 GLU 111 OK 12 99 - 12 - 4.6/5007=2, 3.6/5016=2...(7) H LEU 70 - HG3 GLU 92 poor 10 90 - 11 - 4.6/5007=2, 3.6/5016=2...(5) H LEU 70 - HG2 GLU 111 lone 6 63 - 10 - 432/1.8=2, 4.6/5007=2...(6) H GLU 47 - HG3 GLU 111 lone 5 97 - 5 - 1306/1.8=1 H GLU 47 - HG3 GLU 92 lone 3 89 - 4 - H GLU 47 - HG2 GLU 89 lone 3 81 - 4 - 2072/3.8=1 H LEU 70 - HG2 GLU 89 lone 2 83 - 3 - H GLU 47 - HG2 GLU 111 lone 2 61 - 3 - H LYS 73 - HG3 GLU 111 lone 2 96 - 2 - H LYS 73 - HG3 GLU 92 lone 1 86 - 2 - H LYS 73 - HG2 GLU 89 lone 1 78 - 1 - H LYS 73 - HG2 GLU 111 lone 1 59 - 1 - Peak 7652 from cnoeabs.peaks (7.72, 2.44, 36.01 ppm; 4.88 A): 3 out of 3 assignments used, quality = 0.92: * H LEU 70 + HG3 GLU 69 OK 80 100 - 80 - 3.6/5022=33, 4.6/5024=28...(7) H GLU 47 + HG3 GLU 69 OK 37 99 - 37 - 2074/4.0=10, 7651/1.8=8...(6) H LYS 73 + HG3 GLU 69 OK 35 98 - 36 - 2127/4.0=14, 7651/1.8=8...(5) Peak 7653 from cnoeabs.peaks (8.60, 4.16, 57.77 ppm; 4.69 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 71 + HA LEU 70 OK 100 100 - 100 - 3.6=100 Peak 7654 from cnoeabs.peaks (8.60, 1.94, 41.94 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 71 + HB2 LEU 70 OK 100 100 - 100 - 4.5=100 Peak 7655 from cnoeabs.peaks (8.60, 1.57, 41.94 ppm; 4.68 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 71 + HB3 LEU 70 OK 100 100 - 100 - 4.5=100 Peak 7656 from cnoeabs.peaks (8.60, 1.85, 26.77 ppm; 6.20 A): 2 out of 16 assignments used, quality = 0.97: * H ILE 71 + HG LEU 70 OK 93 100 - 93 - 3.6/5031=37, 4.6/1462=34...(10) H ALA 124 + HG LEU 127 OK 53 82 - 65 - ~10653=22, ~8321=20...(10) H LYS 94 - HG LEU 70 OK 38 96 - 40 - 7657/2.1=13, ~10101=11...(5) H ALA 124 - HG LEU 70 OK 23 100 - 23 - 7657/2.1=4, 1913/4.8=4...(10) H ILE 71 - HG LEU 127 OK 13 83 - 15 - 1470/2.1=3, 3.6/5031=3...(5) H LEU 80 - HG LEU 70 lone 5 100 - 5 - 1913/4.8=1 H THR 108 - HG LEU 70 lone 4 98 - 4 - H LYS 49 - HG LEU 70 lone 3 94 - 3 - H LYS 94 - HG LEU 127 lone 3 75 - 4 - H ASP 12 - HG LEU 70 lone 2 87 - 3 - H LEU 80 - HG LEU 127 lone 2 82 - 2 - H GLN 85 - HG LEU 70 lone 2 61 - 3 - H THR 108 - HG LEU 127 lone 2 78 - 2 - H ASP 12 - HG LEU 127 lone 1 66 - 2 - H LYS 49 - HG LEU 127 lone 1 73 - 2 - H GLN 85 - HG LEU 127 lone 1 44 - 2 - Peak 7657 from cnoeabs.peaks (8.60, 0.91, 25.18 ppm; 4.23 A): 2 out of 8 assignments used, quality = 0.96: * H ILE 71 + QD1 LEU 70 OK 94 100 - 94 - 4.7=71, 3.6/5056=30...(10) H LYS 94 + QD1 LEU 70 OK 39 96 - 41 - 3.0/10101=9, 10099=8...(11) H ALA 124 - QD1 LEU 70 OK 13 100 - 13 - 1913/4.8=2, 786/3.1=2...(6) H LEU 80 - QD1 LEU 70 lone 3 100 - 3 - H ASP 12 - QD1 LEU 70 lone 2 87 - 2 - H THR 108 - QD1 LEU 70 lone 2 98 - 2 - H LYS 49 - QD1 LEU 70 lone 1 94 - 2 - H GLN 85 - QD1 LEU 70 lone 1 61 - 2 - Peak 7658 from cnoeabs.peaks (8.60, 0.90, 23.17 ppm; 5.67 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 71 + QD2 LEU 70 OK 100 100 - 100 - 4.7=100 Peak 7659 from cnoeabs.peaks (8.02, 3.74, 64.24 ppm; 5.18 A): 1 out of 1 assignment used, quality = 1.00: * H SER 72 + HA ILE 71 OK 100 100 - 100 - 3.6=100 Peak 7660 from cnoeabs.peaks (8.02, 1.90, 37.90 ppm; 4.87 A): 1 out of 1 assignment used, quality = 1.00: * H SER 72 + HB ILE 71 OK 100 100 - 100 - 4.5=100 Peak 7661 from cnoeabs.peaks (8.02, 0.82, 18.37 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: * H SER 72 + QG2 ILE 71 OK 100 100 - 100 - 4.1=100 Peak 7662 from cnoeabs.peaks (8.02, 1.69, 28.69 ppm; 5.40 A): 3 out of 56 assignments used, quality = 0.95: * H SER 72 + HG12 ILE 71 OK 89 100 - 89 - 446/1.8=33, 447/2.1=28...(11) H SER 72 + HD2 LYS 73 OK 35 83 - 43 - 448/6.4=21, 443/3.8=6...(7) H SER 72 + HD3 LYS 73 OK 34 78 - 43 - 448/6.4=21, 443/3.8=6...(7) H LYS 65 - HG12 ILE 71 OK 25 77 - 32 - 10807/2.1=6, 3.0/11370=5...(9) H SER 72 - HD2 LYS 20 lone 8 92 - 9 - 4.6/1483=2, 445=1, 445/1.8=1 H SER 72 - HD3 LYS 20 lone 8 89 - 9 - 4.6/1483=2, 445=1, 445/1.8=1 H ARG 118 - HD2 LYS 20 lone 7 91 - 8 - 1776/3.0=2, ~6856=1 H ARG 118 - HD3 LYS 20 lone 7 88 - 8 - 1776/3.0=2, ~6856=1 H SER 72 - HD3 LYS 96 lone 5 58 - 9 - 2122/5.3=2, 445=1 H ARG 118 - HG12 ILE 71 lone 5 100 - 5 - 10807/2.1=2 H SER 72 - HD3 LYS 43 lone 4 78 - 6 - 4.6/1483=2 H SER 72 - HD2 LYS 96 lone 4 50 - 8 - 2122/5.3=2 H ARG 118 - HD2 LYS 73 lone 4 81 - 4 - H LYS 65 - HD2 LYS 20 lone 4 65 - 5 - H ARG 118 - HD3 LYS 73 lone 4 77 - 4 - H LYS 65 - HD3 LYS 20 lone 3 63 - 5 - H LYS 65 - HD2 LYS 73 lone 3 57 - 5 - H ASP 109 - HG12 ILE 71 lone 3 84 - 3 - H LYS 65 - HD3 LYS 73 lone 3 53 - 5 - H ILE 116 - HG12 ILE 71 lone 3 61 - 4 - H GLY 26 - HG12 ILE 71 lone 2 100 - 2 - H VAL 22 - HG12 ILE 71 lone 2 81 - 3 - H LYS 65 - HD3 LYS 43 lone 2 53 - 3 - H ARG 118 - HD3 LYS 43 lone 2 77 - 2 - H GLY 26 - HD2 LYS 73 lone 1 81 - 2 - H GLY 26 - HD2 LYS 20 lone 1 91 - 1 - H GLY 26 - HD3 LYS 73 lone 1 77 - 2 - H LYS 65 - HD3 LYS 96 lone 1 38 - 3 - H GLY 26 - HD3 LYS 20 lone 1 88 - 1 - H ILE 116 - HD2 LYS 73 lone 1 44 - 3 - H ILE 116 - HD2 LYS 20 lone 1 51 - 2 - H ILE 116 - HD3 LYS 73 lone 1 41 - 3 - H ILE 116 - HD3 LYS 20 lone 1 49 - 2 - H LYS 65 - HD2 LYS 96 lone 1 32 - 3 - H ASP 109 - HD2 LYS 73 lone 1 63 - 2 - H GLY 26 - HD3 LYS 43 lone 1 77 - 1 - H GLY 26 - HD3 LYS 96 lone 1 57 - 2 - H ASP 109 - HD2 LYS 20 lone 1 72 - 1 - H ASP 109 - HD3 LYS 73 lone 1 59 - 2 - H VAL 22 - HD2 LYS 73 lone 1 60 - 2 - H ASP 109 - HD3 LYS 20 lone 1 69 - 1 - H VAL 22 - HD2 LYS 20 lone 1 69 - 1 - H ILE 116 - HD3 LYS 96 lone 1 29 - 3 - H VAL 22 - HD3 LYS 73 lone 1 56 - 2 - H VAL 22 - HD3 LYS 20 lone 1 66 - 1 - H ARG 118 - HD3 LYS 96 lone 1 57 - 1 - H GLY 26 - HD2 LYS 96 lone 1 49 - 2 - H ASP 109 - HD3 LYS 43 lone 1 59 - 1 - H ILE 116 - HD2 LYS 96 lone 1 24 - 3 - H ARG 118 - HD2 LYS 96 lone 1 49 - 1 - H VAL 22 - HD3 LYS 43 lone 1 56 - 1 - H ILE 116 - HD3 LYS 43 lone 1 41 - 2 - H ASP 109 - HD3 LYS 96 lone 1 42 - 1 - H VAL 22 - HD3 LYS 96 lone 1 40 - 1 - H ASP 109 - HD2 LYS 96 lone 0 36 - 1 - H VAL 22 - HD2 LYS 96 lone 0 34 - 1 - Peak 7665 from cnoeabs.peaks (7.72, 4.37, 61.37 ppm; 4.74 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 73 + HA SER 72 OK 100 100 - 100 - 3.6=100 Peak 7666 from cnoeabs.peaks (7.72, 4.12, 62.78 ppm; 4.68 A): 2 out of 2 assignments used, quality = 1.00: H LYS 73 + HB3 SER 72 OK 100 100 - 100 - 4.6=100 * H LYS 73 + HB2 SER 72 OK 100 100 - 100 - 4.6=100 Peak 7667 from cnoeabs.peaks (7.72, 4.12, 62.78 ppm; 4.68 A): 2 out of 2 assignments used, quality = 1.00: * H LYS 73 + HB3 SER 72 OK 100 100 - 100 - 4.6=100 H LYS 73 + HB2 SER 72 OK 100 100 - 100 - 4.6=100 Peak 7668 from cnoeabs.peaks (7.61, 4.29, 57.48 ppm; 4.12 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 74 + HA LYS 73 OK 100 100 - 100 - 3.6=100 Peak 7669 from cnoeabs.peaks (7.61, 1.90, 32.15 ppm; 3.04 A): 5 out of 81 assignments used, quality = 0.90: * H LEU 74 + HB2 LYS 73 OK 52 100 - 52 - 4.3=34, 452/4.0=10...(7) H LEU 74 + HB3 LYS 73 OK 52 100 - 52 - 4.3=34, 452/4.0=10...(7) H LYS 16 + HB3 LYS 16 OK 43 60 - 71 - 4.0=43, 2750/3.0=13...(10) H LYS 16 + HB2 LYS 73 OK 14 99 - 14 - 7671/2.9=3, 452/4.0=3...(5) H LYS 16 + HB3 LYS 73 OK 14 99 - 14 - 7671/2.9=3, 452/4.0=3...(5) H LEU 74 - HB3 LYS 16 poor 8 63 - 12 - 2750/3.0=3, 2760/3.0=2...(5) H GLU 69 - HB2 LYS 73 poor 8 65 - 12 - 1916/4.0=3, 7671/2.9=2...(4) H GLU 69 - HB3 LYS 73 poor 8 65 - 12 - 1916/4.0=3, 7671/2.9=2...(4) H GLN 100 - HB2 LYS 96 lone 7 70 - 10 - 3.6/8208=5, 11178/3.0=1 H LYS 16 - HB2 LYS 20 lone 4 81 - 4 - 4.6/85=1 H LYS 16 - HB3 LYS 20 lone 4 81 - 4 - 4.6/85=1 H LEU 74 - HB3 LYS 20 lone 3 84 - 4 - H LEU 74 - HB2 LYS 20 lone 3 84 - 4 - H LYS 115 - HB3 LYS 16 lone 3 56 - 5 - 2760/3.0=1, 2750/3.0=1 H LEU 74 - HB3 LYS 44 lone 2 75 - 3 - H LYS 115 - HB2 LYS 73 lone 2 96 - 2 - H LYS 115 - HB3 LYS 73 lone 2 95 - 2 - H LYS 16 - HB3 LYS 44 lone 2 72 - 2 - H GLU 69 - HB3 LYS 44 lone 2 42 - 4 - H LEU 64 - HB3 LYS 20 lone 2 52 - 3 - 384/4.6=1 H LEU 64 - HB2 LYS 20 lone 2 52 - 3 - 384/4.6=1 H ASP 34 - HB2 LYS 73 lone 1 97 - 1 - H ASP 34 - HB3 LYS 73 lone 1 97 - 1 - H GLN 100 - HB3 LYS 20 lone 1 61 - 2 - H GLN 100 - HB2 LYS 20 lone 1 61 - 2 - H LEU 74 - HB2 LYS 96 lone 1 93 - 1 - H ASP 34 - HB3 LYS 16 lone 1 57 - 2 - H LYS 16 - HB2 LYS 96 lone 1 90 - 1 - H LEU 74 - HB3 LYS 43 lone 1 78 - 1 - H GLN 100 - HB2 LYS 73 lone 1 81 - 1 - H LYS 16 - HB3 LYS 43 lone 1 75 - 1 - H GLN 100 - HB3 LYS 73 lone 1 80 - 1 - H LYS 115 - HB2 LYS 96 lone 1 86 - 1 - H GLU 69 - HB2 LYS 96 lone 1 56 - 2 - H LEU 64 - HB2 LYS 73 lone 1 70 - 1 - H LEU 64 - HB3 LYS 73 lone 1 69 - 1 - H GLU 69 - HB3 LYS 43 lone 1 44 - 2 - H LYS 115 - HB3 LYS 20 lone 1 77 - 1 - H LYS 115 - HB2 LYS 20 lone 1 77 - 1 - H ASP 34 - HB2 LYS 96 lone 1 87 - 1 - H LEU 64 - HB2 LYS 96 lone 1 59 - 1 - H GLU 69 - HB3 LYS 20 lone 1 48 - 2 - H GLU 69 - HB2 LYS 20 lone 1 48 - 2 - H LEU 74 - HB2 LYS 43 lone 1 57 - 1 - H LYS 16 - HB2 LYS 43 lone 1 54 - 1 - HE ARG 105 - HB2 LYS 73 lone 1 92 - 1 - HE ARG 105 - HB3 LYS 73 lone 1 92 - 1 - HE ARG 105 - HB3 LYS 16 lone 1 52 - 1 - H GLN 100 - HB3 LYS 44 lone 1 54 - 1 - H GLU 69 - HB2 LYS 43 lone 1 30 - 2 - HE21 GLN 85 - HB2 LYS 73 lone 1 77 - 1 - HE21 GLN 85 - HB3 LYS 73 lone 1 77 - 1 - H ASP 34 - HB3 LYS 44 lone 1 69 - 1 - H ASP 34 - HB3 LYS 20 lone 1 78 - 1 - H ASP 34 - HB2 LYS 20 lone 1 78 - 1 - H LYS 115 - HB3 LYS 44 lone 0 68 - 1 - H ASP 34 - HB3 LYS 43 lone 0 73 - 1 - H LEU 64 - HB3 LYS 44 lone 0 45 - 1 - HE21 GLN 85 - HB2 LYS 96 lone 0 66 - 1 - H LEU 64 - HB3 LYS 43 lone 0 47 - 1 - H GLN 100 - HB3 LYS 43 lone 0 56 - 1 - H LYS 115 - HB3 LYS 43 lone 0 71 - 0 - H ASP 34 - HB2 LYS 43 lone 0 52 - 1 - H GLN 100 - HB3 LYS 16 lone 0 44 - 1 - H GLU 69 - HB3 LYS 16 lone 0 34 - 1 - H LEU 64 - HB3 LYS 16 lone 0 36 - 1 - HE ARG 105 - HB2 LYS 96 lone 0 81 - 0 - HE ARG 105 - HB2 LYS 20 lone 0 72 - 0 - HE ARG 105 - HB3 LYS 20 lone 0 72 - 0 - HE ARG 105 - HB3 LYS 44 lone 0 64 - 0 - H LEU 64 - HB2 LYS 43 lone 0 32 - 1 - HE21 GLN 85 - HB3 LYS 20 lone 0 58 - 0 - HE21 GLN 85 - HB2 LYS 20 lone 0 58 - 0 - H GLN 100 - HB2 LYS 43 lone 0 39 - 1 - HE ARG 105 - HB3 LYS 43 lone 0 67 - 0 - H LYS 115 - HB2 LYS 43 lone 0 50 - 0 - HE21 GLN 85 - HB3 LYS 16 lone 0 41 - 0 - HE21 GLN 85 - HB3 LYS 44 lone 0 51 - 0 - HE21 GLN 85 - HB3 LYS 43 lone 0 53 - 0 - HE ARG 105 - HB2 LYS 43 lone 0 47 - 0 - HE21 GLN 85 - HB2 LYS 43 lone 0 37 - 0 - Peak 7670 from cnoeabs.peaks (7.61, 1.89, 32.15 ppm; 3.04 A): 6 out of 90 assignments used, quality = 0.95: * H LEU 74 + HB3 LYS 73 OK 52 100 - 52 - 4.3=34, 452/4.0=10...(7) H LEU 74 + HB2 LYS 73 OK 52 100 - 52 - 4.3=34, 452/4.0=10...(7) H LYS 16 + HB3 LYS 16 OK 46 65 - 71 - 4.0=43, 2750/3.0=13...(10) H LYS 16 + HB2 LYS 16 OK 43 60 - 71 - 4.0=43, 2750/3.0=13...(10) H LYS 16 + HB3 LYS 73 OK 14 99 - 14 - 7671/2.9=3, 452/4.0=3...(5) H LYS 16 + HB2 LYS 73 OK 14 99 - 14 - 7671/2.9=3, 452/4.0=3...(5) H LEU 74 - HB3 LYS 16 poor 8 68 - 12 - 2750/3.0=3, 2760/3.0=2...(5) H LEU 74 - HB2 LYS 16 poor 8 63 - 12 - 2750/3.0=3, 2760/3.0=2...(5) H GLU 69 - HB3 LYS 73 poor 8 65 - 12 - 1916/4.0=3, 7671/2.9=2...(4) H GLU 69 - HB2 LYS 73 poor 8 65 - 12 - 1916/4.0=3, 7671/2.9=2...(4) H GLN 100 - HB2 LYS 96 lone 6 67 - 9 - 3.6/8208=5, 11178/3.0=1 H LYS 16 - HB3 LYS 20 lone 4 83 - 5 - 4.6/85=1 H LYS 16 - HB2 LYS 20 lone 4 83 - 5 - 4.6/85=1 H LEU 74 - HB3 LYS 20 lone 4 86 - 4 - H LEU 74 - HB2 LYS 20 lone 4 86 - 4 - H LYS 115 - HB3 LYS 16 lone 3 61 - 5 - 2760/3.0=1, 2750/3.0=1 H LYS 115 - HB2 LYS 16 lone 3 56 - 5 - 2760/3.0=1, 2750/3.0=1 H LYS 115 - HB3 LYS 73 lone 2 96 - 2 - H LYS 115 - HB2 LYS 73 lone 2 95 - 2 - H LEU 74 - HB3 LYS 44 lone 2 70 - 3 - H LEU 64 - HB2 LYS 20 lone 2 53 - 3 - 384/4.6=1 H LEU 64 - HB3 LYS 20 lone 2 53 - 3 - 384/4.6=1 H LYS 16 - HB3 LYS 44 lone 2 67 - 2 - H GLU 69 - HB3 LYS 44 lone 2 39 - 4 - H ASP 34 - HB3 LYS 73 lone 1 97 - 1 - H ASP 34 - HB2 LYS 73 lone 1 97 - 1 - H GLN 100 - HB3 LYS 20 lone 1 63 - 2 - H GLN 100 - HB2 LYS 20 lone 1 63 - 2 - H ASP 34 - HB3 LYS 16 lone 1 62 - 2 - H LEU 74 - HB2 LYS 96 lone 1 90 - 1 - H ASP 34 - HB2 LYS 16 lone 1 57 - 2 - H LYS 16 - HB2 LYS 96 lone 1 88 - 1 - H LEU 74 - HB3 LYS 43 lone 1 76 - 1 - H GLN 100 - HB3 LYS 73 lone 1 81 - 1 - H GLN 100 - HB2 LYS 73 lone 1 80 - 1 - H LYS 16 - HB3 LYS 43 lone 1 73 - 1 - H LYS 115 - HB2 LYS 96 lone 1 83 - 1 - H LEU 64 - HB3 LYS 73 lone 1 70 - 1 - H LEU 64 - HB2 LYS 73 lone 1 69 - 1 - H GLU 69 - HB2 LYS 96 lone 1 53 - 2 - H GLU 69 - HB3 LYS 43 lone 1 42 - 2 - H LYS 115 - HB2 LYS 20 lone 1 78 - 1 - H LYS 115 - HB3 LYS 20 lone 1 78 - 1 - H GLU 69 - HB3 LYS 20 lone 1 50 - 2 - H GLU 69 - HB2 LYS 20 lone 1 50 - 2 - H ASP 34 - HB2 LYS 96 lone 1 85 - 1 - HE ARG 105 - HB3 LYS 73 lone 1 92 - 1 - HE ARG 105 - HB2 LYS 73 lone 1 92 - 1 - H LEU 64 - HB2 LYS 96 lone 1 57 - 1 - H LEU 74 - HB2 LYS 43 lone 1 52 - 1 - HE ARG 105 - HB3 LYS 16 lone 1 57 - 1 - H LYS 16 - HB2 LYS 43 lone 1 50 - 1 - HE ARG 105 - HB2 LYS 16 lone 1 52 - 1 - H ASP 34 - HB2 LYS 20 lone 1 80 - 1 - H ASP 34 - HB3 LYS 20 lone 1 80 - 1 - HE21 GLN 85 - HB3 LYS 73 lone 1 77 - 1 - HE21 GLN 85 - HB2 LYS 73 lone 1 77 - 1 - H GLN 100 - HB3 LYS 44 lone 1 50 - 1 - H GLU 69 - HB2 LYS 43 lone 1 28 - 2 - H ASP 34 - HB3 LYS 44 lone 0 65 - 1 - H ASP 34 - HB3 LYS 43 lone 0 70 - 1 - H LYS 115 - HB3 LYS 44 lone 0 63 - 1 - H LEU 64 - HB3 LYS 44 lone 0 41 - 1 - HE21 GLN 85 - HB2 LYS 96 lone 0 64 - 1 - H LEU 64 - HB3 LYS 43 lone 0 45 - 1 - H GLN 100 - HB3 LYS 16 lone 0 48 - 1 - H GLN 100 - HB3 LYS 43 lone 0 54 - 1 - H GLU 69 - HB3 LYS 16 lone 0 37 - 1 - H LEU 64 - HB3 LYS 16 lone 0 40 - 1 - H GLN 100 - HB2 LYS 16 lone 0 44 - 1 - H LYS 115 - HB3 LYS 43 lone 0 68 - 0 - H GLU 69 - HB2 LYS 16 lone 0 34 - 1 - H LEU 64 - HB2 LYS 16 lone 0 36 - 1 - H ASP 34 - HB2 LYS 43 lone 0 48 - 1 - HE ARG 105 - HB2 LYS 96 lone 0 78 - 0 - HE ARG 105 - HB3 LYS 20 lone 0 74 - 0 - HE ARG 105 - HB2 LYS 20 lone 0 74 - 0 - HE21 GLN 85 - HB2 LYS 20 lone 0 60 - 0 - HE21 GLN 85 - HB3 LYS 20 lone 0 60 - 0 - HE21 GLN 85 - HB3 LYS 16 lone 0 45 - 0 - HE ARG 105 - HB3 LYS 44 lone 0 59 - 0 - HE ARG 105 - HB3 LYS 43 lone 0 64 - 0 - H LEU 64 - HB2 LYS 43 lone 0 30 - 1 - HE21 GLN 85 - HB2 LYS 16 lone 0 41 - 0 - H LYS 115 - HB2 LYS 43 lone 0 46 - 0 - H GLN 100 - HB2 LYS 43 lone 0 36 - 1 - HE21 GLN 85 - HB3 LYS 44 lone 0 47 - 0 - HE21 GLN 85 - HB3 LYS 43 lone 0 51 - 0 - HE ARG 105 - HB2 LYS 43 lone 0 43 - 0 - HE21 GLN 85 - HB2 LYS 43 lone 0 34 - 0 - Peak 7671 from cnoeabs.peaks (7.61, 1.60, 24.91 ppm; 4.33 A): 3 out of 18 assignments used, quality = 0.70: * H LEU 74 + HG2 LYS 73 OK 51 100 - 51 - 4.6/1480=19, 456=13...(7) H LYS 16 + HG2 LYS 73 OK 28 99 - 28 - 456=7, 452/4.9=5...(9) H GLU 69 + HG2 LYS 73 OK 16 65 - 25 - 4.6/5153=8, 1916/4.9=4...(8) H LYS 115 - HG2 LYS 73 lone 4 96 - 4 - H LEU 74 - HG2 LYS 44 lone 4 57 - 7 - 4.6/1480=2, 456=1 H LYS 16 - HG2 LYS 44 lone 3 55 - 6 - H ASP 34 - HG2 LYS 73 lone 3 97 - 3 - H GLU 69 - HG2 LYS 44 lone 2 31 - 8 - 425=1 H GLN 100 - HG2 LYS 73 lone 2 81 - 3 - H LEU 64 - HG2 LYS 73 lone 2 70 - 3 - HE ARG 105 - HG2 LYS 73 lone 2 92 - 2 - HE21 GLN 85 - HG2 LYS 73 lone 1 77 - 2 - H LYS 115 - HG2 LYS 44 lone 1 51 - 2 - H ASP 34 - HG2 LYS 44 lone 1 52 - 1 - H GLN 100 - HG2 LYS 44 lone 1 39 - 2 - H LEU 64 - HG2 LYS 44 lone 1 33 - 2 - HE ARG 105 - HG2 LYS 44 lone 0 48 - 1 - HE21 GLN 85 - HG2 LYS 44 lone 0 37 - 1 - Peak 7672 from cnoeabs.peaks (7.61, 1.48, 24.91 ppm; 5.95 A): 3 out of 9 assignments used, quality = 0.88: * H LEU 74 + HG3 LYS 73 OK 75 100 - 75 - 3.6/5128=30, 452/4.9=26...(9) H LYS 16 + HG3 LYS 73 OK 38 99 - 39 - 7671/1.8=11, 452/4.9=9...(10) H GLU 69 + HG3 LYS 73 OK 24 65 - 37 - 4.6/5163=14, 1916/4.9=7...(9) H LYS 115 - HG3 LYS 73 lone 7 96 - 7 - 7671/1.8=2, 1916/4.9=1 H ASP 34 - HG3 LYS 73 lone 5 97 - 5 - 7671/1.8=1 H LEU 64 - HG3 LYS 73 lone 4 70 - 6 - H GLN 100 - HG3 LYS 73 lone 4 81 - 5 - HE ARG 105 - HG3 LYS 73 lone 3 92 - 3 - HE21 GLN 85 - HG3 LYS 73 lone 2 77 - 3 - Peak 7673 from cnoeabs.peaks (7.61, 1.68, 28.78 ppm; 5.07 A): 5 out of 81 assignments used, quality = 0.95: * H LEU 74 + HD2 LYS 73 OK 57 100 - 57 - 7671/3.0=17, 452/6.4=14...(8) H LEU 74 + HD3 LYS 73 OK 57 100 - 57 - 7671/3.0=17, 452/6.4=14...(8) H LEU 74 + HG12 ILE 71 OK 36 83 - 43 - 9790/3.9=21, 1492/3.2=6...(9) H LYS 16 + HD2 LYS 73 OK 33 99 - 33 - 7671/3.0=9, 7672/3.0=6...(11) H LYS 16 + HD3 LYS 73 OK 33 99 - 33 - 7671/3.0=9, 7672/3.0=6...(11) H GLU 69 - HD2 LYS 73 OK 16 65 - 25 - 7671/3.0=5, 7672/3.0=4...(9) H GLU 69 - HD3 LYS 73 OK 16 65 - 25 - 7671/3.0=5, 7672/3.0=4...(9) H LEU 74 - HD3 LYS 20 OK 14 100 - 14 - 3.6/5174=4, 4.6/1483=2 H LYS 16 - HD3 LYS 20 OK 14 98 - 14 - 4.6/1118=3, 3.0/2726=2...(4) H LEU 74 - HD2 LYS 20 OK 14 99 - 14 - 3.6/5174=4, 4.6/1483=2 H LYS 16 - HD2 LYS 20 OK 14 98 - 14 - 4.6/1118=3, 3.0/2726=2...(4) H GLN 100 - HD3 LYS 96 OK 14 73 - 19 - 3.6/11310=6, 11178/5.3=3...(6) H GLN 100 - HD2 LYS 96 OK 13 71 - 18 - 3.6/11310=6, 11178/5.3=3...(6) H GLU 69 - HG12 ILE 71 OK 12 47 - 25 - 4.9/11075=10...(4) H LEU 74 - HD3 LYS 43 lone 9 100 - 9 - 3.6/5184=3, 4.6/1483=2 H LEU 74 - HD2 LYS 43 lone 9 96 - 9 - 3.6/5184=3, 4.6/1483=2 H LYS 16 - HG12 ILE 71 poor 8 80 - 10 - 9790/3.9=5, 80/2.1=1, 1492/3.2=1 H LYS 115 - HD2 LYS 73 lone 6 96 - 6 - 7671/3.0=1, 7672/3.0=1 H LYS 115 - HD3 LYS 73 lone 6 95 - 6 - 7671/3.0=1, 7672/3.0=1 H LYS 115 - HG12 ILE 71 lone 6 75 - 8 - 9790/3.9=2, 723/3.2=2, 724/2.1=1 H LYS 16 - HD3 LYS 43 lone 6 99 - 6 - H GLN 100 - HD3 LYS 20 lone 6 80 - 7 - 3.6/11310=2, 4.5/11544=1 H LEU 74 - HD3 LYS 96 lone 5 96 - 6 - 3.6/5184=1 H GLN 100 - HD2 LYS 20 lone 5 79 - 7 - 3.6/11310=2, 4.5/11544=1 H LYS 16 - HD2 LYS 43 lone 5 93 - 6 - H LEU 74 - HD2 LYS 96 lone 5 94 - 6 - 3.6/5184=1 H LYS 16 - HD3 LYS 96 lone 4 94 - 4 - H LYS 16 - HD2 LYS 96 lone 4 91 - 4 - H LYS 115 - HD3 LYS 96 lone 4 89 - 4 - H LYS 115 - HD3 LYS 20 lone 4 95 - 4 - H LYS 115 - HD2 LYS 96 lone 4 87 - 4 - H LYS 115 - HD2 LYS 20 lone 4 94 - 4 - H LEU 64 - HG12 ILE 71 lone 4 50 - 7 - 2083/3.9=2, 1420/3.2=1...(4) H GLN 100 - HD2 LYS 73 lone 4 81 - 4 - H GLN 100 - HD3 LYS 73 lone 4 80 - 4 - H ASP 34 - HD2 LYS 73 lone 4 97 - 4 - H ASP 34 - HD3 LYS 73 lone 4 97 - 4 - H GLU 69 - HD3 LYS 96 lone 4 59 - 6 - H GLU 69 - HD2 LYS 96 lone 3 57 - 6 - H GLU 69 - HD3 LYS 43 lone 3 65 - 4 - H GLU 69 - HD3 LYS 20 lone 3 65 - 4 - 4.9/11075=1 H GLU 69 - HD2 LYS 20 lone 3 64 - 4 - 4.9/11075=1 H LEU 64 - HD3 LYS 20 lone 3 69 - 4 - 2081/5.3=1 H LEU 64 - HD2 LYS 20 lone 3 68 - 4 - 2081/5.3=1 H LEU 64 - HD2 LYS 73 lone 3 70 - 4 - H LEU 64 - HD3 LYS 73 lone 3 69 - 4 - H GLU 69 - HD2 LYS 43 lone 2 58 - 4 - HE ARG 105 - HD2 LYS 73 lone 2 92 - 2 - HE ARG 105 - HD3 LYS 73 lone 2 92 - 2 - HE ARG 105 - HG12 ILE 71 lone 2 71 - 3 - H LEU 64 - HD3 LYS 96 lone 2 63 - 3 - H LYS 115 - HD3 LYS 43 lone 2 95 - 2 - H LEU 64 - HD2 LYS 96 lone 2 60 - 3 - H GLN 100 - HD3 LYS 43 lone 2 80 - 2 - H ASP 34 - HD3 LYS 96 lone 2 91 - 2 - H ASP 34 - HD3 LYS 20 lone 2 96 - 2 - H ASP 34 - HD2 LYS 96 lone 2 88 - 2 - H ASP 34 - HD2 LYS 20 lone 2 96 - 2 - H ASP 34 - HD3 LYS 43 lone 2 97 - 2 - H LYS 115 - HD2 LYS 43 lone 2 89 - 2 - HE21 GLN 85 - HD2 LYS 73 lone 2 77 - 2 - HE21 GLN 85 - HD3 LYS 73 lone 2 77 - 2 - H ASP 34 - HD2 LYS 43 lone 2 90 - 2 - H GLN 100 - HD2 LYS 43 lone 2 73 - 2 - H GLN 100 - HG12 ILE 71 lone 2 60 - 3 - HE21 GLN 85 - HG12 ILE 71 lone 2 57 - 3 - H LEU 64 - HD3 LYS 43 lone 1 69 - 2 - H ASP 34 - HG12 ILE 71 lone 1 77 - 2 - H LEU 64 - HD2 LYS 43 lone 1 62 - 2 - HE21 GLN 85 - HD3 LYS 96 lone 1 70 - 2 - HE21 GLN 85 - HD2 LYS 96 lone 1 68 - 2 - HE ARG 105 - HD3 LYS 20 lone 1 91 - 1 - HE ARG 105 - HD2 LYS 20 lone 1 90 - 1 - HE ARG 105 - HD3 LYS 43 lone 1 92 - 1 - HE ARG 105 - HD3 LYS 96 lone 1 85 - 1 - HE ARG 105 - HD2 LYS 43 lone 1 84 - 1 - HE ARG 105 - HD2 LYS 96 lone 1 82 - 1 - HE21 GLN 85 - HD3 LYS 20 lone 1 76 - 1 - HE21 GLN 85 - HD3 LYS 43 lone 1 77 - 1 - HE21 GLN 85 - HD2 LYS 20 lone 1 75 - 1 - HE21 GLN 85 - HD2 LYS 43 lone 1 70 - 1 - Peak 7674 from cnoeabs.peaks (7.61, 1.68, 28.78 ppm; 5.07 A): 5 out of 81 assignments used, quality = 0.94: H LEU 74 + HD2 LYS 73 OK 57 100 - 57 - 7671/3.0=17, 452/6.4=14...(8) * H LEU 74 + HD3 LYS 73 OK 57 100 - 57 - 7671/3.0=17, 452/6.4=14...(8) H LEU 74 + HG12 ILE 71 OK 34 78 - 43 - 9790/3.9=21, 1492/3.2=6...(9) H LYS 16 + HD2 LYS 73 OK 33 99 - 33 - 7671/3.0=9, 7672/3.0=6...(11) H LYS 16 + HD3 LYS 73 OK 33 99 - 33 - 7671/3.0=9, 7672/3.0=6...(11) H GLU 69 - HD3 LYS 73 OK 16 65 - 25 - 7671/3.0=5, 7672/3.0=4...(8) H GLU 69 - HD2 LYS 73 OK 16 65 - 25 - 7671/3.0=5, 7672/3.0=4...(8) H LEU 74 - HD3 LYS 20 OK 14 99 - 14 - 3.6/5174=4, 4.6/1483=2 H LYS 16 - HD3 LYS 20 OK 14 98 - 14 - 4.6/1118=3, 3.0/2726=2...(4) H LEU 74 - HD2 LYS 20 OK 14 99 - 14 - 3.6/5174=4, 4.6/1483=2 H GLN 100 - HD3 LYS 96 OK 14 74 - 19 - 3.6/11310=7, 11178/5.3=3...(6) H LYS 16 - HD2 LYS 20 OK 14 97 - 14 - 4.6/1118=3, 3.0/2726=2...(4) H GLN 100 - HD2 LYS 96 OK 13 72 - 18 - 3.6/11310=7, 11178/5.3=3...(6) H GLU 69 - HG12 ILE 71 OK 11 44 - 24 - 4.9/11075=10...(4) H LEU 74 - HD3 LYS 43 lone 9 100 - 9 - 3.6/5184=3, 4.6/1483=2 H LEU 74 - HD2 LYS 43 lone 9 97 - 9 - 3.6/5184=3, 4.6/1483=2 H LYS 16 - HG12 ILE 71 poor 8 75 - 10 - 9790/3.9=5, 80/2.1=1, 1492/3.2=1 H LYS 115 - HD2 LYS 73 lone 6 95 - 6 - 7671/3.0=1, 7672/3.0=1 H LYS 115 - HD3 LYS 73 lone 6 96 - 6 - 7671/3.0=1, 7672/3.0=1 H LYS 16 - HD3 LYS 43 lone 6 99 - 6 - H GLN 100 - HD3 LYS 20 lone 6 79 - 7 - 3.6/11310=2, 4.5/11544=1 H LEU 74 - HD3 LYS 96 lone 6 97 - 6 - 3.6/5184=1 H LYS 16 - HD2 LYS 43 lone 5 95 - 6 - H LYS 115 - HG12 ILE 71 lone 6 71 - 8 - 9790/3.9=2, 723/3.2=2, 724/2.1=1 H LEU 74 - HD2 LYS 96 lone 5 95 - 6 - 3.6/5184=1 H GLN 100 - HD2 LYS 20 lone 5 77 - 7 - 3.6/11310=2, 4.5/11544=1 H LYS 16 - HD3 LYS 96 lone 4 94 - 4 - H LYS 16 - HD2 LYS 96 lone 4 93 - 4 - H LYS 115 - HD3 LYS 96 lone 4 90 - 4 - H LYS 115 - HD2 LYS 96 lone 4 88 - 4 - H LYS 115 - HD3 LYS 20 lone 4 94 - 4 - H LYS 115 - HD2 LYS 20 lone 4 93 - 4 - H GLN 100 - HD3 LYS 73 lone 4 81 - 4 - H GLN 100 - HD2 LYS 73 lone 4 80 - 4 - H ASP 34 - HD3 LYS 73 lone 4 97 - 4 - H ASP 34 - HD2 LYS 73 lone 4 97 - 4 - H GLU 69 - HD3 LYS 96 lone 4 59 - 6 - H GLU 69 - HD2 LYS 96 lone 3 58 - 6 - H LEU 64 - HG12 ILE 71 lone 3 47 - 7 - 2083/3.9=2, 1420/3.2=1...(4) H GLU 69 - HD3 LYS 43 lone 3 65 - 4 - H GLU 69 - HD3 LYS 20 lone 3 64 - 4 - H LEU 64 - HD3 LYS 20 lone 3 68 - 4 - 2081/5.3=1 H GLU 69 - HD2 LYS 20 lone 3 62 - 4 - 4.9/11075=1 H LEU 64 - HD2 LYS 20 lone 3 66 - 4 - 2081/5.3=1 H LEU 64 - HD2 LYS 73 lone 3 69 - 4 - H LEU 64 - HD3 LYS 73 lone 3 70 - 4 - H GLU 69 - HD2 LYS 43 lone 2 61 - 4 - HE ARG 105 - HD3 LYS 73 lone 2 92 - 2 - HE ARG 105 - HD2 LYS 73 lone 2 92 - 2 - H LEU 64 - HD3 LYS 96 lone 2 63 - 3 - H LYS 115 - HD3 LYS 43 lone 2 96 - 2 - HE ARG 105 - HG12 ILE 71 lone 2 67 - 3 - H LEU 64 - HD2 LYS 96 lone 2 62 - 3 - H GLN 100 - HD3 LYS 43 lone 2 81 - 2 - H ASP 34 - HD3 LYS 96 lone 2 91 - 2 - H ASP 34 - HD2 LYS 96 lone 2 90 - 2 - H LYS 115 - HD2 LYS 43 lone 2 91 - 2 - H ASP 34 - HD3 LYS 20 lone 2 96 - 2 - H ASP 34 - HD3 LYS 43 lone 2 97 - 2 - H ASP 34 - HD2 LYS 20 lone 2 94 - 2 - H ASP 34 - HD2 LYS 43 lone 2 93 - 2 - HE21 GLN 85 - HD3 LYS 73 lone 2 77 - 2 - H GLN 100 - HD2 LYS 43 lone 2 75 - 2 - HE21 GLN 85 - HD2 LYS 73 lone 2 77 - 2 - H GLN 100 - HG12 ILE 71 lone 1 56 - 3 - HE21 GLN 85 - HG12 ILE 71 lone 1 53 - 3 - H LEU 64 - HD3 LYS 43 lone 1 70 - 2 - H ASP 34 - HG12 ILE 71 lone 1 73 - 2 - H LEU 64 - HD2 LYS 43 lone 1 64 - 2 - HE21 GLN 85 - HD3 LYS 96 lone 1 71 - 2 - HE21 GLN 85 - HD2 LYS 96 lone 1 69 - 2 - HE ARG 105 - HD3 LYS 20 lone 1 90 - 1 - HE ARG 105 - HD2 LYS 20 lone 1 89 - 1 - HE ARG 105 - HD3 LYS 43 lone 1 92 - 1 - HE ARG 105 - HD3 LYS 96 lone 1 86 - 1 - HE ARG 105 - HD2 LYS 43 lone 1 87 - 1 - HE ARG 105 - HD2 LYS 96 lone 1 84 - 1 - HE21 GLN 85 - HD3 LYS 43 lone 1 77 - 1 - HE21 GLN 85 - HD3 LYS 20 lone 1 75 - 1 - HE21 GLN 85 - HD2 LYS 20 lone 1 74 - 1 - HE21 GLN 85 - HD2 LYS 43 lone 1 72 - 1 - Peak 7677 from cnoeabs.peaks (7.92, 4.23, 55.20 ppm; 5.39 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 75 + HA LEU 74 OK 100 100 - 100 - 3.6=100 Peak 7678 from cnoeabs.peaks (7.92, 1.47, 41.49 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 75 + HB2 LEU 74 OK 100 100 - 100 - 4.6=100 Peak 7683 from cnoeabs.peaks (7.37, 3.84, 45.84 ppm; 4.62 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 76 + HA2 GLY 75 OK 100 100 - 100 - 3.6=100 Peak 7684 from cnoeabs.peaks (7.37, 4.01, 45.84 ppm; 4.98 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 76 + HA3 GLY 75 OK 100 100 - 100 - 3.6=100 Peak 7685 from cnoeabs.peaks (8.29, 4.78, 55.50 ppm; 5.60 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 77 + HA TYR 76 OK 100 100 - 100 - 3.6=100 Peak 7686 from cnoeabs.peaks (8.29, 2.66, 37.96 ppm; 5.77 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 77 + HB2 TYR 76 OK 100 100 - 100 - 4.4=100 Peak 7687 from cnoeabs.peaks (8.29, 2.85, 37.96 ppm; 5.10 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 77 + HB3 TYR 76 OK 100 100 - 100 - 4.4=100 Peak 7690 from cnoeabs.peaks (8.29, 6.86, 132.15 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.97: * H LYS 77 + QD TYR 76 OK 97 97 - 100 - 4.7=100 Peak 7691 from cnoeabs.peaks (7.83, 4.55, 55.07 ppm; 3.31 A): 1 out of 5 assignments used, quality = 0.89: * H VAL 78 + HA LYS 77 OK 89 100 - 89 - 3.6=80, 485/4.0=13...(10) H ILE 97 - HA LYS 77 lone 9 100 - 9 - 7695/4.0=2, 7694/4.0=2...(4) H LYS 39 - HA LYS 77 lone 6 100 - 6 - 7695/4.0=1, 7694/4.0=1 H TYR 27 - HA LYS 77 lone 1 77 - 1 - HE21 GLN 62 - HA LYS 77 lone 1 70 - 1 - Peak 7692 from cnoeabs.peaks (7.83, 1.84, 32.22 ppm; 4.21 A): 2 out of 15 assignments used, quality = 1.00: * H VAL 78 + HB2 LYS 77 OK 99 100 - 99 - 4.3=96, 481/3.0=35...(7) H VAL 78 + HB3 LYS 77 OK 99 100 - 99 - 4.3=96, 481/3.0=35...(7) H ILE 97 - HB3 LYS 77 OK 21 100 - 21 - 7695/3.0=5, 7694/3.0=5...(6) H ILE 97 - HB2 LYS 77 OK 21 100 - 21 - 7695/3.0=5, 7694/3.0=5...(6) H LYS 39 - HB3 LYS 77 OK 13 100 - 13 - 7695/3.0=3, 7694/3.0=3...(5) H LYS 39 - HB2 LYS 77 OK 13 100 - 13 - 7695/3.0=3, 7694/3.0=3...(5) H LYS 39 - HB3 LYS 19 lone 8 80 - 10 - ~7990=4, 3.0/7992=3 H TYR 27 - HB2 LYS 77 lone 2 77 - 2 - H TYR 27 - HB3 LYS 77 lone 2 76 - 2 - H ILE 97 - HB3 LYS 19 lone 1 80 - 2 - HE21 GLN 62 - HB2 LYS 77 lone 1 70 - 2 - HE21 GLN 62 - HB3 LYS 77 lone 1 69 - 2 - H VAL 78 - HB3 LYS 19 lone 1 81 - 1 - H TYR 27 - HB3 LYS 19 lone 0 55 - 1 - HE21 GLN 62 - HB3 LYS 19 lone 0 49 - 1 - Peak 7694 from cnoeabs.peaks (7.83, 1.35, 24.49 ppm; 5.16 A): 4 out of 10 assignments used, quality = 0.93: * H VAL 78 + HG2 LYS 77 OK 86 100 - 86 - 485/1.8=45, 481/4.0=37...(7) H ILE 97 + HG2 LYS 77 OK 35 100 - 35 - 7695/1.8=9, 4.8/11288=7...(8) H LYS 39 + HG2 LYS 77 OK 18 100 - 18 - 7695/1.8=5, 7691/4.0=2...(7) H ILE 97 + HG2 LYS 94 OK 12 41 - 30 - 2169/4.0=23, 4.8/11288=2...(5) H LYS 39 - HG2 LYS 94 poor 4 41 - 10 - 2169/4.0=7 H TYR 27 - HG2 LYS 77 lone 3 77 - 3 - HE21 GLN 62 - HG2 LYS 77 lone 2 70 - 3 - H VAL 78 - HG2 LYS 94 lone 2 41 - 4 - 8213/4.0=2 H TYR 27 - HG2 LYS 94 lone 0 26 - 2 - HE21 GLN 62 - HG2 LYS 94 lone 0 23 - 1 - Peak 7695 from cnoeabs.peaks (7.83, 1.17, 24.49 ppm; 5.01 A): 3 out of 5 assignments used, quality = 0.93: * H VAL 78 + HG3 LYS 77 OK 88 100 - 88 - 485=50, 481/4.0=35...(9) H ILE 97 + HG3 LYS 77 OK 31 100 - 31 - 4.8/11289=9, 7694/1.8=8...(8) H LYS 39 + HG3 LYS 77 OK 17 100 - 17 - 7694/1.8=4, 7691/4.0=2...(7) H TYR 27 - HG3 LYS 77 lone 2 77 - 3 - HE21 GLN 62 - HG3 LYS 77 lone 2 70 - 3 - Peak 7696 from cnoeabs.peaks (7.83, 1.62, 28.20 ppm; 4.14 A): 4 out of 10 assignments used, quality = 0.94: * H VAL 78 + HD2 LYS 77 OK 71 100 - 71 - 485/3.0=26, 486=21...(7) H VAL 78 + HD3 LYS 77 OK 71 100 - 71 - 485/3.0=26, 486=21...(7) H ILE 97 + HD3 LYS 77 OK 17 100 - 17 - 7695/3.0=5, 7694/3.0=5...(6) H ILE 97 + HD2 LYS 77 OK 17 100 - 17 - 7695/3.0=5, 7694/3.0=5...(6) H LYS 39 - HD3 LYS 77 lone 10 100 - 10 - 7695/3.0=3, 7694/3.0=2...(5) H LYS 39 - HD2 LYS 77 lone 10 100 - 10 - 7695/3.0=3, 7694/3.0=2...(5) H TYR 27 - HD2 LYS 77 lone 1 77 - 2 - H TYR 27 - HD3 LYS 77 lone 1 77 - 2 - HE21 GLN 62 - HD2 LYS 77 lone 1 70 - 2 - HE21 GLN 62 - HD3 LYS 77 lone 1 69 - 2 - Peak 7697 from cnoeabs.peaks (7.83, 1.62, 28.20 ppm; 4.14 A): 4 out of 10 assignments used, quality = 0.94: * H VAL 78 + HD3 LYS 77 OK 71 100 - 71 - 485/3.0=26, 487=21...(7) H VAL 78 + HD2 LYS 77 OK 71 100 - 71 - 485/3.0=26, 486=21...(7) H ILE 97 + HD3 LYS 77 OK 17 100 - 17 - 7695/3.0=5, 7694/3.0=5...(6) H ILE 97 + HD2 LYS 77 OK 17 100 - 17 - 7695/3.0=5, 7694/3.0=5...(6) H LYS 39 - HD3 LYS 77 lone 10 100 - 10 - 7695/3.0=3, 7694/3.0=2...(5) H LYS 39 - HD2 LYS 77 lone 10 100 - 10 - 7695/3.0=3, 7694/3.0=2...(5) H TYR 27 - HD3 LYS 77 lone 1 77 - 2 - H TYR 27 - HD2 LYS 77 lone 1 77 - 2 - HE21 GLN 62 - HD3 LYS 77 lone 1 70 - 2 - HE21 GLN 62 - HD2 LYS 77 lone 1 69 - 2 - Peak 7700 from cnoeabs.peaks (8.37, 5.17, 60.23 ppm; 3.36 A): 1 out of 5 assignments used, quality = 0.91: * H PHE 79 + HA VAL 78 OK 91 100 - 91 - 3.6=84, 7703/3.2=18...(8) H ASP 36 - HA VAL 78 lone 8 80 - 10 - ~9862=3, 7703/3.2=2...(5) H ASP 31 - HA VAL 78 lone 2 100 - 2 - H ASN 11 - HA VAL 78 lone 2 95 - 2 - 7703/3.2=1 H MET 67 - HA VAL 78 lone 1 57 - 2 - Peak 7701 from cnoeabs.peaks (8.37, 1.56, 34.35 ppm; 5.73 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 79 + HB VAL 78 OK 100 100 - 100 - 4.4=100 Peak 7702 from cnoeabs.peaks (8.37, 0.72, 22.14 ppm; 4.13 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 79 + QG2 VAL 78 OK 100 100 - 100 - 4.1=100 Peak 7703 from cnoeabs.peaks (8.37, 0.61, 21.11 ppm; 3.76 A): 2 out of 5 assignments used, quality = 0.94: * H PHE 79 + QG1 VAL 78 OK 93 100 - 93 - 4.1=75, 491/3.2=31...(13) H ASP 36 + QG1 VAL 78 OK 10 81 - 13 - ~9862=6, 9341/2.1=3...(4) H ASN 11 - QG1 VAL 78 lone 6 96 - 6 - 4.1/9866=3, 4.6/9886=2 H ASP 31 - QG1 VAL 78 lone 3 100 - 3 - H MET 67 - QG1 VAL 78 lone 2 57 - 3 - 2.9/9703=1 Peak 7704 from cnoeabs.peaks (8.60, 4.57, 55.95 ppm; 3.74 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 80 + HA PHE 79 OK 100 100 - 100 - 3.6=100 Peak 7705 from cnoeabs.peaks (8.60, 1.04, 40.18 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 80 + HB2 PHE 79 OK 100 100 - 100 - 4.5=100 Peak 7706 from cnoeabs.peaks (8.60, 2.08, 40.18 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 80 + HB3 PHE 79 OK 100 100 - 100 - 4.5=100 Peak 7710 from cnoeabs.peaks (9.06, 5.55, 54.00 ppm; 3.35 A): 1 out of 2 assignments used, quality = 0.91: * H LEU 81 + HA LEU 80 OK 91 100 - 91 - 3.6=83, 506/3.0=20...(11) H LEU 4 - HA LEU 80 lone 3 65 - 5 - 9071/9065=1 Peak 7711 from cnoeabs.peaks (9.06, 1.75, 45.67 ppm; 5.31 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 81 + HB2 LEU 80 OK 100 100 - 100 - 4.2=100 Peak 7712 from cnoeabs.peaks (9.06, 1.29, 45.67 ppm; 5.52 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 81 + HB3 LEU 80 OK 100 100 - 100 - 4.2=100 Peak 7714 from cnoeabs.peaks (9.06, 0.78, 27.66 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 81 + QD2 LEU 80 OK 100 100 - 100 - 5.0=100 Peak 7715 from cnoeabs.peaks (9.06, 0.78, 25.50 ppm; 3.88 A): 1 out of 2 assignments used, quality = 0.84: * H LEU 81 + QD1 LEU 80 OK 84 100 - 84 - 5.0=47, 504/3.9=29...(13) H LEU 4 - QD1 LEU 80 lone 3 65 - 4 - 9041/11625=2 Peak 7716 from cnoeabs.peaks (8.86, 5.27, 53.06 ppm; 3.53 A): 1 out of 2 assignments used, quality = 0.98: * H LEU 82 + HA LEU 81 OK 98 100 - 98 - 3.6=96, 7720/3.9=19...(11) H SER 35 - HA LEU 81 lone 4 99 - 4 - 7720/3.9=1, 7719/4.3=1 Peak 7718 from cnoeabs.peaks (8.86, 1.36, 45.78 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 82 + HB3 LEU 81 OK 100 100 - 100 - 4.6=100 Peak 7719 from cnoeabs.peaks (8.86, 1.35, 27.36 ppm; 4.87 A): 1 out of 2 assignments used, quality = 0.89: * H LEU 82 + HG LEU 81 OK 89 100 - 89 - 7720/2.1=45, 7716/4.3=33...(9) H SER 35 - HG LEU 81 lone 9 99 - 8 - 7720/2.1=3, 9334/2.1=2...(4) Peak 7720 from cnoeabs.peaks (8.86, 0.79, 24.93 ppm; 3.62 A): 1 out of 2 assignments used, quality = 0.82: * H LEU 82 + QD1 LEU 81 OK 82 100 - 82 - 4.9=40, 3.6/5538=23...(12) H SER 35 - QD1 LEU 81 lone 5 99 - 5 - 7719/2.1=2, 9334/2.1=1 Peak 7722 from cnoeabs.peaks (8.44, 4.91, 53.13 ppm; 4.06 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 83 + HA LEU 82 OK 100 100 - 100 - 3.6=100 Peak 7724 from cnoeabs.peaks (8.44, 1.74, 44.22 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 83 + HB3 LEU 82 OK 100 100 - 100 - 4.5=100 Peak 7725 from cnoeabs.peaks (8.44, 1.60, 26.76 ppm; 4.59 A): 1 out of 5 assignments used, quality = 0.86: * H GLN 83 + HG LEU 82 OK 86 100 - 86 - 7726/2.1=35, 518/4.3=30...(7) H GLN 62 - HG LEU 82 lone 5 100 - 5 - 7726/2.1=2, 9664/3.0=2 H ASN 10 - HG LEU 82 lone 5 100 - 5 - 7726/2.1=3, 9129/2.1=1 H VAL 32 - HG LEU 82 lone 3 99 - 3 - 7726/2.1=1 H ILE 3 - HG LEU 82 lone 2 97 - 2 - Peak 7726 from cnoeabs.peaks (8.44, 0.82, 23.86 ppm; 4.11 A): 1 out of 5 assignments used, quality = 0.87: * H GLN 83 + QD2 LEU 82 OK 87 100 - 87 - 522=36, 3.6/5580=28...(10) H ASN 10 - QD2 LEU 82 lone 6 100 - 6 - 4.6/396=2, 7725/2.1=1 H GLN 62 - QD2 LEU 82 lone 5 100 - 5 - 7725/2.1=2, 9664/3.1=1 H VAL 32 - QD2 LEU 82 lone 3 99 - 3 - H ILE 3 - QD2 LEU 82 lone 2 97 - 2 - Peak 7728 from cnoeabs.peaks (8.21, 5.26, 54.59 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 84 + HA GLN 83 OK 100 100 - 100 - 3.6=100 Peak 7729 from cnoeabs.peaks (8.21, 2.21, 29.87 ppm; 5.11 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 84 + HB2 GLN 83 OK 100 100 - 100 - 4.4=100 Peak 7731 from cnoeabs.peaks (8.21, 2.34, 33.72 ppm; 4.91 A): 3 out of 4 assignments used, quality = 0.89: * H ASP 84 + HG2 GLN 83 OK 86 100 - 86 - 528=43, 525/3.9=39...(10) H GLU 111 + HG2 GLN 83 OK 11 96 - 12 - 7732/1.8=3, 10817/3.5=3...(4) H LEU 38 + HG2 GLN 83 OK 11 100 - 11 - 7732/1.8=4, 10817/3.5=1...(4) H GLU 89 - HG2 GLN 83 lone 4 73 - 5 - 7732/1.8=1 Peak 7732 from cnoeabs.peaks (8.21, 2.12, 33.72 ppm; 6.20 A): 3 out of 4 assignments used, quality = 0.94: * H ASP 84 + HG3 GLN 83 OK 91 100 - 91 - 525/3.9=47, 528/1.8=43...(9) H LEU 38 + HG3 GLN 83 OK 22 100 - 22 - 7731/1.8=5, 1234=3...(7) H GLU 111 + HG3 GLN 83 OK 16 96 - 16 - 7731/1.8=5, 10817/3.5=4...(4) H GLU 89 - HG3 GLN 83 lone 7 73 - 10 - 4.6/11095=2, 7731/1.8=2 Peak 7733 from cnoeabs.peaks (8.62, 4.50, 54.02 ppm; 3.21 A): 2 out of 8 assignments used, quality = 0.85: * H GLN 85 + HA ASP 84 OK 82 100 - 82 - 3.6=73, 534/3.0=16...(5) H THR 108 + HA ASP 84 OK 14 84 - 16 - ~10023=7, ~10684=4...(4) H LYS 94 - HA ASP 84 lone 1 90 - 1 - H LEU 80 - HA ASP 84 lone 1 73 - 1 - H LYS 49 - HA ASP 84 lone 1 92 - 1 - H ALA 124 - HA ASP 84 lone 0 73 - 0 - H ILE 71 - HA ASP 84 lone 0 61 - 0 - H ASN 8 - HA ASP 84 lone 0 70 - 0 - Peak 7734 from cnoeabs.peaks (8.62, 2.59, 43.77 ppm; 5.64 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 85 + HB2 ASP 84 OK 100 100 - 100 - 4.6=100 Peak 7735 from cnoeabs.peaks (8.62, 2.66, 43.77 ppm; 5.22 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 85 + HB3 ASP 84 OK 100 100 - 100 - 4.6=100 Peak 7736 from cnoeabs.peaks (8.69, 4.33, 56.59 ppm; 3.81 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 86 + HA GLN 85 OK 100 100 - 100 - 3.6=100 Peak 7737 from cnoeabs.peaks (8.69, 2.17, 29.33 ppm; 3.67 A): 4 out of 6 assignments used, quality = 0.87: * H ASP 86 + HB2 GLN 85 OK 80 100 - 80 - 4.6=50, 537/3.0=26...(7) H ASP 110 + HB2 GLN 85 OK 17 99 - 17 - 1928/4.0=4, 7738/1.8=4...(5) H ARG 105 + HB2 GLU 98 OK 11 68 - 17 - 4.2/11455=10, 4.2/11404=7 H ASP 86 + HB2 GLU 98 OK 10 91 - 11 - 538=4, 537/2.9=2...(5) H ARG 105 - HB2 GLN 85 poor 9 81 - 12 - 4.2/11455=4, 4.2/11404=4...(4) H ASP 110 - HB2 GLU 98 lone 1 88 - 1 - Peak 7738 from cnoeabs.peaks (8.69, 2.04, 29.33 ppm; 3.54 A): 5 out of 21 assignments used, quality = 0.89: * H ASP 86 + HB3 GLN 85 OK 79 100 - 79 - 4.6=45, 537/3.0=25...(10) H ASP 110 + HB3 GLN 85 OK 18 99 - 18 - 7737/1.8=4, 1928/4.0=4...(4) H ASP 86 + HB3 GLU 87 OK 15 73 - 20 - 4.7/1575=9, 539=6...(4) H ASP 86 + HB3 GLU 89 OK 13 98 - 14 - 539=4, 539/1.8=3...(5) H ASP 86 + HB2 GLU 89 OK 13 98 - 14 - 539=4, 539/1.8=3...(5) H ASP 86 - HB2 GLU 66 lone 6 99 - 6 - 539=2 H ASP 86 - HB3 GLU 98 lone 6 63 - 9 - 538/1.8=3, 539=2...(4) H ARG 105 - HB3 GLN 85 lone 6 81 - 7 - 7737/1.8=3, 4.2/11060=2 H ASP 110 - HB3 GLU 89 lone 6 96 - 6 - 2180/4.0=2, 4.4/11304=1 H ASP 110 - HB2 GLU 89 lone 6 96 - 6 - 2180/4.0=2, 4.4/11304=1 H ASP 110 - HB2 GLU 66 lone 3 97 - 4 - 4.4/11304=1, 10365/1.8=1 H ARG 105 - HB3 GLU 98 lone 4 44 - 8 - 7737/1.8=3, 4.2/11454=3 H ASP 110 - HB3 GLU 87 lone 2 70 - 3 - H ARG 105 - HB2 GLU 66 lone 1 78 - 1 - H ASP 86 - HB3 GLN 100 lone 1 83 - 1 - H ASP 110 - HB3 GLU 98 lone 1 60 - 1 - H ARG 105 - HB3 GLU 87 lone 1 52 - 1 - H ARG 105 - HB3 GLN 100 lone 1 60 - 1 - H ARG 105 - HB2 GLU 89 lone 1 76 - 1 - H ARG 105 - HB3 GLU 89 lone 1 76 - 1 - H ASP 110 - HB3 GLN 100 lone 0 80 - 1 - Peak 7739 from cnoeabs.peaks (8.69, 2.41, 33.72 ppm; 4.48 A): 2 out of 15 assignments used, quality = 0.95: * H ASP 86 + HG2 GLN 85 OK 77 100 - 77 - 537/3.9=30, 538/3.0=25...(6) H ASP 86 + HG3 GLN 85 OK 77 100 - 77 - 537/3.9=30, 538/3.0=25...(6) H ASP 110 - HG2 GLN 85 OK 29 99 - 30 - 1725=6, 1725/1.8=6...(8) H ASP 110 - HG3 GLN 85 OK 29 98 - 30 - 1725/1.8=6, 1725=6...(10) H ASP 86 - HG3 GLN 62 OK 20 97 - 21 - 540=5, 3.6/5649=4...(8) H ASP 86 - HG2 GLN 62 OK 20 96 - 21 - 540=4, 3.6/5649=4...(8) H ARG 105 - HG2 GLN 85 lone 7 81 - 9 - 7737/3.0=3, 4.2/11406=2...(4) H ARG 105 - HG3 GLN 85 lone 7 80 - 9 - 7737/3.0=3, 4.2/11406=2...(4) H ASP 110 - HG3 GLN 62 lone 5 95 - 5 - H ASP 110 - HG2 GLN 62 lone 5 93 - 5 - H ASP 110 - HG2 GLN 122 lone 3 81 - 3 - 4.4/10356=1 H ASP 86 - HG2 GLN 122 lone 2 84 - 3 - H ARG 105 - HG3 GLN 62 lone 1 75 - 1 - H ARG 105 - HG2 GLN 62 lone 1 73 - 1 - H ARG 105 - HG2 GLN 122 lone 1 61 - 1 - Peak 7740 from cnoeabs.peaks (8.69, 2.40, 33.72 ppm; 4.48 A): 2 out of 15 assignments used, quality = 0.95: * H ASP 86 + HG3 GLN 85 OK 77 100 - 77 - 537/3.9=30, 538/3.0=25...(6) H ASP 86 + HG2 GLN 85 OK 77 100 - 77 - 537/3.9=30, 538/3.0=25...(6) H ASP 110 - HG3 GLN 85 OK 29 99 - 30 - 1725/1.8=6, 1725=5...(10) H ASP 110 - HG2 GLN 85 OK 29 98 - 29 - 1725/1.8=6, 1725=5...(8) H ASP 86 - HG3 GLN 62 OK 19 93 - 21 - 540=5, 3.6/5649=4...(8) H ASP 86 - HG2 GLN 62 OK 19 90 - 21 - 540=4, 3.6/5649=4...(8) H ARG 105 - HG3 GLN 85 lone 7 81 - 9 - 7737/3.0=3, 4.2/11406=2...(4) H ARG 105 - HG2 GLN 85 lone 7 80 - 9 - 7737/3.0=3, 4.2/11406=2...(4) H ASP 110 - HG3 GLN 62 lone 5 91 - 5 - H ASP 110 - HG2 GLN 62 lone 4 87 - 5 - H ASP 110 - HG2 GLN 122 lone 3 81 - 3 - 4.4/10356=1 H ASP 86 - HG2 GLN 122 lone 2 84 - 3 - H ARG 105 - HG3 GLN 62 lone 1 70 - 1 - H ARG 105 - HG2 GLN 62 lone 1 67 - 1 - H ARG 105 - HG2 GLN 122 lone 1 61 - 1 - Peak 7741 from cnoeabs.peaks (8.64, 4.68, 53.51 ppm; 3.01 A): 1 out of 3 assignments used, quality = 0.74: * H GLU 87 + HA ASP 86 OK 74 100 - 74 - 3.6=61, 547/3.0=14...(5) H VAL 104 - HA ASP 86 lone 3 94 - 3 - 7742/3.0=1 H ASN 8 - HA ASP 86 lone 2 96 - 2 - Peak 7742 from cnoeabs.peaks (8.64, 2.93, 40.96 ppm; 4.22 A): 1 out of 3 assignments used, quality = 0.94: * H GLU 87 + HB2 ASP 86 OK 94 100 - 94 - 4.6=77, 545/3.0=41...(8) H VAL 104 - HB2 ASP 86 lone 7 94 - 7 - 3.9/10234=2, 7743/1.8=2 H ASN 8 - HB2 ASP 86 lone 4 96 - 4 - 7743/1.8=2, 7741/3.0=1 Peak 7743 from cnoeabs.peaks (8.64, 2.57, 40.96 ppm; 4.19 A): 1 out of 3 assignments used, quality = 0.93: * H GLU 87 + HB3 ASP 86 OK 93 100 - 93 - 4.6=75, 545/3.0=41...(5) H VAL 104 - HB3 ASP 86 lone 5 94 - 5 - 7742/1.8=3, 7741/3.0=2 H ASN 8 - HB3 ASP 86 lone 4 96 - 4 - 7742/1.8=2, 7741/3.0=1 Peak 7744 from cnoeabs.peaks (8.53, 4.04, 58.52 ppm; 4.39 A): 1 out of 1 assignment used, quality = 1.00: * H ASN 88 + HA GLU 87 OK 100 100 - 100 - 3.6=100 Peak 7745 from cnoeabs.peaks (8.53, 2.09, 29.57 ppm; 4.48 A): 1 out of 3 assignments used, quality = 0.98: * H ASN 88 + HB2 GLU 87 OK 98 100 - 98 - 4.6=90, 7746/1.8=36...(6) H LYS 19 - HB2 GLU 87 lone 6 99 - 6 - 7746/1.8=2, 1930/4.0=1 H ILE 57 - HB2 GLU 87 lone 2 81 - 3 - Peak 7746 from cnoeabs.peaks (8.53, 2.04, 29.57 ppm; 4.24 A): 1 out of 9 assignments used, quality = 0.92: * H ASN 88 + HB3 GLU 87 OK 92 100 - 92 - 4.6=76, 7745/1.8=32...(8) H LYS 19 - HB3 GLU 87 lone 6 99 - 5 - 7745/1.8=2, 1930/4.0=1 H ASN 88 - HB3 GLN 85 lone 4 73 - 6 - 4.6/5709=3, 551=1 H ILE 57 - HB3 GLU 87 lone 2 81 - 3 - H ASN 88 - HB3 GLU 98 lone 1 59 - 2 - H LYS 19 - HB3 GLN 85 lone 1 70 - 1 - H ILE 57 - HB3 GLN 85 lone 0 52 - 1 - H LYS 19 - HB3 GLU 98 lone 0 56 - 1 - H ILE 57 - HB3 GLU 98 lone 0 40 - 1 - Peak 7747 from cnoeabs.peaks (8.53, 2.29, 36.01 ppm; 4.43 A): 2 out of 12 assignments used, quality = 0.99: H ASN 88 + HG3 GLU 87 OK 92 100 - 92 - 5.0=70, 7746/3.0=28...(8) * H ASN 88 + HG2 GLU 87 OK 92 100 - 92 - 5.0=70, 7746/3.0=28...(8) H ASN 88 - HG2 GLU 111 OK 20 90 - 23 - 553=4, 550/3.0=4...(9) H LYS 19 - HG2 GLU 87 lone 6 99 - 5 - 7745/3.0=2, 7746/3.0=2 H LYS 19 - HG3 GLU 87 lone 6 99 - 5 - 7745/3.0=2, 7746/3.0=2 H ASN 88 - HG2 GLU 47 lone 4 68 - 6 - 552=1 H ILE 57 - HG3 GLU 87 lone 2 81 - 3 - H ILE 57 - HG2 GLU 87 lone 2 81 - 3 - H LYS 19 - HG2 GLU 111 lone 1 87 - 1 - H ILE 57 - HG2 GLU 111 lone 1 67 - 1 - H LYS 19 - HG2 GLU 47 lone 1 65 - 1 - H ILE 57 - HG2 GLU 47 lone 0 48 - 1 - Peak 7748 from cnoeabs.peaks (8.53, 2.29, 36.01 ppm; 4.43 A): 2 out of 12 assignments used, quality = 0.99: * H ASN 88 + HG3 GLU 87 OK 92 100 - 92 - 5.0=70, 7746/3.0=28...(8) H ASN 88 + HG2 GLU 87 OK 92 100 - 92 - 5.0=70, 7746/3.0=28...(8) H ASN 88 - HG2 GLU 111 OK 20 90 - 23 - 553=4, 550/3.0=4...(9) H LYS 19 - HG2 GLU 87 lone 6 99 - 5 - 7745/3.0=2, 7746/3.0=2 H LYS 19 - HG3 GLU 87 lone 6 99 - 5 - 7745/3.0=2, 7746/3.0=2 H ASN 88 - HG2 GLU 47 lone 4 68 - 6 - 552=1 H ILE 57 - HG3 GLU 87 lone 2 81 - 3 - H ILE 57 - HG2 GLU 87 lone 2 81 - 3 - H LYS 19 - HG2 GLU 111 lone 1 87 - 1 - H ILE 57 - HG2 GLU 111 lone 1 67 - 1 - H LYS 19 - HG2 GLU 47 lone 1 65 - 1 - H ILE 57 - HG2 GLU 47 lone 0 48 - 1 - Peak 7749 from cnoeabs.peaks (8.22, 4.56, 55.64 ppm; 4.08 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 89 + HA ASN 88 OK 100 100 - 100 - 3.6=100 Peak 7750 from cnoeabs.peaks (8.22, 2.85, 38.17 ppm; 4.43 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 89 + HB2 ASN 88 OK 100 100 - 100 - 4.2=100 Peak 7751 from cnoeabs.peaks (8.22, 2.90, 38.17 ppm; 4.59 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 89 + HB3 ASN 88 OK 100 100 - 100 - 4.2=100 Peak 7752 from cnoeabs.peaks (8.05, 4.15, 58.25 ppm; 3.32 A): 1 out of 7 assignments used, quality = 0.88: * H LEU 90 + HA GLU 89 OK 88 100 - 88 - 3.6=80, 1932/3.0=15...(7) H ASP 109 - HA GLU 89 lone 6 90 - 7 - 1932/3.0=3, 7756/3.8=1 H LYS 65 - HA GLU 89 lone 6 94 - 6 - 1932/3.0=1 H GLN 122 - HA GLU 89 lone 5 97 - 5 - 1932/3.0=1 H THR 9 - HA GLU 89 lone 5 100 - 5 - 1932/3.0=2 H VAL 22 - HA GLU 89 lone 2 92 - 2 - H HIS 131 - HA GLU 89 lone 1 87 - 1 - Peak 7753 from cnoeabs.peaks (8.05, 2.04, 29.24 ppm; 3.40 A): 4 out of 42 assignments used, quality = 0.94: * H LEU 90 + HB2 GLU 89 OK 67 100 - 67 - 4.7=39, 7752/3.0=21...(7) H LEU 90 + HB3 GLU 89 OK 67 100 - 67 - 4.7=39, 7752/3.0=21...(7) H LYS 65 + HB2 GLU 66 OK 28 94 - 30 - 1908/3.7=16, 2089/4.1=7...(5) H GLN 122 + HB2 GLU 66 OK 17 97 - 18 - 1965/4.1=3, 772/1.8=3...(9) H LEU 90 - HB2 GLU 66 lone 10 100 - 10 - 398/3.7=2, 563=2...(5) H GLN 122 - HB3 GLN 85 poor 10 94 - 10 - 1804/3.0=3, 1804/3.0=3...(4) H ASP 109 - HB3 GLN 85 lone 8 85 - 9 - 4.4/10325=4, 691/4.0=2...(4) H ASP 109 - HB2 GLU 89 lone 8 90 - 9 - 1932/4.0=2, 7756/3.0=2...(4) H ASP 109 - HB3 GLU 89 lone 8 90 - 9 - 1932/4.0=2, 7756/3.0=2...(4) H LYS 65 - HB2 GLU 89 lone 7 94 - 8 - 7752/3.0=1, 4.6/4889=1...(4) H LYS 65 - HB3 GLU 89 lone 7 94 - 8 - 7752/3.0=1, 4.6/4889=1...(4) H GLN 122 - HB3 GLU 89 lone 5 97 - 5 - 7752/3.0=1, 1932/4.0=1 H GLN 122 - HB2 GLU 89 lone 5 97 - 5 - 7752/3.0=1, 1932/4.0=1 H THR 9 - HB3 GLU 89 lone 5 100 - 5 - 1932/4.0=1, 7752/3.0=1 H THR 9 - HB2 GLU 89 lone 5 100 - 5 - 1932/4.0=1, 7752/3.0=1 H LYS 65 - HB3 GLN 85 lone 4 90 - 4 - 4.6/4889=1 H ASP 109 - HB2 GLU 66 lone 4 89 - 4 - 4.0/11304=1 H VAL 22 - HB2 GLU 66 lone 4 92 - 4 - H LEU 90 - HB3 GLN 85 lone 3 98 - 3 - H VAL 22 - HB2 GLU 89 lone 3 92 - 3 - H VAL 22 - HB3 GLU 89 lone 3 92 - 3 - H THR 9 - HB2 GLU 66 lone 2 100 - 2 - 1908/3.7=1 H LYS 65 - HB3 GLN 100 lone 2 80 - 3 - H LEU 90 - HB3 GLN 100 lone 2 90 - 2 - H VAL 22 - HB3 GLN 100 lone 1 78 - 1 - H HIS 131 - HB2 GLU 89 lone 1 87 - 1 - H HIS 131 - HB3 GLU 89 lone 1 87 - 1 - H THR 9 - HB3 GLN 85 lone 1 97 - 1 - H LEU 90 - HB3 GLU 98 lone 1 51 - 2 - H VAL 22 - HB3 GLN 85 lone 1 88 - 1 - H GLN 122 - HB3 GLN 100 lone 1 84 - 1 - H LYS 65 - HB3 GLU 98 lone 1 44 - 1 - H ASP 109 - HB3 GLN 100 lone 1 75 - 1 - H ASP 109 - HB3 GLU 98 lone 1 40 - 1 - H THR 9 - HB3 GLN 100 lone 0 89 - 0 - H GLN 122 - HB3 GLU 98 lone 0 46 - 1 - H HIS 131 - HB3 GLN 85 lone 0 83 - 0 - H HIS 131 - HB2 GLU 66 lone 0 87 - 0 - H VAL 22 - HB3 GLU 98 lone 0 42 - 1 - H HIS 131 - HB3 GLN 100 lone 0 73 - 0 - H THR 9 - HB3 GLU 98 lone 0 50 - 0 - H HIS 131 - HB3 GLU 98 lone 0 39 - 0 - Peak 7754 from cnoeabs.peaks (8.05, 2.04, 29.24 ppm; 3.40 A): 4 out of 42 assignments used, quality = 0.94: H LEU 90 + HB2 GLU 89 OK 67 100 - 67 - 4.7=39, 7752/3.0=21...(7) * H LEU 90 + HB3 GLU 89 OK 67 100 - 67 - 4.7=39, 7752/3.0=21...(7) H LYS 65 + HB2 GLU 66 OK 28 94 - 30 - 1908/3.7=16, 2089/4.1=7...(5) H GLN 122 + HB2 GLU 66 OK 17 97 - 18 - 1965/4.1=3, 772/1.8=3...(9) H LEU 90 - HB2 GLU 66 lone 10 100 - 10 - 398/3.7=2, 563=2...(5) H GLN 122 - HB3 GLN 85 poor 10 94 - 10 - 1804/3.0=3, 1804/3.0=3...(4) H ASP 109 - HB3 GLN 85 lone 8 85 - 9 - 4.4/10325=4, 691/4.0=2...(4) H ASP 109 - HB2 GLU 89 lone 8 90 - 9 - 1932/4.0=2, 7756/3.0=2...(4) H ASP 109 - HB3 GLU 89 lone 8 90 - 9 - 1932/4.0=2, 7756/3.0=2...(4) H LYS 65 - HB2 GLU 89 lone 7 94 - 8 - 7752/3.0=1, 4.6/4889=1...(4) H LYS 65 - HB3 GLU 89 lone 7 94 - 8 - 7752/3.0=1, 4.6/4889=1...(4) H GLN 122 - HB3 GLU 89 lone 5 97 - 5 - 7752/3.0=1, 1932/4.0=1 H GLN 122 - HB2 GLU 89 lone 5 97 - 5 - 7752/3.0=1, 1932/4.0=1 H THR 9 - HB3 GLU 89 lone 5 100 - 5 - 1932/4.0=1, 7752/3.0=1 H THR 9 - HB2 GLU 89 lone 5 100 - 5 - 1932/4.0=1, 7752/3.0=1 H LYS 65 - HB3 GLN 85 lone 4 90 - 4 - 4.6/4889=1 H ASP 109 - HB2 GLU 66 lone 4 89 - 4 - 4.0/11304=1 H VAL 22 - HB2 GLU 66 lone 4 92 - 4 - H LEU 90 - HB3 GLN 85 lone 3 98 - 3 - H VAL 22 - HB2 GLU 89 lone 3 92 - 3 - H VAL 22 - HB3 GLU 89 lone 3 92 - 3 - H THR 9 - HB2 GLU 66 lone 2 100 - 2 - 1908/3.7=1 H LYS 65 - HB3 GLN 100 lone 2 80 - 3 - H LEU 90 - HB3 GLN 100 lone 2 90 - 2 - H VAL 22 - HB3 GLN 100 lone 1 78 - 1 - H HIS 131 - HB2 GLU 89 lone 1 87 - 1 - H HIS 131 - HB3 GLU 89 lone 1 87 - 1 - H THR 9 - HB3 GLN 85 lone 1 97 - 1 - H LEU 90 - HB3 GLU 98 lone 1 51 - 2 - H VAL 22 - HB3 GLN 85 lone 1 88 - 1 - H GLN 122 - HB3 GLN 100 lone 1 84 - 1 - H LYS 65 - HB3 GLU 98 lone 1 44 - 1 - H ASP 109 - HB3 GLN 100 lone 1 75 - 1 - H ASP 109 - HB3 GLU 98 lone 1 40 - 1 - H THR 9 - HB3 GLN 100 lone 0 89 - 0 - H GLN 122 - HB3 GLU 98 lone 0 46 - 1 - H HIS 131 - HB3 GLN 85 lone 0 83 - 0 - H HIS 131 - HB2 GLU 66 lone 0 87 - 0 - H VAL 22 - HB3 GLU 98 lone 0 42 - 1 - H HIS 131 - HB3 GLN 100 lone 0 73 - 0 - H THR 9 - HB3 GLU 98 lone 0 50 - 0 - H HIS 131 - HB3 GLU 98 lone 0 39 - 0 - Peak 7755 from cnoeabs.peaks (8.05, 2.26, 36.01 ppm; 4.32 A): 4 out of 35 assignments used, quality = 0.81: * H LEU 90 + HG2 GLU 89 OK 60 100 - 61 - 7752/3.8=26, 560/5.2=15...(6) H LEU 90 + HG3 GLU 92 OK 36 100 - 37 - 3.6/5749=12, 7756/1.8=7...(8) H LEU 90 + HG3 GLU 111 OK 14 96 - 14 - 3.6/5749=4, 4.6/1588=3...(4) H LYS 65 + HG2 GLU 89 OK 11 94 - 11 - 7756/1.8=2, 39=2...(4) H ASP 109 - HG2 GLU 89 poor 9 90 - 10 - 7756/1.8=3, 1932/5.2=2...(5) H THR 9 - HG2 GLU 89 lone 9 100 - 9 - 39=2, 1932/5.2=2...(4) H LYS 65 - HG2 GLU 69 lone 7 73 - 10 - 391/5.1=2, 39=2...(4) H GLN 122 - HG2 GLU 89 lone 7 97 - 7 - 7756/1.8=1, 7752/3.8=1 H LYS 65 - HG3 GLU 111 lone 5 87 - 6 - 4.7/11393=2, 39=1 H GLN 122 - HG3 GLU 92 lone 5 96 - 5 - 2231/4.0=1, 7756/1.8=1 H LYS 65 - HG3 GLU 92 lone 4 93 - 5 - H VAL 22 - HG2 GLU 89 lone 4 92 - 4 - H ASP 109 - HG3 GLU 92 lone 4 89 - 4 - 7756/1.8=1 H LEU 90 - HG2 GLU 69 lone 3 83 - 4 - H THR 9 - HG3 GLU 92 lone 3 99 - 3 - H LEU 90 - HG2 GLU 103 lone 3 64 - 4 - H ASP 109 - HG3 GLU 111 lone 2 82 - 3 - 10352/3.0=2 H THR 9 - HG3 GLU 111 lone 2 95 - 2 - H VAL 22 - HG3 GLU 92 lone 2 91 - 2 - H GLN 122 - HG3 GLU 111 lone 2 90 - 2 - H GLN 122 - HG2 GLU 69 lone 2 77 - 2 - H GLN 122 - HG2 GLU 103 lone 2 58 - 3 - H HIS 131 - HG2 GLU 89 lone 1 87 - 2 - H THR 9 - HG2 GLU 69 lone 1 82 - 1 - H LYS 65 - HG2 GLU 103 lone 1 55 - 2 - H VAL 22 - HG2 GLU 69 lone 1 71 - 1 - H ASP 109 - HG2 GLU 69 lone 1 68 - 1 - H ASP 109 - HG2 GLU 103 lone 1 51 - 2 - H HIS 131 - HG3 GLU 92 lone 1 86 - 1 - H VAL 22 - HG3 GLU 111 lone 1 84 - 1 - H THR 9 - HG2 GLU 103 lone 1 63 - 1 - H HIS 131 - HG3 GLU 111 lone 1 79 - 1 - H HIS 131 - HG2 GLU 69 lone 0 66 - 1 - H VAL 22 - HG2 GLU 103 lone 0 53 - 1 - H HIS 131 - HG2 GLU 103 lone 0 49 - 1 - Peak 7756 from cnoeabs.peaks (8.05, 2.31, 36.01 ppm; 4.19 A): 3 out of 35 assignments used, quality = 0.75: * H LEU 90 + HG3 GLU 89 OK 57 100 - 57 - 7752/3.8=25, 560/5.2=14...(6) H LEU 90 + HG2 GLU 92 OK 32 97 - 33 - 3.6/5750=9, 4.6/5769=7...(8) H ASP 109 + HG3 GLU 89 OK 14 90 - 16 - 4.0/10362=5, 1932/5.2=2...(6) H LYS 65 - HG3 GLU 89 poor 10 94 - 10 - 7755/1.8=2, 7752/3.8=2...(5) H THR 9 - HG3 GLU 89 lone 7 100 - 7 - 39/1.8=2, 1932/5.2=2, 7752/3.8=1 H GLN 122 - HG3 GLU 89 lone 6 97 - 6 - 7752/3.8=1, 7755/1.8=1 H ASP 109 - HG2 GLU 92 lone 6 84 - 7 - 4.0/10362=2 H GLN 122 - HG2 GLU 92 lone 4 93 - 5 - 2231/4.0=1 H ASP 109 - HG3 GLU 13 lone 4 89 - 4 - 4.0/10362=2, 4.4/10326=1 H LEU 90 - HG3 GLU 13 lone 4 100 - 4 - H LYS 65 - HG2 GLU 92 lone 4 89 - 4 - H VAL 22 - HG3 GLU 89 lone 3 92 - 4 - H LEU 90 - HG3 GLU 48 lone 2 90 - 2 - H THR 9 - HG2 GLU 92 lone 2 97 - 2 - H LYS 65 - HG3 GLU 13 lone 2 94 - 2 - H ASP 109 - HG3 GLU 48 lone 2 76 - 2 - H LEU 90 - HG3 GLU 103 lone 2 47 - 3 - H VAL 22 - HG2 GLU 92 lone 1 87 - 2 - H GLN 122 - HG3 GLU 13 lone 1 97 - 1 - H HIS 131 - HG3 GLU 89 lone 1 87 - 1 - H ASP 109 - HG3 GLU 103 lone 1 37 - 4 - 4.0/10362=2 H LYS 65 - HG3 GLU 48 lone 1 81 - 1 - H VAL 22 - HG3 GLU 13 lone 1 92 - 1 - H GLN 122 - HG3 GLU 103 lone 1 42 - 2 - H HIS 131 - HG2 GLU 92 lone 1 82 - 1 - H THR 9 - HG3 GLU 13 lone 1 100 - 1 - H THR 9 - HG3 GLU 48 lone 1 89 - 1 - H GLN 122 - HG3 GLU 48 lone 1 85 - 1 - H VAL 22 - HG3 GLU 48 lone 1 78 - 1 - H HIS 131 - HG3 GLU 13 lone 1 87 - 1 - H LYS 65 - HG3 GLU 103 lone 1 40 - 1 - H HIS 131 - HG3 GLU 48 lone 0 73 - 1 - H THR 9 - HG3 GLU 103 lone 0 46 - 1 - H VAL 22 - HG3 GLU 103 lone 0 38 - 1 - H HIS 131 - HG3 GLU 103 lone 0 35 - 1 - Peak 7757 from cnoeabs.peaks (7.94, 4.21, 56.94 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 91 + HA LEU 90 OK 100 100 - 100 - 3.6=100 Peak 7758 from cnoeabs.peaks (7.94, 1.78, 42.46 ppm; 4.79 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 91 + HB2 LEU 90 OK 100 100 - 100 - 4.6=100 Peak 7759 from cnoeabs.peaks (7.94, 1.72, 42.46 ppm; 4.94 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 91 + HB3 LEU 90 OK 100 100 - 100 - 4.6=100 Peak 7760 from cnoeabs.peaks (7.94, 1.64, 26.77 ppm; 5.61 A): 1 out of 15 assignments used, quality = 0.95: * H GLU 91 + HG LEU 90 OK 95 100 - 95 - 571/2.1=41, 568/3.0=41...(8) H GLU 91 - HG LEU 64 OK 16 99 - 16 - 570=3, 570/3.0=3...(5) H GLY 101 - HG LEU 64 OK 13 98 - 13 - ~9694=3, ~8100=2...(5) H GLY 75 - HG LEU 64 lone 6 75 - 8 - 4.6/9830=3, 467/2.1=1 H GLY 125 - HG LEU 90 lone 5 94 - 5 - 1933/5.3=2 H GLU 91 - HG LEU 114 lone 4 73 - 5 - 570=1 H GLY 101 - HG LEU 114 lone 3 70 - 5 - 4.7/4772=1 H GLY 75 - HG LEU 114 lone 3 49 - 7 - 4.6/9830=2 H GLY 101 - HG LEU 90 lone 3 99 - 3 - 1933/5.3=1 HD21 ASN 33 - HG LEU 90 lone 2 100 - 2 - 1933/5.3=1 H GLY 75 - HG LEU 90 lone 2 77 - 2 - H GLY 125 - HG LEU 64 lone 1 92 - 2 - HD21 ASN 33 - HG LEU 64 lone 1 99 - 1 - HD21 ASN 33 - HG LEU 114 lone 1 73 - 1 - H GLY 125 - HG LEU 114 lone 1 64 - 1 - Peak 7761 from cnoeabs.peaks (7.94, 0.90, 24.86 ppm; 4.66 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 91 + QD1 LEU 90 OK 100 100 - 100 - 4.6=100 Peak 7762 from cnoeabs.peaks (7.94, 0.88, 24.74 ppm; 4.68 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 91 + QD2 LEU 90 OK 100 100 - 100 - 4.6=100 Peak 7763 from cnoeabs.peaks (8.09, 4.07, 59.13 ppm; 3.66 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 92 + HA GLU 91 OK 100 100 - 100 - 3.6=100 Peak 7764 from cnoeabs.peaks (8.09, 2.13, 28.97 ppm; 3.49 A): 6 out of 12 assignments used, quality = 0.90: * H GLU 92 + HB2 GLU 91 OK 76 100 - 76 - 4.6=42, 574/3.0=21...(11) H GLU 92 + HB2 GLU 119 OK 19 90 - 20 - 575=5, 1606/1.8=4...(4) H PHE 93 + HB2 GLU 91 OK 18 77 - 24 - 4.6/575=7, 7765/1.8=5...(8) H GLU 92 + HB3 GLU 119 OK 16 78 - 20 - 575=5, 575/1.8=4...(4) H GLU 128 + HB2 GLU 91 OK 12 99 - 11 - 2263/3.0=3, 7765/1.8=3...(5) H SER 99 + HB2 GLU 91 OK 11 90 - 13 - 2178/3.0=3, 7765/1.8=3...(5) H PHE 93 - HB2 GLU 119 lone 4 64 - 6 - 4.6/575=2, 582/1.8=1 H PHE 93 - HB3 GLU 119 lone 3 53 - 5 - 4.6/575=2, 582/1.8=1, 582=1 H GLU 128 - HB2 GLU 119 lone 1 88 - 1 - H SER 99 - HB2 GLU 119 lone 0 76 - 1 - H GLU 128 - HB3 GLU 119 lone 0 76 - 1 - H SER 99 - HB3 GLU 119 lone 0 64 - 1 - Peak 7765 from cnoeabs.peaks (8.09, 2.07, 28.97 ppm; 3.44 A): 5 out of 12 assignments used, quality = 0.85: * H GLU 92 + HB3 GLU 91 OK 74 100 - 75 - 4.6=41, 3.6/5830=22...(10) H PHE 93 + HB3 GLU 91 OK 19 77 - 24 - 4.6/576=6, 1934/4.0=4...(9) H SER 99 + HB3 GLU 91 OK 12 90 - 13 - 2178/3.0=3, 7764/1.8=3...(6) H GLU 92 + HB2 GLU 13 OK 11 63 - 17 - 576=4, 1607/3.0=3...(6) H GLU 128 + HB3 GLU 91 OK 11 99 - 11 - 2263/3.0=3, 7764/1.8=3...(5) H PHE 93 - HB2 GLU 13 lone 2 41 - 6 - 583/3.0=1, 4.6/576=1, 3.6/2608=1 H SER 99 - HB2 GLU 13 lone 2 50 - 3 - H GLU 92 - HB3 GLU 112 lone 1 41 - 2 - H GLU 128 - HB2 GLU 13 lone 0 61 - 1 - H SER 99 - HB3 GLU 112 lone 0 33 - 1 - H PHE 93 - HB3 GLU 112 lone 0 26 - 1 - H GLU 128 - HB3 GLU 112 lone 0 40 - 0 - Peak 7766 from cnoeabs.peaks (8.09, 2.42, 35.05 ppm; 6.10 A): 4 out of 4 assignments used, quality = 0.95: * H GLU 92 + HG2 GLU 91 OK 88 100 - 88 - 3.6/5821=41, 4.6/1601=34...(14) H GLU 128 + HG2 GLU 91 OK 25 99 - 25 - 7767/1.8=7, 2263/4.2=7...(5) H SER 99 + HG2 GLU 91 OK 24 90 - 26 - 2178/4.2=7, 7767/1.8=7...(6) H PHE 93 + HG2 GLU 91 OK 23 77 - 30 - 1934/5.2=8, 7765/3.0=7...(6) Peak 7767 from cnoeabs.peaks (8.09, 2.29, 35.05 ppm; 5.19 A): 4 out of 4 assignments used, quality = 0.91: * H GLU 92 + HG3 GLU 91 OK 83 100 - 83 - 4.6/5834=31, 4.6/5828=31...(15) H GLU 128 + HG3 GLU 91 OK 20 99 - 20 - 2263/4.2=5, 7766/1.8=5...(5) H PHE 93 + HG3 GLU 91 OK 19 77 - 25 - 1934/5.2=7, 7765/3.0=7...(5) H SER 99 + HG3 GLU 91 OK 19 90 - 21 - 2178/4.2=6, 7766/1.8=4...(5) Peak 7768 from cnoeabs.peaks (8.10, 4.03, 59.25 ppm; 3.70 A): 2 out of 2 assignments used, quality = 1.00: * H PHE 93 + HA GLU 92 OK 100 100 - 100 - 3.6=100 H GLU 92 + HA GLU 92 OK 77 77 - 100 - 3.0=100 Peak 7769 from cnoeabs.peaks (8.10, 2.05, 28.93 ppm; 3.27 A): 2 out of 18 assignments used, quality = 0.87: * H PHE 93 + HB2 GLU 92 OK 64 100 - 64 - 4.6=35, 582/1.8=19...(7) H GLU 92 + HB2 GLU 92 OK 63 77 - 82 - 4.0=54, 3.0/5854=13...(23) H SER 99 - HB3 GLN 100 poor 9 56 - 16 - 1942/4.0=11, 631=3 H SER 99 - HB2 GLU 92 lone 6 99 - 6 - 631=1, 2179/8180=1 H GLU 92 - HB2 GLU 13 poor 5 35 - 13 - 1607/3.0=2, 576=2...(6) H PHE 93 - HB2 GLU 13 lone 3 54 - 6 - 583/3.0=2, 581=2, 3.6/5854=1 H SER 99 - HB2 GLU 13 lone 2 52 - 4 - H GLU 128 - HB2 GLU 92 lone 2 61 - 3 - H ALA 113 - HB2 GLU 92 lone 1 77 - 2 - H GLU 92 - HB3 GLN 100 lone 1 38 - 3 - H PHE 93 - HB3 GLN 100 lone 1 58 - 2 - H ALA 113 - HB3 GLN 100 lone 1 38 - 2 - H VAL 117 - HB2 GLU 92 lone 1 65 - 1 - H VAL 117 - HB3 GLN 100 lone 0 31 - 1 - H ALA 113 - HB2 GLU 13 lone 0 35 - 1 - H GLU 128 - HB3 GLN 100 lone 0 29 - 1 - H VAL 117 - HB2 GLU 13 lone 0 28 - 1 - H GLU 128 - HB2 GLU 13 lone 0 26 - 0 - Peak 7770 from cnoeabs.peaks (8.10, 2.11, 28.93 ppm; 3.21 A): 4 out of 18 assignments used, quality = 0.87: H GLU 92 + HB3 GLU 92 OK 60 77 - 78 - 4.0=51, 7769/1.8=13...(18) * H PHE 93 + HB3 GLU 92 OK 60 100 - 60 - 4.6=33, 581/1.8=17...(7) H GLU 92 + HB3 GLU 119 OK 10 66 - 16 - 1606=3, 575/1.8=3...(4) H VAL 117 + HB3 GLU 119 OK 10 56 - 18 - 3.6/8272=7, 2215/4.0=6...(4) H GLU 92 - HB2 GLU 119 poor 9 57 - 15 - 1606=3, 1606/1.8=2, 576/3.0=1 H VAL 117 - HB2 GLU 119 poor 8 47 - 18 - 3.6/8272=7, 2215/4.0=6...(4) H PHE 93 - HB3 GLU 119 lone 7 93 - 7 - 582=3, 582/1.8=2, 4.6/1606=1 H PHE 93 - HB2 GLU 119 lone 6 82 - 7 - 582=2, 582/1.8=2, 4.6/1606=1 H SER 99 - HB3 GLU 92 lone 4 99 - 4 - 7769/1.8=1 H ALA 113 - HB3 GLU 119 lone 3 66 - 5 - 2215/4.0=2 H ALA 113 - HB2 GLU 119 lone 2 57 - 4 - 2215/4.0=2 H GLU 128 - HB3 GLU 92 lone 2 61 - 3 - H ALA 113 - HB3 GLU 92 lone 1 77 - 2 - H VAL 117 - HB3 GLU 92 lone 1 65 - 1 - H SER 99 - HB3 GLU 119 lone 0 91 - 0 - H SER 99 - HB2 GLU 119 lone 0 80 - 0 - H GLU 128 - HB3 GLU 119 lone 0 52 - 0 - H GLU 128 - HB2 GLU 119 lone 0 44 - 0 - Peak 7771 from cnoeabs.peaks (8.10, 2.32, 36.01 ppm; 3.68 A): 4 out of 30 assignments used, quality = 0.93: H GLU 92 + HG2 GLU 92 OK 62 77 - 81 - 4.8=46, 4.0/5863=13...(22) * H PHE 93 + HG2 GLU 92 OK 56 100 - 56 - 582/3.0=17, 581/3.0=15...(7) H PHE 93 + HG3 GLU 89 OK 39 97 - 40 - 583=10, 584/1.8=9...(9) H GLU 92 + HG3 GLU 89 OK 33 72 - 46 - 1607=9, 8178/3.8=8...(12) H GLU 92 - HG3 GLU 13 OK 16 70 - 23 - 1607=4, ~2625=4...(8) H PHE 93 - HG3 GLU 13 OK 12 96 - 13 - 583=3, 3.6/5851=2...(6) H SER 99 - HG3 GLU 89 lone 7 96 - 7 - 2179/3.8=3, 631/3.0=1, 631/3.0=1 H PHE 93 - HG3 GLU 103 lone 6 64 - 9 - 583=2, 584/1.8=2...(4) H GLU 92 - HG3 GLU 103 poor 6 42 - 13 - 1607=2, 1608/1.8=2...(5) H PHE 93 - HG3 GLU 48 lone 4 99 - 4 - 583=1 H SER 99 - HG2 GLU 92 lone 4 99 - 4 - 7769/3.0=1 H SER 99 - HG3 GLU 13 lone 3 94 - 4 - H GLU 92 - HG3 GLU 48 lone 3 75 - 4 - H ALA 113 - HG3 GLU 89 lone 2 72 - 3 - H ALA 113 - HG2 GLU 92 lone 2 77 - 3 - H GLU 128 - HG2 GLU 92 lone 2 61 - 3 - H ALA 113 - HG3 GLU 48 lone 2 75 - 2 - H GLU 128 - HG3 GLU 89 lone 2 57 - 3 - 8178/3.8=1 H ALA 113 - HG3 GLU 13 lone 1 70 - 1 - H SER 99 - HG3 GLU 48 lone 1 98 - 1 - H VAL 117 - HG2 GLU 92 lone 1 65 - 1 - H VAL 117 - HG3 GLU 89 lone 1 61 - 1 - H ALA 113 - HG3 GLU 103 lone 1 42 - 2 - H VAL 117 - HG3 GLU 48 lone 1 64 - 1 - H SER 99 - HG3 GLU 103 lone 1 62 - 1 - H VAL 117 - HG3 GLU 13 lone 0 58 - 1 - H GLU 128 - HG3 GLU 48 lone 0 60 - 1 - H GLU 128 - HG3 GLU 13 lone 0 55 - 1 - H VAL 117 - HG3 GLU 103 lone 0 34 - 1 - H GLU 128 - HG3 GLU 103 lone 0 32 - 0 - Peak 7772 from cnoeabs.peaks (8.10, 2.27, 36.01 ppm; 3.86 A): 4 out of 30 assignments used, quality = 0.96: H GLU 92 + HG3 GLU 92 OK 67 77 - 87 - 4.8=53, 4.0/5858=17...(24) * H PHE 93 + HG3 GLU 92 OK 61 100 - 61 - 582/3.0=18, 581/3.0=16...(7) H PHE 93 + HG2 GLU 89 OK 45 100 - 45 - 584=11, 583/1.8=10...(9) H GLU 92 + HG2 GLU 89 OK 40 76 - 53 - 1608=10, 8178/3.8=9...(14) H GLU 92 - HG2 GLU 69 OK 12 64 - 20 - 1608=3, ~8133=2...(8) H ALA 113 - HG3 GLU 111 OK 10 74 - 14 - 4.6/708=7, ~10423=2...(4) H PHE 93 - HG2 GLU 69 lone 9 90 - 10 - 584=2, 4.6/1608=2...(5) H SER 99 - HG2 GLU 89 lone 8 99 - 8 - 2179/3.8=3, 631/3.0=1, 631/3.0=1 H PHE 93 - HG3 GLU 111 lone 6 99 - 6 - 584=2 H PHE 93 - HG2 GLU 103 lone 6 57 - 10 - 583/1.8=2, 584=2...(4) H GLU 92 - HG3 GLU 111 lone 6 74 - 8 - 1608=1 H GLU 92 - HG2 GLU 103 poor 5 37 - 14 - 1608=2, 1607/1.8=2...(6) H SER 99 - HG3 GLU 92 lone 5 99 - 5 - 7769/3.0=1 H SER 99 - HG2 GLU 69 lone 3 89 - 3 - H GLU 128 - HG3 GLU 92 lone 2 61 - 4 - H ALA 113 - HG2 GLU 89 lone 2 76 - 3 - H ALA 113 - HG3 GLU 92 lone 2 77 - 3 - H GLU 128 - HG2 GLU 89 lone 2 61 - 3 - 8178/3.8=1 H ALA 113 - HG2 GLU 69 lone 2 64 - 3 - H VAL 117 - HG3 GLU 111 lone 2 62 - 3 - 1955/708=1 H SER 99 - HG3 GLU 111 lone 1 97 - 1 - H VAL 117 - HG3 GLU 92 lone 1 65 - 1 - H VAL 117 - HG2 GLU 89 lone 1 65 - 1 - H GLU 128 - HG2 GLU 69 lone 1 50 - 1 - H ALA 113 - HG2 GLU 103 lone 1 37 - 2 - H SER 99 - HG2 GLU 103 lone 1 56 - 1 - H VAL 117 - HG2 GLU 69 lone 1 53 - 1 - H GLU 128 - HG3 GLU 111 lone 0 58 - 1 - H VAL 117 - HG2 GLU 103 lone 0 31 - 1 - H GLU 128 - HG2 GLU 103 lone 0 28 - 1 - Peak 7773 from cnoeabs.peaks (8.61, 4.34, 60.45 ppm; 5.72 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 94 + HA PHE 93 OK 100 100 - 100 - 3.6=100 Peak 7774 from cnoeabs.peaks (8.61, 3.29, 38.99 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 94 + HB2 PHE 93 OK 100 100 - 100 - 4.3=100 Peak 7775 from cnoeabs.peaks (8.61, 3.04, 38.99 ppm; 4.58 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 94 + HB3 PHE 93 OK 100 100 - 100 - 4.3=100 Peak 7779 from cnoeabs.peaks (8.16, 3.62, 60.08 ppm; 4.89 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 95 + HA LYS 94 OK 100 100 - 100 - 3.6=100 Peak 7780 from cnoeabs.peaks (8.16, 2.07, 32.47 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 95 + HB2 LYS 94 OK 100 100 - 100 - 4.4=100 Peak 7781 from cnoeabs.peaks (8.16, 1.74, 32.47 ppm; 5.12 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 95 + HB3 LYS 94 OK 100 100 - 100 - 4.4=100 Peak 7784 from cnoeabs.peaks (8.16, 1.54, 30.10 ppm; 6.20 A): 2 out of 4 assignments used, quality = 0.99: * H ARG 95 + HD2 LYS 94 OK 92 100 - 93 - 598/3.0=45, 596/3.6=38...(7) H ARG 95 + HD3 LYS 94 OK 92 100 - 93 - 598/3.0=45, 596/3.6=38...(7) H LEU 45 - HD2 LYS 94 lone 7 100 - 7 - 1937/6.3=3 H LEU 45 - HD3 LYS 94 lone 7 100 - 7 - 1937/6.3=3 Peak 7785 from cnoeabs.peaks (8.16, 1.54, 30.10 ppm; 6.20 A): 2 out of 4 assignments used, quality = 0.99: H ARG 95 + HD2 LYS 94 OK 92 100 - 93 - 598/3.0=45, 596/3.6=38...(7) * H ARG 95 + HD3 LYS 94 OK 92 100 - 93 - 598/3.0=45, 596/3.6=38...(7) H LEU 45 - HD2 LYS 94 lone 7 100 - 7 - 1937/6.3=3 H LEU 45 - HD3 LYS 94 lone 7 100 - 7 - 1937/6.3=3 Peak 7788 from cnoeabs.peaks (7.79, 4.15, 59.10 ppm; 4.34 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 96 + HA ARG 95 OK 100 100 - 100 - 3.6=100 Peak 7789 from cnoeabs.peaks (7.79, 1.90, 29.82 ppm; 4.44 A): 1 out of 6 assignments used, quality = 0.97: * H LYS 96 + HB2 ARG 95 OK 97 100 - 97 - 4.6=89, 7790/1.8=24...(13) H LYS 40 - HB2 ARG 95 OK 41 97 - 43 - 7790/1.8=10, 7792/3.0=9...(10) H GLU 66 - HB2 ARG 95 OK 26 70 - 38 - ~8202=6, 7790/1.8=6...(12) H LYS 96 - HB2 GLU 128 lone 8 99 - 8 - ~8329=2, 2.9/8327=1 H GLU 66 - HB2 GLU 128 lone 4 66 - 5 - 2090/3.0=2, 2.9/8201=1 H LYS 40 - HB2 GLU 128 lone 3 94 - 3 - Peak 7790 from cnoeabs.peaks (7.79, 1.97, 29.82 ppm; 4.25 A): 2 out of 6 assignments used, quality = 0.96: * H LYS 96 + HB3 ARG 95 OK 93 100 - 93 - 4.6=78, 1938/3.9=21...(14) H LYS 40 + HB3 ARG 95 OK 40 97 - 41 - 7789/1.8=8, 7792/3.0=8...(11) H GLU 66 - HB3 ARG 95 OK 24 70 - 35 - 2.9/8202=9, 7789/1.8=5...(12) H GLU 66 - HB VAL 22 lone 1 36 - 3 - H LYS 96 - HB VAL 22 lone 1 63 - 1 - H LYS 40 - HB VAL 22 lone 1 57 - 1 - Peak 7791 from cnoeabs.peaks (7.79, 1.88, 27.31 ppm; 5.01 A): 3 out of 3 assignments used, quality = 0.96: * H LYS 96 + HG2 ARG 95 OK 88 100 - 88 - 4.6/6035=25, 607=24...(16) H LYS 40 + HG2 ARG 95 OK 49 97 - 51 - 7792/1.8=13, 7790/3.0=10...(14) H GLU 66 + HG2 ARG 95 OK 32 70 - 46 - 7792/1.8=8, 7790/3.0=6...(17) Peak 7792 from cnoeabs.peaks (7.79, 1.68, 27.31 ppm; 4.82 A): 3 out of 3 assignments used, quality = 0.94: * H LYS 96 + HG3 ARG 95 OK 83 100 - 83 - 607/1.8=24, 7790/3.0=22...(16) H LYS 40 + HG3 ARG 95 OK 48 97 - 50 - 7791/1.8=11, 7790/3.0=10...(13) H GLU 66 + HG3 ARG 95 OK 29 70 - 42 - 7791/1.8=7, 7790/3.0=6...(15) Peak 7794 from cnoeabs.peaks (7.79, 3.22, 43.41 ppm; 6.20 A): 4 out of 6 assignments used, quality = 1.00: * H LYS 96 + HD3 ARG 95 OK 86 100 - 86 - 7790/3.9=26, 1938/5.9=25...(12) H LYS 96 + HD2 ARG 95 OK 86 100 - 86 - 7790/3.9=26, 1938/5.9=25...(12) H LYS 40 + HD3 ARG 95 OK 51 97 - 53 - 7792/2.9=14, 7791/2.9=13...(9) H LYS 40 + HD2 ARG 95 OK 51 97 - 53 - 7792/2.9=14, 7791/2.9=13...(9) H GLU 66 - HD3 ARG 95 OK 31 70 - 45 - 7791/2.9=9, 7792/2.9=8...(11) H GLU 66 - HD2 ARG 95 OK 31 69 - 45 - 7791/2.9=9, 7792/2.9=8...(11) Peak 7795 from cnoeabs.peaks (7.83, 4.07, 58.93 ppm; 3.49 A): 1 out of 15 assignments used, quality = 0.97: * H ILE 97 + HA LYS 96 OK 97 100 - 97 - 3.6=94, 1939/2.9=17...(10) H LYS 39 - HA LYS 96 OK 39 100 - 40 - 1939/2.9=11, 7797/3.0=9...(9) H LYS 39 - HA GLU 37 OK 16 57 - 28 - 1883/3.6=14, 2028/2.9=8...(6) H VAL 78 - HA LYS 96 OK 11 100 - 11 - 7797/3.0=3, 1939/2.9=2...(5) H TYR 27 - HA LYS 96 poor 9 81 - 11 - 11346=5, 7797/3.0=2, 1939/2.9=2 H ILE 97 - HA GLU 37 poor 6 57 - 11 - 1883/3.6=5, 2028/2.9=3 H VAL 78 - HA GLU 37 lone 3 57 - 5 - 2028/2.9=2, 1883/3.6=2 H ILE 97 - HA GLU 91 lone 2 70 - 2 - H TYR 27 - HA GLU 37 lone 1 39 - 4 - 11346=2 H LYS 39 - HA GLU 91 lone 1 70 - 2 - HE21 GLN 62 - HA LYS 96 lone 1 73 - 1 - H TYR 27 - HA GLU 91 lone 0 49 - 1 - HE21 GLN 62 - HA GLU 37 lone 0 35 - 1 - H VAL 78 - HA GLU 91 lone 0 70 - 0 - HE21 GLN 62 - HA GLU 91 lone 0 44 - 1 - Peak 7796 from cnoeabs.peaks (7.83, 1.90, 32.07 ppm; 3.38 A): 6 out of 50 assignments used, quality = 0.90: * H ILE 97 + HB2 LYS 96 OK 70 100 - 70 - 4.6=39, 7797/1.8=20...(8) H LYS 39 + HB2 LYS 96 OK 39 100 - 39 - 7797/1.8=12, 1939/4.1=7...(9) H ILE 97 + HB3 LYS 44 OK 17 97 - 17 - 3.6/6073=3, 613=3...(7) H VAL 78 + HB2 LYS 96 OK 14 100 - 13 - 7797/1.8=3, 1516/2.9=2...(6) H ILE 97 + HB2 LYS 44 OK 14 83 - 17 - 3.6/6073=3, 613=3...(7) H LYS 39 + HB3 LYS 44 OK 11 97 - 11 - 7798/2.9=2, 613=2...(6) H LYS 39 - HB2 LYS 44 poor 9 82 - 11 - 7798/2.9=2, 613=2...(6) H TYR 27 - HB2 LYS 96 poor 8 81 - 10 - 11346/3.0=4, 7797/1.8=2 H ILE 97 - HB3 LYS 43 lone 5 97 - 5 - H LYS 39 - HB3 LYS 43 lone 5 96 - 5 - H ILE 97 - HB2 LYS 43 lone 5 90 - 5 - H LYS 39 - HB2 LYS 43 lone 5 90 - 5 - H ILE 97 - HB2 LYS 73 lone 4 93 - 4 - H ILE 97 - HB3 LYS 73 lone 4 90 - 4 - H ILE 97 - HB2 LYS 20 lone 4 74 - 5 - H ILE 97 - HB3 LYS 20 lone 4 74 - 5 - H LYS 39 - HB3 LYS 20 lone 3 74 - 5 - H LYS 39 - HB2 LYS 20 lone 3 74 - 5 - H LYS 39 - HB2 LYS 73 lone 3 93 - 3 - H LYS 39 - HB3 LYS 73 lone 3 90 - 3 - H TYR 27 - HB3 LYS 44 lone 3 75 - 3 - 11346/3.0=2 H VAL 78 - HB3 LYS 44 lone 2 97 - 2 - H TYR 27 - HB2 LYS 44 lone 2 60 - 3 - 11346/3.0=2 H VAL 78 - HB2 LYS 44 lone 2 83 - 2 - H LYS 39 - HB3 LYS 123 lone 1 43 - 3 - H ILE 97 - HB3 LYS 123 lone 1 43 - 3 - HE21 GLN 62 - HB2 LYS 96 lone 1 73 - 1 - H VAL 78 - HB3 LYS 43 lone 1 97 - 1 - H VAL 78 - HB2 LYS 43 lone 1 90 - 1 - H VAL 78 - HB2 LYS 73 lone 1 93 - 1 - H VAL 78 - HB3 LYS 73 lone 1 90 - 1 - H VAL 78 - HB3 LYS 20 lone 1 74 - 1 - H VAL 78 - HB2 LYS 20 lone 1 74 - 1 - H TYR 27 - HB3 LYS 43 lone 0 74 - 1 - H TYR 27 - HB2 LYS 43 lone 0 67 - 1 - H TYR 27 - HB2 LYS 73 lone 0 70 - 1 - H VAL 78 - HB3 LYS 123 lone 0 43 - 1 - H TYR 27 - HB3 LYS 73 lone 0 67 - 1 - HE21 GLN 62 - HB3 LYS 44 lone 0 68 - 0 - HE21 GLN 62 - HB3 LYS 43 lone 0 67 - 0 - HE21 GLN 62 - HB2 LYS 44 lone 0 54 - 0 - HE21 GLN 62 - HB2 LYS 73 lone 0 63 - 0 - HE21 GLN 62 - HB2 LYS 43 lone 0 60 - 0 - H TYR 27 - HB3 LYS 20 lone 0 53 - 0 - H TYR 27 - HB2 LYS 20 lone 0 53 - 0 - HE21 GLN 62 - HB3 LYS 73 lone 0 60 - 0 - H TYR 27 - HB3 LYS 123 lone 0 29 - 1 - HE21 GLN 62 - HB3 LYS 20 lone 0 47 - 0 - HE21 GLN 62 - HB2 LYS 20 lone 0 47 - 0 - HE21 GLN 62 - HB3 LYS 123 lone 0 26 - 0 - Peak 7797 from cnoeabs.peaks (7.83, 1.97, 32.07 ppm; 3.20 A): 3 out of 5 assignments used, quality = 0.78: * H ILE 97 + HB3 LYS 96 OK 61 100 - 61 - 4.6=33, 7795/3.0=12...(11) H LYS 39 + HB3 LYS 96 OK 37 100 - 37 - 614=11, 1939/4.1=6...(9) H VAL 78 + HB3 LYS 96 OK 10 100 - 10 - 1516/2.9=2, 7796/1.8=2...(5) H TYR 27 - HB3 LYS 96 lone 7 81 - 8 - 11346/3.0=4, 7796/1.8=1 HE21 GLN 62 - HB3 LYS 96 lone 1 73 - 1 - Peak 7798 from cnoeabs.peaks (7.83, 1.44, 24.91 ppm; 4.46 A): 2 out of 10 assignments used, quality = 0.96: * H ILE 97 + HG2 LYS 96 OK 91 100 - 91 - 5.0=72, 7797/2.9=23...(11) H LYS 39 + HG2 LYS 96 OK 52 100 - 52 - 7797/2.9=14, 1939/5.1=9...(10) H ILE 97 - HG3 LYS 44 OK 32 100 - 32 - 3.6/6075=10, 4.5/1639=6...(9) H LYS 39 - HG3 LYS 44 OK 27 100 - 27 - 615=3, 7799/1.8=3...(14) H VAL 78 - HG2 LYS 96 OK 20 100 - 20 - 1516/1.8=4, 7797/2.9=4...(7) H TYR 27 - HG2 LYS 96 OK 13 81 - 16 - 11346/4.0=7, 7797/2.9=2...(5) H TYR 27 - HG3 LYS 44 lone 5 80 - 6 - 11346/4.2=3 H VAL 78 - HG3 LYS 44 lone 4 100 - 4 - HE21 GLN 62 - HG2 LYS 96 lone 2 73 - 2 - HE21 GLN 62 - HG3 LYS 44 lone 1 73 - 1 - Peak 7799 from cnoeabs.peaks (7.83, 1.57, 24.91 ppm; 4.41 A): 2 out of 15 assignments used, quality = 0.94: * H ILE 97 + HG3 LYS 96 OK 90 100 - 90 - 5.0=70, 7797/2.9=23...(10) H LYS 39 + HG3 LYS 96 OK 45 100 - 45 - 7797/2.9=13, 1939/5.1=9...(8) H VAL 78 - HG3 LYS 96 OK 21 100 - 21 - 7797/2.9=4, 1516=4...(9) H ILE 97 - HG2 LYS 44 OK 21 73 - 29 - 3.6/6076=9, 4.5/1640=7...(8) H LYS 39 - HG2 LYS 44 OK 17 73 - 23 - 7798/1.8=4, 3618/2.9=2...(11) H TYR 27 - HG3 LYS 96 OK 12 81 - 15 - 11346/4.0=6, 7797/2.9=2...(5) H ILE 97 - HG2 LYS 115 lone 8 87 - 9 - 4.7/10129=4 H TYR 27 - HG2 LYS 44 lone 3 52 - 6 - 11346/4.2=3 H VAL 78 - HG2 LYS 44 lone 3 73 - 4 - H LYS 39 - HG2 LYS 115 lone 3 86 - 3 - H VAL 78 - HG2 LYS 115 lone 2 87 - 2 - HE21 GLN 62 - HG3 LYS 96 lone 2 73 - 2 - H TYR 27 - HG2 LYS 115 lone 1 64 - 2 - HE21 GLN 62 - HG2 LYS 115 lone 1 57 - 1 - HE21 GLN 62 - HG2 LYS 44 lone 0 46 - 1 - Peak 7800 from cnoeabs.peaks (7.83, 1.68, 28.89 ppm; 4.26 A): 4 out of 45 assignments used, quality = 0.95: * H ILE 97 + HD2 LYS 96 OK 60 100 - 60 - 7797/3.4=19, 7799/3.0=12...(8) H ILE 97 + HD3 LYS 96 OK 60 100 - 60 - 7797/3.4=19, 7799/3.0=12...(8) H LYS 39 + HD2 LYS 96 OK 43 100 - 43 - 7797/3.4=11, 1939/5.7=7...(11) H LYS 39 + HD3 LYS 96 OK 43 100 - 43 - 7797/3.4=11, 1939/5.7=7...(10) H VAL 78 - HD2 LYS 96 OK 15 100 - 15 - 1516/3.0=3, 7797/3.4=3...(6) H VAL 78 - HD3 LYS 96 OK 15 100 - 15 - 1516/3.0=3, 7797/3.4=3...(6) H ILE 97 - HD2 LYS 43 OK 11 96 - 11 - 3.6/6077=1, 4.6/6097=1 H ILE 97 - HD3 LYS 43 OK 10 95 - 11 - 3.6/6077=1, 4.6/6097=1 H ILE 97 - HD3 LYS 73 OK 10 95 - 11 - 4.6/6097=2, 3.6/6077=1 H LYS 39 - HD2 LYS 43 OK 10 96 - 11 - 4.7/1256=1, ~3567=1, ~3566=1 H LYS 39 - HD3 LYS 43 OK 10 95 - 11 - 4.7/1256=1, ~3567=1, ~3566=1 H ILE 97 - HD2 LYS 73 OK 10 94 - 11 - 4.6/6097=2, 3.6/6077=1 H ILE 97 - HD3 LYS 20 poor 10 90 - 11 - 4.6/6097=1, 3.6/6077=1 H TYR 27 - HD2 LYS 96 poor 9 81 - 12 - 11346/5.3=4, 7797/3.4=2...(5) H TYR 27 - HD3 LYS 96 poor 9 80 - 12 - 11346/5.3=4, 7797/3.4=2...(5) H ILE 97 - HD2 LYS 20 poor 9 87 - 11 - 4.6/6097=1, 3.6/6077=1 H LYS 39 - HD3 LYS 20 lone 8 90 - 9 - H LYS 39 - HD2 LYS 20 lone 7 87 - 8 - H LYS 39 - HD3 LYS 73 lone 6 95 - 6 - H LYS 39 - HD2 LYS 73 lone 6 93 - 6 - H ILE 97 - HG12 ILE 71 lone 4 50 - 8 - ~9783=4, 1649/1.8=1 H VAL 78 - HD2 LYS 43 lone 2 96 - 2 - H VAL 78 - HD3 LYS 43 lone 1 95 - 2 - HE21 GLN 62 - HD2 LYS 96 lone 1 73 - 2 - HE21 GLN 62 - HD3 LYS 96 lone 1 73 - 2 - H VAL 78 - HD3 LYS 73 lone 1 95 - 1 - H VAL 78 - HD2 LYS 73 lone 1 94 - 1 - H VAL 78 - HD3 LYS 20 lone 1 90 - 1 - H VAL 78 - HD2 LYS 20 lone 1 87 - 1 - H TYR 27 - HD3 LYS 73 lone 1 72 - 1 - H TYR 27 - HD2 LYS 43 lone 1 73 - 1 - H TYR 27 - HD3 LYS 43 lone 1 72 - 1 - H TYR 27 - HD2 LYS 73 lone 1 71 - 1 - H LYS 39 - HG12 ILE 71 lone 1 49 - 1 - H TYR 27 - HD3 LYS 20 lone 1 67 - 1 - H TYR 27 - HD2 LYS 20 lone 1 64 - 1 - HE21 GLN 62 - HD2 LYS 43 lone 1 66 - 1 - HE21 GLN 62 - HD3 LYS 43 lone 1 65 - 1 - HE21 GLN 62 - HD3 LYS 73 lone 1 65 - 1 - HE21 GLN 62 - HD2 LYS 73 lone 1 64 - 1 - HE21 GLN 62 - HD3 LYS 20 lone 0 60 - 1 - HE21 GLN 62 - HD2 LYS 20 lone 0 58 - 1 - H VAL 78 - HG12 ILE 71 lone 0 50 - 1 - H TYR 27 - HG12 ILE 71 lone 0 34 - 1 - HE21 GLN 62 - HG12 ILE 71 lone 0 30 - 1 - Peak 7801 from cnoeabs.peaks (7.83, 1.68, 28.89 ppm; 4.26 A): 4 out of 45 assignments used, quality = 0.95: * H ILE 97 + HD3 LYS 96 OK 60 100 - 60 - 7797/3.4=19, 7799/3.0=12...(8) H ILE 97 + HD2 LYS 96 OK 60 100 - 60 - 7797/3.4=19, 7799/3.0=12...(8) H LYS 39 + HD3 LYS 96 OK 43 100 - 43 - 7797/3.4=11, 1939/5.7=7...(11) H LYS 39 + HD2 LYS 96 OK 43 100 - 43 - 7797/3.4=11, 1939/5.7=7...(11) H VAL 78 - HD3 LYS 96 OK 15 100 - 15 - 1516/3.0=3, 7797/3.4=3...(6) H VAL 78 - HD2 LYS 96 OK 15 100 - 15 - 1516/3.0=3, 7797/3.4=3...(6) H ILE 97 - HD3 LYS 43 OK 11 97 - 11 - 3.6/6077=1, 4.6/6097=1 H ILE 97 - HD2 LYS 43 OK 11 94 - 11 - 3.6/6077=1, 4.6/6097=1 H LYS 39 - HD3 LYS 43 OK 10 96 - 11 - 4.7/1256=1, ~3567=1, ~3566=1 H ILE 97 - HD3 LYS 73 OK 10 97 - 11 - 4.6/6097=2, 3.6/6077=1 H ILE 97 - HD2 LYS 73 OK 10 96 - 11 - 4.6/6097=2, 3.6/6077=1 H ILE 97 - HD3 LYS 20 OK 10 94 - 11 - 4.6/6097=1, 3.6/6077=1 H LYS 39 - HD2 LYS 43 poor 10 93 - 11 - 4.7/1256=1, ~3567=1, ~3566=1 H ILE 97 - HD2 LYS 20 poor 10 92 - 11 - 4.6/6097=1, 3.6/6077=1 H TYR 27 - HD3 LYS 96 poor 10 81 - 12 - 11346/5.3=4, 7797/3.4=2...(5) H TYR 27 - HD2 LYS 96 poor 9 80 - 12 - 11346/5.3=4, 7797/3.4=2...(5) H LYS 39 - HD3 LYS 20 lone 8 93 - 9 - H LYS 39 - HD2 LYS 20 lone 8 92 - 9 - H LYS 39 - HD3 LYS 73 lone 6 96 - 6 - H LYS 39 - HD2 LYS 73 lone 6 96 - 6 - H ILE 97 - HG12 ILE 71 lone 4 58 - 8 - ~9783=4, 1649/1.8=1 H VAL 78 - HD3 LYS 43 lone 2 96 - 2 - H VAL 78 - HD2 LYS 43 lone 1 94 - 2 - H VAL 78 - HD3 LYS 73 lone 1 96 - 1 - HE21 GLN 62 - HD3 LYS 96 lone 1 73 - 2 - H VAL 78 - HD2 LYS 73 lone 1 96 - 1 - HE21 GLN 62 - HD2 LYS 96 lone 1 73 - 2 - H VAL 78 - HD3 LYS 20 lone 1 94 - 1 - H VAL 78 - HD2 LYS 20 lone 1 92 - 1 - H TYR 27 - HD3 LYS 73 lone 1 74 - 1 - H TYR 27 - HD2 LYS 73 lone 1 73 - 1 - H TYR 27 - HD3 LYS 43 lone 1 74 - 1 - H LYS 39 - HG12 ILE 71 lone 1 58 - 1 - H TYR 27 - HD2 LYS 43 lone 1 71 - 1 - H TYR 27 - HD3 LYS 20 lone 1 71 - 1 - H TYR 27 - HD2 LYS 20 lone 1 69 - 1 - HE21 GLN 62 - HD3 LYS 43 lone 1 67 - 1 - HE21 GLN 62 - HD3 LYS 73 lone 1 67 - 1 - HE21 GLN 62 - HD2 LYS 73 lone 1 66 - 1 - HE21 GLN 62 - HD2 LYS 43 lone 1 64 - 1 - HE21 GLN 62 - HD3 LYS 20 lone 0 64 - 1 - HE21 GLN 62 - HD2 LYS 20 lone 0 62 - 1 - H VAL 78 - HG12 ILE 71 lone 0 58 - 1 - H TYR 27 - HG12 ILE 71 lone 0 40 - 1 - HE21 GLN 62 - HG12 ILE 71 lone 0 36 - 1 - Peak 7804 from cnoeabs.peaks (8.67, 3.94, 62.57 ppm; 4.68 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 98 + HA ILE 97 OK 100 100 - 100 - 3.6=100 Peak 7805 from cnoeabs.peaks (8.67, 1.81, 37.21 ppm; 4.47 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 98 + HB ILE 97 OK 100 100 - 100 - 4.4=100 Peak 7806 from cnoeabs.peaks (8.67, 0.68, 18.75 ppm; 4.55 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 98 + QG2 ILE 97 OK 100 100 - 100 - 4.1=100 Peak 7807 from cnoeabs.peaks (8.67, 1.00, 27.27 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.95: * H GLU 98 + HG12 ILE 97 OK 95 100 - 95 - 625=45, 627/2.1=42...(10) H VAL 104 - HG12 ILE 97 OK 25 61 - 40 - ~10149=22, 7809/2.1=14...(5) Peak 7809 from cnoeabs.peaks (8.67, 0.36, 11.90 ppm; 5.33 A): 1 out of 2 assignments used, quality = 0.96: * H GLU 98 + QD1 ILE 97 OK 96 100 - 96 - 3.6/6167=42, 623/3.2=36...(13) H VAL 104 - QD1 ILE 97 OK 39 61 - 64 - 3.9/10229=34...(7) Peak 7810 from cnoeabs.peaks (8.10, 4.34, 58.95 ppm; 4.52 A): 1 out of 1 assignment used, quality = 1.00: * H SER 99 + HA GLU 98 OK 100 100 - 100 - 3.6=100 Peak 7811 from cnoeabs.peaks (8.10, 2.18, 29.43 ppm; 4.46 A): 1 out of 1 assignment used, quality = 1.00: * H SER 99 + HB2 GLU 98 OK 100 100 - 100 - 4.3=100 Peak 7812 from cnoeabs.peaks (8.10, 2.05, 29.43 ppm; 3.26 A): 6 out of 35 assignments used, quality = 0.86: * H SER 99 + HB3 GLU 98 OK 70 100 - 70 - 4.3=43, 630/1.8=18...(9) H GLU 92 + HB2 GLU 89 OK 16 40 - 39 - 8178/3.0=11, 1608/3.0=6...(14) H GLU 92 + HB3 GLU 89 OK 16 40 - 39 - 8178/3.0=11, 1608/3.0=6...(14) H PHE 93 + HB3 GLU 89 OK 15 49 - 30 - 581=7, 583/3.0=6...(7) H PHE 93 + HB2 GLU 89 OK 15 49 - 30 - 581=7, 583/3.0=6...(7) H SER 99 + HB3 GLN 100 OK 12 72 - 17 - 1942/4.0=11, 631=3 H SER 99 - HB3 GLU 89 lone 4 51 - 8 - 2179/3.0=2, 631=1, 631/1.8=1 H SER 99 - HB2 GLU 89 lone 4 51 - 8 - 2179/3.0=2, 631=1, 631/1.8=1 H PHE 93 - HB3 GLU 98 lone 4 99 - 4 - 581=1 H SER 99 - HB2 GLU 66 lone 4 54 - 7 - 630/3.0=2, 631=1, 632/3.0=1 H SER 99 - HB3 GLN 85 lone 4 63 - 6 - 630/1.8=2 H GLU 92 - HB3 GLU 98 lone 3 90 - 4 - H GLU 92 - HB2 GLU 66 lone 3 43 - 8 - 1605=1 H GLU 92 - HB3 GLN 100 lone 2 59 - 3 - H PHE 93 - HB2 GLU 66 lone 2 52 - 3 - H PHE 93 - HB3 GLN 100 lone 1 70 - 2 - H GLU 92 - HB3 GLU 87 lone 1 47 - 2 - H GLU 128 - HB2 GLU 89 lone 1 33 - 3 - 8178/3.0=2 H GLU 128 - HB3 GLU 89 lone 1 33 - 3 - 8178/3.0=2 H PHE 93 - HB3 GLU 87 lone 1 57 - 2 - H PHE 93 - HB3 GLN 85 lone 1 61 - 2 - H GLU 128 - HB3 GLU 98 lone 1 77 - 1 - H GLU 128 - HB2 GLU 66 lone 1 35 - 2 - 2.9/8120=1 H GLU 92 - HB3 GLN 85 lone 1 51 - 1 - H ALA 113 - HB3 GLN 100 lone 1 37 - 1 - H SER 99 - HB3 GLU 87 lone 1 59 - 1 - H ALA 113 - HB3 GLU 98 lone 0 61 - 1 - H ALA 113 - HB2 GLU 66 lone 0 26 - 1 - H GLU 128 - HB3 GLN 100 lone 0 48 - 1 - H ALA 113 - HB2 GLU 89 lone 0 25 - 1 - H ALA 113 - HB3 GLU 89 lone 0 25 - 1 - H ALA 113 - HB3 GLU 87 lone 0 29 - 1 - H GLU 128 - HB3 GLN 85 lone 0 41 - 1 - H ALA 113 - HB3 GLN 85 lone 0 32 - 1 - H GLU 128 - HB3 GLU 87 lone 0 38 - 1 - Peak 7813 from cnoeabs.peaks (8.10, 2.38, 36.43 ppm; 5.26 A): 1 out of 1 assignment used, quality = 1.00: * H SER 99 + HG2 GLU 98 OK 100 100 - 100 - 4.9=100 Peak 7814 from cnoeabs.peaks (8.10, 2.44, 36.43 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H SER 99 + HG3 GLU 98 OK 100 100 - 100 - 4.9=100 Peak 7815 from cnoeabs.peaks (7.62, 4.34, 60.41 ppm; 4.66 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 100 + HA SER 99 OK 100 100 - 100 - 3.6=100 Peak 7816 from cnoeabs.peaks (7.62, 4.00, 62.68 ppm; 6.12 A): 2 out of 2 assignments used, quality = 1.00: H GLN 100 + HB3 SER 99 OK 100 100 - 100 - 4.5=100 * H GLN 100 + HB2 SER 99 OK 100 100 - 100 - 4.5=100 Peak 7817 from cnoeabs.peaks (7.62, 4.00, 62.68 ppm; 6.12 A): 2 out of 2 assignments used, quality = 1.00: * H GLN 100 + HB3 SER 99 OK 100 100 - 100 - 4.5=100 H GLN 100 + HB2 SER 99 OK 100 100 - 100 - 4.5=100 Peak 7818 from cnoeabs.peaks (7.95, 4.31, 55.93 ppm; 4.90 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 101 + HA GLN 100 OK 100 100 - 100 - 3.6=100 Peak 7819 from cnoeabs.peaks (7.95, 2.21, 29.21 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 101 + HB2 GLN 100 OK 100 100 - 100 - 4.4=100 Peak 7820 from cnoeabs.peaks (7.95, 2.05, 29.21 ppm; 4.04 A): 3 out of 35 assignments used, quality = 0.96: * H GLY 101 + HB3 GLN 100 OK 90 100 - 90 - 4.4=75, 639/3.0=33...(6) H GLU 91 + HB2 GLU 89 OK 37 87 - 43 - 8177/3.0=18, 1933/4.7=17...(4) H GLU 91 + HB3 GLU 89 OK 37 87 - 43 - 8177/3.0=18, 1933/4.7=17...(4) H GLU 91 - HB2 GLU 92 OK 20 55 - 36 - 573/4.0=20, 1599/1.8=5...(8) H GLY 101 - HB3 GLU 98 OK 10 72 - 14 - 10159/2.9=8, 642/3.0=4 H GLU 91 - HB3 GLU 98 lone 7 69 - 9 - 10159/2.9=4, 1934/4.3=3 H GLY 125 - HB2 GLU 89 lone 5 88 - 6 - 8177/3.0=3, 1933/4.7=1 H GLY 125 - HB3 GLU 89 lone 5 88 - 6 - 8177/3.0=3, 1933/4.7=1 H GLU 91 - HB2 GLU 66 lone 5 86 - 5 - 4.6/11060=1 H GLY 101 - HB2 GLU 89 lone 4 90 - 4 - 8177/3.0=1 H GLY 101 - HB3 GLU 89 lone 4 90 - 4 - 8177/3.0=1 H GLU 91 - HB3 GLN 85 lone 3 80 - 4 - HD21 ASN 33 - HB2 GLU 89 lone 3 84 - 4 - 8177/3.0=1, 2132/4.0=1 HD21 ASN 33 - HB3 GLU 89 lone 3 84 - 4 - 8177/3.0=1, 2132/4.0=1 H GLY 125 - HB2 GLU 66 lone 3 87 - 3 - 2245/4.1=2 H GLY 125 - HB2 GLU 92 lone 3 56 - 5 - 573/4.0=3 H GLU 91 - HB3 GLN 100 lone 3 99 - 2 - 1943/4.0=1 H GLY 101 - HB3 GLN 85 lone 2 83 - 2 - H GLY 101 - HB2 GLU 66 lone 1 89 - 2 - H GLY 101 - HB2 GLU 92 lone 1 58 - 2 - H GLY 125 - HB3 GLN 100 lone 1 99 - 1 - H GLY 125 - HB3 GLN 85 lone 1 81 - 1 - HD21 ASN 33 - HB3 GLN 100 lone 1 97 - 1 - H GLY 125 - HB3 GLU 98 lone 1 70 - 1 - H LYS 53 - HB3 GLN 100 lone 1 70 - 1 - HD21 ASN 33 - HB2 GLU 92 lone 1 53 - 1 - HD21 ASN 33 - HB3 GLU 98 lone 1 67 - 1 - H LYS 53 - HB2 GLU 89 lone 1 56 - 1 - H LYS 53 - HB3 GLU 89 lone 1 56 - 1 - HD21 ASN 33 - HB2 GLU 66 lone 1 83 - 1 - H LYS 53 - HB2 GLU 66 lone 1 56 - 1 - HD21 ASN 33 - HB3 GLN 85 lone 0 77 - 1 - H LYS 53 - HB3 GLN 85 lone 0 50 - 1 - H LYS 53 - HB3 GLU 98 lone 0 43 - 1 - H LYS 53 - HB2 GLU 92 lone 0 33 - 1 - Peak 7823 from cnoeabs.peaks (6.89, 3.72, 45.20 ppm; 5.41 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 102 + HA2 GLY 101 OK 100 100 - 100 - 3.6=100 Peak 7824 from cnoeabs.peaks (6.89, 4.01, 45.20 ppm; 5.12 A): 1 out of 1 assignment used, quality = 1.00: * H TYR 102 + HA3 GLY 101 OK 100 100 - 100 - 3.6=100 Peak 7825 from cnoeabs.peaks (8.32, 4.67, 56.25 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 103 + HA TYR 102 OK 100 100 - 100 - 3.6=100 Peak 7826 from cnoeabs.peaks (8.32, 2.47, 39.05 ppm; 5.30 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 103 + HB2 TYR 102 OK 100 100 - 100 - 4.6=100 Peak 7827 from cnoeabs.peaks (8.32, 2.75, 39.05 ppm; 4.61 A): 1 out of 3 assignments used, quality = 0.99: * H GLU 103 + HB3 TYR 102 OK 99 100 - 99 - 4.6=98, 650/3.0=41...(4) H GLN 28 - HB3 TYR 102 lone 3 57 - 5 - 4699/2.5=4 H MET 121 - HB3 TYR 102 lone 2 100 - 2 - 4699/2.5=1 Peak 7831 from cnoeabs.peaks (8.65, 4.51, 56.38 ppm; 3.02 A): 1 out of 4 assignments used, quality = 0.79: * H VAL 104 + HA GLU 103 OK 79 100 - 79 - 3.6=61, 660/3.0=18...(9) H GLU 87 - HA GLU 103 lone 3 94 - 3 - H GLU 98 - HA GLU 103 lone 2 61 - 3 - H ASN 8 - HA GLU 103 lone 0 70 - 0 - Peak 7832 from cnoeabs.peaks (8.65, 2.09, 30.37 ppm; 4.91 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 104 + HB2 GLU 103 OK 100 100 - 100 - 4.7=100 Peak 7833 from cnoeabs.peaks (8.65, 1.99, 30.37 ppm; 5.10 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 104 + HB3 GLU 103 OK 100 100 - 100 - 4.7=100 Peak 7834 from cnoeabs.peaks (8.65, 2.26, 36.25 ppm; 4.68 A): 2 out of 16 assignments used, quality = 0.91: * H VAL 104 + HG2 GLU 103 OK 88 100 - 89 - 661=39, 660/3.0=39...(5) H GLU 87 + HG2 GLU 89 OK 18 55 - 33 - 2131/5.2=13, 1575/3.0=5...(8) H GLU 87 - HG3 GLU 111 poor 7 37 - 20 - 1577/1.8=3, 4.6/10048=3...(10) H GLU 87 - HG2 GLU 103 lone 6 94 - 6 - 7835/1.8=2, 7831/4.0=1 H VAL 104 - HG2 GLU 89 lone 5 64 - 8 - 661=3, 662/1.8=2, 2131/5.2=2 H GLU 87 - HG3 GLU 92 lone 4 49 - 9 - 2131/1588=2, 7835/1.8=1 H VAL 104 - HG3 GLU 92 lone 2 57 - 4 - 661=2, 662/1.8=1 H GLU 98 - HG2 GLU 89 lone 2 32 - 5 - 2174/3.8=2 H ASN 8 - HG2 GLU 89 lone 2 37 - 4 - 2131/5.2=2 H GLU 98 - HG2 GLU 103 lone 1 61 - 2 - H VAL 104 - HG3 GLU 111 lone 1 43 - 3 - H GLU 98 - HG3 GLU 92 lone 1 28 - 4 - H ASN 8 - HG2 GLU 103 lone 1 70 - 1 - H ASN 8 - HG3 GLU 92 lone 1 33 - 2 - H ASN 8 - HG3 GLU 111 lone 0 24 - 2 - H GLU 98 - HG3 GLU 111 lone 0 21 - 1 - Peak 7835 from cnoeabs.peaks (8.65, 2.32, 36.25 ppm; 4.16 A): 1 out of 24 assignments used, quality = 0.82: * H VAL 104 + HG3 GLU 103 OK 82 100 - 82 - 662=38, 660/3.0=33...(5) H GLU 87 - HG3 GLU 89 poor 9 40 - 23 - 2131/5.2=10, 1575/3.0=4...(4) H GLU 87 - HG3 GLU 103 lone 4 94 - 5 - 7834/1.8=1, 7831/4.0=1 H GLU 87 - HG2 GLU 92 lone 3 55 - 6 - 2131/1589=1 H VAL 104 - HG3 GLU 89 lone 3 47 - 6 - 662=2, 661/1.8=2, 2131/5.2=1 H VAL 104 - HG2 GLU 92 lone 2 64 - 3 - 662=1, 661/1.8=1 H VAL 104 - HG2 GLU 112 lone 1 39 - 3 - H GLU 98 - HG3 GLU 103 lone 1 61 - 2 - H GLU 98 - HG3 GLU 89 lone 1 23 - 4 - 2174/3.8=1 H GLU 98 - HG2 GLU 92 lone 1 32 - 3 - H ASN 8 - HG3 GLU 89 lone 1 26 - 3 - 2131/5.2=2 H VAL 104 - HG3 GLU 48 lone 1 70 - 1 - H GLU 87 - HG3 GLU 48 lone 1 61 - 1 - H ASN 8 - HG3 GLU 103 lone 1 70 - 1 - H GLU 98 - HG3 GLU 13 lone 1 21 - 3 - H GLU 87 - HG2 GLU 112 lone 1 33 - 2 - H GLU 87 - HG3 GLU 13 lone 0 37 - 1 - H VAL 104 - HG3 GLU 13 lone 0 43 - 1 - H ASN 8 - HG2 GLU 92 lone 0 37 - 1 - H GLU 98 - HG3 GLU 48 lone 0 36 - 1 - H ASN 8 - HG3 GLU 48 lone 0 41 - 1 - H ASN 8 - HG3 GLU 13 lone 0 24 - 1 - H ASN 8 - HG2 GLU 112 lone 0 22 - 1 - H GLU 98 - HG2 GLU 112 lone 0 19 - 1 - Peak 7836 from cnoeabs.peaks (8.71, 5.23, 59.28 ppm; 3.52 A): 1 out of 5 assignments used, quality = 0.98: * H ARG 105 + HA VAL 104 OK 98 100 - 98 - 3.6=96, 666/3.2=23...(10) H ASP 86 - HA VAL 104 lone 6 81 - 7 - 10046/3.2=4, 11511/3.2=2 H ASP 110 - HA VAL 104 lone 1 94 - 1 - H ASN 50 - HA VAL 104 lone 0 65 - 1 - H GLU 41 - HA VAL 104 lone 0 73 - 0 - Peak 7837 from cnoeabs.peaks (8.71, 1.95, 34.17 ppm; 4.79 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 105 + HB VAL 104 OK 100 100 - 100 - 4.4=100 Peak 7840 from cnoeabs.peaks (8.81, 4.92, 52.47 ppm; 3.34 A): 2 out of 5 assignments used, quality = 0.93: * H LYS 106 + HA ARG 105 OK 92 100 - 92 - 3.6=82, 670/3.0=20...(8) H ILE 54 + HA ARG 105 OK 11 100 - 11 - 1948/3.0=2, 10802/3.0=2...(6) H SER 58 - HA ARG 105 lone 8 100 - 8 - 346=4, 1948/3.0=1 H PHE 120 - HA ARG 105 lone 3 61 - 6 - 7844/4.0=1, ~11470=1, 1948/3.0=1 H ASN 59 - HA ARG 105 lone 2 84 - 2 - 4.6/346=1 Peak 7841 from cnoeabs.peaks (8.81, 1.86, 32.95 ppm; 5.44 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 106 + HB2 ARG 105 OK 100 100 - 100 - 4.2=100 Peak 7842 from cnoeabs.peaks (8.81, 1.82, 32.95 ppm; 5.70 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 106 + HB3 ARG 105 OK 100 100 - 100 - 4.2=100 Peak 7844 from cnoeabs.peaks (8.81, 1.75, 26.58 ppm; 6.20 A): 1 out of 5 assignments used, quality = 0.96: * H LYS 106 + HG3 ARG 105 OK 96 100 - 96 - 670/3.0=44, 675/3.0=44...(8) H ILE 54 - HG3 ARG 105 OK 35 100 - 35 - 7846/3.0=7, 7845/3.0=7...(7) H PHE 120 - HG3 ARG 105 OK 32 61 - 53 - 6.5/10254=16...(9) H SER 58 - HG3 ARG 105 OK 20 100 - 19 - 7846/3.0=4, 7845/3.0=4...(6) H ASN 59 - HG3 ARG 105 lone 6 84 - 7 - 4.5/9602=2 Peak 7845 from cnoeabs.peaks (8.81, 3.52, 41.44 ppm; 4.84 A): 2 out of 5 assignments used, quality = 0.93: * H LYS 106 + HD2 ARG 105 OK 91 100 - 91 - 675/1.8=38, 670/3.8=32...(9) H ILE 54 + HD2 ARG 105 OK 23 100 - 23 - 7846/1.8=6, 10802/3.0=5...(6) H PHE 120 - HD2 ARG 105 OK 17 61 - 27 - 6.5/10257=11...(6) H SER 58 - HD2 ARG 105 OK 13 100 - 13 - 7846/1.8=4, 3.6/6430=3...(5) H ASN 59 - HD2 ARG 105 lone 3 84 - 3 - Peak 7846 from cnoeabs.peaks (8.81, 3.34, 41.44 ppm; 4.82 A): 1 out of 5 assignments used, quality = 0.93: * H LYS 106 + HD3 ARG 105 OK 93 100 - 93 - 675=47, 3.6/6396=35...(9) H ILE 54 - HD3 ARG 105 OK 23 100 - 23 - 7845/1.8=6, 10802/3.0=5...(6) H SER 58 - HD3 ARG 105 OK 13 100 - 13 - 7845/1.8=4, 3.6/6438=3...(5) H PHE 120 - HD3 ARG 105 OK 12 61 - 19 - 8.2/10261=5, 7845/1.8=5...(5) H ASN 59 - HD3 ARG 105 lone 3 84 - 3 - Peak 7847 from cnoeabs.peaks (8.55, 5.58, 53.87 ppm; 3.50 A): 1 out of 2 assignments used, quality = 0.98: * H VAL 107 + HA LYS 106 OK 98 100 - 98 - 3.6=94, 4.0/10311=13...(11) H ILE 57 - HA LYS 106 poor 8 81 - 10 - 11402/11401=2...(4) Peak 7848 from cnoeabs.peaks (8.55, 1.72, 35.30 ppm; 4.73 A): 2 out of 2 assignments used, quality = 1.00: * H VAL 107 + HB2 LYS 106 OK 100 100 - 100 - 4.6=100 H VAL 107 + HB3 LYS 106 OK 100 100 - 100 - 4.6=100 Peak 7849 from cnoeabs.peaks (8.55, 1.71, 35.30 ppm; 4.62 A): 2 out of 4 assignments used, quality = 1.00: * H VAL 107 + HB3 LYS 106 OK 100 100 - 100 - 4.6=100 H VAL 107 + HB2 LYS 106 OK 99 100 - 100 - 4.6=100 H ILE 57 - HB3 LYS 106 poor 9 81 - 11 - 7850/2.9=3, 7847/3.0=3 H ILE 57 - HB2 LYS 106 poor 9 80 - 11 - 7850/2.9=3, 7847/3.0=3 Peak 7850 from cnoeabs.peaks (8.55, 1.46, 24.00 ppm; 5.65 A): 2 out of 2 assignments used, quality = 0.94: * H VAL 107 + HG2 LYS 106 OK 92 100 - 92 - 677/3.9=48, 7851/1.8=33...(10) H ILE 57 + HG2 LYS 106 OK 15 81 - 19 - 7851/1.8=5, 7847/3.9=3...(6) Peak 7851 from cnoeabs.peaks (8.55, 1.40, 24.00 ppm; 5.99 A): 2 out of 2 assignments used, quality = 0.95: * H VAL 107 + HG3 LYS 106 OK 94 100 - 94 - 677/3.9=49, 7850/1.8=38...(9) H ILE 57 + HG3 LYS 106 OK 14 81 - 17 - 7850/1.8=6, 7847/3.9=4...(5) Peak 7856 from cnoeabs.peaks (8.60, 4.62, 60.22 ppm; 3.24 A): 1 out of 8 assignments used, quality = 0.86: * H THR 108 + HA VAL 107 OK 86 100 - 86 - 3.6=75, 689/3.2=14...(6) H LYS 94 - HA VAL 107 lone 9 100 - 9 - 7858/3.2=3, 7859/3.2=3 H GLN 85 - HA VAL 107 lone 5 84 - 6 - 7858/3.2=2, 7859/3.2=2 H LEU 80 - HA VAL 107 lone 4 100 - 4 - 7858/3.2=1, 7859/3.2=1 H ALA 124 - HA VAL 107 lone 2 100 - 2 - H ILE 71 - HA VAL 107 lone 2 98 - 2 - H LYS 49 - HA VAL 107 lone 1 100 - 1 - H ASP 12 - HA VAL 107 lone 1 65 - 1 - Peak 7857 from cnoeabs.peaks (8.60, 2.12, 35.23 ppm; 4.13 A): 1 out of 24 assignments used, quality = 0.96: * H THR 108 + HB VAL 107 OK 96 100 - 96 - 4.4=81, 687/3.0=39...(9) H LYS 94 - HB VAL 107 OK 20 100 - 20 - 7858/2.1=7, 7859/2.1=5...(4) H GLN 85 - HB VAL 107 OK 13 84 - 16 - 4.6/529=6, 7858/2.1=4...(4) H LEU 80 - HB VAL 107 lone 8 100 - 8 - 7859/2.1=2, 7858/2.1=2 H ALA 124 - HB VAL 107 lone 5 100 - 5 - 7858/2.1=1, 7859/2.1=1 H THR 108 - HG2 GLU 21 lone 4 79 - 5 - 4.6/10352=1 H ILE 71 - HB VAL 107 lone 4 98 - 4 - H THR 108 - HG3 GLU 21 lone 4 70 - 5 - 4.6/10352=1 H LYS 49 - HB VAL 107 lone 3 100 - 3 - H ASP 12 - HB VAL 107 lone 2 65 - 3 - H ILE 71 - HG2 GLU 21 lone 2 75 - 2 - H ILE 71 - HG3 GLU 21 lone 1 66 - 2 - H ALA 124 - HG2 GLU 21 lone 1 78 - 1 - H ALA 124 - HG3 GLU 21 lone 1 69 - 1 - H LYS 49 - HG2 GLU 21 lone 1 78 - 1 - H LYS 94 - HG2 GLU 21 lone 1 79 - 1 - H LYS 49 - HG3 GLU 21 lone 1 69 - 1 - H LYS 94 - HG3 GLU 21 lone 1 70 - 1 - H LEU 80 - HG2 GLU 21 lone 1 78 - 1 - H LEU 80 - HG3 GLU 21 lone 0 69 - 1 - H GLN 85 - HG2 GLU 21 lone 0 60 - 1 - H GLN 85 - HG3 GLU 21 lone 0 52 - 1 - H ASP 12 - HG2 GLU 21 lone 0 45 - 1 - H ASP 12 - HG3 GLU 21 lone 0 39 - 1 - Peak 7858 from cnoeabs.peaks (8.60, 0.87, 20.76 ppm; 3.49 A): 3 out of 8 assignments used, quality = 0.92: * H THR 108 + QG2 VAL 107 OK 88 100 - 88 - 4.2=56, 687/3.2=29...(10) H LYS 94 + QG2 VAL 107 OK 22 100 - 22 - 4.6/10296=9, 7859/2.1=4...(4) H GLN 85 + QG2 VAL 107 OK 14 84 - 17 - 4.6/10295=4, 7859/2.1=3...(7) H LEU 80 - QG2 VAL 107 lone 7 100 - 7 - 7859/2.1=2, 7857/2.1=1 H ALA 124 - QG2 VAL 107 lone 4 100 - 4 - H ILE 71 - QG2 VAL 107 lone 3 98 - 3 - H LYS 49 - QG2 VAL 107 lone 2 100 - 2 - H ASP 12 - QG2 VAL 107 lone 2 65 - 3 - Peak 7859 from cnoeabs.peaks (8.60, 0.76, 21.72 ppm; 4.05 A): 1 out of 8 assignments used, quality = 0.98: * H THR 108 + QG1 VAL 107 OK 98 100 - 98 - 4.2=87, 687/3.2=36...(9) H LYS 94 - QG1 VAL 107 OK 24 100 - 24 - 7858/2.1=6, 4.6/10298=4...(7) H GLN 85 - QG1 VAL 107 OK 15 84 - 18 - 4.6/10021=7, 7858/2.1=4...(5) H LEU 80 - QG1 VAL 107 lone 9 100 - 9 - 7858/2.1=2, 7857/2.1=2...(5) H ALA 124 - QG1 VAL 107 lone 4 100 - 4 - 7858/2.1=1, 7857/2.1=1 H ASP 12 - QG1 VAL 107 lone 4 65 - 5 - H ILE 71 - QG1 VAL 107 lone 3 98 - 3 - H LYS 49 - QG1 VAL 107 lone 3 100 - 3 - Peak 7860 from cnoeabs.peaks (8.04, 4.78, 62.22 ppm; 4.72 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 109 + HA THR 108 OK 100 100 - 100 - 3.6=100 Peak 7861 from cnoeabs.peaks (8.04, 4.22, 69.97 ppm; 3.95 A): 1 out of 9 assignments used, quality = 0.87: * H ASP 109 + HB THR 108 OK 87 100 - 87 - 4.7=61, 692/3.0=34...(5) H LEU 90 - HB THR 108 lone 5 90 - 5 - 4.4/11189=2, 1951/4.0=2 H LYS 65 - HB THR 108 lone 3 100 - 3 - 1951/4.0=1 H THR 9 - HB THR 108 lone 2 96 - 2 - H ARG 118 - HB THR 108 lone 2 92 - 2 - H VAL 22 - HB THR 108 lone 2 100 - 2 - H SER 72 - HB THR 108 lone 1 84 - 1 - H GLN 122 - HB THR 108 lone 1 65 - 1 - H GLY 26 - HB THR 108 lone 0 73 - 1 - Peak 7862 from cnoeabs.peaks (8.04, 1.25, 21.44 ppm; 4.66 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 109 + QG2 THR 108 OK 100 100 - 100 - 4.4=100 Peak 7863 from cnoeabs.peaks (8.70, 4.74, 53.85 ppm; 3.56 A): 1 out of 1 assignment used, quality = 1.00: * H ASP 110 + HA ASP 109 OK 100 100 - 100 - 3.6=100 Peak 7864 from cnoeabs.peaks (8.70, 2.82, 43.69 ppm; 4.15 A): 1 out of 3 assignments used, quality = 0.97: * H ASP 110 + HB2 ASP 109 OK 97 100 - 97 - 4.4=84, 698/1.8=42...(7) H ASP 86 - HB2 ASP 109 lone 7 99 - 7 - 7865/1.8=3 H ARG 105 - HB2 ASP 109 lone 2 94 - 2 - Peak 7865 from cnoeabs.peaks (8.70, 2.73, 43.69 ppm; 4.32 A): 1 out of 3 assignments used, quality = 0.99: * H ASP 110 + HB3 ASP 109 OK 99 100 - 99 - 4.4=94, 697/1.8=44...(8) H ASP 86 - HB3 ASP 109 lone 9 99 - 10 - 4.6/10344=4, 7864/1.8=3 H ARG 105 - HB3 ASP 109 lone 2 94 - 2 - Peak 7866 from cnoeabs.peaks (8.21, 4.09, 57.39 ppm; 4.38 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 111 + HA ASP 110 OK 100 100 - 100 - 3.6=100 Peak 7867 from cnoeabs.peaks (8.21, 2.42, 40.30 ppm; 4.21 A): 2 out of 4 assignments used, quality = 0.95: * H GLU 111 + HB2 ASP 110 OK 94 100 - 94 - 4.4=86, 702/1.8=35...(4) H ASP 84 + HB2 ASP 110 OK 13 96 - 14 - 1953/4.0=5, 7868/1.8=4 H LEU 38 - HB2 ASP 110 lone 7 92 - 8 - 7868/1.8=3, 1953/4.0=1 H GLU 89 - HB2 ASP 110 lone 6 96 - 6 - 1953/4.0=3, 7868/1.8=2 Peak 7868 from cnoeabs.peaks (8.21, 2.68, 40.30 ppm; 3.97 A): 2 out of 4 assignments used, quality = 0.87: * H GLU 111 + HB3 ASP 110 OK 85 100 - 85 - 4.4=72, 701/1.8=27...(4) H ASP 84 + HB3 ASP 110 OK 12 96 - 12 - 1953/4.0=4, 7867/1.8=4 H LEU 38 - HB3 ASP 110 lone 7 92 - 7 - 7867/1.8=2, 1953/4.0=1 H GLU 89 - HB3 ASP 110 lone 5 96 - 5 - 1953/4.0=3, 7867/1.8=2 Peak 7869 from cnoeabs.peaks (8.23, 3.99, 59.36 ppm; 3.84 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 112 + HA GLU 111 OK 100 100 - 100 - 3.6=100 Peak 7870 from cnoeabs.peaks (8.23, 2.10, 28.50 ppm; 3.59 A): 2 out of 3 assignments used, quality = 0.79: * H GLU 112 + HB2 GLU 111 OK 74 100 - 74 - 4.6=47, 706/1.8=29...(7) H GLU 89 + HB2 GLU 111 OK 17 84 - 20 - 7871/1.8=6, 3.0/8181=4...(6) H ILE 15 - HB2 GLU 111 lone 5 99 - 4 - 7871/1.8=2 Peak 7871 from cnoeabs.peaks (8.23, 2.02, 28.50 ppm; 3.59 A): 2 out of 3 assignments used, quality = 0.78: * H GLU 112 + HB3 GLU 111 OK 74 100 - 74 - 4.6=47, 7870/1.8=28...(7) H GLU 89 + HB3 GLU 111 OK 17 84 - 20 - 7870/1.8=7, 7872/3.0=3...(6) H ILE 15 - HB3 GLU 111 lone 6 99 - 6 - 4.6/11374=3, 7870/1.8=2 Peak 7872 from cnoeabs.peaks (8.23, 2.29, 36.01 ppm; 3.89 A): 6 out of 15 assignments used, quality = 0.90: * H GLU 112 + HG2 GLU 111 OK 68 100 - 68 - 706/3.0=25, 7870/3.0=24...(8) H GLU 89 + HG2 GLU 87 OK 27 70 - 38 - 554/5.0=13, 2131/4.9=7...(9) H GLU 89 + HG3 GLU 87 OK 27 70 - 38 - 554/5.0=13, 2131/4.9=7...(9) H GLU 89 + HG2 GLU 111 OK 22 84 - 27 - 7870/3.0=6, 7871/3.0=5...(9) H GLU 112 + HG3 GLU 87 OK 14 90 - 16 - 707=4, 707/1.8=3...(7) H GLU 112 + HG2 GLU 87 OK 14 90 - 16 - 707=4, 707/1.8=3...(7) H ILE 15 - HG2 GLU 111 lone 4 99 - 4 - 7871/3.0=2, 7870/3.0=2 H GLU 112 - HG2 GLU 69 lone 2 63 - 4 - H GLU 89 - HG2 GLU 69 lone 1 46 - 3 - H GLU 112 - HG2 GLU 47 lone 1 56 - 2 - H GLU 89 - HG2 GLU 47 lone 1 40 - 2 - H ILE 15 - HG3 GLU 87 lone 1 89 - 1 - H ILE 15 - HG2 GLU 87 lone 1 89 - 1 - H ILE 15 - HG2 GLU 69 lone 0 61 - 1 - H ILE 15 - HG2 GLU 47 lone 0 54 - 1 - Peak 7873 from cnoeabs.peaks (8.23, 2.27, 36.01 ppm; 3.85 A): 4 out of 15 assignments used, quality = 0.94: * H GLU 112 + HG3 GLU 111 OK 67 100 - 68 - 706/3.0=24, 7870/3.0=24...(10) H GLU 89 + HG2 GLU 89 OK 58 76 - 76 - 5.2=41, 3.0/5749=18...(13) H GLU 89 + HG3 GLU 92 OK 43 80 - 53 - 3.0/5749=11, 1588=10...(15) H GLU 89 + HG3 GLU 111 OK 21 84 - 25 - 7870/3.0=6, 7871/3.0=5...(7) H GLU 112 - HG2 GLU 89 lone 8 96 - 8 - 708=2, 706/3.0=1...(4) H GLU 112 - HG2 GLU 69 lone 5 99 - 5 - 708=1 H ILE 15 - HG3 GLU 111 lone 4 99 - 4 - 7871/3.0=2, 7870/3.0=1 H GLU 112 - HG3 GLU 92 lone 4 99 - 4 - H GLU 89 - HG2 GLU 69 lone 3 80 - 4 - H GLU 89 - HG2 GLU 103 lone 2 31 - 5 - 1588=1 H GLU 112 - HG2 GLU 103 lone 1 43 - 3 - H ILE 15 - HG2 GLU 89 lone 1 94 - 1 - H ILE 15 - HG3 GLU 92 lone 1 97 - 1 - H ILE 15 - HG2 GLU 69 lone 1 97 - 1 - H ILE 15 - HG2 GLU 103 lone 0 42 - 0 - Peak 7874 from cnoeabs.peaks (8.12, 4.00, 58.75 ppm; 4.25 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 113 + HA GLU 112 OK 100 100 - 100 - 3.6=100 Peak 7875 from cnoeabs.peaks (8.12, 2.08, 29.19 ppm; 3.38 A): 3 out of 16 assignments used, quality = 0.94: * H ALA 113 + HB2 GLU 112 OK 71 100 - 71 - 4.6=39, 1955/4.0=13...(12) H ALA 113 + HB3 GLU 112 OK 71 100 - 71 - 4.6=39, 1955/4.0=13...(12) H VAL 117 + HB2 GLU 112 OK 29 100 - 29 - 1955/4.0=6, 711=5...(8) H VAL 117 - HB3 GLU 112 OK 29 100 - 29 - 1955/4.0=6, 712=5...(8) H ALA 113 - HB3 GLU 66 lone 4 84 - 4 - H VAL 117 - HB3 GLU 66 lone 4 83 - 4 - H ALA 113 - HB3 GLU 69 lone 3 96 - 3 - H PHE 93 - HB3 GLU 69 lone 3 70 - 4 - 3.6/8135=2 H VAL 117 - HB3 GLU 69 lone 2 95 - 2 - H PHE 93 - HB2 GLU 112 lone 2 77 - 2 - H PHE 93 - HB3 GLU 112 lone 2 77 - 2 - H SER 99 - HB3 GLU 66 lone 1 45 - 3 - H PHE 93 - HB3 GLU 66 lone 1 58 - 2 - H SER 99 - HB2 GLU 112 lone 1 61 - 2 - H SER 99 - HB3 GLU 112 lone 1 61 - 2 - H SER 99 - HB3 GLU 69 lone 1 55 - 2 - Peak 7876 from cnoeabs.peaks (8.12, 2.08, 29.19 ppm; 3.38 A): 3 out of 20 assignments used, quality = 0.94: * H ALA 113 + HB3 GLU 112 OK 71 100 - 71 - 4.6=39, 1955/4.0=13...(12) H ALA 113 + HB2 GLU 112 OK 71 100 - 71 - 4.6=39, 1955/4.0=13...(12) H VAL 117 + HB2 GLU 112 OK 29 100 - 29 - 1955/4.0=6, 711=5...(8) H VAL 117 - HB3 GLU 112 OK 29 100 - 29 - 1955/4.0=6, 712=5...(8) H ALA 113 - HB3 GLU 66 lone 3 80 - 4 - H VAL 117 - HB3 GLU 66 lone 3 79 - 4 - H PHE 93 - HB3 GLU 91 poor 3 26 - 12 - 4.6/576=4, 3.6/6911=3...(4) H ALA 113 - HB3 GLU 69 lone 3 94 - 3 - H PHE 93 - HB3 GLU 69 lone 2 68 - 4 - 3.6/8135=2 H VAL 117 - HB3 GLU 69 lone 2 93 - 2 - H PHE 93 - HB2 GLU 112 lone 2 77 - 2 - H PHE 93 - HB3 GLU 112 lone 2 77 - 2 - H SER 99 - HB3 GLU 66 lone 1 42 - 3 - H PHE 93 - HB3 GLU 66 lone 1 55 - 2 - H SER 99 - HB2 GLU 112 lone 1 61 - 2 - H SER 99 - HB3 GLU 112 lone 1 61 - 2 - H SER 99 - HB3 GLU 69 lone 1 53 - 2 - H SER 99 - HB3 GLU 91 lone 0 20 - 2 - 2178/3.0=2 H ALA 113 - HB3 GLU 91 lone 0 41 - 1 - H VAL 117 - HB3 GLU 91 lone 0 41 - 1 - Peak 7877 from cnoeabs.peaks (8.12, 2.34, 36.01 ppm; 3.88 A): 4 out of 12 assignments used, quality = 0.91: * H ALA 113 + HG2 GLU 112 OK 58 100 - 58 - 3.6/6625=13, 1955/4.9=13...(12) H ALA 113 + HG3 GLU 112 OK 58 100 - 58 - 3.6/6625=13, 1955/4.9=13...(12) H VAL 117 + HG2 GLU 112 OK 29 100 - 29 - 1955/4.9=6, 7875/3.0=4...(9) H VAL 117 + HG3 GLU 112 OK 29 100 - 29 - 1955/4.9=6, 7875/3.0=4...(9) H PHE 93 - HG3 GLU 112 lone 2 77 - 3 - H PHE 93 - HG2 GLU 112 lone 2 77 - 3 - H SER 99 - HG3 GLU 112 lone 1 61 - 2 - H SER 99 - HG2 GLU 112 lone 1 61 - 2 - H PHE 93 - HG3 GLU 103 lone 1 25 - 5 - 584/1.8=2 H ALA 113 - HG3 GLU 103 lone 1 39 - 2 - H VAL 117 - HG3 GLU 103 lone 0 38 - 1 - H SER 99 - HG3 GLU 103 lone 0 19 - 1 - Peak 7878 from cnoeabs.peaks (8.12, 2.34, 36.01 ppm; 3.88 A): 4 out of 8 assignments used, quality = 0.91: * H ALA 113 + HG3 GLU 112 OK 58 100 - 58 - 3.6/6626=13, 1955/4.9=13...(12) H ALA 113 + HG2 GLU 112 OK 58 100 - 58 - 3.6/6626=13, 1955/4.9=13...(12) H VAL 117 + HG3 GLU 112 OK 29 100 - 29 - 1955/4.9=6, 7875/3.0=4...(9) H VAL 117 + HG2 GLU 112 OK 29 100 - 29 - 1955/4.9=6, 7875/3.0=4...(9) H PHE 93 - HG3 GLU 112 lone 2 77 - 3 - H PHE 93 - HG2 GLU 112 lone 2 77 - 3 - H SER 99 - HG3 GLU 112 lone 1 61 - 2 - H SER 99 - HG2 GLU 112 lone 1 61 - 2 - Peak 7879 from cnoeabs.peaks (7.74, 3.80, 55.38 ppm; 5.58 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 114 + HA ALA 113 OK 100 100 - 100 - 3.6=100 Peak 7880 from cnoeabs.peaks (7.74, 1.41, 18.60 ppm; 3.51 A): 1 out of 2 assignments used, quality = 0.93: * H LEU 114 + QB ALA 113 OK 93 100 - 93 - 3.7=84, 715/2.9=17...(16) H GLU 48 - QB ALA 113 lone 5 99 - 5 - 1956/2.9=1 Peak 7881 from cnoeabs.peaks (7.62, 3.71, 57.67 ppm; 5.67 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 115 + HA LEU 114 OK 100 100 - 100 - 3.6=100 Peak 7882 from cnoeabs.peaks (7.62, 1.74, 40.94 ppm; 3.91 A): 2 out of 22 assignments used, quality = 0.94: * H LYS 115 + HB2 LEU 114 OK 89 100 - 90 - 4.3=75, 718/3.9=23...(11) H GLU 69 + HB2 LEU 68 OK 47 60 - 79 - 4.6=62, 421/4.0=20...(5) H LEU 64 - HB2 LEU 114 OK 29 94 - 31 - 2083/3.0=6, 7883/1.8=6...(10) H LYS 115 - HB2 LEU 68 OK 19 71 - 26 - ~10455=12, 720=5...(5) H LEU 64 - HB2 LEU 68 OK 16 62 - 26 - ~11053=7, ~9754=5...(7) H LYS 16 - HB2 LEU 114 OK 15 84 - 18 - 7883/1.8=4, 79=4...(8) H GLN 100 - HB2 LEU 114 OK 14 98 - 14 - 7883/1.8=3, 718/3.9=3...(6) H GLU 69 - HB2 LEU 114 poor 10 92 - 10 - 423=2, 7883/1.8=2...(5) H LEU 74 - HB2 LEU 114 lone 8 96 - 9 - 7883/1.8=2, 79=2...(4) HE ARG 105 - HB2 LEU 114 lone 6 65 - 9 - ~10277=2, ~10275=2...(4) H ASP 34 - HB2 LEU 114 lone 4 100 - 4 - H GLN 100 - HB2 LEU 68 lone 3 67 - 5 - 1911/4.0=2 H ALA 46 - HB2 LEU 68 lone 2 34 - 7 - 421/4.0=2, 7644/1.8=2, 423=1 HE21 GLN 85 - HB2 LEU 114 lone 2 97 - 2 - H ALA 46 - HB2 LEU 114 lone 2 57 - 3 - HE21 GLN 85 - HB2 LEU 68 lone 1 66 - 2 - H ASP 34 - HB2 LEU 68 lone 1 71 - 2 - H LEU 74 - HB2 LEU 68 lone 1 64 - 2 - HD21 ASN 50 - HB2 LEU 114 lone 1 73 - 1 - H LYS 16 - HB2 LEU 68 lone 1 53 - 2 - HD21 ASN 50 - HB2 LEU 68 lone 0 45 - 1 - HE ARG 105 - HB2 LEU 68 lone 0 39 - 1 - Peak 7883 from cnoeabs.peaks (7.62, 1.40, 40.94 ppm; 3.91 A): 4 out of 11 assignments used, quality = 0.95: * H LYS 115 + HB3 LEU 114 OK 89 100 - 89 - 4.3=75, 718/3.9=23...(10) H LEU 64 + HB3 LEU 114 OK 28 94 - 30 - 2083/3.0=6, 1420/3.1=6...(9) H LYS 16 + HB3 LEU 114 OK 19 84 - 22 - 1107=4, 79/1.8=4...(10) H GLN 100 + HB3 LEU 114 OK 14 98 - 14 - 718/3.9=3, 721=3...(6) H GLU 69 - HB3 LEU 114 lone 9 92 - 10 - 423/1.8=2, 424=2...(4) H LEU 74 - HB3 LEU 114 lone 8 96 - 9 - 79/1.8=2, 1107=2...(4) HE ARG 105 - HB3 LEU 114 lone 6 65 - 8 - ~10277=2, ~10275=2, 7886/3.1=1 H ASP 34 - HB3 LEU 114 lone 4 100 - 4 - HE21 GLN 85 - HB3 LEU 114 lone 2 97 - 2 - H ALA 46 - HB3 LEU 114 lone 2 57 - 3 - HD21 ASN 50 - HB3 LEU 114 lone 1 73 - 1 - Peak 7884 from cnoeabs.peaks (7.62, 1.65, 26.77 ppm; 4.08 A): 3 out of 33 assignments used, quality = 0.93: H LEU 64 + HG LEU 64 OK 70 77 - 91 - 5.2=50, 1421/2.1=25...(11) * H LYS 115 + HG LEU 114 OK 63 100 - 63 - 718/5.2=16, 721/3.0=16...(9) H LEU 64 + HG LEU 114 OK 34 94 - 36 - 1420/2.1=7, 2083/3.7=6...(10) H LYS 115 - HG LEU 64 OK 22 87 - 26 - 723/2.1=5, 4786/2.1=5...(7) H GLN 100 - HG LEU 114 OK 13 98 - 13 - 7883/3.0=2, 7886/2.1=2...(6) H LYS 16 - HG LEU 114 OK 11 84 - 13 - 7883/3.0=3, 79/3.0=3...(6) H GLU 69 - HG LEU 64 poor 9 75 - 12 - 4786/2.1=6, 4779/2.1=3 H LEU 74 - HG LEU 114 lone 8 96 - 8 - 7883/3.0=1, 7886/2.1=1...(4) H GLU 69 - HG LEU 114 lone 8 92 - 8 - 423/3.0=2, 7883/3.0=2...(4) HE ARG 105 - HG LEU 114 poor 7 65 - 11 - ~10277=3, ~10275=3...(4) H ASP 34 - HG LEU 114 lone 4 100 - 4 - H LEU 74 - HG LEU 64 lone 3 79 - 4 - H ALA 46 - HG LEU 64 lone 3 44 - 7 - ~9461=2, ~9455=2, 4786/2.1=1 H LYS 16 - HG LEU 64 lone 3 67 - 4 - H LEU 64 - HG LEU 90 lone 3 64 - 5 - H GLN 100 - HG LEU 64 lone 3 83 - 3 - H LYS 115 - HG LEU 90 lone 2 73 - 3 - HE21 GLN 85 - HG LEU 114 lone 2 97 - 2 - H ALA 46 - HG LEU 114 lone 2 57 - 3 - ~9461=1 H ASP 34 - HG LEU 64 lone 2 87 - 2 - H GLU 69 - HG LEU 90 lone 1 62 - 2 - HE21 GLN 85 - HG LEU 64 lone 1 81 - 1 - H GLN 100 - HG LEU 90 lone 1 69 - 1 - HE21 GLN 85 - HG LEU 90 lone 1 68 - 1 - H LYS 16 - HG LEU 90 lone 1 55 - 2 - HD21 ASN 50 - HG LEU 114 lone 1 73 - 1 - H LEU 74 - HG LEU 90 lone 1 66 - 1 - HD21 ASN 50 - HG LEU 64 lone 1 57 - 1 - H ASP 34 - HG LEU 90 lone 0 73 - 1 - HE ARG 105 - HG LEU 64 lone 0 50 - 1 - H ALA 46 - HG LEU 90 lone 0 35 - 1 - HD21 ASN 50 - HG LEU 90 lone 0 46 - 1 - HE ARG 105 - HG LEU 90 lone 0 41 - 1 - Peak 7885 from cnoeabs.peaks (7.62, 0.81, 24.73 ppm; 4.20 A): 2 out of 22 assignments used, quality = 0.95: * H LYS 115 + QD1 LEU 114 OK 90 100 - 90 - 4.9=64, 718/4.5=21...(14) H LEU 64 + QD1 LEU 64 OK 53 56 - 95 - 4.7=72, 1421/2.1=26...(10) H LEU 64 - QD1 LEU 114 OK 36 94 - 39 - 1420=8, 2083/3.9=6...(9) H LYS 115 - QD1 LEU 64 OK 24 65 - 36 - 723=7, 4786/2.1=5...(13) H GLN 100 - QD1 LEU 114 OK 17 98 - 17 - 7886/2.1=3, 723=3...(6) H LYS 16 - QD1 LEU 114 OK 14 84 - 17 - 7883/3.1=3, 79/3.1=3...(7) H GLU 69 - QD1 LEU 64 OK 13 54 - 23 - 4.9/11269=7, 4786/2.1=6...(6) HE ARG 105 - QD1 LEU 114 OK 11 65 - 18 - 3.8/11019=5, ~10277=3...(6) H LEU 74 - QD1 LEU 114 OK 11 96 - 12 - 9827/9833=2, 7883/3.1=2...(5) H GLU 69 - QD1 LEU 114 OK 11 92 - 11 - 423/3.1=2, 7886/2.1=2...(5) H ASP 34 - QD1 LEU 114 lone 4 100 - 4 - H LEU 74 - QD1 LEU 64 lone 4 58 - 7 - 9827/9833=2 H ALA 46 - QD1 LEU 64 lone 3 30 - 9 - 2.9/9461=4, 4786/2.1=1 H ALA 46 - QD1 LEU 114 lone 3 57 - 4 - 2.9/9461=2 H LYS 16 - QD1 LEU 64 lone 3 48 - 5 - HE21 GLN 85 - QD1 LEU 114 lone 2 97 - 2 - H GLN 100 - QD1 LEU 64 lone 2 61 - 3 - H ASP 34 - QD1 LEU 64 lone 1 65 - 2 - HE21 GLN 85 - QD1 LEU 64 lone 1 60 - 2 - HD21 ASN 50 - QD1 LEU 114 lone 1 73 - 1 - HE ARG 105 - QD1 LEU 64 lone 1 35 - 3 - 3.8/11019=2 HD21 ASN 50 - QD1 LEU 64 lone 0 40 - 1 - Peak 7886 from cnoeabs.peaks (7.62, 0.67, 23.24 ppm; 4.54 A): 1 out of 11 assignments used, quality = 0.96: * H LYS 115 + QD2 LEU 114 OK 96 100 - 96 - 4.9=81, 3.6/6693=36...(17) H LEU 64 - QD2 LEU 114 OK 38 94 - 41 - 1420/2.1=8, 2083/3.9=7...(10) H GLN 100 - QD2 LEU 114 OK 16 98 - 16 - 718/4.5=3, 7883/3.1=3...(6) H LYS 16 - QD2 LEU 114 OK 15 84 - 18 - 7883/3.1=4, 79/3.1=3...(7) HE ARG 105 - QD2 LEU 114 OK 12 65 - 18 - 2.9/10277=5, 2.9/10275=5...(7) H GLU 69 - QD2 LEU 114 OK 11 92 - 11 - 3.6/9760=2, 423/3.1=2...(6) H LEU 74 - QD2 LEU 114 lone 10 96 - 10 - 7883/3.1=2, 79/3.1=2...(5) H ASP 34 - QD2 LEU 114 lone 5 100 - 5 - HE21 GLN 85 - QD2 LEU 114 lone 3 97 - 3 - H ALA 46 - QD2 LEU 114 lone 2 57 - 4 - ~9461=1 HD21 ASN 50 - QD2 LEU 114 lone 1 73 - 1 - Peak 7887 from cnoeabs.peaks (8.00, 3.80, 59.88 ppm; 4.01 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 116 + HA LYS 115 OK 100 100 - 100 - 3.6=100 Peak 7888 from cnoeabs.peaks (8.00, 1.93, 32.18 ppm; 3.58 A): 2 out of 21 assignments used, quality = 0.96: * H ILE 116 + HB2 LYS 115 OK 82 100 - 82 - 4.4=52, 729/3.0=19...(13) H ILE 116 + HB3 LYS 115 OK 78 96 - 82 - 4.4=52, 729/3.0=19...(12) H ILE 116 - HB3 LYS 65 OK 25 94 - 27 - 729/2.9=7, 728=5...(8) H ILE 116 - HB2 LYS 65 OK 24 92 - 27 - 729/2.9=7, 728=5...(8) H ILE 116 - HB2 LYS 123 lone 3 88 - 3 - H GLY 26 - HB2 LYS 115 lone 3 73 - 4 - H SER 72 - HB2 LYS 115 lone 3 61 - 5 - 1958/4.0=1 H SER 72 - HB3 LYS 115 lone 3 55 - 5 - 1958/4.0=1 H GLY 26 - HB3 LYS 115 lone 3 66 - 4 - H SER 72 - HB2 LYS 123 lone 3 48 - 5 - 4.7/436=2 H SER 72 - HB3 LYS 65 lone 2 53 - 4 - 2123/3.0=1 H SER 72 - HB2 LYS 65 lone 2 51 - 4 - 2123/3.0=1 H ILE 116 - HB3 LYS 123 lone 2 55 - 3 - H ILE 116 - HB2 LYS 39 lone 1 87 - 1 - H SER 72 - HB2 LYS 39 lone 1 48 - 1 - H GLY 26 - HB3 LYS 65 lone 1 64 - 1 - H GLY 26 - HB2 LYS 65 lone 1 62 - 1 - H SER 72 - HB3 LYS 123 lone 1 27 - 2 - H GLY 26 - HB2 LYS 39 lone 0 58 - 1 - H GLY 26 - HB2 LYS 123 lone 0 58 - 1 - H GLY 26 - HB3 LYS 123 lone 0 34 - 1 - Peak 7889 from cnoeabs.peaks (8.00, 1.93, 32.18 ppm; 3.56 A): 2 out of 24 assignments used, quality = 0.96: * H ILE 116 + HB3 LYS 115 OK 81 100 - 81 - 4.4=51, 729/3.0=18...(12) H ILE 116 + HB2 LYS 115 OK 78 96 - 81 - 4.4=51, 729/3.0=18...(12) H ILE 116 - HB2 LYS 65 OK 26 98 - 26 - 729/2.9=7, 728=5...(8) H ILE 116 - HB3 LYS 65 OK 26 98 - 27 - 729/2.9=7, 728=5...(8) H SER 72 - HB2 LYS 123 lone 3 54 - 6 - 4.7/436=2 H ILE 116 - HB2 LYS 123 lone 3 95 - 3 - H SER 72 - HB3 LYS 115 lone 3 61 - 5 - 1958/4.0=1 H GLY 26 - HB3 LYS 115 lone 3 73 - 4 - H SER 72 - HB2 LYS 65 lone 3 58 - 5 - 2123/3.0=1, 4.7/436=1 H SER 72 - HB3 LYS 65 lone 3 58 - 5 - 2123/3.0=1, 4.7/436=1 H SER 72 - HB2 LYS 115 lone 3 55 - 5 - 1958/4.0=1 H GLY 26 - HB2 LYS 115 lone 3 66 - 4 - H ILE 116 - HB2 LYS 39 lone 1 95 - 1 - H SER 72 - HB2 LYS 39 lone 1 54 - 1 - H GLY 26 - HB2 LYS 65 lone 1 69 - 1 - H GLY 26 - HB3 LYS 65 lone 1 69 - 1 - H GLY 26 - HB2 LYS 39 lone 1 65 - 1 - H ILE 116 - HB3 LYS 40 lone 1 54 - 1 - H ILE 116 - HB3 LYS 39 lone 1 55 - 1 - H GLY 26 - HB2 LYS 123 lone 0 65 - 1 - H SER 72 - HB3 LYS 39 lone 0 27 - 1 - H GLY 26 - HB3 LYS 39 lone 0 33 - 1 - H SER 72 - HB3 LYS 40 lone 0 26 - 1 - H GLY 26 - HB3 LYS 40 lone 0 33 - 0 - Peak 7890 from cnoeabs.peaks (8.00, 1.56, 24.91 ppm; 4.81 A): 2 out of 9 assignments used, quality = 0.91: * H ILE 116 + HG2 LYS 115 OK 87 100 - 87 - 730/1.8=31, 729=31...(11) H ILE 116 + HG2 LYS 65 OK 32 73 - 44 - 729=11, 3.6/6703=10...(11) H ILE 116 - HG3 LYS 96 lone 6 87 - 7 - 729=2, 4.5/11193=1 H SER 72 - HG2 LYS 115 lone 6 61 - 10 - 7891/1.8=2, 1958/5.0=2 H GLY 26 - HG2 LYS 115 lone 6 73 - 7 - 7891/1.8=2 H SER 72 - HG3 LYS 96 lone 3 47 - 6 - 4.7/437=1, 4.1/9788=1 H SER 72 - HG2 LYS 65 lone 3 38 - 7 - 2123/3.9=2, 4.1/9788=2 H GLY 26 - HG3 LYS 96 lone 1 57 - 2 - 4.6/7799=1 H GLY 26 - HG2 LYS 65 lone 1 46 - 2 - Peak 7891 from cnoeabs.peaks (8.00, 1.30, 24.91 ppm; 5.48 A): 1 out of 3 assignments used, quality = 0.88: * H ILE 116 + HG3 LYS 115 OK 88 100 - 88 - 730=43, 729/1.8=31...(9) H GLY 26 - HG3 LYS 115 lone 6 73 - 8 - 7890/1.8=2, 1958/5.0=1 H SER 72 - HG3 LYS 115 lone 5 61 - 8 - 1958/5.0=2, 7890/1.8=2 Peak 7892 from cnoeabs.peaks (8.00, 1.66, 29.55 ppm; 4.98 A): 3 out of 12 assignments used, quality = 0.96: * H ILE 116 + HD2 LYS 115 OK 76 100 - 76 - 729/2.9=29, 730/2.9=28...(9) H ILE 116 + HD3 LYS 115 OK 75 99 - 76 - 729/2.9=29, 730/2.9=28...(9) H ILE 116 + HD2 LYS 65 OK 32 99 - 33 - 729/3.0=10, 3.6/6706=6...(9) H ILE 116 - HD3 LYS 65 OK 31 96 - 32 - 729/3.0=10, 3.6/6705=6...(9) H GLY 26 - HD2 LYS 115 lone 5 73 - 7 - 7891/2.9=2, 7890/2.9=1 H GLY 26 - HD3 LYS 115 lone 5 71 - 7 - 7891/2.9=2, 7890/2.9=1 H SER 72 - HD2 LYS 115 lone 4 61 - 7 - 7891/2.9=2, 7890/2.9=1 H SER 72 - HD3 LYS 115 lone 4 60 - 7 - 7891/2.9=2, 7890/2.9=1 H SER 72 - HD2 LYS 65 lone 3 59 - 5 - 2123/4.8=2 H SER 72 - HD3 LYS 65 lone 3 55 - 5 - 2123/4.8=2 H GLY 26 - HD2 LYS 65 lone 1 71 - 2 - H GLY 26 - HD3 LYS 65 lone 1 67 - 2 - Peak 7893 from cnoeabs.peaks (8.00, 1.66, 29.55 ppm; 4.98 A): 3 out of 12 assignments used, quality = 0.96: * H ILE 116 + HD3 LYS 115 OK 75 100 - 76 - 729/2.9=29, 730/2.9=28...(9) H ILE 116 + HD2 LYS 115 OK 75 99 - 76 - 729/2.9=29, 730/2.9=28...(9) H ILE 116 + HD2 LYS 65 OK 31 96 - 32 - 729/3.0=10, 3.6/6706=6...(9) H ILE 116 - HD3 LYS 65 OK 28 89 - 32 - 729/3.0=10, 3.6/6705=6...(9) H GLY 26 - HD3 LYS 115 lone 5 73 - 7 - 7891/2.9=2, 7890/2.9=1 H GLY 26 - HD2 LYS 115 lone 5 71 - 7 - 7891/2.9=2, 7890/2.9=1 H SER 72 - HD3 LYS 115 lone 4 61 - 7 - 7891/2.9=2, 7890/2.9=1 H SER 72 - HD2 LYS 115 lone 4 60 - 7 - 7891/2.9=2, 7890/2.9=1 H SER 72 - HD2 LYS 65 lone 3 55 - 5 - 2123/4.8=2 H SER 72 - HD3 LYS 65 lone 2 49 - 5 - 2123/4.8=2 H GLY 26 - HD2 LYS 65 lone 1 67 - 2 - H GLY 26 - HD3 LYS 65 lone 1 59 - 2 - Peak 7896 from cnoeabs.peaks (8.12, 3.46, 64.12 ppm; 5.43 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 117 + HA ILE 116 OK 100 100 - 100 - 3.6=100 Peak 7897 from cnoeabs.peaks (8.12, 1.63, 36.32 ppm; 4.32 A): 2 out of 3 assignments used, quality = 1.00: * H VAL 117 + HB ILE 116 OK 98 100 - 98 - 4.4=93, 4.7/6796=23...(14) H ALA 113 + HB ILE 116 OK 86 100 - 86 - 738/2.1=18, 3.0/8252=18...(21) H PHE 93 - HB ILE 116 lone 3 65 - 5 - Peak 7898 from cnoeabs.peaks (8.12, 0.04, 18.11 ppm; 4.86 A): 1 out of 1 assignment used, quality = 1.00: * H VAL 117 + QG2 ILE 116 OK 100 100 - 100 - 4.3=100 Peak 7899 from cnoeabs.peaks (8.12, 1.58, 28.89 ppm; 6.20 A): 2 out of 3 assignments used, quality = 1.00: H ALA 113 + HG12 ILE 116 OK 98 100 - 98 - ~10413=25, ~10417=25...(22) * H VAL 117 + HG12 ILE 116 OK 94 100 - 94 - 4.4/6812=42, 4.7/6810=40...(11) H PHE 93 - HG12 ILE 116 lone 4 65 - 7 - 11601/10493=2 Peak 7901 from cnoeabs.peaks (8.12, 0.68, 13.41 ppm; 5.12 A): 2 out of 3 assignments used, quality = 1.00: H ALA 113 + QD1 ILE 116 OK 95 100 - 95 - 3.0/10416=26, 738/3.0=20...(25) * H VAL 117 + QD1 ILE 116 OK 91 100 - 91 - 3.6/6825=39, 4.7/6824=28...(14) H PHE 93 - QD1 ILE 116 lone 3 65 - 5 - Peak 7902 from cnoeabs.peaks (8.03, 3.26, 67.50 ppm; 4.75 A): 1 out of 1 assignment used, quality = 1.00: * H ARG 118 + HA VAL 117 OK 100 100 - 100 - 3.6=100 Peak 7903 from cnoeabs.peaks (8.03, 2.05, 30.75 ppm; 3.99 A): 2 out of 14 assignments used, quality = 0.92: * H ARG 118 + HB VAL 117 OK 90 100 - 90 - 4.4=73, 7905/2.1=22...(9) H LYS 65 + HB VAL 117 OK 23 87 - 27 - 7905/2.1=7, 7904/2.1=6...(6) H ASP 109 - HB VAL 117 lone 9 92 - 10 - 7904/2.1=4, 7905/2.1=2 H VAL 22 - HB VAL 117 lone 5 90 - 6 - 7905/2.1=2, ~11119=1, 7904/2.1=1 H GLY 26 - HB VAL 117 lone 4 98 - 4 - H SER 72 - HB VAL 117 lone 4 100 - 4 - 7905/2.1=1 H THR 9 - HB VAL 117 lone 2 65 - 3 - H ARG 118 - HB2 GLN 28 lone 0 26 - 1 - H LYS 65 - HB2 GLN 28 lone 0 20 - 1 - H GLY 26 - HB2 GLN 28 lone 0 25 - 1 - H SER 72 - HB2 GLN 28 lone 0 26 - 1 - H ASP 109 - HB2 GLN 28 lone 0 21 - 1 - H VAL 22 - HB2 GLN 28 lone 0 21 - 0 - H THR 9 - HB2 GLN 28 lone 0 13 - 1 - Peak 7904 from cnoeabs.peaks (8.03, 0.86, 23.99 ppm; 4.26 A): 1 out of 7 assignments used, quality = 0.99: * H ARG 118 + QG2 VAL 117 OK 99 100 - 99 - 4.3=98, 7903/2.1=25...(11) H LYS 65 - QG2 VAL 117 OK 35 87 - 41 - 4.2/10520=8, 7905/2.1=8...(9) H ASP 109 - QG2 VAL 117 OK 21 92 - 23 - 10354=4, 4.0/10364=3...(9) H VAL 22 - QG2 VAL 117 lone 6 90 - 7 - 7905/2.1=2, ~11119=1, 7903/2.1=1 H GLY 26 - QG2 VAL 117 lone 5 98 - 5 - 7903/2.1=1, 3.0/10516=1 H SER 72 - QG2 VAL 117 lone 5 100 - 5 - 7903/2.1=1, 7905/2.1=1 H THR 9 - QG2 VAL 117 lone 3 65 - 4 - Peak 7905 from cnoeabs.peaks (8.03, 0.72, 21.31 ppm; 3.91 A): 2 out of 7 assignments used, quality = 0.94: * H ARG 118 + QG1 VAL 117 OK 92 100 - 92 - 4.3=76, 7903/2.1=22...(11) H LYS 65 + QG1 VAL 117 OK 30 87 - 35 - 7904/2.1=6, 3.6/10519=6...(9) H VAL 22 - QG1 VAL 117 lone 8 90 - 9 - 4.0/11117=2, 3.0/11119=2...(4) H ASP 109 - QG1 VAL 117 lone 8 92 - 9 - 10354/2.1=4, 7903/2.1=2 H SER 72 - QG1 VAL 117 lone 4 100 - 4 - 7903/2.1=1 H GLY 26 - QG1 VAL 117 lone 4 98 - 4 - 7903/2.1=1 H THR 9 - QG1 VAL 117 lone 3 65 - 4 - Peak 7906 from cnoeabs.peaks (7.92, 3.89, 60.17 ppm; 4.32 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 119 + HA ARG 118 OK 100 100 - 100 - 3.6=100 Peak 7907 from cnoeabs.peaks (7.92, 1.80, 29.70 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 119 + HB2 ARG 118 OK 100 100 - 100 - 4.2=100 Peak 7908 from cnoeabs.peaks (7.92, 1.87, 29.70 ppm; 4.90 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 119 + HB3 ARG 118 OK 100 100 - 100 - 4.2=100 Peak 7913 from cnoeabs.peaks (8.83, 4.03, 59.53 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * H PHE 120 + HA GLU 119 OK 100 100 - 100 - 3.6=100 Peak 7914 from cnoeabs.peaks (8.83, 2.12, 28.96 ppm; 4.07 A): 2 out of 12 assignments used, quality = 0.99: * H PHE 120 + HB2 GLU 119 OK 90 100 - 90 - 4.6=68, 1962/4.0=26...(16) H PHE 120 + HB3 GLU 119 OK 90 99 - 90 - 4.6=68, 1962/4.0=26...(16) H PHE 120 - HB3 GLU 92 lone 4 82 - 5 - H LYS 106 - HB2 GLU 119 lone 4 61 - 6 - 4.6/1712=2, 1962/4.0=1 H LYS 106 - HB3 GLU 119 lone 4 60 - 6 - 4.6/1712=2, 1962/4.0=1 H PHE 120 - HB2 GLU 91 lone 3 90 - 4 - H SER 58 - HB2 GLU 119 lone 2 73 - 3 - H SER 58 - HB3 GLU 119 lone 2 71 - 3 - H LYS 106 - HB2 GLU 91 lone 1 50 - 2 - H LYS 106 - HB3 GLU 92 lone 0 44 - 1 - H SER 58 - HB2 GLU 91 lone 0 60 - 1 - H SER 58 - HB3 GLU 92 lone 0 53 - 1 - Peak 7915 from cnoeabs.peaks (8.83, 2.11, 28.96 ppm; 4.07 A): 2 out of 12 assignments used, quality = 0.99: * H PHE 120 + HB3 GLU 119 OK 90 100 - 90 - 4.6=68, 1962/4.0=26...(16) H PHE 120 + HB2 GLU 119 OK 90 99 - 90 - 4.6=68, 1962/4.0=26...(16) H PHE 120 - HB3 GLU 92 lone 4 93 - 5 - H LYS 106 - HB3 GLU 119 lone 4 61 - 6 - 4.6/1712=2, 1962/4.0=1 H LYS 106 - HB2 GLU 119 lone 4 60 - 6 - 4.6/1712=2, 1962/4.0=1 H PHE 120 - HB2 GLU 91 lone 3 78 - 3 - H SER 58 - HB3 GLU 119 lone 2 73 - 3 - H SER 58 - HB2 GLU 119 lone 2 71 - 3 - H LYS 106 - HB2 GLU 91 lone 1 41 - 2 - H LYS 106 - HB3 GLU 92 lone 1 52 - 1 - H SER 58 - HB3 GLU 92 lone 0 63 - 1 - H SER 58 - HB2 GLU 91 lone 0 50 - 1 - Peak 7916 from cnoeabs.peaks (8.83, 2.08, 36.01 ppm; 5.84 A): 1 out of 3 assignments used, quality = 0.92: * H PHE 120 + HG2 GLU 119 OK 92 100 - 92 - 755/5.3=35, 7917/1.8=34...(16) H LYS 106 - HG2 GLU 119 lone 5 61 - 8 - 7917/1.8=2, 1962/5.3=2 H SER 58 - HG2 GLU 119 lone 5 73 - 6 - 7917/1.8=2, 1962/5.3=1 Peak 7917 from cnoeabs.peaks (8.83, 2.46, 36.01 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.95: * H PHE 120 + HG3 GLU 119 OK 95 100 - 95 - 7916/1.8=41, 760=40...(13) H SER 58 - HG3 GLU 119 lone 5 73 - 7 - 7916/1.8=2, 1962/5.3=1 H LYS 106 - HG3 GLU 119 lone 5 61 - 8 - 7916/1.8=2, 1962/5.3=2 Peak 7918 from cnoeabs.peaks (8.32, 4.02, 56.87 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H MET 121 + HA PHE 120 OK 100 100 - 100 - 3.6=100 Peak 7919 from cnoeabs.peaks (8.32, 3.22, 36.75 ppm; 5.39 A): 1 out of 1 assignment used, quality = 1.00: * H MET 121 + HB2 PHE 120 OK 100 100 - 100 - 4.6=100 Peak 7920 from cnoeabs.peaks (8.32, 2.34, 36.75 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H MET 121 + HB3 PHE 120 OK 100 100 - 100 - 4.6=100 Peak 7924 from cnoeabs.peaks (8.05, 3.93, 59.78 ppm; 4.89 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 122 + HA MET 121 OK 100 100 - 100 - 3.6=100 Peak 7925 from cnoeabs.peaks (8.05, 2.29, 33.64 ppm; 5.11 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 122 + HB2 MET 121 OK 100 100 - 100 - 4.6=100 Peak 7926 from cnoeabs.peaks (8.05, 2.08, 33.64 ppm; 5.02 A): 1 out of 1 assignment used, quality = 1.00: * H GLN 122 + HB3 MET 121 OK 100 100 - 100 - 4.6=100 Peak 7927 from cnoeabs.peaks (8.05, 1.92, 31.22 ppm; 6.20 A): 2 out of 7 assignments used, quality = 0.93: * H GLN 122 + HG2 MET 121 OK 91 100 - 91 - 769/4.6=42, 771/3.0=38...(8) H VAL 22 + HG2 MET 121 OK 23 70 - 33 - ~10586=11, 7929/3.4=9...(5) H LEU 90 - HG2 MET 121 lone 6 97 - 6 - 1964/4.6=3, 7929/3.4=1 H THR 9 - HG2 MET 121 lone 5 92 - 5 - 7929/3.4=1, 1964/4.6=1 H LYS 65 - HG2 MET 121 lone 5 73 - 6 - 1964/4.6=2 H HIS 131 - HG2 MET 121 lone 3 99 - 3 - H ASP 109 - HG2 MET 121 lone 2 65 - 3 - Peak 7929 from cnoeabs.peaks (8.05, 1.83, 16.54 ppm; 4.22 A): 2 out of 7 assignments used, quality = 0.83: * H GLN 122 + QE MET 121 OK 78 100 - 78 - 3.6/7021=31, 771/4.3=22...(10) H VAL 22 + QE MET 121 OK 22 70 - 31 - 4.0/10602=15...(5) H THR 9 - QE MET 121 lone 3 92 - 3 - H LEU 90 - QE MET 121 lone 3 97 - 3 - H LYS 65 - QE MET 121 lone 2 73 - 3 - H ASP 109 - QE MET 121 lone 2 65 - 2 - H HIS 131 - QE MET 121 lone 1 99 - 1 - Peak 7930 from cnoeabs.peaks (8.40, 4.13, 58.74 ppm; 3.85 A): 1 out of 1 assignment used, quality = 1.00: * H LYS 123 + HA GLN 122 OK 100 100 - 100 - 3.6=100 Peak 7931 from cnoeabs.peaks (8.40, 2.24, 28.02 ppm; 3.91 A): 2 out of 6 assignments used, quality = 0.99: * H LYS 123 + HB2 GLN 122 OK 88 100 - 88 - 4.7=59, 1965/4.0=20...(14) H LYS 123 + HB3 GLN 122 OK 88 100 - 88 - 4.7=59, 1965/4.0=20...(14) H MET 67 - HB3 GLN 122 OK 15 98 - 15 - 1965/4.0=5, 7934/3.0=3...(5) H MET 67 - HB2 GLN 122 OK 15 98 - 15 - 1965/4.0=5, 7934/3.0=3...(5) H ASP 36 - HB2 GLN 122 lone 2 87 - 2 - H ASP 36 - HB3 GLN 122 lone 2 87 - 2 - Peak 7932 from cnoeabs.peaks (8.40, 2.24, 28.02 ppm; 3.91 A): 2 out of 6 assignments used, quality = 0.99: H LYS 123 + HB2 GLN 122 OK 88 100 - 88 - 4.7=59, 1965/4.0=20...(14) * H LYS 123 + HB3 GLN 122 OK 88 100 - 88 - 4.7=59, 1965/4.0=20...(14) H MET 67 - HB3 GLN 122 OK 15 98 - 15 - 1965/4.0=5, 7934/3.0=3...(5) H MET 67 - HB2 GLN 122 OK 15 98 - 15 - 1965/4.0=5, 7934/3.0=3...(5) H ASP 36 - HB2 GLN 122 lone 2 87 - 2 - H ASP 36 - HB3 GLN 122 lone 2 87 - 2 - Peak 7933 from cnoeabs.peaks (8.40, 2.41, 33.53 ppm; 4.16 A): 6 out of 15 assignments used, quality = 0.90: * H LYS 123 + HG2 GLN 122 OK 77 100 - 77 - 781/1.8=17, 779/3.0=17...(12) H MET 67 + HG2 GLN 122 OK 21 98 - 22 - 7934/1.8=4, 1965/5.1=4...(7) H LYS 123 + HG2 GLN 85 OK 15 84 - 18 - 3.6/7031=3, 780=3...(5) H LYS 123 + HG3 GLN 85 OK 15 84 - 18 - 3.6/7031=3, 780=3...(5) H MET 67 + HG3 GLN 85 OK 14 80 - 18 - 1443=3, 1443/1.8=3...(7) H MET 67 + HG2 GLN 85 OK 14 80 - 18 - 1443/1.8=3, 1443=3...(7) H LYS 123 - HG3 GLN 62 lone 5 76 - 6 - 780=1, 780/1.8=1, 3.6/7031=1 H LYS 123 - HG2 GLN 62 lone 5 74 - 6 - 780=1, 780/1.8=1 H MET 67 - HG3 GLN 62 lone 3 72 - 4 - H MET 67 - HG2 GLN 62 lone 3 69 - 4 - H ASP 36 - HG2 GLN 122 lone 2 87 - 2 - H ASP 36 - HG3 GLN 62 lone 2 60 - 3 - H ASP 36 - HG2 GLN 62 lone 2 57 - 3 - H ASP 36 - HG3 GLN 85 lone 1 67 - 2 - H ASP 36 - HG2 GLN 85 lone 1 67 - 2 - Peak 7934 from cnoeabs.peaks (8.40, 2.52, 33.53 ppm; 5.27 A): 3 out of 6 assignments used, quality = 0.95: * H LYS 123 + HG3 GLN 122 OK 91 100 - 91 - 781=35, 4.6/1805=28...(14) H MET 67 + HG3 GLN 122 OK 25 98 - 25 - 1965/5.1=6, 7933/1.8=6...(6) H LYS 123 + HG3 GLN 25 OK 17 92 - 18 - 781=7, 4.6/1805=5...(5) H MET 67 - HG3 GLN 25 lone 3 88 - 4 - H ASP 36 - HG3 GLN 122 lone 3 87 - 3 - H ASP 36 - HG3 GLN 25 lone 1 75 - 1 - Peak 7935 from cnoeabs.peaks (8.60, 4.03, 59.24 ppm; 5.89 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 124 + HA LYS 123 OK 100 100 - 100 - 3.6=100 Peak 7936 from cnoeabs.peaks (8.60, 1.93, 32.31 ppm; 4.66 A): 1 out of 1 assignment used, quality = 1.00: * H ALA 124 + HB2 LYS 123 OK 100 100 - 100 - 4.4=100 Peak 7937 from cnoeabs.peaks (8.60, 1.91, 32.31 ppm; 4.33 A): 0 out of 1 assignment used, low quality = 0.44: H LYS 49 - HB2 LYS 49 OK 44 44 - 100 - 4.0=100 Reference assignment not found: H ALA 124 - HB3 LYS 123 Peak 7944 from cnoeabs.peaks (7.95, 4.14, 54.65 ppm; 5.60 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 125 + HA ALA 124 OK 100 100 - 100 - 3.6=100 Peak 7945 from cnoeabs.peaks (7.95, 1.50, 18.93 ppm; 4.00 A): 1 out of 1 assignment used, quality = 1.00: * H GLY 125 + QB ALA 124 OK 100 100 - 100 - 3.6=100 Peak 7946 from cnoeabs.peaks (7.86, 4.05, 46.29 ppm; 4.31 A): 2 out of 2 assignments used, quality = 1.00: * H SER 126 + HA2 GLY 125 OK 100 100 - 100 - 3.6=100 H SER 126 + HA3 GLY 125 OK 78 78 - 100 - 3.6=100 Peak 7947 from cnoeabs.peaks (7.86, 4.06, 46.29 ppm; 4.54 A): 2 out of 2 assignments used, quality = 1.00: * H SER 126 + HA3 GLY 125 OK 100 100 - 100 - 3.6=100 H SER 126 + HA2 GLY 125 OK 78 78 - 100 - 3.6=100 Peak 7948 from cnoeabs.peaks (7.88, 4.45, 59.97 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * H LEU 127 + HA SER 126 OK 100 100 - 100 - 3.6=100 Peak 7949 from cnoeabs.peaks (7.88, 4.02, 63.46 ppm; 3.43 A): 2 out of 4 assignments used, quality = 0.91: * H LEU 127 + HB2 SER 126 OK 72 100 - 72 - 4.5=44, 800/4.0=24...(7) H LEU 127 + HB3 SER 126 OK 67 93 - 72 - 4.5=44, 800/4.0=24...(7) HD21 ASN 88 - HB2 SER 126 lone 0 96 - 0 - HD21 ASN 88 - HB3 SER 126 lone 0 86 - 0 - Peak 7950 from cnoeabs.peaks (7.88, 4.03, 63.46 ppm; 3.43 A): 2 out of 4 assignments used, quality = 0.91: * H LEU 127 + HB3 SER 126 OK 72 100 - 72 - 4.5=44, 800/4.0=24...(7) H LEU 127 + HB2 SER 126 OK 67 93 - 72 - 4.5=44, 800/4.0=24...(7) HD21 ASN 88 - HB3 SER 126 lone 0 96 - 0 - HD21 ASN 88 - HB2 SER 126 lone 0 86 - 0 - Peak 7951 from cnoeabs.peaks (8.08, 4.28, 56.22 ppm; 4.04 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 128 + HA LEU 127 OK 100 100 - 100 - 3.6=100 Peak 7952 from cnoeabs.peaks (8.08, 1.93, 42.07 ppm; 4.60 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 128 + HB2 LEU 127 OK 100 100 - 100 - 4.2=100 Peak 7953 from cnoeabs.peaks (8.08, 1.61, 42.07 ppm; 4.63 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 128 + HB3 LEU 127 OK 100 100 - 100 - 4.2=100 Peak 7954 from cnoeabs.peaks (8.08, 1.86, 26.77 ppm; 6.20 A): 1 out of 8 assignments used, quality = 0.96: * H GLU 128 + HG LEU 127 OK 96 100 - 96 - 809/2.1=47, 810/2.1=47...(7) H GLU 92 - HG LEU 127 lone 9 99 - 9 - 1970/5.0=6 H GLU 128 - HG LEU 70 poor 8 83 - 10 - 2264/3.6=3, 4.6/7202=2...(4) H GLU 92 - HG LEU 70 lone 3 81 - 4 - H PHE 93 - HG LEU 127 lone 3 61 - 5 - 1970/5.0=1, 4.6/10097=1 H PHE 93 - HG LEU 70 lone 2 44 - 5 - 4.6/7656=3 H SER 99 - HG LEU 127 lone 2 77 - 3 - H SER 99 - HG LEU 70 lone 2 57 - 4 - Peak 7955 from cnoeabs.peaks (8.08, 0.93, 22.96 ppm; 5.45 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 128 + QD2 LEU 127 OK 100 100 - 100 - 4.8=100 Peak 7956 from cnoeabs.peaks (8.08, 1.01, 25.52 ppm; 6.20 A): 1 out of 1 assignment used, quality = 1.00: * H GLU 128 + QD1 LEU 127 OK 100 100 - 100 - 4.8=100 Peak 7964 from cnoeabs.peaks (8.24, 4.27, 57.61 ppm; 4.49 A): 1 out of 3 assignments used, quality = 0.85: * H ILE 15 + HA ASP 12 OK 85 100 - 85 - 1979=38, 3.8/7965=29...(9) H GLU 112 - HA ASP 12 lone 7 99 - 7 - 2713/9174=2, 2706/9155=1 H GLU 89 - HA ASP 12 lone 1 70 - 1 - Peak 7965 from cnoeabs.peaks (1.92, 4.27, 57.61 ppm; 3.06 A): 1 out of 22 assignments used, quality = 0.62: * HB ILE 15 + HA ASP 12 OK 62 100 - 62 - 7966=17, 2.1/9156=16...(12) HB3 LYS 17 - HA ASP 12 lone 3 97 - 3 - HB2 LYS 44 - HA ASP 12 lone 1 99 - 1 - HB3 LYS 44 - HA ASP 12 lone 1 94 - 1 - HG2 MET 121 - HA ASP 12 lone 1 100 - 1 - HB2 LYS 43 - HA ASP 12 lone 1 96 - 1 - HB2 LEU 45 - HA ASP 12 lone 1 90 - 1 - HB3 LYS 43 - HA ASP 12 lone 1 81 - 1 - HB2 LYS 115 - HA ASP 12 lone 1 84 - 1 - HB2 LEU 81 - HA ASP 12 lone 1 99 - 1 - HB ILE 71 - HA ASP 12 lone 1 61 - 1 - HB3 LYS 115 - HA ASP 12 lone 1 61 - 1 - HB3 LYS 123 - HA ASP 12 lone 0 100 - 0 - HB2 LYS 96 - HA ASP 12 lone 0 81 - 0 - HB2 LYS 123 - HA ASP 12 lone 0 61 - 0 - HB2 LEU 127 - HA ASP 12 lone 0 65 - 0 - HB2 GLU 128 - HA ASP 12 lone 0 81 - 0 - HB2 ARG 95 - HA ASP 12 lone 0 65 - 0 - HB2 LYS 39 - HA ASP 12 lone 0 61 - 0 - HB3 LYS 65 - HA ASP 12 lone 0 65 - 0 - HB2 LYS 49 - HA ASP 12 lone 0 73 - 0 - HB2 LYS 65 - HA ASP 12 lone 0 61 - 0 - Peak 7966 from cnoeabs.peaks (4.27, 1.92, 37.42 ppm; 3.95 A): 2 out of 5 assignments used, quality = 0.88: * HA ASP 12 + HB ILE 15 OK 86 100 - 86 - 7965=40, 9156/2.1=27...(12) HA GLU 52 + HB ILE 15 OK 11 77 - 14 - ~11351=3, 9178/2.1=3...(6) HA GLU 41 - HB ILE 15 poor 10 92 - 11 - 9178/2.1=2, 8071=2...(5) HA LYS 73 - HB ILE 15 poor 7 65 - 11 - 3.6/7360=6, 9174/3.2=2...(4) HA LEU 127 - HB ILE 15 lone 3 94 - 3 - Peak 7967 from cnoeabs.peaks (7.60, 4.27, 57.61 ppm; 4.69 A): 2 out of 7 assignments used, quality = 0.69: * H LYS 16 + HA ASP 12 OK 63 100 - 63 - 4.5/7965=27, 4.1/9156=24...(7) H LEU 74 + HA ASP 12 OK 14 99 - 15 - 7360/7965=4, 1864/7964=3...(5) H LYS 115 - HA ASP 12 lone 4 84 - 5 - 1864/7964=1 H ASP 34 - HA ASP 12 lone 3 87 - 3 - HE ARG 105 - HA ASP 12 lone 1 99 - 1 - H GLN 100 - HA ASP 12 lone 1 61 - 1 - HE21 GLN 85 - HA ASP 12 lone 1 57 - 1 - Peak 7970 from cnoeabs.peaks (1.88, 4.03, 59.01 ppm; 3.21 A): 7 out of 64 assignments used, quality = 0.78: HB2 LEU 63 + HA GLU 66 OK 26 88 - 30 - ~8110=7, ~8113=4...(10) QE MET 67 + HA GLU 66 OK 26 96 - 27 - 4948/3.6=10, 4951/3.0=4...(7) HB3 LYS 16 + HA GLU 13 OK 21 100 - 21 - 7971=4, 4.7/1989=4...(7) * HB2 LYS 16 + HA GLU 13 OK 21 100 - 21 - 7971=4, 4.7/1989=4...(7) HG2 ARG 95 + HA GLU 66 OK 17 95 - 18 - 3.0/8203=4, 3.0/8201=3...(9) HB2 ARG 95 + HA GLU 66 OK 13 63 - 21 - 1.8/8203=5, 3.9/2159=3...(10) HG2 ARG 95 + HA GLU 92 OK 10 63 - 16 - 3.0/8203=5, 4.7/2159=4...(6) HB2 ARG 95 - HA GLU 92 poor 10 38 - 26 - 1.8/8203=6, 3.9/2159=5...(11) HB2 LYS 16 - HA LYS 123 lone 6 74 - 8 - 7971=2, 3.0/11425=1...(5) HB3 LYS 16 - HA LYS 123 lone 6 74 - 8 - 7971=2, 1.8/7971=1...(5) QE MET 42 - HA GLU 66 lone 5 74 - 7 - 1444/3.6=2, 9427/3.7=2 QE MET 67 - HA LYS 123 lone 5 74 - 6 - 4948/3.0=1 HB2 LYS 16 - HA GLU 66 lone 5 96 - 5 - HB3 LYS 16 - HA GLU 66 lone 5 96 - 5 - HG LEU 45 - HA GLU 66 lone 3 96 - 4 - HG2 ARG 95 - HA LYS 123 lone 3 72 - 5 - HG2 ARG 95 - HA GLU 13 lone 3 99 - 3 - HB2 ARG 95 - HA GLU 13 lone 3 70 - 4 - HB2 LEU 63 - HA GLU 92 lone 2 56 - 4 - HB2 LYS 16 - HA GLU 92 lone 2 64 - 3 - HB3 LYS 16 - HA GLU 92 lone 2 64 - 3 - HB2 LEU 63 - HA GLU 13 lone 2 94 - 2 - HB2 ARG 95 - HA LYS 123 lone 2 44 - 4 - 3.9/2159=1, 1.8/8203=1 HB3 LYS 20 - HA GLU 13 lone 2 92 - 2 - HB2 LYS 20 - HA GLU 13 lone 2 92 - 2 - HB ILE 71 - HA LYS 123 lone 2 47 - 4 - 5076/3.6=2 HG LEU 45 - HA GLU 92 lone 2 64 - 3 - HG LEU 45 - HA LYS 123 lone 2 73 - 2 - HB ILE 71 - HA GLU 66 lone 2 67 - 2 - QE MET 67 - HA GLU 92 lone 1 64 - 2 - HB3 ARG 118 - HA GLU 66 lone 1 88 - 1 - HG LEU 45 - HA GLU 13 lone 1 100 - 1 - HB2 LYS 20 - HA GLU 66 lone 1 85 - 1 - HB3 LYS 20 - HA GLU 66 lone 1 85 - 1 - HB3 LYS 73 - HA GLU 66 lone 1 74 - 2 - HB ILE 7 - HA GLU 13 lone 1 87 - 1 - HB2 LYS 73 - HA GLU 66 lone 1 70 - 2 - QE MET 67 - HA GLU 13 lone 1 100 - 1 - HB3 LYS 73 - HA GLU 13 lone 1 81 - 1 - HB2 LYS 20 - HA LYS 123 lone 1 62 - 1 - HB3 LYS 20 - HA LYS 123 lone 1 62 - 1 - HB2 LYS 73 - HA GLU 13 lone 1 77 - 1 - QE MET 42 - HA LYS 123 lone 1 52 - 2 - HB2 LEU 63 - HA LYS 123 lone 1 65 - 1 - HB3 LYS 73 - HA LYS 123 lone 1 52 - 1 - HB ILE 7 - HA GLU 66 lone 1 80 - 1 - QE MET 42 - HA GLU 13 lone 1 81 - 1 - HB2 LYS 73 - HA LYS 123 lone 1 50 - 1 - HB2 LYS 49 - HA LYS 123 lone 1 38 - 2 - HB2 LYS 20 - HA GLU 92 lone 0 54 - 1 - HB3 LYS 20 - HA GLU 92 lone 0 54 - 1 - HB3 ARG 118 - HA LYS 123 lone 0 65 - 1 - QE MET 42 - HA GLU 92 lone 0 45 - 1 - HB3 ARG 118 - HA GLU 13 lone 0 94 - 0 - HB3 LYS 73 - HA GLU 92 lone 0 45 - 1 - HB2 LYS 73 - HA GLU 92 lone 0 43 - 1 - HB ILE 7 - HA GLU 92 lone 0 50 - 1 - HB ILE 71 - HA GLU 13 lone 0 73 - 0 - HB2 LYS 49 - HA GLU 66 lone 0 55 - 0 - HB ILE 7 - HA LYS 123 lone 0 58 - 0 - HB2 LYS 49 - HA GLU 13 lone 0 61 - 0 - HB3 ARG 118 - HA GLU 92 lone 0 56 - 0 - HB ILE 71 - HA GLU 92 lone 0 40 - 0 - HB2 LYS 49 - HA GLU 92 lone 0 32 - 0 - Peak 7971 from cnoeabs.peaks (4.03, 1.88, 32.16 ppm; 2.91 A): 8 out of 60 assignments used, quality = 0.72: HA LYS 40 + HB2 LYS 16 OK 19 99 - 20 - 11425/3.0=4, 11424/3.0=4...(8) HA LYS 40 + HB3 LYS 16 OK 19 99 - 20 - 11425/3.0=4, 11424/3.0=4...(8) HA GLU 13 + HB3 LYS 16 OK 17 100 - 17 - 7970=3, 1989/4.7=3...(7) * HA GLU 13 + HB2 LYS 16 OK 17 100 - 17 - 7970=3, 1989/4.7=3...(7) HB2 SER 126 + HB2 LYS 16 OK 11 100 - 11 - 11425/3.0=2, 11424/3.0=2...(5) HB2 SER 126 + HB3 LYS 16 OK 11 100 - 11 - 11425/3.0=2, 11424/3.0=2...(5) HB3 SER 126 + HB2 LYS 16 OK 11 99 - 11 - 11425/3.0=2, 11424/3.0=2...(7) HB3 SER 126 + HB3 LYS 16 OK 11 99 - 11 - 11425/3.0=2, 11424/3.0=2...(6) HA LYS 123 - HB2 LYS 16 lone 6 100 - 6 - 11425/3.0=1, 7970=1 HA LYS 123 - HB3 LYS 16 lone 6 100 - 6 - 11425/3.0=1, 7970=1 HA GLU 119 - HB2 LYS 16 lone 5 100 - 5 - HA GLU 119 - HB3 LYS 16 lone 5 100 - 5 - HA LYS 40 - HB2 LYS 20 lone 4 63 - 6 - 8066/1.8=1 HA LYS 40 - HB3 LYS 20 lone 4 63 - 6 - 8066/1.8=1 HA GLU 66 - HB2 LYS 16 lone 4 100 - 4 - HA GLU 66 - HB3 LYS 16 lone 4 100 - 4 - HA3 GLY 75 - HB2 LYS 16 lone 3 81 - 4 - HA3 GLY 75 - HB3 LYS 16 lone 3 80 - 4 - HA PHE 120 - HB2 LYS 16 lone 3 99 - 3 - HA PHE 120 - HB3 LYS 16 lone 3 99 - 3 - HA GLU 92 - HB2 LYS 16 lone 2 98 - 2 - HA GLU 92 - HB3 LYS 16 lone 2 98 - 2 - HA LYS 40 - HB3 LYS 73 lone 2 61 - 3 - HA GLU 87 - HB2 LYS 16 lone 1 94 - 1 - HA GLU 87 - HB3 LYS 16 lone 1 94 - 1 - HA GLU 13 - HB2 LYS 20 lone 1 65 - 2 - HA GLU 13 - HB3 LYS 20 lone 1 65 - 2 - HA GLU 119 - HB3 LYS 20 lone 1 65 - 2 - HA GLU 119 - HB2 LYS 20 lone 1 65 - 2 - HA GLU 66 - HB3 LYS 73 lone 1 63 - 1 - HA LYS 123 - HB3 LYS 20 lone 1 65 - 1 - HA LYS 123 - HB2 LYS 20 lone 1 65 - 1 - HA GLU 66 - HB2 LYS 20 lone 1 65 - 1 - HA GLU 66 - HB3 LYS 20 lone 1 65 - 1 - HA LYS 123 - HB3 LYS 73 lone 1 62 - 1 - HA3 GLY 75 - HB3 LYS 73 lone 1 44 - 2 - 1983/4.3=2 HA GLU 13 - HB3 LYS 73 lone 1 63 - 1 - HA GLU 119 - HB3 LYS 73 lone 1 62 - 1 - HA GLU 92 - HB3 LYS 20 lone 0 61 - 1 - HA GLU 92 - HB2 LYS 20 lone 0 61 - 1 - HB2 SER 126 - HB3 LYS 73 lone 0 62 - 1 - HB3 SER 126 - HB3 LYS 73 lone 0 61 - 1 - HB2 SER 126 - HB2 LYS 20 lone 0 64 - 1 - HB2 SER 126 - HB3 LYS 20 lone 0 64 - 1 - HB3 SER 126 - HB3 LYS 20 lone 0 63 - 1 - HB3 SER 126 - HB2 LYS 20 lone 0 63 - 1 - HA GLU 92 - HB3 LYS 73 lone 0 59 - 1 - HA PHE 120 - HB3 LYS 73 lone 0 61 - 1 - HA3 GLY 101 - HB2 LYS 16 lone 0 70 - 0 - HA3 GLY 101 - HB3 LYS 16 lone 0 69 - 0 - HA PHE 120 - HB2 LYS 20 lone 0 63 - 0 - HA PHE 120 - HB3 LYS 20 lone 0 63 - 0 - HA GLU 87 - HB3 LYS 73 lone 0 54 - 0 - HA GLU 87 - HB3 LYS 20 lone 0 56 - 0 - HA GLU 87 - HB2 LYS 20 lone 0 56 - 0 - HA3 GLY 75 - HB3 LYS 20 lone 0 46 - 0 - HA3 GLY 75 - HB2 LYS 20 lone 0 46 - 0 - HA3 GLY 101 - HB3 LYS 73 lone 0 36 - 0 - HA3 GLY 101 - HB3 LYS 20 lone 0 38 - 0 - HA3 GLY 101 - HB2 LYS 20 lone 0 38 - 0 - Peak 7972 from cnoeabs.peaks (1.88, 4.03, 59.01 ppm; 3.21 A): 7 out of 64 assignments used, quality = 0.78: QE MET 67 + HA GLU 66 OK 26 96 - 27 - 4948/3.6=10, 4951/3.0=4...(7) HB2 LEU 63 + HA GLU 66 OK 25 85 - 30 - ~8110=7, ~8113=4...(10) * HB3 LYS 16 + HA GLU 13 OK 21 100 - 21 - 7971=4, 4.7/1989=4...(7) HB2 LYS 16 + HA GLU 13 OK 21 100 - 21 - 7971=4, 4.7/1989=4...(7) HG2 ARG 95 + HA GLU 66 OK 17 94 - 18 - 3.0/8203=4, 3.0/8201=3...(9) HB2 ARG 95 + HA GLU 66 OK 14 67 - 21 - 1.8/8203=5, 3.9/2159=3...(10) HB2 ARG 95 + HA GLU 92 OK 10 40 - 26 - 1.8/8203=6, 3.9/2159=5...(11) HG2 ARG 95 - HA GLU 92 poor 10 62 - 16 - 3.0/8203=5, 4.7/2159=4...(6) HB3 LYS 16 - HA LYS 123 lone 6 74 - 8 - 7971=2, 1.8/7971=1...(5) HB2 LYS 16 - HA LYS 123 lone 6 74 - 8 - 7971=2, 3.0/11425=1...(5) QE MET 42 - HA GLU 66 lone 5 70 - 7 - 1444/3.6=2, 9427/3.7=2 QE MET 67 - HA LYS 123 lone 5 74 - 6 - 4948/3.0=1 HB2 LYS 16 - HA GLU 66 lone 5 96 - 5 - HB3 LYS 16 - HA GLU 66 lone 5 96 - 5 - HG LEU 45 - HA GLU 66 lone 3 96 - 4 - HG2 ARG 95 - HA LYS 123 lone 3 71 - 5 - HB2 ARG 95 - HA GLU 13 lone 3 73 - 4 - HG2 ARG 95 - HA GLU 13 lone 3 99 - 3 - HB2 LEU 63 - HA GLU 92 lone 2 54 - 4 - HB2 LYS 16 - HA GLU 92 lone 2 64 - 3 - HB3 LYS 16 - HA GLU 92 lone 2 64 - 3 - HB2 ARG 95 - HA LYS 123 lone 2 47 - 4 - 3.9/2159=1, 1.8/8203=1 HB ILE 71 - HA LYS 123 lone 2 50 - 4 - 5076/3.6=2 HB2 LYS 20 - HA GLU 13 lone 2 94 - 2 - HB3 LYS 20 - HA GLU 13 lone 2 94 - 2 - HB2 LEU 63 - HA GLU 13 lone 2 92 - 2 - HG LEU 45 - HA GLU 92 lone 2 64 - 3 - HG LEU 45 - HA LYS 123 lone 2 74 - 2 - HB ILE 71 - HA GLU 66 lone 2 70 - 2 - QE MET 67 - HA GLU 92 lone 1 64 - 2 - HG LEU 45 - HA GLU 13 lone 1 100 - 1 - HB3 LYS 20 - HA GLU 66 lone 1 88 - 1 - HB2 LYS 20 - HA GLU 66 lone 1 88 - 1 - HB3 LYS 73 - HA GLU 66 lone 1 77 - 2 - HB3 ARG 118 - HA GLU 66 lone 1 85 - 1 - HB ILE 7 - HA GLU 13 lone 1 90 - 1 - HB2 LYS 73 - HA GLU 66 lone 1 74 - 2 - QE MET 67 - HA GLU 13 lone 1 100 - 1 - HB3 LYS 73 - HA GLU 13 lone 1 84 - 1 - HB2 LYS 73 - HA GLU 13 lone 1 81 - 1 - HB3 LYS 20 - HA LYS 123 lone 1 65 - 1 - HB2 LYS 20 - HA LYS 123 lone 1 65 - 1 - HB2 LEU 63 - HA LYS 123 lone 1 62 - 1 - QE MET 42 - HA LYS 123 lone 1 50 - 2 - HB3 LYS 73 - HA LYS 123 lone 1 55 - 1 - HB ILE 7 - HA GLU 66 lone 1 83 - 1 - HB2 LYS 73 - HA LYS 123 lone 1 52 - 1 - HB2 LYS 49 - HA LYS 123 lone 1 41 - 2 - QE MET 42 - HA GLU 13 lone 1 77 - 1 - HB3 LYS 20 - HA GLU 92 lone 0 56 - 1 - HB2 LYS 20 - HA GLU 92 lone 0 56 - 1 - HB3 ARG 118 - HA LYS 123 lone 0 62 - 1 - QE MET 42 - HA GLU 92 lone 0 43 - 1 - HB3 ARG 118 - HA GLU 13 lone 0 92 - 0 - HB3 LYS 73 - HA GLU 92 lone 0 47 - 1 - HB2 LYS 73 - HA GLU 92 lone 0 45 - 1 - HB ILE 7 - HA GLU 92 lone 0 52 - 1 - HB ILE 71 - HA GLU 13 lone 0 77 - 0 - HB2 LYS 49 - HA GLU 66 lone 0 59 - 0 - HB ILE 7 - HA LYS 123 lone 0 60 - 0 - HB2 LYS 49 - HA GLU 13 lone 0 65 - 0 - HB ILE 71 - HA GLU 92 lone 0 43 - 0 - HB3 ARG 118 - HA GLU 92 lone 0 54 - 0 - HB2 LYS 49 - HA GLU 92 lone 0 35 - 0 - Peak 7973 from cnoeabs.peaks (4.03, 1.88, 32.16 ppm; 2.91 A): 8 out of 72 assignments used, quality = 0.72: HA LYS 40 + HB3 LYS 16 OK 19 99 - 20 - 11425/3.0=4, 11424/3.0=4...(8) HA LYS 40 + HB2 LYS 16 OK 19 99 - 20 - 11425/3.0=4, 11424/3.0=4...(8) * HA GLU 13 + HB3 LYS 16 OK 17 100 - 17 - 7970=3, 1989/4.7=3...(7) HA GLU 13 + HB2 LYS 16 OK 17 100 - 17 - 7970=3, 1989/4.7=3...(7) HB2 SER 126 + HB3 LYS 16 OK 11 100 - 11 - 11425/3.0=2, 11424/3.0=2...(5) HB2 SER 126 + HB2 LYS 16 OK 11 100 - 11 - 11425/3.0=2, 11424/3.0=2...(5) HB3 SER 126 + HB3 LYS 16 OK 11 99 - 11 - 11425/3.0=2, 11424/3.0=2...(6) HB3 SER 126 + HB2 LYS 16 OK 11 99 - 11 - 11425/3.0=2, 11424/3.0=2...(7) HA LYS 123 - HB2 LYS 16 lone 6 100 - 6 - 11425/3.0=1, 7970=1 HA LYS 123 - HB3 LYS 16 lone 6 100 - 6 - 11425/3.0=1, 7970=1 HA GLU 119 - HB3 LYS 16 lone 5 100 - 5 - HA GLU 119 - HB2 LYS 16 lone 5 100 - 5 - HA LYS 40 - HB2 LYS 20 lone 4 67 - 7 - 8066/1.8=1 HA LYS 40 - HB3 LYS 20 lone 4 67 - 7 - 8066/1.8=1 HA GLU 66 - HB2 LYS 16 lone 4 100 - 4 - HA GLU 66 - HB3 LYS 16 lone 4 100 - 4 - HA3 GLY 75 - HB3 LYS 16 lone 3 81 - 4 - HA3 GLY 75 - HB2 LYS 16 lone 3 80 - 4 - HA PHE 120 - HB3 LYS 16 lone 3 99 - 3 - HA PHE 120 - HB2 LYS 16 lone 3 99 - 3 - HA GLU 92 - HB2 LYS 16 lone 2 98 - 2 - HA GLU 92 - HB3 LYS 16 lone 2 98 - 2 - HA LYS 40 - HB3 LYS 73 lone 2 66 - 3 - HA LYS 40 - HB2 LYS 73 lone 2 61 - 3 - HA GLU 13 - HB2 LYS 20 lone 1 69 - 2 - HA GLU 13 - HB3 LYS 20 lone 1 69 - 2 - HA GLU 119 - HB3 LYS 20 lone 1 69 - 2 - HA GLU 119 - HB2 LYS 20 lone 1 69 - 2 - HA GLU 87 - HB3 LYS 16 lone 1 94 - 1 - HA GLU 87 - HB2 LYS 16 lone 1 94 - 1 - HA GLU 66 - HB3 LYS 73 lone 1 68 - 1 - HA LYS 123 - HB2 LYS 20 lone 1 69 - 1 - HA LYS 123 - HB3 LYS 20 lone 1 69 - 1 - HA GLU 66 - HB3 LYS 20 lone 1 69 - 1 - HA GLU 66 - HB2 LYS 20 lone 1 69 - 1 - HA LYS 123 - HB3 LYS 73 lone 1 68 - 1 - HA GLU 66 - HB2 LYS 73 lone 1 63 - 1 - HA3 GLY 75 - HB3 LYS 73 lone 1 48 - 2 - 1983/4.3=2 HA3 GLY 75 - HB2 LYS 73 lone 1 44 - 2 - 1983/4.3=2 HA LYS 123 - HB2 LYS 73 lone 1 62 - 1 - HA GLU 13 - HB3 LYS 73 lone 1 68 - 1 - HA GLU 13 - HB2 LYS 73 lone 1 63 - 1 - HA GLU 119 - HB3 LYS 73 lone 1 68 - 1 - HA GLU 119 - HB2 LYS 73 lone 1 62 - 1 - HB2 SER 126 - HB3 LYS 73 lone 0 67 - 1 - HA GLU 92 - HB3 LYS 20 lone 0 65 - 1 - HA GLU 92 - HB2 LYS 20 lone 0 65 - 1 - HB3 SER 126 - HB3 LYS 73 lone 0 66 - 1 - HB2 SER 126 - HB2 LYS 73 lone 0 62 - 1 - HB2 SER 126 - HB3 LYS 20 lone 0 68 - 1 - HB2 SER 126 - HB2 LYS 20 lone 0 68 - 1 - HA GLU 92 - HB3 LYS 73 lone 0 64 - 1 - HB3 SER 126 - HB2 LYS 73 lone 0 61 - 1 - HA PHE 120 - HB3 LYS 73 lone 0 66 - 1 - HB3 SER 126 - HB2 LYS 20 lone 0 67 - 1 - HB3 SER 126 - HB3 LYS 20 lone 0 67 - 1 - HA GLU 92 - HB2 LYS 73 lone 0 59 - 1 - HA3 GLY 101 - HB3 LYS 16 lone 0 70 - 0 - HA3 GLY 101 - HB2 LYS 16 lone 0 69 - 0 - HA PHE 120 - HB2 LYS 73 lone 0 61 - 1 - HA PHE 120 - HB3 LYS 20 lone 0 67 - 0 - HA PHE 120 - HB2 LYS 20 lone 0 67 - 0 - HA GLU 87 - HB3 LYS 73 lone 0 59 - 0 - HA GLU 87 - HB2 LYS 73 lone 0 54 - 0 - HA GLU 87 - HB2 LYS 20 lone 0 60 - 0 - HA GLU 87 - HB3 LYS 20 lone 0 60 - 0 - HA3 GLY 75 - HB3 LYS 20 lone 0 49 - 0 - HA3 GLY 75 - HB2 LYS 20 lone 0 49 - 0 - HA3 GLY 101 - HB3 LYS 73 lone 0 40 - 0 - HA3 GLY 101 - HB2 LYS 73 lone 0 36 - 0 - HA3 GLY 101 - HB3 LYS 20 lone 0 41 - 0 - HA3 GLY 101 - HB2 LYS 20 lone 0 41 - 0 - Peak 7976 from cnoeabs.peaks (7.58, 3.98, 57.26 ppm; 3.73 A): 1 out of 1 assignment used, quality = 0.98: H LEU 14 + HA LEU 14 OK 98 98 - 100 - 3.0=100 Reference assignment not found: H LYS 17 - HA LEU 14 Peak 7977 from cnoeabs.peaks (1.99, 3.98, 57.26 ppm; 4.28 A): 2 out of 4 assignments used, quality = 0.74: * HB2 LYS 17 + HA LEU 14 OK 69 100 - 69 - 1.8/7979=15...(13) HB VAL 22 + HA LEU 14 OK 15 94 - 16 - 2.1/9164=3, 2.1/2641=3...(7) HB2 LYS 40 - HA LEU 14 lone 4 100 - 4 - HB3 GLU 103 - HA LEU 14 lone 1 98 - 1 - Peak 7978 from cnoeabs.peaks (3.98, 1.99, 33.06 ppm; 3.86 A): 1 out of 1 assignment used, quality = 0.97: HA LYS 17 + HB2 LYS 17 OK 97 97 - 100 - 3.0=100 Reference assignment not found: HA LEU 14 - HB2 LYS 17 Peak 7979 from cnoeabs.peaks (1.92, 3.98, 57.26 ppm; 4.22 A): 3 out of 16 assignments used, quality = 0.91: * HB3 LYS 17 + HA LEU 14 OK 73 100 - 73 - 1.8/7977=29...(13) HB ILE 15 + HA LEU 14 OK 57 97 - 59 - 1097/3.6=22, 2.9/9163=17...(10) HG2 MET 121 + HA LEU 14 OK 25 99 - 25 - 3.4/10585=14, 9162/3.0=3...(5) HB2 LYS 115 - HA LEU 14 lone 8 98 - 8 - 4.0/11179=1 HB3 LYS 115 - HA LEU 14 lone 6 87 - 7 - 4.0/11179=1 HB2 LYS 39 - HA LEU 14 lone 5 87 - 6 - 9162/3.0=1 HB2 LEU 81 - HA LEU 14 lone 4 100 - 4 - HB3 LYS 123 - HA LEU 14 lone 3 96 - 3 - HB2 LYS 123 - HA LEU 14 lone 3 87 - 3 - HB2 LYS 43 - HA LEU 14 lone 2 77 - 3 - HB3 LYS 65 - HA LEU 14 lone 2 90 - 3 - HB2 LYS 65 - HA LEU 14 lone 2 87 - 3 - HB2 LYS 44 - HA LEU 14 lone 2 90 - 2 - HB2 LEU 45 - HA LEU 14 lone 2 65 - 3 - HB2 LEU 127 - HA LEU 14 lone 2 90 - 2 - HB3 LYS 44 - HA LEU 14 lone 2 73 - 2 - Peak 7980 from cnoeabs.peaks (3.98, 1.92, 33.06 ppm; 3.81 A): 1 out of 1 assignment used, quality = 0.97: HA LYS 17 + HB3 LYS 17 OK 97 97 - 100 - 3.0=100 Reference assignment not found: HA LEU 14 - HB3 LYS 17 Peak 7981 from cnoeabs.peaks (8.79, 3.98, 57.26 ppm; 5.58 A): 2 out of 6 assignments used, quality = 0.67: * H ILE 18 + HA LEU 14 OK 63 100 - 63 - 4.6/7977=27, 92/3.0=13...(12) H MET 42 + HA LEU 14 OK 11 98 - 12 - 9411/3.0=4, ~8080=2...(4) H ILE 5 - HA LEU 14 poor 8 57 - 15 - 5.0/9063=8, 4.6/2641=3 H ILE 54 - HA LEU 14 lone 4 61 - 6 - 4.8/9164=4 H ASN 59 - HA LEU 14 lone 3 94 - 4 - 4.0/10769=1 H VAL 29 - HA LEU 14 lone 2 94 - 2 - Peak 7983 from cnoeabs.peaks (8.79, 3.22, 66.59 ppm; 4.57 A): 1 out of 6 assignments used, quality = 0.67: * H ILE 18 + HA ILE 15 OK 67 100 - 67 - 1993=29, 3.9/7985=13...(9) H ASN 59 - HA ILE 15 lone 8 94 - 9 - 9612/3.2=3, 9612/11687=3 H MET 42 - HA ILE 15 lone 6 98 - 6 - 1985/3.6=4 H ILE 5 - HA ILE 15 lone 5 57 - 10 - 4.6/11658=4, 5.0/2683=3 H VAL 29 - HA ILE 15 lone 4 94 - 4 - 9242/9559=2 H ILE 54 - HA ILE 15 lone 3 61 - 5 - 4.8/2683=2 Peak 7984 from cnoeabs.peaks (1.82, 3.22, 66.59 ppm; 3.75 A): 5 out of 10 assignments used, quality = 0.91: HB2 LEU 14 + HA ILE 15 OK 62 100 - 62 - 70/2.9=14, ~71=13...(16) * HB ILE 18 + HA ILE 15 OK 52 100 - 52 - 7985=16, 2.1/10773=13...(9) HB ILE 57 + HA ILE 15 OK 34 100 - 34 - 3.2/9559=15, 2.1/11687=7...(8) QE MET 121 + HA ILE 15 OK 14 94 - 15 - 70/2.9=3, 10602/3.9=3...(5) HG12 ILE 5 + HA ILE 15 OK 14 81 - 17 - 2.1/2683=4, ~1100=3...(7) HB3 LYS 19 - HA ILE 15 poor 9 84 - 11 - 4.0/7986=8, ~10913=1 HB ILE 3 - HA ILE 15 lone 2 77 - 2 - HB3 ARG 105 - HA ILE 15 lone 1 99 - 1 - HG2 ARG 105 - HA ILE 15 lone 1 73 - 1 - HB ILE 97 - HA ILE 15 lone 1 84 - 1 - Peak 7985 from cnoeabs.peaks (3.22, 1.82, 37.56 ppm; 4.16 A): 4 out of 4 assignments used, quality = 0.82: * HA ILE 15 + HB ILE 18 OK 56 100 - 56 - 7983/3.9=16...(10) HB2 PHE 120 + HB ILE 18 OK 48 100 - 48 - 9190/2.1=9, 9192/3.2=9...(16) HD2 ARG 95 + HB ILE 18 OK 11 100 - 10 - 9190/2.1=2, 1993/3.9=2...(6) HD3 ARG 95 + HB ILE 18 OK 11 99 - 10 - 9190/2.1=2, ~9190=2...(6) Peak 7986 from cnoeabs.peaks (8.53, 3.22, 66.59 ppm; 5.47 A): 2 out of 3 assignments used, quality = 0.80: * H LYS 19 + HA ILE 15 OK 65 100 - 66 - 1999=24, 4.6/7983=23...(8) H ILE 57 + HA ILE 15 OK 42 94 - 45 - 4.9/9559=22...(7) H ASN 88 - HA ILE 15 lone 3 99 - 3 - Peak 7988 from cnoeabs.peaks (8.53, 3.84, 60.17 ppm; 4.66 A): 1 out of 3 assignments used, quality = 0.82: * H LYS 19 + HA LYS 16 OK 82 100 - 82 - 1998=38, 4.0/7989=28...(9) H ILE 57 - HA LYS 16 poor 10 94 - 10 - 1990/3.6=3, 109/2004=2 H ASN 88 - HA LYS 16 lone 3 99 - 3 - 1990/3.6=2 Peak 7989 from cnoeabs.peaks (1.79, 3.84, 60.17 ppm; 3.60 A): 1 out of 9 assignments used, quality = 0.63: * HB2 LYS 19 + HA LYS 16 OK 63 100 - 63 - 1.8/7991=28, 7990=16...(8) HB2 LEU 64 - HA LYS 16 lone 4 100 - 4 - 1.8/2724=1 HB VAL 32 - HA LYS 16 lone 4 87 - 4 - HG12 ILE 5 - HA LYS 16 lone 2 61 - 3 - HB2 LEU 90 - HA LYS 16 lone 1 87 - 1 - HB2 ARG 118 - HA LYS 16 lone 1 90 - 1 - HB3 GLN 28 - HA LYS 16 lone 1 99 - 1 - HG2 ARG 105 - HA LYS 16 lone 0 70 - 1 - HB ILE 3 - HA LYS 16 lone 0 65 - 0 - Peak 7990 from cnoeabs.peaks (3.84, 1.79, 32.33 ppm; 4.68 A): 2 out of 3 assignments used, quality = 0.88: * HA LYS 16 + HB2 LYS 19 OK 84 100 - 84 - 7989=41, 7991/1.8=34...(8) HA LYS 39 + HB2 LYS 19 OK 26 100 - 26 - 7992/1.8=8, 1998/4.0=5...(7) HA2 GLY 75 - HB2 LYS 19 lone 8 97 - 8 - 7992/1.8=2, 1998/4.0=2 Peak 7991 from cnoeabs.peaks (1.83, 3.84, 60.17 ppm; 3.27 A): 1 out of 10 assignments used, quality = 0.58: * HB3 LYS 19 + HA LYS 16 OK 58 100 - 58 - 1.8/7989=25, 7992=16...(8) HB ILE 18 - HA LYS 16 poor 9 84 - 11 - 4.5/7988=10 HB2 LEU 14 - HA LYS 16 lone 4 90 - 5 - ~81=1, 3.0/2725=1 HB ILE 57 - HA LYS 16 lone 4 90 - 5 - 4.0/7988=1, 4502/1998=1 HB3 LYS 77 - HA LYS 16 lone 4 97 - 4 - 7992=1, 1.8/7992=1 HB2 LYS 77 - HA LYS 16 lone 4 94 - 4 - 1.8/7992=1, 7992=1 HD2 LYS 123 - HA LYS 16 lone 1 94 - 1 - QE MET 121 - HA LYS 16 lone 1 99 - 1 - HB3 ARG 105 - HA LYS 16 lone 0 65 - 0 - HG LEU 70 - HA LYS 16 lone 0 81 - 0 - Peak 7992 from cnoeabs.peaks (3.84, 1.83, 32.33 ppm; 4.03 A): 2 out of 9 assignments used, quality = 0.83: * HA LYS 16 + HB3 LYS 19 OK 78 100 - 78 - 7989/1.8=36, 7991=34...(8) HA LYS 39 + HB3 LYS 19 OK 21 100 - 21 - 7990/1.8=7, 1998/4.0=4...(7) HA2 GLY 75 - HB3 LYS 19 lone 6 97 - 6 - 7990/1.8=2, 1998/4.0=1 HA LYS 16 - HB3 LYS 77 lone 6 87 - 6 - 7991=2, 7991/1.8=2 HA LYS 39 - HB3 LYS 77 lone 6 87 - 6 - ~7695=1, ~7694=1 HA LYS 16 - HB2 LYS 77 lone 5 81 - 6 - 7991=2, 7991/1.8=2 HA LYS 39 - HB2 LYS 77 lone 5 80 - 6 - ~7695=1, ~7694=1 HA2 GLY 75 - HB3 LYS 77 lone 0 81 - 1 - HA2 GLY 75 - HB2 LYS 77 lone 0 75 - 1 - Peak 7993 from cnoeabs.peaks (7.30, 3.84, 60.17 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.88: * H LYS 20 + HA LYS 16 OK 88 100 - 88 - 4.4/7989=38, 2004=36...(15) HE21 GLN 100 - HA LYS 16 lone 2 70 - 2 - Peak 7995 from cnoeabs.peaks (7.30, 3.99, 59.84 ppm; 4.87 A): 1 out of 2 assignments used, quality = 0.67: * H LYS 20 + HA LYS 17 OK 67 100 - 67 - 2003=28, 1995/3.6=20...(10) HE21 GLN 100 - HA LYS 17 lone 1 70 - 2 - Peak 7996 from cnoeabs.peaks (1.89, 3.99, 59.84 ppm; 3.12 A): 4 out of 21 assignments used, quality = 0.86: * HB2 LYS 20 + HA LYS 17 OK 40 100 - 40 - 3.9/7995=10, 2.9/11542=6...(13) HB3 LYS 20 + HA LYS 17 OK 40 100 - 40 - 3.9/7995=10, 2.9/11542=6...(13) HB3 LYS 16 + HA LYS 17 OK 38 94 - 40 - 85/3.0=7, ~7368=5...(13) HB2 LYS 16 + HA LYS 17 OK 37 92 - 40 - 85/3.0=7, ~7368=5...(13) HB2 LYS 73 - HA LYS 17 lone 4 99 - 4 - HB3 LYS 73 - HA LYS 17 lone 4 99 - 4 - HB2 LYS 96 - HA LYS 17 lone 3 90 - 3 - HB3 LYS 43 - HA LYS 17 lone 2 90 - 3 - HB2 LYS 43 - HA LYS 17 lone 2 70 - 2 - HB ILE 71 - HA LYS 17 lone 1 98 - 1 - HB ILE 7 - HA LYS 17 lone 1 100 - 1 - QE MET 67 - HA LYS 17 lone 1 92 - 1 - HB3 LYS 44 - HA LYS 17 lone 1 73 - 1 - HB2 ARG 95 - HA LYS 17 lone 1 97 - 1 - HB2 LEU 63 - HA LYS 17 lone 1 61 - 1 - HG2 ARG 95 - HA LYS 17 lone 1 81 - 1 - HG LEU 45 - HA LYS 17 lone 1 96 - 1 - HB2 LYS 49 - HA LYS 17 lone 1 94 - 1 - HB2 LEU 45 - HA LYS 17 lone 0 81 - 1 - HB2 GLU 128 - HA LYS 17 lone 0 90 - 0 - HB3 ARG 118 - HA LYS 17 lone 0 61 - 0 - Peak 7997 from cnoeabs.peaks (3.99, 1.89, 31.98 ppm; 3.21 A): 6 out of 64 assignments used, quality = 0.95: HA LYS 17 + HB3 LYS 20 OK 47 100 - 47 - 7996=11, 7995/3.9=11...(13) * HA LYS 17 + HB2 LYS 20 OK 47 100 - 47 - 7996=11, 7995/3.9=11...(13) HB3 SER 99 + HB2 LYS 96 OK 37 72 - 52 - 8228/3.0=13, ~8210=7...(17) HB2 SER 99 + HB2 LYS 96 OK 37 72 - 52 - 8228/3.0=13, ~8210=7...(17) HA LYS 17 + HB3 LYS 16 OK 34 69 - 49 - 7996=11, 7998/1.8=7...(13) HA LYS 17 + HB2 LYS 16 OK 32 65 - 49 - 7996=10, 7996/1.8=8...(13) HB2 SER 99 - HB2 LYS 20 OK 15 99 - 15 - 11543/2.9=3, 11542/2.9=3...(5) HB3 SER 99 - HB3 LYS 20 OK 15 99 - 15 - 11543/2.9=3, 11542/2.9=3...(5) HB3 SER 99 - HB2 LYS 20 OK 15 99 - 15 - 11543/2.9=3, 11542/2.9=3...(5) HB2 SER 99 - HB3 LYS 20 OK 15 99 - 15 - 11543/2.9=3, 11542/2.9=3...(5) HA LEU 14 - HB2 LYS 20 lone 9 97 - 9 - 2003/3.9=3, 11542/2.9=2 HA LEU 14 - HB3 LYS 20 lone 9 97 - 9 - 2003/3.9=3, 11542/2.9=2 HA LEU 14 - HB3 LYS 16 poor 7 63 - 11 - ~7369=2, ~7368=2...(7) HA LEU 14 - HB2 LYS 16 poor 7 60 - 11 - ~7369=2, ~7368=2...(7) HA LYS 17 - HB2 LYS 73 lone 4 84 - 5 - 7996=1 HA LYS 17 - HB3 LYS 73 lone 4 86 - 5 - 7996=1 HA LYS 17 - HB2 LYS 96 lone 3 74 - 4 - HA LYS 17 - HB3 LYS 43 lone 3 78 - 3 - HA GLU 111 - HB3 LYS 20 lone 2 99 - 2 - HA GLU 111 - HB2 LYS 20 lone 2 99 - 2 - HA GLU 112 - HB3 LYS 20 lone 1 99 - 1 - HA GLU 112 - HB2 LYS 20 lone 1 99 - 1 - HA LEU 14 - HB3 LYS 43 lone 1 72 - 1 - HB2 SER 99 - HB3 LYS 73 lone 1 84 - 1 - HB3 SER 99 - HB3 LYS 73 lone 1 84 - 1 - HB2 SER 99 - HB2 LYS 73 lone 1 82 - 1 - HB3 SER 99 - HB2 LYS 73 lone 1 82 - 1 - HB2 SER 99 - HB3 LYS 43 lone 1 76 - 1 - HB3 SER 99 - HB3 LYS 43 lone 1 76 - 1 - HA LEU 14 - HB2 LYS 73 lone 1 78 - 1 - HA LEU 14 - HB3 LYS 73 lone 1 80 - 1 - HA GLU 112 - HB3 LYS 16 lone 1 66 - 1 - HA GLU 112 - HB3 LYS 73 lone 1 83 - 1 - HA GLU 112 - HB2 LYS 73 lone 1 81 - 1 - HA GLU 112 - HB2 LYS 16 lone 1 62 - 1 - HA3 GLY 75 - HB3 LYS 20 lone 1 57 - 1 - HA3 GLY 75 - HB2 LYS 20 lone 1 57 - 1 - HA GLU 112 - HB2 LYS 96 lone 1 71 - 1 - HA LEU 14 - HB2 LYS 96 lone 0 68 - 1 - HA GLU 111 - HB2 LYS 96 lone 0 72 - 1 - HA GLU 111 - HB3 LYS 16 lone 0 67 - 1 - HA3 GLY 101 - HB3 LYS 20 lone 0 70 - 1 - HA3 GLY 101 - HB2 LYS 20 lone 0 70 - 1 - HA GLU 111 - HB2 LYS 16 lone 0 63 - 1 - HA GLU 111 - HB3 LYS 73 lone 0 84 - 0 - HA3 GLY 75 - HB3 LYS 73 lone 0 43 - 1 - HA3 GLY 75 - HB2 LYS 73 lone 0 42 - 1 - HA GLU 111 - HB2 LYS 73 lone 0 82 - 0 - HA3 GLY 75 - HB3 LYS 16 lone 0 33 - 1 - HA3 GLY 75 - HB2 LYS 16 lone 0 30 - 1 - HA GLU 112 - HB3 LYS 43 lone 0 75 - 0 - HA GLU 111 - HB3 LYS 43 lone 0 76 - 0 - HB2 SER 99 - HB3 LYS 16 lone 0 67 - 0 - HB3 SER 99 - HB3 LYS 16 lone 0 67 - 0 - HB2 SER 99 - HB2 LYS 16 lone 0 63 - 0 - HB3 SER 99 - HB2 LYS 16 lone 0 63 - 0 - HA3 GLY 101 - HB3 LYS 73 lone 0 53 - 0 - HA3 GLY 101 - HB2 LYS 96 lone 0 44 - 0 - HA3 GLY 101 - HB2 LYS 73 lone 0 52 - 0 - HA3 GLY 101 - HB3 LYS 43 lone 0 47 - 0 - HA3 GLY 75 - HB2 LYS 96 lone 0 35 - 0 - HA3 GLY 75 - HB3 LYS 43 lone 0 38 - 0 - HA3 GLY 101 - HB3 LYS 16 lone 0 41 - 0 - HA3 GLY 101 - HB2 LYS 16 lone 0 38 - 0 - Peak 7998 from cnoeabs.peaks (1.89, 3.99, 59.84 ppm; 3.12 A): 4 out of 21 assignments used, quality = 0.86: HB2 LYS 20 + HA LYS 17 OK 40 100 - 40 - 3.9/7995=10, 2.9/11542=6...(13) * HB3 LYS 20 + HA LYS 17 OK 40 100 - 40 - 3.9/7995=10, 2.9/11542=6...(13) HB3 LYS 16 + HA LYS 17 OK 38 94 - 40 - 85/3.0=7, ~7368=5...(13) HB2 LYS 16 + HA LYS 17 OK 37 92 - 40 - 85/3.0=7, ~7368=5...(13) HB2 LYS 73 - HA LYS 17 lone 4 99 - 4 - HB3 LYS 73 - HA LYS 17 lone 4 99 - 4 - HB2 LYS 96 - HA LYS 17 lone 3 90 - 3 - HB3 LYS 43 - HA LYS 17 lone 2 90 - 3 - HB2 LYS 43 - HA LYS 17 lone 2 70 - 2 - HB ILE 71 - HA LYS 17 lone 1 98 - 1 - HB ILE 7 - HA LYS 17 lone 1 100 - 1 - QE MET 67 - HA LYS 17 lone 1 92 - 1 - HB3 LYS 44 - HA LYS 17 lone 1 73 - 1 - HB2 ARG 95 - HA LYS 17 lone 1 97 - 1 - HB2 LEU 63 - HA LYS 17 lone 1 61 - 1 - HG2 ARG 95 - HA LYS 17 lone 1 81 - 1 - HG LEU 45 - HA LYS 17 lone 1 96 - 1 - HB2 LYS 49 - HA LYS 17 lone 1 94 - 1 - HB2 LEU 45 - HA LYS 17 lone 0 81 - 1 - HB2 GLU 128 - HA LYS 17 lone 0 90 - 0 - HB3 ARG 118 - HA LYS 17 lone 0 61 - 0 - Peak 7999 from cnoeabs.peaks (3.99, 1.89, 31.98 ppm; 3.21 A): 6 out of 64 assignments used, quality = 0.95: * HA LYS 17 + HB3 LYS 20 OK 47 100 - 47 - 7996=11, 7995/3.9=11...(13) HA LYS 17 + HB2 LYS 20 OK 47 100 - 47 - 7996=11, 7995/3.9=11...(13) HB3 SER 99 + HB2 LYS 96 OK 37 72 - 52 - 8228/3.0=13, ~8210=7...(17) HB2 SER 99 + HB2 LYS 96 OK 37 72 - 52 - 8228/3.0=13, ~8210=7...(17) HA LYS 17 + HB3 LYS 16 OK 34 69 - 49 - 7996=11, 7998/1.8=7...(13) HA LYS 17 + HB2 LYS 16 OK 32 65 - 49 - 7996=10, 7996/1.8=8...(13) HB2 SER 99 - HB2 LYS 20 OK 15 99 - 15 - 11543/2.9=3, 11542/2.9=3...(5) HB3 SER 99 - HB3 LYS 20 OK 15 99 - 15 - 11543/2.9=3, 11542/2.9=3...(5) HB3 SER 99 - HB2 LYS 20 OK 15 99 - 15 - 11543/2.9=3, 11542/2.9=3...(5) HB2 SER 99 - HB3 LYS 20 OK 15 99 - 15 - 11543/2.9=3, 11542/2.9=3...(5) HA LEU 14 - HB2 LYS 20 lone 9 97 - 9 - 2003/3.9=3, 11542/2.9=2 HA LEU 14 - HB3 LYS 20 lone 9 97 - 9 - 2003/3.9=3, 11542/2.9=2 HA LEU 14 - HB3 LYS 16 poor 7 63 - 11 - ~7369=2, ~7368=2...(7) HA LEU 14 - HB2 LYS 16 poor 7 60 - 11 - ~7369=2, ~7368=2...(7) HA LYS 17 - HB2 LYS 73 lone 4 84 - 5 - 7996=1 HA LYS 17 - HB3 LYS 73 lone 4 86 - 5 - 7996=1 HA LYS 17 - HB2 LYS 96 lone 3 74 - 4 - HA LYS 17 - HB3 LYS 43 lone 3 78 - 3 - HA GLU 111 - HB3 LYS 20 lone 2 99 - 2 - HA GLU 111 - HB2 LYS 20 lone 2 99 - 2 - HA GLU 112 - HB3 LYS 20 lone 1 99 - 1 - HA GLU 112 - HB2 LYS 20 lone 1 99 - 1 - HA LEU 14 - HB3 LYS 43 lone 1 72 - 1 - HB2 SER 99 - HB3 LYS 73 lone 1 84 - 1 - HB3 SER 99 - HB3 LYS 73 lone 1 84 - 1 - HB2 SER 99 - HB2 LYS 73 lone 1 82 - 1 - HB3 SER 99 - HB2 LYS 73 lone 1 82 - 1 - HB2 SER 99 - HB3 LYS 43 lone 1 76 - 1 - HB3 SER 99 - HB3 LYS 43 lone 1 76 - 1 - HA LEU 14 - HB2 LYS 73 lone 1 78 - 1 - HA LEU 14 - HB3 LYS 73 lone 1 80 - 1 - HA GLU 112 - HB3 LYS 16 lone 1 66 - 1 - HA GLU 112 - HB3 LYS 73 lone 1 83 - 1 - HA GLU 112 - HB2 LYS 73 lone 1 81 - 1 - HA GLU 112 - HB2 LYS 16 lone 1 62 - 1 - HA3 GLY 75 - HB3 LYS 20 lone 1 57 - 1 - HA3 GLY 75 - HB2 LYS 20 lone 1 57 - 1 - HA GLU 112 - HB2 LYS 96 lone 1 71 - 1 - HA LEU 14 - HB2 LYS 96 lone 0 68 - 1 - HA GLU 111 - HB2 LYS 96 lone 0 72 - 1 - HA GLU 111 - HB3 LYS 16 lone 0 67 - 1 - HA3 GLY 101 - HB3 LYS 20 lone 0 70 - 1 - HA3 GLY 101 - HB2 LYS 20 lone 0 70 - 1 - HA GLU 111 - HB2 LYS 16 lone 0 63 - 1 - HA GLU 111 - HB3 LYS 73 lone 0 84 - 0 - HA3 GLY 75 - HB3 LYS 73 lone 0 43 - 1 - HA3 GLY 75 - HB2 LYS 73 lone 0 42 - 1 - HA GLU 111 - HB2 LYS 73 lone 0 82 - 0 - HA3 GLY 75 - HB3 LYS 16 lone 0 33 - 1 - HA3 GLY 75 - HB2 LYS 16 lone 0 30 - 1 - HA GLU 112 - HB3 LYS 43 lone 0 75 - 0 - HA GLU 111 - HB3 LYS 43 lone 0 76 - 0 - HB2 SER 99 - HB3 LYS 16 lone 0 67 - 0 - HB3 SER 99 - HB3 LYS 16 lone 0 67 - 0 - HB2 SER 99 - HB2 LYS 16 lone 0 63 - 0 - HB3 SER 99 - HB2 LYS 16 lone 0 63 - 0 - HA3 GLY 101 - HB3 LYS 73 lone 0 53 - 0 - HA3 GLY 101 - HB2 LYS 96 lone 0 44 - 0 - HA3 GLY 101 - HB2 LYS 73 lone 0 52 - 0 - HA3 GLY 101 - HB3 LYS 43 lone 0 47 - 0 - HA3 GLY 75 - HB2 LYS 96 lone 0 35 - 0 - HA3 GLY 75 - HB3 LYS 43 lone 0 38 - 0 - HA3 GLY 101 - HB3 LYS 16 lone 0 41 - 0 - HA3 GLY 101 - HB2 LYS 16 lone 0 38 - 0 - Peak 8001 from cnoeabs.peaks (7.30, 3.37, 65.47 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.92: * H LYS 20 + HA ILE 18 OK 92 100 - 92 - 2001=50, 1868/3.6=48...(9) HE21 GLN 100 - HA ILE 18 lone 3 70 - 5 - 1995/3.0=1 Peak 8002 from cnoeabs.peaks (7.67, 3.37, 65.47 ppm; 4.64 A): 1 out of 3 assignments used, quality = 0.86: * H GLU 21 + HA ILE 18 OK 86 100 - 86 - 2008=50, 4.1/8006=27...(10) H LEU 63 - HA ILE 18 lone 10 98 - 10 - 1413/3.2=1, 1414/3.8=1...(4) HE ARG 118 - HA ILE 18 lone 5 100 - 5 - 3134/8006=1, 3128/8004=1 Peak 8003 from cnoeabs.peaks (2.12, 3.37, 65.47 ppm; 4.04 A): 3 out of 14 assignments used, quality = 0.97: * HB2 GLU 21 + HA ILE 18 OK 74 100 - 74 - 1.8/8006=32, 8004=21...(10) HG2 GLU 21 + HA ILE 18 OK 67 92 - 73 - 3.0/8006=26, 3.0/8004=19...(11) HG3 GLU 21 + HA ILE 18 OK 63 87 - 73 - 3.0/8006=26, 3.0/8004=19...(11) HG3 GLN 83 - HA ILE 18 lone 4 100 - 4 - 10013/3.8=2 HB2 LEU 38 - HA ILE 18 lone 4 100 - 4 - HB VAL 107 - HA ILE 18 lone 3 100 - 3 - HB2 GLU 111 - HA ILE 18 lone 2 70 - 3 - 10447/10439=2 HG2 GLU 41 - HA ILE 18 lone 2 70 - 3 - HB3 GLU 119 - HA ILE 18 lone 1 100 - 1 - HB2 GLU 119 - HA ILE 18 lone 1 100 - 1 - HB3 GLU 47 - HA ILE 18 lone 1 98 - 1 - HG2 GLU 52 - HA ILE 18 lone 1 73 - 1 - HB3 GLU 92 - HA ILE 18 lone 1 94 - 1 - HB2 GLU 91 - HA ILE 18 lone 1 94 - 1 - Peak 8004 from cnoeabs.peaks (3.37, 2.12, 29.43 ppm; 5.42 A): 1 out of 1 assignment used, quality = 0.89: * HA ILE 18 + HB2 GLU 21 OK 89 100 - 89 - 8006/1.8=48, 2008/4.1=35...(10) Peak 8005 from cnoeabs.peaks (1.97, 3.37, 65.47 ppm; 4.15 A): 2 out of 7 assignments used, quality = 0.89: * HB3 GLU 21 + HA ILE 18 OK 80 100 - 80 - 8006=39, 1.8/8004=22...(10) HB VAL 22 + HA ILE 18 OK 44 90 - 49 - 2.1/10857=10, 2.1/9186=8...(12) HB2 LYS 40 - HA ILE 18 lone 4 70 - 6 - ~8062=2, 9184/3.0=2, ~3329=1 HB3 ARG 95 - HA ILE 18 lone 2 100 - 2 - HB3 LYS 96 - HA ILE 18 lone 1 100 - 1 - HB3 GLU 103 - HA ILE 18 lone 1 81 - 1 - HB3 GLU 128 - HA ILE 18 lone 0 61 - 1 - Peak 8006 from cnoeabs.peaks (3.37, 1.97, 29.43 ppm; 4.50 A): 1 out of 1 assignment used, quality = 0.82: * HA ILE 18 + HB3 GLU 21 OK 82 100 - 82 - 9188=32, 8004/1.8=28...(10) Peak 8023 from cnoeabs.peaks (3.96, 2.97, 38.17 ppm; 4.75 A): 2 out of 6 assignments used, quality = 0.69: HA GLU 21 + HB3 ASN 24 OK 45 100 - 45 - 11324=20, 11324/1.8=18 * HA GLU 21 + HB2 ASN 24 OK 45 100 - 45 - 11324=20, 11324/1.8=18 HB3 SER 35 - HB3 ASN 24 poor 9 81 - 11 - 1.8/10796=4, ~10796=4 HB3 SER 35 - HB2 ASN 24 poor 9 81 - 11 - 1.8/10796=4, ~10796=4 HA MET 67 - HB3 ASN 24 poor 8 77 - 10 - 3.0/10886=3, ~10886=2...(4) HA MET 67 - HB2 ASN 24 poor 8 77 - 10 - 3.0/10886=3, ~10886=2...(4) Peak 8025 from cnoeabs.peaks (3.96, 2.97, 38.17 ppm; 4.75 A): 2 out of 6 assignments used, quality = 0.69: * HA GLU 21 + HB3 ASN 24 OK 45 100 - 45 - 11324=20, 11324/1.8=18 HA GLU 21 + HB2 ASN 24 OK 45 100 - 45 - 11324=20, 11324/1.8=18 HB3 SER 35 - HB3 ASN 24 poor 9 81 - 11 - 1.8/10796=4, ~10796=4 HB3 SER 35 - HB2 ASN 24 poor 9 81 - 11 - 1.8/10796=4, ~10796=4 HA MET 67 - HB3 ASN 24 poor 8 77 - 10 - 3.0/10886=3, ~10886=2...(4) HA MET 67 - HB2 ASN 24 poor 8 77 - 10 - 3.0/10886=3, ~10886=2...(4) Peak 8027 from cnoeabs.peaks (9.01, 4.05, 61.45 ppm; 6.19 A): 1 out of 1 assignment used, quality = 0.86: * H GLU 37 + HA SER 35 OK 86 100 - 86 - 1881/3.6=50, 2024/2.9=44...(10) Peak 8028 from cnoeabs.peaks (8.20, 4.05, 61.45 ppm; 4.40 A): 2 out of 4 assignments used, quality = 0.78: * H LEU 38 + HA SER 35 OK 75 100 - 75 - 3.8/8029=22, 3.8/8031=16...(12) H ASP 84 + HA SER 35 OK 13 100 - 13 - 2025/3.6=3, 9330/2.9=2 H GLU 111 - HA SER 35 lone 8 92 - 8 - 2025/3.6=3, 9330/2.9=2 H GLU 89 - HA SER 35 lone 5 65 - 7 - 9330/2.9=3, 2025/3.6=1 Peak 8029 from cnoeabs.peaks (2.11, 4.05, 61.45 ppm; 3.81 A): 1 out of 14 assignments used, quality = 0.65: * HB2 LEU 38 + HA SER 35 OK 65 100 - 65 - 1.8/8031=19, 3.8/8028=15...(13) HG2 GLU 41 - HA SER 35 poor 9 61 - 15 - 9403/3.0=7, ~9404=4...(4) HB VAL 107 - HA SER 35 lone 4 100 - 4 - 2.1/9337=2 HG3 GLN 83 - HA SER 35 lone 3 100 - 3 - HB2 GLU 111 - HA SER 35 lone 2 77 - 3 - 3.9/8028=1 HB3 GLU 47 - HA SER 35 lone 2 99 - 2 - HB3 GLU 92 - HA SER 35 lone 1 97 - 1 - HB2 GLU 119 - HA SER 35 lone 1 100 - 1 - HB3 GLU 119 - HA SER 35 lone 1 100 - 1 - HB2 GLU 21 - HA SER 35 lone 1 100 - 1 - HB2 GLU 91 - HA SER 35 lone 1 90 - 1 - HG2 GLU 21 - HA SER 35 lone 1 96 - 1 - HG3 GLU 21 - HA SER 35 lone 1 92 - 1 - HG2 GLU 52 - HA SER 35 lone 0 81 - 1 - Peak 8030 from cnoeabs.peaks (4.05, 2.11, 41.07 ppm; 4.47 A): 4 out of 11 assignments used, quality = 0.92: * HA SER 35 + HB2 LEU 38 OK 82 100 - 82 - 8029=35, 8031/1.8=25...(13) HA GLU 37 + HB2 LEU 38 OK 39 84 - 47 - 3.6/1234=26, 8032/1.8=8...(9) HA GLU 87 + HB2 LEU 38 OK 17 90 - 19 - 10054/3.1=4, 8032/1.8=4...(7) HA GLU 69 + HB2 LEU 38 OK 12 94 - 13 - 8032/1.8=2, ~11001=2...(7) HA LYS 96 - HB2 LEU 38 poor 10 61 - 16 - 3.6/213=5, ~8048=3...(4) HB3 SER 126 - HB2 LEU 38 lone 7 73 - 10 - ~10644=3, 8032/1.8=2...(5) HA2 GLY 125 - HB2 LEU 38 lone 5 98 - 5 - 8032/1.8=1 HA GLU 92 - HB2 LEU 38 lone 4 81 - 5 - HA3 GLY 125 - HB2 LEU 38 lone 3 70 - 4 - HA GLU 119 - HB2 LEU 38 lone 2 61 - 3 - HA LYS 44 - HB2 LEU 38 lone 2 77 - 2 - Peak 8031 from cnoeabs.peaks (1.46, 4.05, 61.45 ppm; 4.02 A): 3 out of 14 assignments used, quality = 0.81: * HB3 LEU 38 + HA SER 35 OK 73 100 - 73 - 1.8/8029=29, 8032=17...(11) HG2 LYS 39 + HA SER 35 OK 20 99 - 20 - 4.9/8033=9, 1.8/9335=3...(6) HB3 LEU 6 + HA SER 35 OK 15 100 - 16 - 3.1/9338=6, ~10797=2...(5) HG12 ILE 57 - HA SER 35 lone 9 100 - 9 - 2.1/9338=3, 1.8/9337=3...(4) HG12 ILE 7 - HA SER 35 lone 3 100 - 3 - HG2 LYS 106 - HA SER 35 lone 2 100 - 2 - HG3 LYS 73 - HA SER 35 lone 2 70 - 2 - HG3 LYS 20 - HA SER 35 lone 1 77 - 2 - HB2 LEU 74 - HA SER 35 lone 1 99 - 1 - HG3 ARG 30 - HA SER 35 lone 1 94 - 1 - HG LEU 4 - HA SER 35 lone 1 92 - 1 - HG2 LYS 49 - HA SER 35 lone 1 100 - 1 - HG3 LYS 49 - HA SER 35 lone 1 100 - 1 - HD2 LYS 53 - HA SER 35 lone 0 61 - 1 - Peak 8032 from cnoeabs.peaks (4.05, 1.46, 41.07 ppm; 4.47 A): 4 out of 11 assignments used, quality = 0.91: * HA SER 35 + HB3 LEU 38 OK 82 100 - 82 - 8029/1.8=32, 8031=28...(12) HA GLU 37 + HB3 LEU 38 OK 35 84 - 42 - 3.6/1235=21, 8030/1.8=8...(8) HA GLU 87 + HB3 LEU 38 OK 17 90 - 19 - 10054/3.1=4, 8030/1.8=4...(7) HA GLU 69 + HB3 LEU 38 OK 11 94 - 11 - 8030/1.8=3, ~11001=2...(6) HA LYS 96 - HB3 LEU 38 poor 9 61 - 15 - ~8048=3, 3.6/214=3...(5) HB3 SER 126 - HB3 LEU 38 lone 7 73 - 10 - ~10644=3, 8030/1.8=2...(5) HA2 GLY 125 - HB3 LEU 38 lone 5 98 - 5 - 8030/1.8=1 HA GLU 92 - HB3 LEU 38 lone 3 81 - 4 - HA3 GLY 125 - HB3 LEU 38 lone 3 70 - 4 - HA LYS 44 - HB3 LEU 38 lone 2 77 - 2 - HA GLU 119 - HB3 LEU 38 lone 2 61 - 3 - Peak 8033 from cnoeabs.peaks (7.83, 4.05, 61.45 ppm; 5.01 A): 3 out of 5 assignments used, quality = 0.83: * H LYS 39 + HA SER 35 OK 74 100 - 74 - 4.6/8029=23, 4.5/8028=22...(16) H ILE 97 + HA SER 35 OK 23 100 - 23 - 9348/3.6=5, 1883/8028=3...(7) H VAL 78 + HA SER 35 OK 13 100 - 13 - 9348/3.6=4, 4.0/9338=3 H TYR 27 - HA SER 35 lone 4 73 - 6 - 11346=3 HE21 GLN 62 - HA SER 35 lone 2 65 - 3 - Peak 8034 from cnoeabs.peaks (8.20, 4.52, 57.67 ppm; 5.44 A): 3 out of 4 assignments used, quality = 0.79: * H LEU 38 + HA ASP 36 OK 73 100 - 73 - 205/3.6=45, 2025/3.0=25...(7) H ASP 84 + HA ASP 36 OK 13 100 - 13 - 2025/3.0=5, 1882/3.6=4 H GLU 111 + HA ASP 36 OK 11 92 - 12 - 1882/3.6=5, 2025/3.0=4 H GLU 89 - HA ASP 36 lone 4 65 - 6 - 2025/3.0=2, 1882/3.6=2 Peak 8035 from cnoeabs.peaks (7.83, 4.52, 57.67 ppm; 4.98 A): 3 out of 5 assignments used, quality = 0.94: * H LYS 39 + HA ASP 36 OK 88 100 - 88 - 2035=27, 4.7/2041=19...(15) H ILE 97 + HA ASP 36 OK 39 100 - 39 - 2035=10, 2028/3.6=6...(11) H VAL 78 + HA ASP 36 OK 24 100 - 24 - 4.0/9862=10, 2028/3.6=5...(4) H TYR 27 - HA ASP 36 lone 3 73 - 4 - 2028/3.6=1 HE21 GLN 62 - HA ASP 36 lone 2 65 - 3 - Peak 8036 from cnoeabs.peaks (1.93, 4.52, 57.67 ppm; 4.36 A): 3 out of 20 assignments used, quality = 0.94: * HB2 LYS 39 + HA ASP 36 OK 80 100 - 80 - 8037=23, 1.8/8039=23...(12) HB3 LYS 39 + HA ASP 36 OK 63 81 - 79 - 1.8/8037=22, 8039=18...(12) HB3 LYS 40 + HA ASP 36 OK 19 90 - 21 - 4.0/2041=16, 3.6/9345=1 HB2 LYS 123 - HA ASP 36 lone 9 100 - 8 - 2.9/10933=2, 8037=2, ~7097=1 HB VAL 104 - HA ASP 36 lone 4 87 - 5 - 10239=2 HB2 LYS 65 - HA ASP 36 lone 3 100 - 3 - HB3 LYS 65 - HA ASP 36 lone 3 100 - 3 - HB3 LYS 115 - HA ASP 36 lone 2 100 - 2 - HB2 LYS 115 - HA ASP 36 lone 2 98 - 2 - HB3 MET 42 - HA ASP 36 lone 1 73 - 2 - HB2 LEU 70 - HA ASP 36 lone 1 96 - 1 - HB3 GLU 41 - HA ASP 36 lone 1 77 - 1 - HB2 LEU 81 - HA ASP 36 lone 1 77 - 1 - HB2 GLU 41 - HA ASP 36 lone 1 73 - 1 - HB2 LEU 127 - HA ASP 36 lone 1 100 - 1 - HB3 LYS 17 - HA ASP 36 lone 1 87 - 1 - HG2 MET 121 - HA ASP 36 lone 1 70 - 1 - HB VAL 29 - HA ASP 36 lone 1 61 - 1 - HB ILE 15 - HA ASP 36 lone 0 61 - 1 - HB3 GLU 52 - HA ASP 36 lone 0 65 - 1 - Peak 8037 from cnoeabs.peaks (4.52, 1.93, 32.05 ppm; 3.54 A): 3 out of 21 assignments used, quality = 0.77: * HA ASP 36 + HB2 LYS 39 OK 59 100 - 59 - 8038/1.8=13, 8036=11...(12) HA ASP 36 + HB3 LYS 39 OK 36 63 - 58 - 8038=11, 8036/1.8=10...(12) HA GLU 103 + HB2 LYS 39 OK 10 87 - 11 - 2035/4.0=2, 10934/2.9=2...(6) HA GLU 103 - HB3 LYS 39 poor 6 48 - 11 - 2035/4.0=2, 10934/2.9=2...(6) HA ASP 36 - HB2 LYS 123 lone 4 69 - 5 - 8036=1, 10933/2.9=1 HA ASP 84 - HB2 LYS 39 lone 2 70 - 3 - HA ASP 36 - HB2 LYS 65 lone 1 79 - 2 - HA ASP 36 - HB3 LYS 65 lone 1 79 - 2 - HA ASP 36 - HB3 LYS 115 lone 1 95 - 1 - HA ASP 84 - HB3 LYS 39 lone 1 36 - 3 - HA ASP 36 - HB2 LYS 115 lone 1 87 - 1 - HA GLU 103 - HB3 LYS 115 lone 1 78 - 1 - HA ASP 84 - HB2 LYS 65 lone 1 48 - 2 - HA ASP 84 - HB3 LYS 65 lone 1 47 - 2 - HA GLU 103 - HB2 LYS 115 lone 1 70 - 1 - HA GLU 103 - HB2 LYS 123 lone 0 53 - 1 - HA GLU 103 - HB2 LYS 65 lone 0 62 - 1 - HA GLU 103 - HB3 LYS 65 lone 0 62 - 1 - HA ASP 84 - HB3 LYS 115 lone 0 61 - 0 - HA ASP 84 - HB2 LYS 115 lone 0 54 - 0 - HA ASP 84 - HB2 LYS 123 lone 0 40 - 0 - Peak 8038 from cnoeabs.peaks (1.95, 4.52, 57.67 ppm; 4.00 A): 3 out of 16 assignments used, quality = 0.92: * HB3 LYS 39 + HA ASP 36 OK 75 100 - 75 - 8039=25, 1.8/8037=20...(12) HB2 LYS 39 + HA ASP 36 OK 59 81 - 73 - 1.8/8039=21, 8037=17...(12) HB3 LYS 40 + HA ASP 36 OK 17 100 - 18 - 4.0/2041=14 HB2 LYS 123 - HA ASP 36 lone 6 81 - 7 - 2.9/10933=2, 8037=1, ~7097=1 HB VAL 104 - HA ASP 36 lone 4 100 - 4 - 10239=2 HB2 LYS 65 - HA ASP 36 lone 2 81 - 2 - HB3 MET 42 - HA ASP 36 lone 2 100 - 2 - HB3 LYS 65 - HA ASP 36 lone 2 77 - 2 - HB3 GLU 41 - HA ASP 36 lone 1 100 - 1 - HB2 GLU 41 - HA ASP 36 lone 1 100 - 1 - HB3 LYS 115 - HA ASP 36 lone 1 81 - 1 - HB2 LEU 70 - HA ASP 36 lone 1 98 - 1 - HB3 GLU 128 - HA ASP 36 lone 1 98 - 1 - HB VAL 29 - HA ASP 36 lone 1 99 - 1 - HB3 GLU 52 - HA ASP 36 lone 1 99 - 1 - HB2 LEU 127 - HA ASP 36 lone 1 77 - 1 - Peak 8039 from cnoeabs.peaks (4.52, 1.95, 32.05 ppm; 3.58 A): 3 out of 18 assignments used, quality = 0.78: * HA ASP 36 + HB3 LYS 39 OK 61 100 - 61 - 8038=15, 8036/1.8=11...(12) HA ASP 36 + HB2 LYS 39 OK 38 63 - 61 - 8038/1.8=13, 8038=12...(12) HA GLU 103 + HB3 LYS 39 OK 10 87 - 12 - 10934/2.9=2, 2035/4.0=2...(6) HA GLU 103 - HB2 LYS 39 poor 6 48 - 12 - 10934/2.9=2, 2035/4.0=2...(6) HA ASP 84 - HB3 LYS 39 lone 2 70 - 3 - 2041/4.3=1 HA ASP 36 - HB2 LYS 123 lone 2 36 - 5 - 10933/2.9=1, 8038=1 HA ASP 84 - HB2 LYS 39 lone 1 36 - 3 - 2041/4.3=1 HA ASP 36 - HB2 LYS 65 lone 1 42 - 2 - HA ASP 36 - HB3 LYS 65 lone 1 38 - 2 - HA ASP 36 - HB3 LYS 115 lone 1 55 - 1 - HA GLU 103 - HB3 LYS 115 lone 1 42 - 1 - HA ASP 84 - HB2 LYS 65 lone 0 24 - 2 - HA ASP 84 - HB3 LYS 65 lone 0 21 - 2 - HA GLU 103 - HB2 LYS 123 lone 0 27 - 1 - HA GLU 103 - HB2 LYS 65 lone 0 32 - 1 - HA GLU 103 - HB3 LYS 65 lone 0 29 - 1 - HA ASP 84 - HB3 LYS 115 lone 0 31 - 0 - HA ASP 84 - HB2 LYS 123 lone 0 20 - 0 - Peak 8040 from cnoeabs.peaks (7.78, 4.52, 57.67 ppm; 5.16 A): 2 out of 2 assignments used, quality = 0.79: * H LYS 40 + HA ASP 36 OK 74 100 - 74 - 2041=39, 4.3/8039=18...(11) H LYS 96 + HA ASP 36 OK 21 97 - 22 - 4.5/8035=7, 1939/2035=4...(6) Peak 8042 from cnoeabs.peaks (7.78, 4.06, 59.21 ppm; 3.62 A): 1 out of 1 assignment used, quality = 0.52: H LYS 96 + HA LYS 96 OK 52 52 - 100 - 2.9=100 Reference assignment not found: H LYS 40 - HA GLU 37 Peak 8043 from cnoeabs.peaks (1.99, 4.06, 59.21 ppm; 3.10 A): 0 out of 1 assignment used, low quality = 0.28: HB3 LYS 96 - HA LYS 96 OK 28 28 - 100 - 3.0=100 Reference assignment not found: HB2 LYS 40 - HA GLU 37 Peak 8044 from cnoeabs.peaks (4.06, 1.99, 32.40 ppm; 3.41 A): 2 out of 8 assignments used, quality = 0.55: HA LYS 96 + HB2 LYS 40 OK 45 98 - 46 - 8046/1.8=13, 2040/4.0=9...(14) HA LYS 44 + HB2 LYS 40 OK 18 100 - 18 - 8046/1.8=5, 2046/4.6=4...(5) ! HA GLU 37 - HB2 LYS 40 lone 8 100 - 8 - 2040/4.0=3, 8046/1.8=2 HA GLU 69 - HB2 LYS 40 lone 5 99 - 5 - 8046/1.8=2 HA SER 35 - HB2 LYS 40 lone 5 84 - 5 - 2040/4.0=2, 8046/1.8=1 HA3 GLY 125 - HB2 LYS 40 lone 4 99 - 4 - 8046/1.8=1 HA2 GLY 125 - HB2 LYS 40 lone 4 97 - 4 - 8046/1.8=1 HA GLU 91 - HB2 LYS 40 lone 1 81 - 2 - Peak 8045 from cnoeabs.peaks (1.95, 4.06, 59.21 ppm; 2.99 A): 5 out of 85 assignments used, quality = 0.55: HB3 LYS 40 + HA LYS 96 OK 27 57 - 47 - 8046=15, 1.8/8044=14...(11) HB3 LYS 39 + HA LYS 96 OK 13 56 - 24 - 4.3/2040=6, 7474/2.9=3...(6) HB3 LYS 40 + HA LYS 44 OK 12 59 - 20 - 8046=6, 1.8/8044=6...(6) HB2 LEU 70 + HA GLU 69 OK 11 75 - 14 - 1460/3.6=11, ~425=1 HB2 LYS 39 + HA LYS 96 OK 10 46 - 23 - 4.3/2040=6, 7473/2.9=3...(6) HB3 GLU 41 - HA LYS 44 poor 9 57 - 16 - ~8070=6, 4.0/2046=4...(5) HB2 GLU 41 - HA LYS 44 poor 9 56 - 16 - ~8070=6, 4.0/2046=4...(5) ! HB3 LYS 40 - HA GLU 37 lone 9 100 - 9 - 8046=3, 1.8/8044=2...(4) HB2 LYS 123 - HA GLU 69 lone 6 62 - 9 - 8046=2, 1460/3.6=1, ~2107=1 HB2 LYS 65 - HA GLU 69 lone 5 62 - 8 - ~8129=2, 8046=2...(4) HB3 LYS 65 - HA GLU 69 lone 5 60 - 8 - ~8129=2, 8046=2, 1.8/8046=1 HB3 LYS 40 - HA GLU 69 lone 5 76 - 6 - 8046=2, 1.8/8044=2 HB2 LYS 123 - HA LYS 44 lone 4 47 - 9 - 8046=2 HB3 LYS 39 - HA LYS 44 lone 4 58 - 6 - 4.3/2040=2 HB2 LYS 123 - HA LYS 96 lone 4 46 - 8 - 8046=2 HB3 GLU 41 - HA LYS 96 lone 3 56 - 6 - 4.0/2046=4 HB2 GLU 41 - HA LYS 96 lone 3 55 - 6 - 4.0/2046=4 HB2 LYS 39 - HA LYS 44 lone 3 47 - 6 - 4.3/2040=2 HB3 LYS 39 - HA GLU 37 lone 3 100 - 3 - 4.3/2040=2 HB3 GLU 41 - HA GLU 37 lone 3 99 - 3 - 4.0/8047=1 HB2 GLU 41 - HA GLU 37 lone 3 99 - 3 - 4.0/8047=1 HB2 LYS 39 - HA GLU 37 lone 3 90 - 3 - 4.3/2040=2 HB3 GLU 128 - HA LYS 96 lone 2 49 - 5 - 8329=1, 4.0/2263=1 HB3 MET 42 - HA LYS 44 lone 2 56 - 4 - ~2058=3 HB3 GLU 128 - HA GLU 91 lone 2 51 - 4 - 7235/3.6=2, 4.0/2263=2 HB3 LYS 115 - HA GLU 69 lone 2 62 - 3 - HB3 MET 42 - HA GLU 69 lone 2 73 - 2 - HB3 GLU 128 - HA GLU 69 lone 1 67 - 2 - HB2 LYS 65 - HA LYS 96 lone 1 46 - 3 - HB2 LEU 127 - HA GLU 91 lone 1 46 - 3 - 4.2/2263=2 HB3 LYS 65 - HA LYS 96 lone 1 44 - 3 - HB2 LEU 70 - HA LYS 96 lone 1 56 - 2 - HB3 LYS 40 - HA GLU 91 lone 1 60 - 2 - HB3 LYS 115 - HA LYS 96 lone 1 46 - 2 - HB VAL 104 - HA GLU 37 lone 1 100 - 1 - HB2 LYS 115 - HA GLU 69 lone 1 45 - 2 - HB VAL 104 - HA LYS 96 lone 1 57 - 2 - 1242/3.6=1 HB3 LYS 39 - HA GLU 69 lone 1 75 - 1 - HB2 LEU 127 - HA GLU 69 lone 1 60 - 2 - HB3 GLU 128 - HA LYS 44 lone 1 51 - 2 - HB3 GLU 128 - HA GLU 37 lone 1 94 - 1 - HB2 LEU 127 - HA LYS 96 lone 1 44 - 2 - 4.2/2263=1 HB2 LEU 70 - HA LYS 44 lone 1 58 - 1 - HB2 LYS 39 - HA GLU 69 lone 1 62 - 1 - HB2 LYS 115 - HA LYS 96 lone 1 33 - 2 - HB3 MET 42 - HA GLU 37 lone 1 99 - 1 - HB3 LYS 115 - HA GLU 37 lone 1 90 - 1 - HB VAL 104 - HA GLU 91 lone 1 60 - 1 - HB3 GLU 41 - HA GLU 69 lone 1 74 - 1 - HB2 GLU 41 - HA GLU 69 lone 1 73 - 1 - HB2 LEU 70 - HA GLU 37 lone 1 100 - 1 - HB2 LYS 65 - HA GLU 37 lone 1 90 - 1 - HB2 LEU 70 - HA GLU 91 lone 1 59 - 1 - HB3 LYS 65 - HA GLU 37 lone 0 87 - 1 - HB VAL 29 - HA GLU 37 lone 0 96 - 0 - HB2 LEU 127 - HA GLU 37 lone 0 87 - 1 - HB2 LYS 123 - HA GLU 37 lone 0 90 - 1 - HB2 LYS 115 - HA GLU 37 lone 0 70 - 1 - HB2 LYS 123 - HA GLU 91 lone 0 48 - 1 - HB3 MET 42 - HA LYS 96 lone 0 55 - 1 - HB2 LEU 127 - HA LYS 44 lone 0 45 - 1 - HB VAL 104 - HA GLU 69 lone 0 76 - 0 - HB2 LYS 65 - HA LYS 44 lone 0 47 - 1 - HB3 GLU 52 - HA GLU 37 lone 0 97 - 0 - HB3 LYS 65 - HA LYS 44 lone 0 45 - 1 - HB2 LYS 65 - HA GLU 91 lone 0 48 - 1 - HB3 LYS 39 - HA GLU 91 lone 0 59 - 1 - HB VAL 29 - HA LYS 96 lone 0 51 - 1 - HB VAL 29 - HA GLU 69 lone 0 68 - 0 - HB3 LYS 65 - HA GLU 91 lone 0 46 - 1 - HB VAL 29 - HA GLU 91 lone 0 53 - 1 - HB3 LYS 115 - HA LYS 44 lone 0 47 - 1 - HB3 GLU 41 - HA GLU 91 lone 0 58 - 1 - HB2 GLU 41 - HA GLU 91 lone 0 57 - 1 - HB2 LYS 39 - HA GLU 91 lone 0 48 - 1 - HB3 GLU 52 - HA GLU 69 lone 0 70 - 0 - HB VAL 104 - HA LYS 44 lone 0 59 - 0 - HB VAL 29 - HA LYS 44 lone 0 52 - 0 - HB2 LYS 115 - HA LYS 44 lone 0 34 - 1 - HB3 LYS 115 - HA GLU 91 lone 0 48 - 0 - HB3 GLU 52 - HA LYS 44 lone 0 54 - 0 - HB3 MET 42 - HA GLU 91 lone 0 57 - 0 - HB3 GLU 52 - HA LYS 96 lone 0 52 - 0 - HB3 GLU 52 - HA GLU 91 lone 0 55 - 0 - HB2 LYS 115 - HA GLU 91 lone 0 34 - 0 - Peak 8046 from cnoeabs.peaks (4.06, 1.95, 32.40 ppm; 3.06 A): 2 out of 48 assignments used, quality = 0.55: HA LYS 96 + HB3 LYS 40 OK 44 98 - 45 - 8044/1.8=15, 2040/4.0=7...(13) HA LYS 44 + HB3 LYS 40 OK 19 100 - 19 - 8044/1.8=6, 2046/4.6=3...(6) ! HA GLU 37 - HB3 LYS 40 lone 9 100 - 9 - 8044/1.8=2, 2040/4.0=2...(4) HA LYS 44 - HB2 LYS 123 poor 7 73 - 10 - 3904/2.9=1, 8045=1 HA GLU 69 - HB2 LYS 123 lone 7 72 - 9 - 8045=1, 3.6/1460=1, ~2107=1 HA LYS 96 - HB2 LYS 123 lone 6 69 - 9 - 6076/2.9=1 HA GLU 69 - HB3 LYS 40 lone 6 99 - 6 - 8044/1.8=2, 8045=1 HA GLU 69 - HB2 LYS 65 lone 6 67 - 8 - ~8129=2, 8045=1...(4) HA GLU 69 - HB3 LYS 65 lone 5 62 - 8 - ~8129=2, 8045=1...(4) HA3 GLY 125 - HB3 LYS 40 lone 4 99 - 4 - 8044/1.8=1 HA SER 35 - HB3 LYS 40 lone 4 84 - 5 - 2040/4.0=2, 8044/1.8=1 HA2 GLY 125 - HB3 LYS 40 lone 4 97 - 4 - 8044/1.8=1 HA LYS 96 - HB2 LYS 65 lone 2 65 - 3 - HA LYS 96 - HB3 LYS 65 lone 2 60 - 3 - HA GLU 91 - HB3 LYS 40 lone 1 81 - 2 - HA GLU 69 - HB3 LYS 115 lone 1 52 - 3 - HA LYS 96 - HB3 LYS 115 lone 1 50 - 2 - HA3 GLY 125 - HB2 LYS 123 lone 1 72 - 1 - HA2 GLY 125 - HB2 LYS 123 lone 1 68 - 1 - HA GLU 91 - HB2 LYS 123 lone 1 52 - 1 - HA LYS 44 - HB2 LYS 65 lone 1 68 - 1 - HA LYS 96 - HB VAL 29 lone 1 83 - 1 - HA LYS 44 - HB3 LYS 65 lone 1 64 - 1 - HA GLU 37 - HB3 LYS 115 lone 0 54 - 1 - HA GLU 37 - HB2 LYS 123 lone 0 74 - 1 - HA GLU 37 - HB VAL 29 lone 0 88 - 0 - HA GLU 37 - HB2 LYS 65 lone 0 69 - 1 - HA GLU 69 - HB VAL 29 lone 0 86 - 0 - HA GLU 91 - HB VAL 29 lone 0 64 - 1 - HA GLU 37 - HB3 LYS 65 lone 0 64 - 1 - HA LYS 44 - HB3 LYS 115 lone 0 53 - 1 - HA GLU 91 - HB2 LYS 65 lone 0 48 - 1 - HA3 GLY 125 - HB VAL 29 lone 0 86 - 0 - HA LYS 44 - HB VAL 29 lone 0 87 - 0 - HA2 GLY 125 - HB VAL 29 lone 0 82 - 0 - HA GLU 91 - HB3 LYS 65 lone 0 45 - 1 - HA SER 35 - HB2 LYS 123 lone 0 55 - 0 - HA3 GLY 125 - HB2 LYS 65 lone 0 67 - 0 - HA3 GLY 125 - HB3 LYS 65 lone 0 62 - 0 - HA SER 35 - HB VAL 29 lone 0 67 - 0 - HA3 GLY 125 - HB3 LYS 115 lone 0 52 - 0 - HA2 GLY 125 - HB2 LYS 65 lone 0 63 - 0 - HA2 GLY 125 - HB3 LYS 115 lone 0 49 - 0 - HA2 GLY 125 - HB3 LYS 65 lone 0 59 - 0 - HA SER 35 - HB3 LYS 115 lone 0 39 - 0 - HA GLU 91 - HB3 LYS 115 lone 0 37 - 0 - HA SER 35 - HB2 LYS 65 lone 0 51 - 0 - HA SER 35 - HB3 LYS 65 lone 0 47 - 0 - Peak 8047 from cnoeabs.peaks (8.72, 4.06, 59.21 ppm; 5.13 A): 3 out of 15 assignments used, quality = 0.68: H GLU 41 + HA LYS 44 OK 37 59 - 64 - ~8070=22, 2046=17...(12) H GLU 41 + HA LYS 96 OK 37 57 - 64 - 4.6/8044=18, 2046=17...(12) * H GLU 41 + HA GLU 37 OK 20 100 - 20 - 2046=6, 4.6/2040=5...(6) H GLU 41 - HA GLU 69 lone 7 76 - 9 - 2046=3, 4.6/8044=2...(4) H GLU 41 - HA GLU 91 lone 3 60 - 4 - H ASN 50 - HA GLU 69 lone 2 76 - 3 - 11181/2.9=2 H ASN 50 - HA GLU 37 lone 2 100 - 2 - H ASN 50 - HA LYS 96 lone 1 57 - 2 - H ARG 105 - HA GLU 37 lone 1 73 - 2 - H ASN 50 - HA LYS 44 lone 1 59 - 1 - H ARG 105 - HA LYS 96 lone 1 35 - 2 - H ASN 50 - HA GLU 91 lone 1 59 - 1 - H ARG 105 - HA GLU 69 lone 1 48 - 1 - H ARG 105 - HA LYS 44 lone 1 36 - 2 - H ARG 105 - HA GLU 91 lone 0 37 - 1 - Peak 8048 from cnoeabs.peaks (7.78, 3.91, 59.13 ppm; 5.51 A): 2 out of 2 assignments used, quality = 0.85: * H LYS 40 + HA LEU 38 OK 80 100 - 80 - 2039/3.0=31, 218/3.6=28...(12) H LYS 96 + HA LEU 38 OK 27 97 - 28 - 1939/3.6=16, 228/8049=4...(6) Peak 8049 from cnoeabs.peaks (8.72, 3.91, 59.13 ppm; 5.47 A): 1 out of 3 assignments used, quality = 0.72: * H GLU 41 + HA LEU 38 OK 72 100 - 72 - 2045=33, 4.6/8048=20...(10) H ARG 105 - HA LEU 38 lone 5 73 - 6 - 4.2/3521=2 H ASN 50 - HA LEU 38 lone 3 100 - 3 - Peak 8050 from cnoeabs.peaks (1.95, 3.91, 59.13 ppm; 4.03 A): 6 out of 16 assignments used, quality = 0.88: * HB2 GLU 41 + HA LEU 38 OK 39 100 - 39 - 4.0/8049=14, 4.7/8054=10...(7) HB3 GLU 41 + HA LEU 38 OK 39 100 - 39 - 4.0/8049=14, 4.7/8054=10...(7) HB3 LYS 39 + HA LEU 38 OK 30 100 - 30 - 3578/3.6=13, 4.3/8048=11...(4) HB3 LYS 40 + HA LEU 38 OK 27 99 - 27 - 4.6/8049=13, 4.0/8048=12...(4) HB3 MET 42 + HA LEU 38 OK 24 100 - 24 - 3.9/8054=12, 9419/3.8=8...(4) HB2 LYS 39 + HA LEU 38 OK 19 73 - 27 - 4.3/8048=11, 3578/3.6=8...(5) HB VAL 104 - HA LEU 38 lone 5 99 - 5 - 2.1/3521=2 HB VAL 29 - HA LEU 38 lone 4 100 - 4 - 3.8/8054=2, 2.1/3521=1 HB2 LYS 65 - HA LEU 38 lone 3 73 - 4 - 4.7/2090=3 HB3 LYS 65 - HA LEU 38 lone 3 70 - 4 - 4.7/2090=3 HB2 LEU 70 - HA LEU 38 lone 2 96 - 2 - HB3 GLU 128 - HA LEU 38 lone 2 99 - 2 - HB2 LYS 123 - HA LEU 38 lone 1 73 - 2 - HB3 LYS 115 - HA LEU 38 lone 1 73 - 1 - HB3 GLU 52 - HA LEU 38 lone 1 100 - 1 - HB2 LEU 127 - HA LEU 38 lone 0 70 - 1 - Peak 8051 from cnoeabs.peaks (3.91, 1.95, 28.25 ppm; 5.14 A): 6 out of 10 assignments used, quality = 0.94: * HA LEU 38 + HB2 GLU 41 OK 57 100 - 57 - 8049/4.0=24, 8054/4.7=18...(7) HA LEU 38 + HB3 GLU 41 OK 57 100 - 58 - 8049/4.0=24, 8054/4.7=18...(7) HB2 SER 35 + HB2 GLU 41 OK 34 96 - 35 - ~9403=19, 9404/3.0=9...(5) HB2 SER 35 + HB3 GLU 41 OK 34 95 - 35 - ~9403=19, 9404/3.0=9...(5) HA GLU 128 + HB2 GLU 41 OK 12 100 - 11 - 2045/4.0=3, 9404/3.0=2...(4) HA GLU 128 + HB3 GLU 41 OK 12 100 - 11 - 2045/4.0=3, 9404/3.0=2...(4) HA LEU 64 - HB2 GLU 41 lone 8 99 - 8 - 2051/4.7=3, 2045/4.0=2 HA LEU 64 - HB3 GLU 41 lone 8 99 - 8 - 2051/4.7=3, 2045/4.0=2 HA ARG 118 - HB2 GLU 41 lone 1 65 - 2 - HA ARG 118 - HB3 GLU 41 lone 1 65 - 2 - Peak 8052 from cnoeabs.peaks (1.95, 3.91, 59.13 ppm; 4.03 A): 6 out of 16 assignments used, quality = 0.88: * HB3 GLU 41 + HA LEU 38 OK 39 100 - 39 - 4.0/8049=14, 4.7/8054=10...(7) HB2 GLU 41 + HA LEU 38 OK 39 100 - 39 - 4.0/8049=14, 4.7/8054=10...(7) HB3 LYS 39 + HA LEU 38 OK 30 100 - 30 - 3578/3.6=13, 4.3/8048=11...(4) HB3 LYS 40 + HA LEU 38 OK 27 99 - 27 - 4.6/8049=13, 4.0/8048=12...(4) HB3 MET 42 + HA LEU 38 OK 24 100 - 24 - 3.9/8054=12, 9419/3.8=8...(4) HB2 LYS 39 + HA LEU 38 OK 21 77 - 27 - 4.3/8048=11, 3568/3.6=9...(5) HB VAL 104 - HA LEU 38 lone 5 100 - 5 - 2.1/3521=2 HB VAL 29 - HA LEU 38 lone 4 99 - 4 - 3.8/8054=2, 2.1/3521=1 HB2 LYS 65 - HA LEU 38 lone 3 77 - 4 - 4.7/2090=3 HB3 LYS 65 - HA LEU 38 lone 3 73 - 4 - 4.7/2090=3 HB2 LEU 70 - HA LEU 38 lone 2 97 - 2 - HB3 GLU 128 - HA LEU 38 lone 2 99 - 2 - HB2 LYS 123 - HA LEU 38 lone 1 77 - 2 - HB3 LYS 115 - HA LEU 38 lone 1 77 - 1 - HB3 GLU 52 - HA LEU 38 lone 1 100 - 1 - HB2 LEU 127 - HA LEU 38 lone 0 73 - 1 - Peak 8053 from cnoeabs.peaks (3.91, 1.95, 28.25 ppm; 5.14 A): 6 out of 10 assignments used, quality = 0.94: * HA LEU 38 + HB3 GLU 41 OK 57 100 - 58 - 8049/4.0=24, 8054/4.7=18...(7) HA LEU 38 + HB2 GLU 41 OK 57 100 - 57 - 8049/4.0=24, 8054/4.7=18...(7) HB2 SER 35 + HB3 GLU 41 OK 34 96 - 35 - ~9403=19, 9404/3.0=9...(5) HB2 SER 35 + HB2 GLU 41 OK 34 95 - 35 - ~9403=19, 9404/3.0=9...(5) HA GLU 128 + HB2 GLU 41 OK 12 100 - 11 - 2045/4.0=3, 9404/3.0=2...(4) HA GLU 128 + HB3 GLU 41 OK 12 100 - 11 - 2045/4.0=3, 9404/3.0=2...(4) HA LEU 64 - HB3 GLU 41 lone 8 99 - 8 - 2051/4.7=3, 2045/4.0=2 HA LEU 64 - HB2 GLU 41 lone 8 99 - 8 - 2051/4.7=3, 2045/4.0=2 HA ARG 118 - HB3 GLU 41 lone 1 65 - 2 - HA ARG 118 - HB2 GLU 41 lone 1 65 - 2 - Peak 8054 from cnoeabs.peaks (8.78, 3.91, 59.13 ppm; 5.58 A): 2 out of 5 assignments used, quality = 0.76: * H MET 42 + HA LEU 38 OK 74 100 - 74 - 9412/3.8=26, 4.6/8049=25...(10) H VAL 29 + HA LEU 38 OK 10 100 - 10 - 1189/3.8=3, 10999/3.8=2 H ILE 5 - HA LEU 38 poor 8 81 - 10 - 10999/3.8=6, 12/2.9=2 H ILE 18 - HA LEU 38 lone 4 98 - 4 - 1886/8049=1 H ASN 59 - HA LEU 38 lone 2 77 - 3 - 9613/9375=1 Peak 8055 from cnoeabs.peaks (8.72, 3.84, 59.87 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.82: * H GLU 41 + HA LYS 39 OK 82 100 - 82 - 1885/3.6=46, 2043=32...(10) H ARG 105 - HA LYS 39 poor 9 73 - 11 - 4.2/9390=4, 1885/3.6=2 H ASN 50 - HA LYS 39 lone 5 100 - 5 - 1885/3.6=2 Peak 8056 from cnoeabs.peaks (8.78, 3.84, 59.87 ppm; 4.38 A): 2 out of 5 assignments used, quality = 0.80: * H MET 42 + HA LYS 39 OK 77 100 - 77 - 2050=31, 3.9/8057=18...(13) H VAL 29 + HA LYS 39 OK 10 100 - 10 - 162/8057=1, 4.0/9390=1 H ILE 18 - HA LYS 39 lone 9 98 - 9 - 4.6/1998=4, 1995/2004=1 H ILE 5 - HA LYS 39 lone 1 81 - 2 - H ASN 59 - HA LYS 39 lone 1 77 - 1 - Peak 8057 from cnoeabs.peaks (2.19, 3.84, 59.87 ppm; 4.31 A): 1 out of 11 assignments used, quality = 0.63: * HB2 MET 42 + HA LYS 39 OK 63 100 - 63 - 3.9/8056=20, 4.6/8061=17...(10) HG3 GLU 66 - HA LYS 39 lone 9 99 - 9 - 11067/9380=6 HB3 GLU 37 - HA LYS 39 lone 4 73 - 6 - ~9391=2, 9385/9380=2, ~7795=1 HB2 GLU 98 - HA LYS 39 lone 3 87 - 4 - ~9391=1 HB3 MET 1 - HA LYS 39 lone 3 97 - 4 - HB2 MET 67 - HA LYS 39 lone 3 87 - 3 - HG3 GLN 28 - HA LYS 39 lone 2 90 - 2 - HB2 GLU 69 - HA LYS 39 lone 2 92 - 2 - HB2 GLN 85 - HA LYS 39 lone 1 65 - 2 - 9385/9380=1 HG2 GLU 48 - HA LYS 39 lone 1 90 - 1 - HB2 GLN 100 - HA LYS 39 lone 1 61 - 1 - Peak 8058 from cnoeabs.peaks (3.84, 2.19, 31.25 ppm; 5.87 A): 3 out of 3 assignments used, quality = 0.95: * HA LYS 39 + HB2 MET 42 OK 88 100 - 88 - 8057=34, 8056/3.9=32...(10) HA LYS 16 + HB2 MET 42 OK 40 100 - 40 - 8060/1.8=10, 2050/3.9=10...(7) HA2 GLY 75 + HB2 MET 42 OK 33 99 - 33 - 8060/1.8=9, 11044/3.0=7...(6) Peak 8059 from cnoeabs.peaks (1.95, 3.84, 59.87 ppm; 3.03 A): 2 out of 2 assignments used, quality = 1.00: HB3 LYS 39 + HA LYS 39 OK 100 100 - 100 - 3.0=100 HB2 LYS 39 + HA LYS 39 OK 73 73 - 100 - 3.0=100 Reference assignment not found: HB3 MET 42 - HA LYS 39 Peak 8060 from cnoeabs.peaks (3.84, 1.95, 31.25 ppm; 5.95 A): 3 out of 3 assignments used, quality = 0.95: * HA LYS 39 + HB3 MET 42 OK 87 100 - 87 - 8057/1.8=34, 8056/3.9=33...(11) HA LYS 16 + HB3 MET 42 OK 41 100 - 41 - 8058/1.8=10, 2050/3.9=10...(7) HA2 GLY 75 + HB3 MET 42 OK 33 99 - 34 - 8058/1.8=9, 11044/3.0=7...(6) Peak 8061 from cnoeabs.peaks (7.50, 3.84, 59.87 ppm; 5.38 A): 1 out of 1 assignment used, quality = 0.76: * H LYS 43 + HA LYS 39 OK 76 100 - 76 - 2056=32, 4.7/8056=25...(12) Peak 8062 from cnoeabs.peaks (8.78, 4.02, 59.59 ppm; 4.83 A): 3 out of 10 assignments used, quality = 0.82: * H MET 42 + HA LYS 40 OK 73 100 - 73 - 238/3.6=37, 4.7/8063=24...(9) H ILE 18 + HA LYS 40 OK 23 98 - 24 - 4.6/1989=8, 94/3.0=4...(6) H MET 42 + HA GLU 119 OK 14 96 - 14 - 4.7/8063=4, 2048=3...(5) H VAL 29 - HA LYS 40 lone 7 100 - 7 - 1886/3.6=2, 1188/3.0=1 H ILE 18 - HA GLU 119 lone 3 92 - 4 - 4.6/1989=1 H ILE 5 - HA LYS 40 lone 2 81 - 2 - H VAL 29 - HA GLU 119 lone 2 95 - 2 - H ASN 59 - HA LYS 40 lone 1 77 - 2 - H ILE 5 - HA GLU 119 lone 1 73 - 2 - H ASN 59 - HA GLU 119 lone 1 70 - 1 - Peak 8063 from cnoeabs.peaks (7.50, 4.02, 59.59 ppm; 4.23 A): 2 out of 2 assignments used, quality = 0.71: * H LYS 43 + HA LYS 40 OK 68 100 - 68 - 2055=32, 2047/3.6=19...(13) H LYS 43 + HA GLU 119 OK 11 96 - 11 - 2055=5, 4.7/8062=2 Peak 8064 from cnoeabs.peaks (1.91, 4.02, 59.59 ppm; 2.88 A): 6 out of 40 assignments used, quality = 0.74: HB2 LYS 96 + HA LYS 40 OK 28 98 - 28 - 8065=7, ~6091=4, ~8044=3...(10) * HB2 LYS 43 + HA LYS 40 OK 27 100 - 27 - 4.0/8063=9, 8065=7...(6) HB3 LYS 43 + HA LYS 40 OK 26 98 - 27 - 4.0/8063=9, 8065=6...(6) HB2 ARG 95 + HA LYS 40 OK 15 92 - 16 - 7789/3.0=2, 1.8/8203=2...(7) HB3 LYS 44 + HA LYS 40 OK 11 100 - 11 - 8065=3, 1.8/8065=2...(4) HB2 LYS 44 + HA LYS 40 OK 11 99 - 11 - 8065=3, 1.8/8065=2...(4) HB2 LYS 43 - HA GLU 119 lone 4 96 - 4 - 4.0/8063=1, 8065=1 HB3 LYS 17 - HA LYS 40 lone 4 77 - 6 - 4.0/1989=3, 4.6/8062=1 HB3 LYS 20 - HA LYS 40 lone 4 70 - 6 - 8067=1 HB2 LYS 20 - HA LYS 40 lone 4 70 - 6 - 8067=1 HB3 LYS 43 - HA GLU 119 lone 4 92 - 4 - 4.0/8063=1, 8065=1 HB3 LYS 123 - HA LYS 40 lone 4 97 - 4 - HB2 LYS 73 - HA LYS 40 lone 3 87 - 3 - HB3 LYS 73 - HA LYS 40 lone 3 84 - 3 - HB ILE 15 - HA LYS 40 lone 3 96 - 3 - 4.5/1983=2 HG2 MET 121 - HA GLU 119 lone 2 85 - 3 - ~1783=1, 3.0/6911=1 HB2 ARG 95 - HA GLU 119 lone 2 85 - 3 - HB2 LEU 81 - HA GLU 119 lone 2 80 - 2 - HB2 GLU 128 - HA LYS 40 lone 1 98 - 1 - HB3 LYS 123 - HA GLU 119 lone 1 91 - 1 - HB2 LEU 45 - HA GLU 119 lone 1 95 - 1 - HB ILE 15 - HA GLU 119 lone 1 89 - 1 - HB2 LEU 45 - HA LYS 40 lone 1 100 - 1 - HB2 LYS 20 - HA GLU 119 lone 1 63 - 1 - HB3 LYS 20 - HA GLU 119 lone 1 63 - 1 - HB3 LYS 44 - HA GLU 119 lone 1 96 - 1 - HB2 LYS 44 - HA GLU 119 lone 1 94 - 1 - HB3 LYS 17 - HA GLU 119 lone 1 70 - 1 - HB2 LYS 73 - HA GLU 119 lone 1 80 - 1 - HB3 LYS 73 - HA GLU 119 lone 1 77 - 1 - HB2 GLU 128 - HA GLU 119 lone 0 92 - 1 - HB2 LYS 96 - HA GLU 119 lone 0 92 - 0 - HG2 MET 121 - HA LYS 40 lone 0 92 - 0 - HB ILE 7 - HA GLU 119 lone 0 70 - 1 - HB ILE 71 - HA LYS 40 lone 0 90 - 0 - HB2 LYS 49 - HA LYS 40 lone 0 96 - 0 - HB2 LEU 81 - HA LYS 40 lone 0 87 - 0 - HB2 LYS 49 - HA GLU 119 lone 0 89 - 0 - HB ILE 7 - HA LYS 40 lone 0 77 - 0 - HB ILE 71 - HA GLU 119 lone 0 82 - 0 - Peak 8065 from cnoeabs.peaks (4.02, 1.91, 31.96 ppm; 2.84 A): 7 out of 84 assignments used, quality = 0.76: HA LYS 40 + HB2 LYS 96 OK 28 90 - 31 - 8064=8, 3650/1.8=4...(11) * HA LYS 40 + HB2 LYS 43 OK 27 100 - 27 - 8063/4.0=9, 8064=7...(4) HA LYS 40 + HB3 LYS 43 OK 26 96 - 27 - 8063/4.0=9, 8064=7...(4) HA LYS 123 + HB3 LYS 44 OK 12 96 - 12 - 7070=2, 7070/1.8=1...(5) HA LYS 123 + HB2 LYS 44 OK 12 93 - 13 - 7070=2, 7070/1.8=1...(5) HA LYS 40 + HB3 LYS 44 OK 11 97 - 11 - 8064=3, 8064/1.8=2, ~8044=1 HA LYS 40 + HB2 LYS 44 OK 11 94 - 11 - 8064=3, 8064/1.8=2, ~8044=1 HA LYS 123 - HB2 LYS 96 lone 5 89 - 6 - 8202/1.8=1 HA LYS 123 - HB2 LYS 43 lone 5 100 - 5 - HA GLU 119 - HB2 LYS 43 lone 5 99 - 4 - 8063/4.0=1, 8064=1 HA LYS 123 - HB3 LYS 43 lone 4 95 - 4 - HA GLU 119 - HB3 LYS 43 lone 4 93 - 4 - 8063/4.0=1, 8066=1 HA PHE 120 - HB2 LYS 43 lone 3 100 - 3 - HA PHE 120 - HB3 LYS 43 lone 3 96 - 3 - HA LYS 40 - HB2 LYS 73 lone 2 57 - 3 - HA GLU 66 - HB2 LYS 43 lone 2 99 - 2 - HA GLU 66 - HB2 LYS 96 lone 2 88 - 2 - HA LYS 40 - HB3 LYS 73 lone 2 52 - 3 - HA GLU 66 - HB3 LYS 43 lone 2 94 - 2 - HA PHE 120 - HB2 LYS 44 lone 2 94 - 2 - HA PHE 120 - HB3 LYS 44 lone 2 97 - 2 - HA GLU 92 - HB2 LYS 96 lone 2 78 - 2 - HA GLU 66 - HB3 LYS 44 lone 1 95 - 2 - HA GLU 66 - HB2 LYS 44 lone 1 92 - 2 - HA GLU 92 - HB3 LYS 44 lone 1 86 - 1 - HA GLU 92 - HB2 LYS 44 lone 1 83 - 1 - HA3 GLY 75 - HB2 LYS 73 lone 1 47 - 2 - 1983/4.3=1 HB2 SER 126 - HB2 LYS 43 lone 1 100 - 1 - HA GLU 92 - HB2 LYS 43 lone 1 92 - 1 - HB2 SER 126 - HB3 LYS 43 lone 1 96 - 1 - HA3 GLY 75 - HB3 LYS 73 lone 1 43 - 2 - 1983/4.3=1 HB3 SER 126 - HB2 LYS 43 lone 1 96 - 1 - HA GLU 92 - HB3 LYS 43 lone 1 84 - 1 - HB3 SER 126 - HB3 LYS 43 lone 1 89 - 1 - HA GLU 119 - HB3 LYS 44 lone 1 94 - 1 - HA LYS 123 - HB2 LYS 73 lone 1 56 - 2 - HA GLU 119 - HB2 LYS 44 lone 1 91 - 1 - HA GLU 13 - HB2 LYS 43 lone 1 99 - 1 - HA3 GLY 75 - HB2 LYS 43 lone 1 92 - 1 - HA3 GLY 75 - HB3 LYS 43 lone 1 84 - 1 - HA GLU 13 - HB3 LYS 43 lone 1 94 - 1 - HA GLU 13 - HB3 LYS 44 lone 1 95 - 1 - HA GLU 13 - HB2 LYS 44 lone 1 92 - 1 - HB2 SER 126 - HB2 LYS 96 lone 1 90 - 1 - HB2 SER 126 - HB2 LYS 44 lone 1 94 - 1 - HA LYS 123 - HB3 LYS 73 lone 1 51 - 1 - HA PHE 120 - HB2 LYS 96 lone 1 90 - 1 - HB2 SER 126 - HB3 LYS 44 lone 1 97 - 1 - HB3 SER 126 - HB2 LYS 96 lone 1 83 - 1 - HB3 SER 126 - HB2 LYS 44 lone 1 87 - 1 - HA GLU 119 - HB2 LYS 96 lone 0 87 - 1 - HB3 SER 126 - HB3 LYS 44 lone 0 90 - 1 - HA GLU 119 - HB2 LYS 73 lone 1 54 - 1 - HA GLU 13 - HB2 LYS 96 lone 0 88 - 0 - HA GLU 119 - HB3 LYS 73 lone 0 50 - 1 - HA GLU 66 - HB2 LYS 73 lone 0 55 - 1 - HB2 SER 126 - HB2 LYS 73 lone 0 56 - 1 - HA GLU 66 - HB3 LYS 73 lone 0 51 - 1 - HA GLU 13 - HB2 LYS 73 lone 0 55 - 1 - HB2 SER 126 - HB3 LYS 73 lone 0 52 - 1 - HA GLU 87 - HB2 LYS 43 lone 0 84 - 0 - HB3 SER 126 - HB2 LYS 73 lone 0 50 - 1 - HA GLU 87 - HB3 LYS 43 lone 0 76 - 0 - HA GLU 13 - HB3 LYS 73 lone 0 51 - 1 - HB3 SER 126 - HB3 LYS 73 lone 0 46 - 1 - HA GLU 87 - HB3 LYS 44 lone 0 77 - 0 - HA3 GLY 75 - HB3 LYS 44 lone 0 86 - 0 - HA PHE 120 - HB2 LYS 73 lone 0 57 - 1 - HA3 GLY 75 - HB2 LYS 44 lone 0 83 - 0 - HA GLU 87 - HB2 LYS 44 lone 0 74 - 0 - HA PHE 120 - HB3 LYS 73 lone 0 52 - 1 - HA3 GLY 101 - HB2 LYS 43 lone 0 84 - 0 - HA GLU 92 - HB2 LYS 73 lone 0 47 - 1 - HA3 GLY 75 - HB2 LYS 96 lone 0 78 - 0 - HA GLU 87 - HB2 LYS 96 lone 0 70 - 0 - HA3 GLY 101 - HB3 LYS 43 lone 0 76 - 0 - HA GLU 92 - HB3 LYS 73 lone 0 43 - 1 - HA3 GLY 101 - HB3 LYS 44 lone 0 77 - 0 - HA3 GLY 101 - HB2 LYS 44 lone 0 74 - 0 - HA3 GLY 101 - HB2 LYS 96 lone 0 70 - 0 - HA GLU 87 - HB2 LYS 73 lone 0 41 - 0 - HA GLU 87 - HB3 LYS 73 lone 0 38 - 0 - HA3 GLY 101 - HB2 LYS 73 lone 0 41 - 0 - HA3 GLY 101 - HB3 LYS 73 lone 0 38 - 0 - Peak 8066 from cnoeabs.peaks (1.90, 4.02, 59.59 ppm; 2.88 A): 5 out of 40 assignments used, quality = 0.71: HB2 LYS 96 + HA LYS 40 OK 28 100 - 28 - 8067=7, ~6091=4, ~8044=3...(10) * HB3 LYS 43 + HA LYS 40 OK 27 100 - 27 - 4.0/8063=9, 8065=6...(6) HB2 LYS 43 + HA LYS 40 OK 26 98 - 27 - 4.0/8063=9, 8065=7...(6) HB2 ARG 95 + HA LYS 40 OK 16 99 - 16 - 7789/3.0=3, 1.8/8203=2...(7) HB3 LYS 44 + HA LYS 40 OK 11 99 - 11 - 8065=3, 1.8/8065=2...(4) HB2 LYS 44 - HA LYS 40 poor 10 92 - 11 - 8065=3, 1.8/8065=2...(4) HB2 LYS 20 - HA LYS 40 lone 6 90 - 6 - 8067=1 HB3 LYS 20 - HA LYS 40 lone 6 90 - 6 - 8067=1 HB3 LYS 43 - HA GLU 119 lone 4 96 - 4 - 4.0/8063=1, 8065=1 HB2 LYS 43 - HA GLU 119 lone 4 92 - 4 - 4.0/8063=1, 8065=1 HB2 LYS 73 - HA LYS 40 lone 3 98 - 3 - HB3 LYS 73 - HA LYS 40 lone 3 97 - 3 - HB3 LYS 123 - HA LYS 40 lone 3 84 - 4 - HB2 ARG 95 - HA GLU 119 lone 3 94 - 3 - HB ILE 15 - HA LYS 40 lone 2 81 - 3 - 4.5/1983=2 HG2 MET 121 - HA GLU 119 lone 2 66 - 3 - ~1783=1, 3.0/6911=1 HB2 GLU 128 - HA LYS 40 lone 1 100 - 1 - HB2 LEU 81 - HA GLU 119 lone 1 59 - 2 - HB2 LEU 45 - HA GLU 119 lone 1 95 - 1 - HB2 LYS 20 - HA GLU 119 lone 1 82 - 1 - HB3 LYS 20 - HA GLU 119 lone 1 82 - 1 - HB2 LEU 45 - HA LYS 40 lone 1 100 - 1 - HB ILE 15 - HA GLU 119 lone 1 73 - 1 - HB3 LYS 123 - HA GLU 119 lone 1 77 - 1 - HB2 LYS 73 - HA GLU 119 lone 1 92 - 1 - HB3 LYS 73 - HA GLU 119 lone 1 91 - 1 - HB3 LYS 44 - HA GLU 119 lone 1 93 - 1 - HB2 LYS 44 - HA GLU 119 lone 1 85 - 1 - HG LEU 45 - HA LYS 40 lone 1 61 - 1 - HB ILE 7 - HA GLU 119 lone 1 87 - 1 - HB2 GLU 128 - HA GLU 119 lone 1 96 - 1 - HB2 LYS 96 - HA GLU 119 lone 0 96 - 0 - HG LEU 45 - HA GLU 119 lone 0 55 - 1 - HB ILE 71 - HA LYS 40 lone 0 99 - 0 - HB2 LYS 49 - HA LYS 40 lone 0 100 - 0 - HB ILE 7 - HA LYS 40 lone 0 94 - 0 - HG2 MET 121 - HA LYS 40 lone 0 73 - 0 - HB2 LYS 49 - HA GLU 119 lone 0 96 - 0 - HB ILE 71 - HA GLU 119 lone 0 93 - 0 - HB2 LEU 81 - HA LYS 40 lone 0 65 - 0 - Peak 8067 from cnoeabs.peaks (4.02, 1.90, 31.96 ppm; 2.84 A): 5 out of 108 assignments used, quality = 0.70: HA LYS 40 + HB2 LYS 96 OK 30 97 - 32 - 8066=8, 3650/1.8=4...(11) * HA LYS 40 + HB3 LYS 43 OK 27 100 - 28 - 8063/4.0=9, 8066=7...(5) HA LYS 40 + HB2 LYS 43 OK 26 96 - 27 - 8063/4.0=9, 8066=7...(4) HA LYS 40 + HB3 LYS 44 OK 10 92 - 11 - 8066=3, 8064/1.8=2, ~8044=1 HA LYS 123 + HB3 LYS 44 OK 10 91 - 11 - 7070=2, 7070/1.8=1 HA LYS 123 - HB2 LYS 44 poor 9 75 - 11 - 7070=2, 7070/1.8=1...(4) HA LYS 40 - HB2 LYS 44 poor 9 77 - 11 - 8064=3, 8064/1.8=2, ~8044=1 HA LYS 123 - HB2 LYS 96 lone 5 96 - 6 - 8202/1.8=1 HA LYS 40 - HB3 LYS 20 lone 5 78 - 7 - 8066=2, 8066/1.8=1 HA LYS 40 - HB2 LYS 20 lone 5 78 - 7 - 8066=2, 8066/1.8=1 HA GLU 119 - HB3 LYS 43 lone 5 99 - 4 - 8063/4.0=1, 8066=1 HA LYS 123 - HB3 LYS 43 lone 4 100 - 4 - HA GLU 119 - HB2 LYS 43 lone 4 93 - 4 - 8063/4.0=1, 8064=1 HA LYS 123 - HB2 LYS 43 lone 4 95 - 4 - HA PHE 120 - HB3 LYS 43 lone 3 100 - 3 - HA LYS 40 - HB2 LYS 73 lone 3 78 - 4 - HA LYS 40 - HB3 LYS 73 lone 3 76 - 4 - HA PHE 120 - HB2 LYS 43 lone 3 96 - 3 - HA GLU 66 - HB2 LYS 96 lone 2 95 - 2 - HA GLU 66 - HB3 LYS 43 lone 2 99 - 2 - HA GLU 66 - HB2 LYS 43 lone 2 94 - 2 - HA GLU 92 - HB2 LYS 96 lone 2 86 - 2 - HA3 GLY 75 - HB2 LYS 73 lone 2 67 - 2 - 1983/4.3=1 HA3 GLY 75 - HB3 LYS 73 lone 2 64 - 2 - 1983/4.3=1 HA GLU 66 - HB3 LYS 44 lone 1 91 - 2 - HA PHE 120 - HB3 LYS 44 lone 1 92 - 1 - HA LYS 123 - HB2 LYS 73 lone 1 77 - 2 - HA GLU 119 - HB3 LYS 20 lone 1 75 - 1 - HA GLU 119 - HB2 LYS 20 lone 1 75 - 1 - HA GLU 92 - HB3 LYS 44 lone 1 81 - 1 - HA GLU 66 - HB2 LYS 44 lone 1 75 - 1 - HA PHE 120 - HB2 LYS 44 lone 1 77 - 1 - HB2 SER 126 - HB3 LYS 43 lone 1 100 - 1 - HB2 SER 126 - HB2 LYS 43 lone 1 96 - 1 - HA GLU 92 - HB3 LYS 43 lone 1 92 - 1 - HB3 SER 126 - HB3 LYS 43 lone 1 96 - 1 - HB3 SER 126 - HB2 LYS 43 lone 1 89 - 1 - HA GLU 92 - HB2 LYS 43 lone 1 84 - 1 - HA LYS 123 - HB3 LYS 20 lone 1 77 - 1 - HA LYS 123 - HB2 LYS 20 lone 1 77 - 1 - HA LYS 123 - HB3 LYS 73 lone 1 75 - 1 - HA GLU 92 - HB2 LYS 44 lone 1 65 - 1 - HA GLU 119 - HB3 LYS 44 lone 1 89 - 1 - HA3 GLY 75 - HB3 LYS 43 lone 1 92 - 1 - HA GLU 13 - HB3 LYS 43 lone 1 99 - 1 - HA GLU 13 - HB2 LYS 20 lone 1 76 - 1 - HA GLU 13 - HB3 LYS 20 lone 1 76 - 1 - HA GLU 13 - HB2 LYS 43 lone 1 94 - 1 - HA GLU 66 - HB2 LYS 73 lone 1 76 - 1 - HA GLU 119 - HB2 LYS 73 lone 1 75 - 1 - HA3 GLY 75 - HB2 LYS 43 lone 1 84 - 1 - HA GLU 66 - HB3 LYS 73 lone 1 74 - 1 - HA GLU 119 - HB3 LYS 73 lone 1 73 - 1 - HB2 SER 126 - HB2 LYS 96 lone 1 97 - 1 - HA GLU 66 - HB3 LYS 20 lone 1 76 - 1 - HA GLU 66 - HB2 LYS 20 lone 1 76 - 1 - HA GLU 119 - HB2 LYS 44 lone 1 74 - 1 - HB2 SER 126 - HB2 LYS 73 lone 1 78 - 1 - HB3 SER 126 - HB2 LYS 96 lone 1 90 - 1 - HB2 SER 126 - HB3 LYS 73 lone 1 75 - 1 - HA GLU 13 - HB2 LYS 73 lone 1 76 - 1 - HA PHE 120 - HB2 LYS 96 lone 1 97 - 1 - HB3 SER 126 - HB2 LYS 73 lone 1 71 - 1 - HA GLU 13 - HB3 LYS 73 lone 1 74 - 1 - HA GLU 119 - HB2 LYS 96 lone 1 94 - 1 - HB2 SER 126 - HB3 LYS 44 lone 1 92 - 1 - HB3 SER 126 - HB3 LYS 73 lone 1 68 - 1 - HA GLU 13 - HB3 LYS 44 lone 1 91 - 1 - HB2 SER 126 - HB2 LYS 20 lone 1 78 - 1 - HB2 SER 126 - HB3 LYS 20 lone 1 78 - 1 - HA GLU 13 - HB2 LYS 96 lone 0 95 - 1 - HA PHE 120 - HB2 LYS 73 lone 1 78 - 1 - HB3 SER 126 - HB3 LYS 44 lone 0 85 - 1 - HA PHE 120 - HB3 LYS 73 lone 0 76 - 1 - HB3 SER 126 - HB3 LYS 20 lone 0 70 - 1 - HB3 SER 126 - HB2 LYS 20 lone 0 70 - 1 - HB2 SER 126 - HB2 LYS 44 lone 0 76 - 1 - HA GLU 13 - HB2 LYS 44 lone 0 75 - 1 - HB3 SER 126 - HB2 LYS 44 lone 0 69 - 1 - HA GLU 87 - HB3 LYS 43 lone 0 84 - 0 - HA GLU 92 - HB2 LYS 73 lone 0 67 - 1 - HA GLU 92 - HB3 LYS 73 lone 0 64 - 1 - HA GLU 92 - HB2 LYS 20 lone 0 66 - 1 - HA GLU 92 - HB3 LYS 20 lone 0 66 - 1 - HA GLU 87 - HB2 LYS 43 lone 0 76 - 0 - HA GLU 87 - HB3 LYS 44 lone 0 72 - 0 - HA PHE 120 - HB3 LYS 20 lone 0 78 - 0 - HA PHE 120 - HB2 LYS 20 lone 0 78 - 0 - HA3 GLY 75 - HB3 LYS 44 lone 0 81 - 0 - HA GLU 87 - HB2 LYS 96 lone 0 78 - 0 - HA3 GLY 75 - HB2 LYS 96 lone 0 86 - 0 - HA3 GLY 101 - HB3 LYS 43 lone 0 84 - 0 - HA3 GLY 75 - HB2 LYS 20 lone 0 66 - 0 - HA3 GLY 75 - HB3 LYS 20 lone 0 66 - 0 - HA3 GLY 101 - HB2 LYS 43 lone 0 76 - 0 - HA GLU 87 - HB2 LYS 73 lone 0 59 - 0 - HA3 GLY 75 - HB2 LYS 44 lone 0 65 - 0 - HA GLU 87 - HB2 LYS 44 lone 0 57 - 0 - HA GLU 87 - HB3 LYS 73 lone 0 57 - 0 - HA GLU 87 - HB3 LYS 20 lone 0 59 - 0 - HA GLU 87 - HB2 LYS 20 lone 0 59 - 0 - HA3 GLY 101 - HB2 LYS 96 lone 0 78 - 0 - HA3 GLY 101 - HB3 LYS 44 lone 0 72 - 0 - HA3 GLY 101 - HB2 LYS 73 lone 0 59 - 0 - HA3 GLY 101 - HB3 LYS 73 lone 0 57 - 0 - HA3 GLY 101 - HB2 LYS 20 lone 0 59 - 0 - HA3 GLY 101 - HB3 LYS 20 lone 0 59 - 0 - HA3 GLY 101 - HB2 LYS 44 lone 0 57 - 0 - Peak 8070 from cnoeabs.peaks (7.45, 4.26, 58.07 ppm; 4.62 A): 1 out of 1 assignment used, quality = 0.75: * H LYS 44 + HA GLU 41 OK 75 100 - 75 - 2052/3.6=30, 2060=28...(14) Peak 8071 from cnoeabs.peaks (1.91, 4.26, 58.07 ppm; 3.51 A): 6 out of 19 assignments used, quality = 0.84: * HB2 LYS 44 + HA GLU 41 OK 40 100 - 40 - 4.0/8070=15, 8072=7...(9) HB3 LYS 44 + HA GLU 41 OK 39 99 - 40 - 4.0/8070=15, 8072=7...(9) HB2 LYS 43 + HA GLU 41 OK 25 99 - 25 - 4.7/8070=13, 4.0/2053=5...(5) HB3 LYS 43 + HA GLU 41 OK 23 92 - 25 - 4.7/8070=13, 4.0/2053=5...(5) HB2 LYS 96 + HA GLU 41 OK 14 92 - 16 - ~2046=3, ~8047=3, ~230=2...(5) HB2 LEU 45 + HA GLU 41 OK 11 97 - 12 - 4.0/2066=5, 3.1/9398=4, ~9394=2 HB ILE 15 - HA GLU 41 lone 9 99 - 9 - 7966=3, 2.1/9178=2...(5) HB3 LYS 123 - HA GLU 41 lone 3 100 - 3 - HB ILE 7 - HA GLU 41 lone 3 61 - 5 - 2.1/9398=2, ~9394=1 HB2 GLU 128 - HA GLU 41 lone 2 92 - 3 - HB2 LYS 73 - HA GLU 41 lone 2 73 - 2 - HB3 LYS 73 - HA GLU 41 lone 2 70 - 2 - HB2 ARG 95 - HA GLU 41 lone 2 81 - 2 - HB3 LYS 17 - HA GLU 41 lone 1 90 - 1 - HB2 LEU 81 - HA GLU 41 lone 1 96 - 1 - HB ILE 71 - HA GLU 41 lone 1 77 - 1 - HB2 LYS 49 - HA GLU 41 lone 1 87 - 1 - HB2 LYS 115 - HA GLU 41 lone 1 70 - 1 - HG2 MET 121 - HA GLU 41 lone 0 98 - 0 - Peak 8072 from cnoeabs.peaks (4.26, 1.91, 32.07 ppm; 3.51 A): 7 out of 42 assignments used, quality = 0.93: * HA GLU 41 + HB2 LYS 44 OK 44 100 - 44 - 8070/4.0=15, 8071=11...(9) HA GLU 41 + HB3 LYS 44 OK 43 97 - 44 - 8070/4.0=15, 8071=11...(9) HA ALA 46 + HB2 LYS 43 OK 35 80 - 43 - ~8086=12, ~8085=8...(11) HA GLU 41 + HB2 LYS 43 OK 27 94 - 29 - 8070/4.7=13, 8071=7...(5) HA ALA 46 + HB3 LYS 43 OK 26 63 - 41 - ~8086=12, ~8085=8...(9) HA GLU 47 + HB2 LYS 44 OK 24 84 - 29 - 3.9/11237=5, 3.0/9462=3...(11) HA GLU 41 + HB3 LYS 43 OK 22 77 - 29 - 8070/4.7=13, 8073=6...(5) HA GLU 47 - HB3 LYS 44 OK 22 78 - 28 - 3.9/11237=4, 3.0/9462=3...(11) HA ALA 46 - HB2 LYS 44 OK 16 90 - 18 - 2066/4.7=5, 2060/4.0=4...(5) HA ALA 46 - HB3 LYS 44 OK 15 84 - 18 - 2066/4.7=5, 2060/4.0=4...(5) HA GLU 41 - HB2 LYS 96 OK 14 83 - 17 - 8073=4, ~2046=3, ~8047=3...(5) HA GLU 47 - HB2 LYS 43 lone 4 74 - 6 - 2060/4.7=2, 3.0/9462=1 HA GLU 47 - HB3 LYS 43 lone 3 57 - 6 - 2060/4.7=2 HA GLU 41 - HB3 LYS 123 lone 3 72 - 4 - HA ASP 12 - HB2 LYS 44 lone 3 92 - 3 - HA ASP 12 - HB3 LYS 44 lone 2 87 - 3 - HA GLU 47 - HB2 LYS 96 lone 2 63 - 4 - HA ASP 12 - HB2 LYS 43 lone 2 83 - 2 - HA ASP 12 - HB3 LYS 43 lone 1 65 - 2 - HA VAL 32 - HB2 LYS 44 lone 1 77 - 2 - HA ALA 46 - HB2 LYS 96 lone 1 68 - 2 - HA VAL 32 - HB3 LYS 44 lone 1 72 - 2 - HA LEU 127 - HB3 LYS 123 lone 1 37 - 3 - HA ALA 46 - HB3 LYS 123 lone 1 59 - 2 - HA GLU 52 - HB2 LYS 44 lone 1 99 - 1 - HA LEU 127 - HB2 LYS 96 lone 1 44 - 2 - HA GLU 52 - HB3 LYS 44 lone 1 95 - 1 - HA VAL 32 - HB2 LYS 96 lone 1 57 - 1 - HA LEU 127 - HB2 LYS 44 lone 1 61 - 1 - HA LEU 127 - HB3 LYS 44 lone 1 57 - 1 - HA VAL 32 - HB2 LYS 43 lone 1 68 - 1 - HA ASP 12 - HB3 LYS 123 lone 1 61 - 1 - HA GLU 52 - HB2 LYS 43 lone 1 91 - 1 - HA GLU 47 - HB3 LYS 123 lone 1 54 - 1 - HA GLU 52 - HB3 LYS 43 lone 0 74 - 1 - HA VAL 32 - HB3 LYS 43 lone 0 52 - 1 - HA ASP 12 - HB2 LYS 96 lone 0 71 - 1 - HA LEU 127 - HB2 LYS 43 lone 0 53 - 1 - HA GLU 52 - HB2 LYS 96 lone 0 80 - 0 - HA GLU 52 - HB3 LYS 123 lone 0 70 - 0 - HA LEU 127 - HB3 LYS 43 lone 0 40 - 1 - HA VAL 32 - HB3 LYS 123 lone 0 49 - 0 - Peak 8073 from cnoeabs.peaks (1.91, 4.26, 58.07 ppm; 3.51 A): 6 out of 20 assignments used, quality = 0.85: * HB3 LYS 44 + HA GLU 41 OK 40 100 - 40 - 4.0/8070=15, 8072=7...(9) HB2 LYS 44 + HA GLU 41 OK 39 99 - 40 - 4.0/8070=15, 8072=7...(9) HB2 LYS 43 + HA GLU 41 OK 25 100 - 25 - 4.7/8070=13, 4.0/2053=5...(5) HB3 LYS 43 + HA GLU 41 OK 25 99 - 25 - 4.7/8070=13, 4.0/2053=5...(5) HB2 LYS 96 + HA GLU 41 OK 15 99 - 16 - ~2046=3, ~8047=3, ~230=2...(5) HB2 LEU 45 + HA GLU 41 OK 12 100 - 12 - 4.0/2066=5, 3.1/9398=4, ~9394=2 HB ILE 15 - HA GLU 41 lone 9 94 - 9 - 7966=2, 2.1/9178=2...(5) HB ILE 7 - HA GLU 41 lone 4 81 - 5 - 2.1/9398=2, ~9394=1 HB3 LYS 123 - HA GLU 41 lone 3 96 - 3 - HB2 GLU 128 - HA GLU 41 lone 3 99 - 3 - HB2 LYS 73 - HA GLU 41 lone 2 90 - 2 - HB3 LYS 73 - HA GLU 41 lone 2 87 - 2 - HB2 ARG 95 - HA GLU 41 lone 2 94 - 2 - HB2 LYS 20 - HA GLU 41 lone 1 73 - 1 - HB3 LYS 20 - HA GLU 41 lone 1 73 - 1 - HB3 LYS 17 - HA GLU 41 lone 1 73 - 1 - HB ILE 71 - HA GLU 41 lone 1 92 - 1 - HB2 LEU 81 - HA GLU 41 lone 1 84 - 1 - HB2 LYS 49 - HA GLU 41 lone 1 97 - 1 - HG2 MET 121 - HA GLU 41 lone 0 90 - 0 - Peak 8074 from cnoeabs.peaks (4.26, 1.91, 32.07 ppm; 3.51 A): 6 out of 56 assignments used, quality = 0.93: * HA GLU 41 + HB3 LYS 44 OK 44 100 - 44 - 8070/4.0=15, 8071=11...(9) HA GLU 41 + HB2 LYS 44 OK 43 97 - 44 - 8070/4.0=15, 8071=11...(9) HA ALA 46 + HB2 LYS 43 OK 36 83 - 43 - ~8086=12, ~8085=8...(11) HA ALA 46 + HB3 LYS 43 OK 33 78 - 42 - ~8086=12, ~8085=8...(10) HA GLU 41 + HB2 LYS 43 OK 28 97 - 29 - 8070/4.7=13, 8071=7...(5) HA GLU 41 + HB3 LYS 43 OK 27 92 - 29 - 8070/4.7=13, 8073=7...(5) HA GLU 47 - HB3 LYS 44 OK 23 84 - 28 - 3.9/11238=4, 3.0/9462=3...(11) HA GLU 47 - HB2 LYS 44 OK 23 78 - 29 - 3.9/11237=4, 3.0/9462=3...(11) HA GLU 41 - HB2 LYS 96 OK 17 97 - 17 - 8073=4, ~2046=3, ~8047=3...(5) HA ALA 46 - HB3 LYS 44 OK 16 90 - 18 - 2066/4.7=5, 2060/4.0=4...(5) HA ALA 46 - HB2 LYS 44 OK 15 84 - 18 - 2066/4.7=5, 2060/4.0=4...(5) HA GLU 47 - HB2 LYS 43 lone 5 77 - 6 - 2060/4.7=2, 3.0/9462=1 HA GLU 47 - HB3 LYS 43 lone 4 72 - 6 - 2060/4.7=2 HA GLU 47 - HB2 LYS 96 lone 3 78 - 4 - HA ALA 46 - HB2 LYS 73 lone 3 61 - 4 - HA ASP 12 - HB3 LYS 44 lone 2 92 - 3 - HA ALA 46 - HB3 LYS 73 lone 2 57 - 4 - HA GLU 41 - HB3 LYS 123 lone 2 61 - 4 - HA ASP 12 - HB2 LYS 44 lone 2 87 - 3 - HA GLU 41 - HB2 LYS 73 lone 2 75 - 3 - HA GLU 41 - HB3 LYS 73 lone 2 70 - 3 - HA GLU 47 - HB2 LYS 73 lone 2 56 - 4 - HA ASP 12 - HB2 LYS 43 lone 2 86 - 2 - HA GLU 47 - HB3 LYS 73 lone 2 52 - 4 - HA ALA 46 - HB2 LYS 96 lone 2 84 - 2 - HA ASP 12 - HB3 LYS 43 lone 2 81 - 2 - HA VAL 32 - HB2 LYS 73 lone 2 51 - 3 - HA ASP 12 - HB2 LYS 73 lone 2 64 - 3 - 7967/4.3=2 HA VAL 32 - HB3 LYS 73 lone 2 47 - 3 - HA VAL 32 - HB3 LYS 44 lone 1 77 - 2 - HA ASP 12 - HB3 LYS 73 lone 1 59 - 3 - 7967/4.3=2 HA VAL 32 - HB2 LYS 44 lone 1 72 - 2 - HA VAL 32 - HB2 LYS 96 lone 1 72 - 2 - HA LEU 127 - HB2 LYS 96 lone 1 57 - 2 - 3.6/1837=1 HA LEU 127 - HB3 LYS 123 lone 1 31 - 3 - HA ALA 46 - HB3 LYS 123 lone 1 49 - 2 - HA LEU 127 - HB3 LYS 44 lone 1 61 - 1 - HA GLU 52 - HB3 LYS 44 lone 1 99 - 1 - HA GLU 52 - HB2 LYS 44 lone 1 95 - 1 - HA VAL 32 - HB2 LYS 43 lone 1 71 - 1 - HA LEU 127 - HB2 LYS 44 lone 1 57 - 1 - HA VAL 32 - HB3 LYS 43 lone 1 66 - 1 - HA GLU 52 - HB2 LYS 43 lone 1 94 - 1 - HA GLU 52 - HB3 LYS 43 lone 1 89 - 1 - HA ASP 12 - HB2 LYS 96 lone 1 87 - 1 - HA ASP 12 - HB3 LYS 123 lone 0 51 - 1 - HA LEU 127 - HB2 LYS 43 lone 0 56 - 1 - HA GLU 47 - HB3 LYS 123 lone 0 45 - 1 - HA GLU 52 - HB2 LYS 96 lone 0 95 - 0 - HA LEU 127 - HB3 LYS 43 lone 0 52 - 1 - HA LEU 127 - HB2 LYS 73 lone 0 39 - 1 - HA GLU 52 - HB2 LYS 73 lone 0 72 - 0 - HA LEU 127 - HB3 LYS 73 lone 0 36 - 1 - HA GLU 52 - HB3 LYS 73 lone 0 67 - 0 - HA GLU 52 - HB3 LYS 123 lone 0 59 - 0 - HA VAL 32 - HB3 LYS 123 lone 0 40 - 0 - Peak 8077 from cnoeabs.peaks (8.16, 4.38, 57.05 ppm; 5.88 A): 2 out of 2 assignments used, quality = 0.96: * H LEU 45 + HA MET 42 OK 94 100 - 94 - 2065=34, 11317/3.6=34...(12) H ARG 95 + HA MET 42 OK 34 100 - 35 - 2057/3.6=11, 4011/9434=5...(11) Peak 8078 from cnoeabs.peaks (1.90, 4.38, 57.05 ppm; 3.69 A): 6 out of 20 assignments used, quality = 0.89: * HB2 LEU 45 + HA MET 42 OK 71 100 - 71 - 8079=20, 1.8/8081=17...(12) HB3 LYS 44 + HA MET 42 OK 23 100 - 23 - 4.7/2065=11, 4.0/2058=7 HB2 LYS 44 + HA MET 42 OK 22 97 - 22 - 4.7/2065=11, 4.0/2058=7 HB2 LYS 43 + HA MET 42 OK 18 100 - 19 - 3820/3.6=9, 4.7/2058=6, ~9411=2 HB3 LYS 43 + HA MET 42 OK 18 100 - 18 - 3820/3.6=9, 4.7/2058=6, ~9411=2 HB2 ARG 95 + HA MET 42 OK 11 97 - 11 - 3.9/8077=3, 6023/2065=2...(5) HB3 LYS 20 - HA MET 42 lone 4 81 - 5 - 3830/3.6=2 HB2 LYS 20 - HA MET 42 lone 4 81 - 5 - 3830/3.6=2 HB2 LYS 73 - HA MET 42 lone 3 94 - 3 - HB3 LYS 73 - HA MET 42 lone 3 92 - 3 - HB2 LYS 96 - HA MET 42 lone 3 100 - 3 - HB ILE 7 - HA MET 42 lone 3 87 - 3 - HB ILE 71 - HA MET 42 lone 2 96 - 2 - ~9780=1 HB2 GLU 128 - HA MET 42 lone 2 100 - 2 - HB ILE 15 - HA MET 42 lone 2 90 - 2 - HB3 LYS 123 - HA MET 42 lone 2 92 - 2 - HB3 LYS 17 - HA MET 42 lone 1 65 - 1 - HB2 LEU 81 - HA MET 42 lone 1 77 - 1 - HB2 LYS 49 - HA MET 42 lone 1 99 - 1 - HG2 MET 121 - HA MET 42 lone 0 84 - 1 - Peak 8079 from cnoeabs.peaks (4.38, 1.90, 41.77 ppm; 4.45 A): 2 out of 3 assignments used, quality = 0.88: * HA MET 42 + HB2 LEU 45 OK 83 100 - 83 - 8080/1.8=26, 9435/3.1=23...(12) HA GLU 48 + HB2 LEU 45 OK 28 92 - 31 - 8081/1.8=9, 9434/3.0=6...(6) HA SER 72 - HB2 LEU 45 poor 10 65 - 14 - 8081/1.8=3, 2065/4.0=2...(7) Peak 8080 from cnoeabs.peaks (1.49, 4.38, 57.05 ppm; 4.79 A): 2 out of 8 assignments used, quality = 0.91: * HB3 LEU 45 + HA MET 42 OK 89 100 - 89 - 8081=34, 1.8/8079=30...(11) HB3 LEU 14 + HA MET 42 OK 12 87 - 13 - 3.1/9415=4, 9411/3.0=3...(4) HG3 LYS 73 - HA MET 42 lone 6 96 - 6 - 1295/2065=2 HG3 LYS 20 - HA MET 42 lone 5 92 - 5 - ~9411=1 QB ALA 124 - HA MET 42 lone 2 65 - 4 - 9411/3.0=1 HG3 ARG 118 - HA MET 42 lone 2 100 - 2 - HG2 ARG 30 - HA MET 42 lone 2 90 - 2 - HD2 LYS 53 - HA MET 42 lone 1 98 - 1 - Peak 8081 from cnoeabs.peaks (4.38, 1.49, 41.77 ppm; 4.56 A): 3 out of 3 assignments used, quality = 0.92: * HA MET 42 + HB3 LEU 45 OK 87 100 - 87 - 8080=32, 8079/1.8=28...(11) HA GLU 48 + HB3 LEU 45 OK 30 92 - 32 - 8079/1.8=10, 9434/3.0=7...(6) HA SER 72 + HB3 LEU 45 OK 11 65 - 16 - 3.6/1481=3, 8079/1.8=3...(6) Peak 8082 from cnoeabs.peaks (7.64, 4.38, 57.05 ppm; 6.05 A): 3 out of 8 assignments used, quality = 0.88: * H ALA 46 + HA MET 42 OK 84 100 - 84 - 4.3/8080=29, 4.6/2065=28...(10) H LEU 64 + HA MET 42 OK 15 90 - 17 - ~2051=3, 4.8/9416=3...(7) H GLU 69 + HA MET 42 OK 13 92 - 14 - 2071=3, 1890/2065=2...(4) HE21 GLN 85 - HA MET 42 lone 3 84 - 3 - HD21 ASN 50 - HA MET 42 lone 2 99 - 2 - HD21 ASN 10 - HA MET 42 lone 2 99 - 2 - H GLN 100 - HA MET 42 lone 2 81 - 3 - H LYS 115 - HA MET 42 lone 2 57 - 3 - Peak 8084 from cnoeabs.peaks (7.64, 4.09, 59.39 ppm; 3.71 A): 1 out of 16 assignments used, quality = 0.66: * H ALA 46 + HA LYS 43 OK 66 100 - 66 - 2070=36, 2.9/8086=26...(10) H GLU 69 - HA LYS 43 poor 10 92 - 11 - 2070=4, 2062/3.6=3 H LEU 64 - HA LYS 43 lone 2 90 - 3 - H ALA 46 - HA GLU 91 lone 2 32 - 6 - 2.9/8086=2, 2070=2 H GLN 100 - HA GLU 91 lone 1 21 - 4 - 4.6/2178=1 HD21 ASN 50 - HA LYS 43 lone 1 99 - 1 - HD21 ASN 10 - HA LYS 43 lone 1 99 - 1 - H GLN 100 - HA LYS 43 lone 1 81 - 1 - H LYS 115 - HA LYS 43 lone 1 57 - 1 - HE21 GLN 85 - HA LYS 43 lone 1 84 - 1 - H GLU 69 - HA GLU 91 lone 0 26 - 2 - HE21 GLN 85 - HA GLU 91 lone 0 23 - 1 - HD21 ASN 50 - HA GLU 91 lone 0 31 - 0 - HD21 ASN 10 - HA GLU 91 lone 0 31 - 0 - H LEU 64 - HA GLU 91 lone 0 25 - 0 - H LYS 115 - HA GLU 91 lone 0 14 - 1 - Peak 8085 from cnoeabs.peaks (1.55, 4.09, 59.39 ppm; 3.13 A): 3 out of 20 assignments used, quality = 0.59: * QB ALA 46 + HA LYS 43 OK 48 100 - 48 - 8086=32, 2.9/2070=18...(6) HD2 LYS 94 + HA LYS 43 OK 12 84 - 14 - 3.0/3815=3, 1.8/11106=2...(6) HD3 LYS 94 + HA LYS 43 OK 12 84 - 14 - 3.0/3815=3, 1.8/11106=2...(6) HD2 LYS 94 - HA GLU 91 poor 4 23 - 16 - 3.6/8194=4, 3.6/8196=3...(7) HD3 LYS 94 - HA GLU 91 poor 4 23 - 16 - 3.6/8194=4, 3.6/8196=3...(7) QB ALA 46 - HA GLU 91 lone 2 32 - 6 - 8086=3, 2.9/2070=1 HD2 LYS 106 - HA GLU 91 lone 1 25 - 6 - ~10077=2, 1.8/11540=2, 11540=1 HD3 LYS 106 - HA GLU 91 lone 1 24 - 6 - ~10077=2, 1.8/11540=2, 11540=1 HG2 LYS 65 - HA LYS 43 lone 1 100 - 1 - HD2 LYS 106 - HA LYS 43 lone 1 90 - 1 - HD3 LYS 106 - HA LYS 43 lone 1 87 - 1 - HG2 LYS 115 - HA LYS 43 lone 1 90 - 1 - HB VAL 78 - HA LYS 43 lone 0 97 - 0 - HG12 ILE 3 - HA LYS 43 lone 0 90 - 0 - HG12 ILE 3 - HA GLU 91 lone 0 25 - 1 - HG LEU 55 - HA LYS 43 lone 0 73 - 0 - HG2 LYS 65 - HA GLU 91 lone 0 32 - 1 - HB VAL 78 - HA GLU 91 lone 0 29 - 0 - HG LEU 55 - HA GLU 91 lone 0 19 - 1 - HG2 LYS 115 - HA GLU 91 lone 0 25 - 0 - Peak 8086 from cnoeabs.peaks (4.09, 1.55, 18.88 ppm; 3.44 A): 1 out of 5 assignments used, quality = 0.49: * HA LYS 43 + QB ALA 46 OK 49 100 - 49 - 8085=27, 2070/2.9=21...(7) HA GLU 91 - QB ALA 46 lone 4 77 - 5 - 2070/2.9=1, 8085=1 HA LYS 20 - QB ALA 46 lone 4 100 - 4 - 2070/2.9=3 HA GLN 62 - QB ALA 46 lone 1 70 - 1 - HA ASP 110 - QB ALA 46 lone 1 97 - 1 - Peak 8089 from cnoeabs.peaks (7.71, 4.06, 59.50 ppm; 3.75 A): 1 out of 1 assignment used, quality = 0.91: H LEU 70 + HA GLU 69 OK 91 91 - 100 - 3.6=100 Reference assignment not found: H GLU 47 - HA LYS 44 Peak 8090 from cnoeabs.peaks (2.06, 4.06, 59.50 ppm; 2.79 A): 0 out of 57 assignments used, low quality = 0.36: ! HB2 GLU 47 - HA LYS 44 OK 19 100 - 19 - 3.0/11350=4, 1.8/8093=4...(6) HB2 GLU 66 - HA GLU 69 OK 11 63 - 18 - 1.8/5010=4, ~8133=2...(6) HB2 GLU 47 - HA GLU 69 OK 11 93 - 12 - 4.0/2074=3, 1.8/8093=3...(5) HB2 GLU 92 - HA GLU 69 poor 9 92 - 10 - 3.0/5016=1 HB3 MET 67 - HA GLU 69 lone 6 87 - 7 - ~2105=3, ~1454=2, ~8137=2 HB2 GLU 47 - HA GLU 37 lone 6 59 - 9 - 1.8/8093=2, 8091=2...(4) HB3 GLN 100 - HA GLU 69 lone 5 86 - 6 - HB3 GLU 98 - HA GLU 37 lone 4 58 - 8 - 3.0/3505=2 HB2 LYS 94 - HA LYS 44 lone 3 81 - 4 - HB2 LYS 94 - HA GLU 69 lone 1 70 - 2 - HB3 GLU 98 - HA GLU 69 lone 1 92 - 1 - HB3 GLU 91 - HA GLU 69 lone 1 73 - 1 - HB3 GLU 89 - HA GLU 69 lone 1 63 - 2 - HB2 GLU 89 - HA GLU 69 lone 1 63 - 2 - HB2 GLU 13 - HA GLU 69 lone 1 86 - 1 - HB3 GLU 91 - HA LYS 44 lone 1 84 - 1 - HB2 GLU 92 - HA GLU 37 lone 1 58 - 1 - HB2 GLU 92 - HA LYS 44 lone 1 100 - 1 - HB3 GLN 100 - HA GLU 37 lone 1 52 - 1 - HB3 GLU 98 - HA LYS 44 lone 1 100 - 1 - HB3 GLU 48 - HA LYS 44 lone 1 73 - 1 - HB2 GLU 48 - HA LYS 44 lone 1 73 - 1 - HB3 GLU 87 - HA GLU 69 lone 1 63 - 1 - HB VAL 117 - HA GLU 69 lone 1 84 - 1 - HB3 GLN 100 - HA LYS 44 lone 0 96 - 0 - HB2 GLU 66 - HA GLU 37 lone 0 36 - 1 - HB2 GLU 66 - HA LYS 44 lone 0 73 - 1 - HB2 LYS 94 - HA GLU 37 lone 0 41 - 1 - HB2 GLN 28 - HA GLU 69 lone 0 89 - 0 - HB VAL 117 - HA GLU 37 lone 0 51 - 1 - HB3 GLU 89 - HA GLU 37 lone 0 36 - 1 - HB2 GLU 89 - HA GLU 37 lone 0 36 - 1 - HB3 GLU 91 - HA GLU 37 lone 0 43 - 1 - HB2 GLU 13 - HA LYS 44 lone 0 96 - 0 - HB VAL 117 - HA LYS 44 lone 0 94 - 0 - HB3 PHE 79 - HA GLU 69 lone 0 52 - 1 - HB3 GLU 48 - HA GLU 69 lone 0 63 - 0 - HB2 GLU 48 - HA GLU 69 lone 0 63 - 0 - HB2 GLN 28 - HA LYS 44 lone 0 98 - 0 - HB3 GLU 87 - HA LYS 44 lone 0 73 - 0 - HB2 GLU 13 - HA GLU 37 lone 0 52 - 1 - HB3 MET 67 - HA LYS 44 lone 0 97 - 0 - HB3 GLN 85 - HA GLU 37 lone 0 36 - 1 - HB3 GLN 85 - HA GLU 69 lone 0 63 - 0 - HB3 GLU 89 - HA LYS 44 lone 0 73 - 0 - HB2 GLU 89 - HA LYS 44 lone 0 73 - 0 - HG3 GLU 52 - HA LYS 44 lone 0 87 - 0 - HG3 GLU 52 - HA GLU 69 lone 0 76 - 0 - HB3 MET 67 - HA GLU 37 lone 0 54 - 0 - HB3 GLN 85 - HA LYS 44 lone 0 73 - 0 - HB2 GLN 28 - HA GLU 37 lone 0 55 - 0 - HB3 PHE 79 - HA LYS 44 lone 0 61 - 0 - HB3 PHE 79 - HA GLU 37 lone 0 29 - 0 - HB3 GLU 87 - HA GLU 37 lone 0 36 - 0 - HG3 GLU 52 - HA GLU 37 lone 0 45 - 0 - HB2 GLU 48 - HA GLU 37 lone 0 36 - 0 - HB3 GLU 48 - HA GLU 37 lone 0 36 - 0 - Peak 8091 from cnoeabs.peaks (4.06, 2.06, 30.42 ppm; 4.34 A): 5 out of 16 assignments used, quality = 0.77: * HA LYS 44 + HB2 GLU 47 OK 44 100 - 45 - 8093/1.8=12...(9) HA GLU 69 + HB2 GLU 47 OK 29 98 - 29 - 2074/4.0=8, 8093/1.8=8...(5) HA GLU 37 + HB2 GLU 47 OK 23 100 - 23 - 8093/1.8=6, 11350/3.0=3...(8) HA GLU 91 + HB2 GLU 47 OK 16 87 - 18 - 8093/1.8=4, 11350/3.0=4...(7) HA3 GLY 125 + HB2 GLU 47 OK 11 100 - 11 - 8093/1.8=3, 11350/3.0=3...(5) HA2 GLY 125 - HB2 GLU 47 poor 10 94 - 10 - 8093/1.8=3, ~8093=2...(5) HA LYS 96 - HB2 GLU 47 lone 7 99 - 7 - 8093/1.8=2, 11350/3.0=2 HA SER 35 - HB2 GLU 47 lone 2 77 - 2 - HA GLU 91 - HB2 GLN 28 lone 1 78 - 2 - HA GLU 69 - HB2 GLN 28 lone 1 91 - 1 - HA LYS 44 - HB2 GLN 28 lone 1 95 - 1 - HA GLU 37 - HB2 GLN 28 lone 1 95 - 1 - HA LYS 96 - HB2 GLN 28 lone 1 93 - 1 - HA3 GLY 125 - HB2 GLN 28 lone 1 95 - 1 - HA2 GLY 125 - HB2 GLN 28 lone 1 86 - 1 - HA SER 35 - HB2 GLN 28 lone 1 69 - 1 - Peak 8092 from cnoeabs.peaks (2.11, 4.06, 59.50 ppm; 2.96 A): 5 out of 45 assignments used, quality = 0.52: * HB3 GLU 47 + HA LYS 44 OK 21 100 - 22 - 3.0/11350=5, 8093=5...(6) HB3 GLU 47 + HA GLU 69 OK 13 93 - 14 - 4.0/2074=3, 8093=3...(5) HB2 LEU 38 + HA GLU 37 OK 12 57 - 20 - 1234/3.6=12, ~9359=2...(4) HB3 GLU 66 + HA GLU 69 OK 11 59 - 19 - 5010=3, ~8133=2, ~2107=2...(6) HB3 GLU 92 + HA GLU 69 OK 11 92 - 12 - 3.0/5016=1, ~8133=1 HB3 GLU 47 - HA GLU 37 poor 6 59 - 11 - 8093=2, 1.8/8091=2...(5) HB2 GLU 111 - HA GLU 69 lone 5 79 - 6 - 3.0/5016=1 HB2 LEU 38 - HA GLU 69 lone 3 91 - 4 - HB VAL 107 - HA GLU 37 lone 2 55 - 4 - HB2 GLU 91 - HA GLU 69 lone 1 67 - 2 - HB2 GLU 91 - HA LYS 44 lone 1 77 - 1 - HB2 GLU 111 - HA GLU 37 lone 1 47 - 2 - HB3 GLU 92 - HA LYS 44 lone 1 100 - 1 - HB VAL 107 - HA LYS 44 lone 1 98 - 1 - HB3 GLU 92 - HA GLU 37 lone 1 58 - 1 - HB3 GLU 119 - HA GLU 69 lone 1 91 - 1 - HB2 GLU 87 - HA GLU 69 lone 1 63 - 1 - HB2 LEU 38 - HA LYS 44 lone 1 99 - 1 - HB2 GLU 119 - HA GLU 69 lone 1 87 - 1 - HG3 GLN 83 - HA GLU 37 lone 1 54 - 1 - HB2 GLU 21 - HA GLU 69 lone 1 89 - 1 - HB3 GLU 119 - HA LYS 44 lone 1 99 - 1 - HB2 GLU 119 - HA LYS 44 lone 1 97 - 1 - HB VAL 107 - HA GLU 69 lone 1 89 - 1 - HG2 GLU 21 - HA LYS 44 lone 0 99 - 0 - HG3 GLU 21 - HA LYS 44 lone 0 98 - 0 - HG2 GLU 21 - HA GLU 69 lone 0 91 - 0 - HG3 GLU 21 - HA GLU 69 lone 0 89 - 0 - HB3 GLU 66 - HA LYS 44 lone 0 70 - 1 - HB2 GLU 91 - HA GLU 37 lone 0 39 - 1 - HB2 GLU 87 - HA LYS 44 lone 0 73 - 0 - HB2 GLU 111 - HA LYS 44 lone 0 90 - 0 - HB3 GLU 66 - HA GLU 37 lone 0 34 - 1 - HG3 GLN 83 - HA LYS 44 lone 0 97 - 0 - HB2 GLU 21 - HA LYS 44 lone 0 98 - 0 - HB3 GLU 119 - HA GLU 37 lone 0 57 - 0 - HG3 GLN 83 - HA GLU 69 lone 0 87 - 0 - HG2 GLU 52 - HA GLU 69 lone 0 81 - 0 - HB2 GLU 119 - HA GLU 37 lone 0 54 - 0 - HG2 GLU 52 - HA LYS 44 lone 0 92 - 0 - HB2 GLU 21 - HA GLU 37 lone 0 55 - 0 - HG2 GLU 21 - HA GLU 37 lone 0 57 - 0 - HG3 GLU 21 - HA GLU 37 lone 0 55 - 0 - HG2 GLU 52 - HA GLU 37 lone 0 49 - 0 - HB2 GLU 87 - HA GLU 37 lone 0 36 - 0 - Peak 8093 from cnoeabs.peaks (4.06, 2.11, 30.42 ppm; 4.35 A): 5 out of 8 assignments used, quality = 0.77: * HA LYS 44 + HB3 GLU 47 OK 45 100 - 45 - 8091/1.8=12...(9) HA GLU 69 + HB3 GLU 47 OK 29 98 - 29 - 2074/4.0=8, 8091/1.8=8...(5) HA GLU 37 + HB3 GLU 47 OK 23 100 - 23 - 8091/1.8=6, 11350/3.0=3...(7) HA GLU 91 + HB3 GLU 47 OK 16 87 - 18 - 11350/3.0=4, 8091/1.8=4...(7) HA3 GLY 125 + HB3 GLU 47 OK 11 100 - 11 - 8091/1.8=3, 11350/3.0=3...(5) HA2 GLY 125 - HB3 GLU 47 poor 10 94 - 10 - 8091/1.8=3, 11350/3.0=2...(5) HA LYS 96 - HB3 GLU 47 lone 7 99 - 7 - 8091/1.8=2, 11350/3.0=2 HA SER 35 - HB3 GLU 47 lone 2 77 - 3 - Peak 8095 from cnoeabs.peaks (7.67, 3.72, 59.63 ppm; 4.60 A): 1 out of 3 assignments used, quality = 0.61: * H LEU 63 + HA LYS 61 OK 61 100 - 61 - 1905/3.6=36, 4.6/8096=16...(7) H GLU 21 - HA LYS 61 lone 9 98 - 9 - 1905/3.6=3, 123/3.0=2 HE ARG 118 - HA LYS 61 lone 8 99 - 8 - 1905/3.6=2, 7.0/8101=2...(4) Peak 8096 from cnoeabs.peaks (7.63, 3.72, 59.63 ppm; 4.91 A): 2 out of 10 assignments used, quality = 0.87: * H LEU 64 + HA LYS 61 OK 86 100 - 86 - 3.6/8097=28, 2083=28...(11) H LYS 115 + HA LYS 61 OK 11 94 - 11 - 4.9/9652=3, 4.9/6693=2 H GLU 69 - HA LYS 61 lone 5 100 - 5 - 4786/9652=1 H LEU 74 - HA LYS 61 lone 3 70 - 5 - 3.8/11275=1 H ASP 34 - HA LYS 61 lone 3 92 - 3 - 1906/8095=1 HE21 GLN 85 - HA LYS 61 lone 2 100 - 2 - 1906/8095=1 H ALA 46 - HA LYS 61 lone 2 90 - 2 - HD21 ASN 50 - HA LYS 61 lone 2 97 - 2 - H GLN 100 - HA LYS 61 lone 2 100 - 2 - HD21 ASN 10 - HA LYS 61 lone 1 77 - 1 - Peak 8097 from cnoeabs.peaks (1.79, 3.72, 59.63 ppm; 4.18 A): 1 out of 10 assignments used, quality = 0.73: * HB2 LEU 64 + HA LYS 61 OK 73 100 - 73 - 8098=26, 1.8/8100=20...(9) HB2 ARG 118 - HA LYS 61 lone 5 92 - 6 - 4.1/8101=2, 5.1/8095=2 HB2 LYS 19 - HA LYS 61 lone 3 100 - 3 - HB VAL 32 - HA LYS 61 lone 2 84 - 2 - 1417/8096=1 HB2 LEU 90 - HA LYS 61 lone 2 84 - 2 - HB ILE 97 - HA LYS 61 lone 1 61 - 2 - HG2 ARG 105 - HA LYS 61 lone 1 73 - 2 - HB ILE 3 - HA LYS 61 lone 1 70 - 2 - HB3 GLN 28 - HA LYS 61 lone 1 98 - 1 - HG12 ILE 5 - HA LYS 61 lone 1 65 - 1 - Peak 8098 from cnoeabs.peaks (3.72, 1.79, 41.35 ppm; 4.32 A): 4 out of 4 assignments used, quality = 0.89: * HA LYS 61 + HB2 LEU 64 OK 79 100 - 79 - 8097=41, 8100/1.8=21...(9) HA LEU 114 + HB2 LEU 64 OK 34 94 - 37 - 8100/1.8=9, 2083/3.6=7...(10) HA2 GLY 101 + HB2 LEU 64 OK 11 100 - 11 - 8100/1.8=3, 9694/3.1=2...(5) HA ILE 71 + HB2 LEU 64 OK 11 77 - 14 - 9694/3.1=5, 8100/1.8=3...(4) Peak 8099 from cnoeabs.peaks (1.63, 3.72, 59.63 ppm; 3.77 A): 3 out of 12 assignments used, quality = 0.87: * HB3 LEU 64 + HA LYS 61 OK 67 100 - 67 - 1.8/8097=26, 8100=17...(11) HG LEU 64 + HA LYS 61 OK 50 84 - 60 - 3.0/8097=20, 2.1/9694=19...(7) HG LEU 63 + HA LYS 61 OK 21 94 - 22 - 5.1/8095=11, 9664/3.6=7...(4) HB2 LEU 82 - HA LYS 61 lone 5 96 - 5 - 9964/3.0=1, 9664/3.6=1 HB ILE 116 - HA LYS 61 lone 4 100 - 4 - HD2 LYS 77 - HA LYS 61 lone 4 99 - 4 - 9849/9656=2 HD3 LYS 77 - HA LYS 61 lone 3 98 - 4 - 9849/9656=2 HG LEU 90 - HA LYS 61 lone 2 92 - 2 - HB ILE 5 - HA LYS 61 lone 1 70 - 2 - HB3 LEU 127 - HA LYS 61 lone 1 73 - 1 - HG2 LYS 16 - HA LYS 61 lone 1 100 - 1 - HG3 LYS 40 - HA LYS 61 lone 1 94 - 1 - Peak 8100 from cnoeabs.peaks (3.72, 1.63, 41.35 ppm; 4.53 A): 4 out of 4 assignments used, quality = 0.91: * HA LYS 61 + HB3 LEU 64 OK 82 100 - 82 - 8097/1.8=35, 8099=21...(12) HA LEU 114 + HB3 LEU 64 OK 34 94 - 36 - 8098/1.8=10, 2083/3.6=8...(8) HA2 GLY 101 + HB3 LEU 64 OK 12 100 - 12 - 8098/1.8=4, 9694/3.1=2...(6) HA ILE 71 + HB3 LEU 64 OK 12 77 - 15 - 9694/3.1=5, 8098/1.8=3...(5) Peak 8101 from cnoeabs.peaks (8.04, 3.72, 59.63 ppm; 6.20 A): 3 out of 9 assignments used, quality = 0.91: * H LYS 65 + HA LYS 61 OK 86 100 - 86 - 4.2/8097=35, 4.6/8096=27...(11) H ARG 118 + HA LYS 61 OK 22 87 - 26 - 4.3/10515=5, 4.4/8258=4...(9) H THR 9 + HA LYS 61 OK 18 98 - 18 - 41/9657=6, 2088=2...(6) H VAL 22 - HA LYS 61 lone 8 100 - 8 - 4.6/8095=4, 2080/8095=1 H LEU 90 - HA LYS 61 lone 7 94 - 7 - H ASP 109 - HA LYS 61 lone 4 100 - 4 - H SER 72 - HA LYS 61 lone 4 77 - 6 - H GLN 122 - HA LYS 61 lone 2 73 - 3 - H GLY 26 - HA LYS 61 lone 1 65 - 2 - Peak 8102 from cnoeabs.peaks (7.63, 4.11, 58.30 ppm; 4.90 A): 3 out of 10 assignments used, quality = 0.85: * H LEU 64 + HA GLN 62 OK 77 100 - 78 - 2081=37, 384/3.6=34...(5) HE21 GLN 85 + HA GLN 62 OK 24 100 - 24 - 3.5/4674=4, 3.5/4674=4...(10) H LYS 115 + HA GLN 62 OK 12 94 - 12 - 4.0/8104=2, 4.0/8104=2...(5) H GLU 69 - HA GLN 62 lone 8 100 - 8 - 2091/8108=2, 1906/3.6=2 H ASP 34 - HA GLN 62 lone 7 92 - 8 - 1906/3.6=4, 9318/3.0=1 HD21 ASN 50 - HA GLN 62 lone 4 97 - 4 - 1906/3.6=3 H ALA 46 - HA GLN 62 lone 4 90 - 4 - 1906/3.6=1 H GLN 100 - HA GLN 62 lone 2 100 - 2 - H LEU 74 - HA GLN 62 lone 1 70 - 2 - HD21 ASN 10 - HA GLN 62 lone 1 77 - 1 - Peak 8103 from cnoeabs.peaks (8.04, 4.11, 58.30 ppm; 3.99 A): 1 out of 9 assignments used, quality = 0.66: * H LYS 65 + HA GLN 62 OK 66 100 - 66 - 2087=29, 4.6/8108=20...(7) H THR 9 - HA GLN 62 lone 8 98 - 8 - 2087=3, 2080/3.6=2, 1858/2.9=1 H ARG 118 - HA GLN 62 lone 7 87 - 9 - 2087=3, 2080/3.6=2...(4) H LEU 90 - HA GLN 62 lone 4 94 - 4 - 398/8108=1, 2080/3.6=1 H VAL 22 - HA GLN 62 lone 3 100 - 3 - 2080/3.6=1 H GLN 122 - HA GLN 62 lone 3 73 - 4 - 398/8108=1 H ASP 109 - HA GLN 62 lone 2 100 - 2 - H SER 72 - HA GLN 62 lone 2 77 - 2 - H GLY 26 - HA GLN 62 lone 1 65 - 1 - Peak 8104 from cnoeabs.peaks (1.93, 4.11, 58.30 ppm; 3.00 A): 2 out of 20 assignments used, quality = 0.59: * HB2 LYS 65 + HA GLN 62 OK 36 100 - 36 - 8107=13, 4.7/8108=10...(4) HB3 LYS 65 + HA GLN 62 OK 36 100 - 36 - 8107=13, 4.7/8108=10...(4) HB2 LYS 39 - HA GLN 62 lone 8 100 - 8 - 2.9/10935=4, 8107=3 HB3 LYS 39 - HA GLN 62 lone 6 81 - 8 - 2.9/10935=4, 1.8/8107=2, 8105=1 HB3 LYS 115 - HA GLN 62 lone 6 100 - 6 - 8107=2, 1.8/8107=1 HB2 LYS 115 - HA GLN 62 lone 5 98 - 6 - 8107=2, 1.8/8107=1 HB2 LYS 123 - HA GLN 62 lone 3 100 - 3 - 8107=1 HB2 LEU 127 - HA GLN 62 lone 1 100 - 1 - HB3 LYS 40 - HA GLN 62 lone 0 90 - 1 - HB2 LEU 81 - HA GLN 62 lone 0 77 - 1 - HB2 LEU 70 - HA GLN 62 lone 0 96 - 0 - HB VAL 104 - HA GLN 62 lone 0 87 - 0 - HB3 LYS 17 - HA GLN 62 lone 0 87 - 0 - HG2 MET 121 - HA GLN 62 lone 0 70 - 0 - HB3 MET 42 - HA GLN 62 lone 0 73 - 0 - HB3 GLU 41 - HA GLN 62 lone 0 77 - 0 - HB2 GLU 41 - HA GLN 62 lone 0 73 - 0 - HB ILE 15 - HA GLN 62 lone 0 61 - 0 - HB3 GLU 52 - HA GLN 62 lone 0 65 - 0 - HB VAL 29 - HA GLN 62 lone 0 61 - 0 - Peak 8105 from cnoeabs.peaks (4.11, 1.93, 32.27 ppm; 2.84 A): 2 out of 56 assignments used, quality = 0.59: * HA GLN 62 + HB2 LYS 65 OK 36 100 - 36 - 8104=15, 8104/1.8=11...(4) HA GLN 62 + HB3 LYS 65 OK 36 100 - 36 - 8104=15, 8104/1.8=11...(4) HA GLN 62 - HB2 LYS 39 lone 7 79 - 9 - 8104=3, 10935/2.9=3, 8104/1.8=2 HA LYS 43 - HB3 LYS 40 poor 7 40 - 17 - ~8063=4, ~2055=3...(5) HA GLN 62 - HB3 LYS 115 lone 6 98 - 6 - 8104=2, 8104/1.8=2 HA GLN 62 - HB2 LYS 115 lone 5 92 - 6 - 8104=2, 8104/1.8=2 HA LYS 43 - HB2 LYS 39 lone 5 48 - 9 - ~8061=4, ~2056=3 HA MET 1 - HB2 LYS 39 lone 4 59 - 7 - 10721/4.3=4, 10935/2.9=3 HA GLN 62 - HB3 LYS 39 lone 4 42 - 9 - 10935/2.9=3, 8104=3, 8104/1.8=2 HA GLN 62 - HB2 LYS 123 lone 3 100 - 3 - 8104=1 HA MET 1 - HB3 LYS 40 lone 2 51 - 5 - 10721/4.0=4 HA LYS 43 - HB3 LYS 39 lone 2 24 - 10 - ~8061=4, ~2056=3, 3.0/247=1 HA MET 1 - HB3 LYS 39 lone 2 30 - 7 - 10721/4.3=4, 10935/2.9=3 HA ASP 110 - HB2 LYS 65 lone 2 92 - 2 - HA ASP 110 - HB3 LYS 65 lone 2 92 - 2 - HB3 SER 72 - HB2 LYS 123 lone 1 69 - 2 - HB2 SER 72 - HB2 LYS 123 lone 1 69 - 2 - HA LYS 43 - HB2 LYS 123 lone 1 69 - 2 - HA ASP 110 - HB3 LYS 115 lone 1 88 - 1 - HA LYS 20 - HB3 LYS 40 lone 1 38 - 2 - HA ASP 110 - HB2 LYS 115 lone 1 80 - 1 - HA LYS 20 - HB2 LYS 39 lone 1 44 - 2 - ~2004=1 HB3 SER 72 - HB2 LYS 39 lone 1 48 - 2 - HB2 SER 72 - HB2 LYS 39 lone 1 48 - 2 - HA LYS 43 - HB2 LYS 65 lone 1 70 - 1 - HA LYS 43 - HB3 LYS 65 lone 1 69 - 1 - HA MET 1 - HB2 LYS 123 lone 1 83 - 1 - HB3 SER 72 - HB2 LYS 65 lone 1 70 - 1 - HB2 SER 72 - HB2 LYS 65 lone 1 70 - 1 - HB2 SER 72 - HB3 LYS 65 lone 1 69 - 1 - HB3 SER 72 - HB3 LYS 65 lone 1 69 - 1 - HA MET 1 - HB2 LYS 65 lone 1 84 - 1 - HA MET 1 - HB3 LYS 65 lone 1 84 - 1 - HA LYS 20 - HB2 LYS 65 lone 1 65 - 1 - HA LYS 20 - HB3 LYS 65 lone 1 65 - 1 - HA GLN 62 - HB3 LYS 40 lone 0 69 - 1 - HA ASP 110 - HB2 LYS 123 lone 0 91 - 0 - HA LYS 20 - HB3 LYS 39 lone 0 22 - 2 - ~2004=1 HA ASP 110 - HB2 LYS 39 lone 0 67 - 1 - HB3 SER 72 - HB3 LYS 39 lone 0 24 - 2 - HB2 SER 72 - HB3 LYS 39 lone 0 24 - 2 - HA LYS 43 - HB3 LYS 115 lone 0 66 - 0 - HA LYS 20 - HB2 LYS 123 lone 0 65 - 0 - HB3 SER 72 - HB3 LYS 115 lone 0 66 - 0 - HB2 SER 72 - HB3 LYS 115 lone 0 66 - 0 - HA LYS 43 - HB2 LYS 115 lone 0 59 - 0 - HA MET 1 - HB3 LYS 115 lone 0 80 - 0 - HA LYS 20 - HB3 LYS 115 lone 0 62 - 0 - HB3 SER 72 - HB2 LYS 115 lone 0 59 - 0 - HB2 SER 72 - HB2 LYS 115 lone 0 59 - 0 - HA MET 1 - HB2 LYS 115 lone 0 72 - 0 - HA LYS 20 - HB2 LYS 115 lone 0 55 - 0 - HA ASP 110 - HB3 LYS 39 lone 0 35 - 0 - HA ASP 110 - HB3 LYS 40 lone 0 58 - 0 - HB2 SER 72 - HB3 LYS 40 lone 0 40 - 0 - HB3 SER 72 - HB3 LYS 40 lone 0 40 - 0 - Peak 8106 from cnoeabs.peaks (1.93, 4.11, 58.30 ppm; 3.00 A): 2 out of 20 assignments used, quality = 0.59: * HB3 LYS 65 + HA GLN 62 OK 36 100 - 36 - 8107=13, 4.7/8108=10...(4) HB2 LYS 65 + HA GLN 62 OK 36 100 - 36 - 8107=13, 4.7/8108=10...(4) HB2 LYS 39 - HA GLN 62 lone 8 100 - 8 - 2.9/10935=4, 8107=3 HB3 LYS 39 - HA GLN 62 lone 6 77 - 8 - 2.9/10935=4, 1.8/8107=2, 8105=1 HB3 LYS 115 - HA GLN 62 lone 6 100 - 6 - 8107=2, 1.8/8107=1 HB2 LYS 115 - HA GLN 62 lone 6 99 - 6 - 8107=2, 1.8/8107=1 HB2 LYS 123 - HA GLN 62 lone 3 100 - 3 - 8107=1 HB3 LYS 123 - HA GLN 62 lone 1 61 - 2 - HB2 LEU 127 - HA GLN 62 lone 1 100 - 1 - HB2 LEU 81 - HA GLN 62 lone 0 81 - 1 - HB3 LYS 40 - HA GLN 62 lone 0 87 - 1 - HB2 LEU 70 - HA GLN 62 lone 0 94 - 0 - HB VAL 104 - HA GLN 62 lone 0 84 - 0 - HB3 LYS 17 - HA GLN 62 lone 0 90 - 0 - HG2 MET 121 - HA GLN 62 lone 0 73 - 0 - HB3 MET 42 - HA GLN 62 lone 0 70 - 0 - HB3 GLU 41 - HA GLN 62 lone 0 73 - 0 - HB2 GLU 41 - HA GLN 62 lone 0 70 - 0 - HB ILE 15 - HA GLN 62 lone 0 65 - 0 - HB3 GLU 52 - HA GLN 62 lone 0 61 - 0 - Peak 8107 from cnoeabs.peaks (4.11, 1.93, 32.27 ppm; 2.84 A): 2 out of 56 assignments used, quality = 0.59: * HA GLN 62 + HB3 LYS 65 OK 36 100 - 36 - 8104=15, 8104/1.8=11...(4) HA GLN 62 + HB2 LYS 65 OK 36 100 - 36 - 8104=15, 8104/1.8=11...(4) HA GLN 62 - HB2 LYS 39 lone 7 79 - 9 - 8104=3, 10935/2.9=3, 8104/1.8=2 HA LYS 43 - HB3 LYS 40 poor 6 37 - 16 - ~8063=4, ~2055=3...(5) HA GLN 62 - HB3 LYS 115 lone 6 98 - 6 - 8104=2, 8104/1.8=2 HA GLN 62 - HB2 LYS 115 lone 5 94 - 6 - 8104=2, 8104/1.8=2 HA LYS 43 - HB2 LYS 39 lone 4 47 - 9 - ~8061=4, ~2056=3 HA MET 1 - HB2 LYS 39 lone 4 59 - 7 - 10721/4.3=4, 10935/2.9=3 HA GLN 62 - HB3 LYS 39 lone 3 38 - 9 - 10935/2.9=3, 8104=3, 8104/1.8=2 HA GLN 62 - HB2 LYS 123 lone 3 100 - 3 - 8104=1 HA MET 1 - HB3 LYS 40 lone 2 47 - 5 - 10721/4.0=4 HA LYS 43 - HB3 LYS 39 lone 2 21 - 9 - ~8061=4, ~2056=3, 3.0/247=1 HA MET 1 - HB3 LYS 39 lone 2 27 - 7 - 10721/4.3=4, 10935/2.9=3 HA ASP 110 - HB3 LYS 65 lone 2 92 - 2 - HA ASP 110 - HB2 LYS 65 lone 2 92 - 2 - HB2 SER 72 - HB2 LYS 123 lone 1 68 - 2 - HB3 SER 72 - HB2 LYS 123 lone 1 68 - 2 - HA LYS 43 - HB2 LYS 123 lone 1 68 - 2 - HA ASP 110 - HB3 LYS 115 lone 1 88 - 1 - HA ASP 110 - HB2 LYS 115 lone 1 83 - 1 - HA LYS 20 - HB2 LYS 39 lone 1 44 - 2 - ~2004=1 HB3 SER 72 - HB2 LYS 39 lone 1 47 - 2 - HB2 SER 72 - HB2 LYS 39 lone 1 47 - 2 - HA LYS 20 - HB3 LYS 40 lone 1 35 - 2 - HA LYS 43 - HB3 LYS 65 lone 1 70 - 1 - HA LYS 43 - HB2 LYS 65 lone 1 69 - 1 - HA MET 1 - HB2 LYS 123 lone 1 83 - 1 - HB2 SER 72 - HB2 LYS 65 lone 1 69 - 1 - HB3 SER 72 - HB2 LYS 65 lone 1 69 - 1 - HB2 SER 72 - HB3 LYS 65 lone 1 70 - 1 - HB3 SER 72 - HB3 LYS 65 lone 1 70 - 1 - HA MET 1 - HB3 LYS 65 lone 1 84 - 1 - HA MET 1 - HB2 LYS 65 lone 1 84 - 1 - HA LYS 20 - HB3 LYS 65 lone 1 65 - 1 - HA LYS 20 - HB2 LYS 65 lone 1 65 - 1 - HA ASP 110 - HB2 LYS 123 lone 0 91 - 0 - HA GLN 62 - HB3 LYS 40 lone 0 64 - 1 - HA ASP 110 - HB2 LYS 39 lone 0 67 - 1 - HA LYS 20 - HB3 LYS 39 lone 0 20 - 2 - ~2004=1 HB3 SER 72 - HB3 LYS 39 lone 0 21 - 2 - HB2 SER 72 - HB3 LYS 39 lone 0 21 - 2 - HA LYS 43 - HB3 LYS 115 lone 0 65 - 0 - HA LYS 20 - HB2 LYS 123 lone 0 64 - 0 - HA LYS 43 - HB2 LYS 115 lone 0 61 - 0 - HB3 SER 72 - HB3 LYS 115 lone 0 65 - 0 - HB2 SER 72 - HB3 LYS 115 lone 0 65 - 0 - HA MET 1 - HB3 LYS 115 lone 0 79 - 0 - HB2 SER 72 - HB2 LYS 115 lone 0 61 - 0 - HB3 SER 72 - HB2 LYS 115 lone 0 61 - 0 - HA LYS 20 - HB3 LYS 115 lone 0 61 - 0 - HA MET 1 - HB2 LYS 115 lone 0 74 - 0 - HA LYS 20 - HB2 LYS 115 lone 0 57 - 0 - HA ASP 110 - HB3 LYS 39 lone 0 31 - 0 - HA ASP 110 - HB3 LYS 40 lone 0 54 - 0 - HB3 SER 72 - HB3 LYS 40 lone 0 37 - 0 - HB2 SER 72 - HB3 LYS 40 lone 0 37 - 0 - Peak 8108 from cnoeabs.peaks (7.80, 4.11, 58.30 ppm; 3.82 A): 1 out of 2 assignments used, quality = 0.60: * H GLU 66 + HA GLN 62 OK 60 100 - 60 - 2093=42, 4.6/8103=12...(5) H LYS 96 - HA GLN 62 lone 1 70 - 2 - Peak 8109 from cnoeabs.peaks (8.04, 4.13, 56.64 ppm; 5.48 A): 4 out of 9 assignments used, quality = 0.79: * H LYS 65 + HA LEU 63 OK 63 100 - 63 - 4.6/8110=32, 1907/3.6=25...(8) H ARG 118 + HA LEU 63 OK 23 87 - 27 - 1907/3.6=6, 2080/2.9=5...(9) H LEU 90 + HA LEU 63 OK 16 94 - 17 - 4.4/11252=4, 1907/3.6=3...(7) H THR 9 + HA LEU 63 OK 13 98 - 13 - 1907/3.6=4, 2080/2.9=4...(4) H ASP 109 - HA LEU 63 lone 8 100 - 8 - 2080/2.9=2, 1907/3.6=1 H VAL 22 - HA LEU 63 lone 8 100 - 7 - 2080/2.9=3, 1907/3.6=2 H GLN 122 - HA LEU 63 lone 6 73 - 9 - 398/8110=2 H SER 72 - HA LEU 63 lone 5 77 - 6 - 1907/3.6=2, 2080/2.9=1 H GLY 26 - HA LEU 63 lone 1 65 - 2 - Peak 8110 from cnoeabs.peaks (7.80, 4.13, 56.64 ppm; 4.31 A): 1 out of 2 assignments used, quality = 0.70: * H GLU 66 + HA LEU 63 OK 70 100 - 71 - 2084/3.6=23, 2092=22...(12) H LYS 96 - HA LEU 63 lone 4 70 - 6 - 2084/3.6=2, 607/3.0=1 Peak 8111 from cnoeabs.peaks (2.04, 4.13, 56.64 ppm; 4.00 A): 4 out of 17 assignments used, quality = 0.81: * HB2 GLU 66 + HA LEU 63 OK 59 100 - 59 - 1.8/8113=23, 3.7/8110=22...(10) HB3 MET 67 + HA LEU 63 OK 29 94 - 31 - 4.0/2098=5, 4933/3.0=5...(10) HB3 GLN 85 + HA LEU 63 OK 23 100 - 23 - 1.8/11045=4, 3.0/11046=3...(11) HB VAL 117 + HA LEU 63 OK 17 97 - 17 - 2.1/4714=4, 2.1/11252=3...(7) HB2 GLU 89 - HA LEU 63 lone 6 100 - 6 - 4.7/8109=2, 4889/8110=1 HB3 GLU 89 - HA LEU 63 lone 6 100 - 6 - 4.7/8109=2, 4889/8110=1 HB3 GLU 87 - HA LEU 63 lone 5 100 - 5 - 1.8/8113=2 HB2 GLU 92 - HA LEU 63 lone 4 84 - 5 - 1.8/8113=1 HB3 GLU 98 - HA LEU 63 lone 3 84 - 4 - HB3 GLN 100 - HA LEU 63 lone 2 96 - 2 - HB2 MET 1 - HA LEU 63 lone 1 92 - 2 - HG3 GLU 52 - HA LEU 63 lone 1 99 - 1 - HB2 GLU 47 - HA LEU 63 lone 1 73 - 1 - HB3 GLU 111 - HA LEU 63 lone 1 70 - 1 - HB2 GLN 25 - HA LEU 63 lone 1 61 - 1 - HB2 GLU 48 - HA LEU 63 lone 1 100 - 1 - HB3 GLU 48 - HA LEU 63 lone 1 100 - 1 - Peak 8112 from cnoeabs.peaks (4.13, 2.04, 29.26 ppm; 2.95 A): 2 out of 66 assignments used, quality = 0.97: HA GLU 89 + HB3 GLU 89 OK 81 84 - 97 - 3.0=94, 5747/1.8=9...(25) HA GLU 89 + HB2 GLU 89 OK 81 84 - 97 - 3.0=94, 5747/1.8=9...(25) ! HA LEU 63 - HB2 GLU 66 OK 38 100 - 38 - 8113/1.8=13, 8110/3.7=11...(6) HA GLN 122 - HB2 GLU 66 OK 13 100 - 13 - 8114/1.8=2, 11069/3.0=2...(7) HA LEU 63 - HB3 GLN 85 OK 13 99 - 13 - 8111=3, 11045/1.8=2...(4) HA ARG 95 - HB2 GLU 66 OK 12 73 - 17 - 8219/3.0=2, 2092/3.7=2...(9) HA GLU 89 - HB2 GLU 66 OK 10 84 - 12 - 8114/1.8=2, 5747=2...(5) HA GLN 122 - HB3 GLN 85 lone 8 99 - 9 - 7031/3.0=2, 7031/3.0=2 HA ARG 95 - HB3 GLU 98 poor 7 33 - 22 - 8219/1.8=9, 2174/4.0=6...(5) HA VAL 22 - HB2 GLU 66 lone 6 100 - 6 - HA LEU 63 - HB2 GLU 89 lone 3 100 - 3 - HA LEU 63 - HB3 GLU 89 lone 3 100 - 3 - HA ALA 124 - HB2 GLU 66 lone 3 92 - 4 - HB2 SER 72 - HB2 GLU 66 lone 3 87 - 3 - HB3 SER 72 - HB2 GLU 66 lone 3 87 - 3 - HA GLN 122 - HB3 GLU 89 lone 2 100 - 2 - HA GLN 122 - HB2 GLU 89 lone 2 100 - 2 - HA LEU 45 - HB2 GLU 66 lone 2 81 - 3 - HA VAL 22 - HB3 GLU 89 lone 2 100 - 2 - HA VAL 22 - HB2 GLU 89 lone 2 100 - 2 - HA GLU 89 - HB3 GLN 85 lone 2 81 - 2 - HA ARG 95 - HB3 GLN 85 lone 2 71 - 2 - 8219/1.8=1 HA GLU 89 - HB3 GLU 98 lone 2 39 - 4 - 2179/4.3=1 HA LEU 63 - HB3 GLU 98 lone 1 54 - 2 - HA ARG 95 - HB3 GLU 89 lone 1 73 - 2 - HA ARG 95 - HB2 GLU 89 lone 1 73 - 2 - HA LEU 63 - HB3 GLN 100 lone 1 89 - 1 - HA ALA 124 - HB3 GLN 85 lone 1 89 - 1 - HA GLU 89 - HB3 GLN 100 lone 1 69 - 1 - HB2 SER 72 - HB3 GLN 100 lone 1 72 - 1 - HB3 SER 72 - HB3 GLN 100 lone 1 72 - 1 - HA VAL 22 - HB3 GLN 100 lone 1 89 - 1 - HA ALA 124 - HB3 GLU 89 lone 1 92 - 1 - HA ALA 124 - HB2 GLU 89 lone 1 92 - 1 - HA3 GLY 26 - HB2 GLU 66 lone 1 96 - 1 - HA MET 1 - HB2 GLU 66 lone 1 73 - 1 - HA GLN 122 - HB3 GLN 100 lone 1 89 - 1 - HA VAL 22 - HB3 GLN 85 lone 1 99 - 1 - HA ARG 95 - HB3 GLN 100 lone 1 59 - 1 - HA ALA 124 - HB3 GLN 100 lone 0 77 - 1 - HB2 SER 72 - HB3 GLU 89 lone 0 87 - 1 - HB2 SER 72 - HB2 GLU 89 lone 0 87 - 1 - HB3 SER 72 - HB2 GLU 89 lone 0 87 - 1 - HB3 SER 72 - HB3 GLU 89 lone 0 87 - 1 - HA VAL 22 - HB3 GLU 98 lone 0 53 - 1 - HA GLN 122 - HB3 GLU 98 lone 0 54 - 1 - HA ALA 124 - HB3 GLU 98 lone 0 45 - 1 - HB2 SER 72 - HB3 GLN 85 lone 0 84 - 0 - HB3 SER 72 - HB3 GLN 85 lone 0 84 - 0 - HA3 GLY 26 - HB2 GLU 89 lone 0 95 - 0 - HA3 GLY 26 - HB3 GLU 89 lone 0 95 - 0 - HA3 GLY 26 - HB3 GLN 85 lone 0 93 - 0 - HA LEU 45 - HB3 GLN 85 lone 0 78 - 0 - HA LEU 45 - HB3 GLU 98 lone 0 37 - 1 - HA LEU 45 - HB3 GLU 89 lone 0 80 - 0 - HA LEU 45 - HB2 GLU 89 lone 0 80 - 0 - HA MET 1 - HB3 GLN 85 lone 0 71 - 0 - HA MET 1 - HB3 GLU 89 lone 0 73 - 0 - HA MET 1 - HB2 GLU 89 lone 0 73 - 0 - HA3 GLY 26 - HB3 GLN 100 lone 0 81 - 0 - HA LEU 45 - HB3 GLN 100 lone 0 66 - 0 - HA MET 1 - HB3 GLN 100 lone 0 59 - 0 - HB3 SER 72 - HB3 GLU 98 lone 0 41 - 0 - HB2 SER 72 - HB3 GLU 98 lone 0 41 - 0 - HA3 GLY 26 - HB3 GLU 98 lone 0 48 - 0 - HA MET 1 - HB3 GLU 98 lone 0 33 - 0 - Peak 8113 from cnoeabs.peaks (2.09, 4.13, 56.64 ppm; 3.79 A): 1 out of 15 assignments used, quality = 0.54: * HB3 GLU 66 + HA LEU 63 OK 54 100 - 54 - 3.7/8110=20, 1.8/8111=13...(10) HB3 GLU 69 - HA LEU 63 lone 9 99 - 9 - 4895/8110=2, 8114=2 HG3 GLU 21 - HA LEU 63 lone 5 90 - 5 - HB2 GLU 87 - HA LEU 63 lone 5 100 - 5 - 10056/11527=1 HG2 GLU 21 - HA LEU 63 lone 5 84 - 5 - HB2 GLU 112 - HA LEU 63 lone 4 94 - 4 - HB3 GLU 112 - HA LEU 63 lone 4 92 - 4 - HB3 GLU 92 - HA LEU 63 lone 3 81 - 4 - HB3 MET 121 - HA LEU 63 lone 1 73 - 1 - HB2 GLU 111 - HA LEU 63 lone 1 98 - 1 - HB3 PHE 79 - HA LEU 63 lone 1 65 - 2 - HG2 GLU 52 - HA LEU 63 lone 1 97 - 1 - HB3 GLU 47 - HA LEU 63 lone 1 70 - 1 - HB2 GLU 103 - HA LEU 63 lone 1 98 - 1 - HG2 GLU 119 - HA LEU 63 lone 1 70 - 1 - Peak 8114 from cnoeabs.peaks (4.13, 2.09, 29.26 ppm; 3.52 A): 6 out of 44 assignments used, quality = 0.84: * HA LEU 63 + HB3 GLU 66 OK 55 100 - 55 - 8113=23, 8110/3.7=17...(10) HB2 SER 72 + HB3 GLU 69 OK 21 75 - 28 - 8154/2.9=8, ~8153=5...(7) HB3 SER 72 + HB3 GLU 69 OK 21 75 - 28 - 8154/2.9=8, ~8153=5...(7) HA GLN 122 + HB3 GLU 66 OK 20 100 - 20 - 11069/3.0=3, 2092/3.7=3...(8) HA ARG 95 + HB3 GLU 66 OK 16 73 - 23 - 8219/3.0=3, 2092/3.7=3...(9) HA GLU 89 + HB3 GLU 66 OK 14 84 - 17 - 11069/3.0=2, 2092/3.7=2...(5) HA LEU 63 - HB3 GLU 69 lone 9 92 - 9 - 8113=4, 8110/4895=2 HA VAL 22 - HB3 GLU 66 lone 8 100 - 8 - 11450/1.8=2, 3.2/10867=1 HA ALA 124 - HB3 GLU 66 lone 5 92 - 5 - 2098/4.1=1 HB2 SER 72 - HB3 GLU 66 lone 4 87 - 5 - HB3 SER 72 - HB3 GLU 66 lone 4 87 - 5 - HA LEU 63 - HB2 GLU 112 lone 4 84 - 5 - 8113=2, 8113/1.8=1 HA LEU 63 - HB3 GLU 112 lone 4 80 - 5 - 8113=2, 8113/1.8=1 HA LEU 45 - HB3 GLU 66 lone 4 81 - 4 - HA GLU 89 - HB3 GLU 69 lone 3 72 - 4 - HA GLN 122 - HB3 GLU 69 lone 3 92 - 3 - HA VAL 22 - HB2 GLU 112 lone 2 84 - 2 - HA VAL 22 - HB3 GLU 112 lone 2 80 - 2 - HA LEU 45 - HB3 GLU 69 lone 2 69 - 3 - 3.6/1455=1 HA VAL 22 - HB3 GLU 69 lone 2 92 - 2 - HA GLN 122 - HB2 GLU 112 lone 1 84 - 2 - HA MET 1 - HB3 GLU 66 lone 1 73 - 2 - HA GLN 122 - HB3 GLU 112 lone 1 80 - 2 - HA GLU 89 - HB2 GLU 112 lone 1 64 - 2 - HA3 GLY 26 - HB3 GLU 66 lone 1 96 - 1 - HA GLU 89 - HB3 GLU 112 lone 1 61 - 2 - HA ARG 95 - HB3 GLU 69 lone 1 63 - 2 - HA3 GLY 26 - HB3 GLU 69 lone 1 85 - 1 - HA ALA 124 - HB3 GLU 69 lone 1 81 - 1 - HA3 GLY 26 - HB2 GLU 112 lone 1 77 - 1 - HA3 GLY 26 - HB3 GLU 112 lone 1 73 - 1 - HB2 SER 72 - HB2 GLU 112 lone 1 67 - 1 - HB3 SER 72 - HB2 GLU 112 lone 1 67 - 1 - HB2 SER 72 - HB3 GLU 112 lone 1 63 - 1 - HB3 SER 72 - HB3 GLU 112 lone 1 63 - 1 - HA ARG 95 - HB2 GLU 112 lone 0 55 - 1 - HA ARG 95 - HB3 GLU 112 lone 0 52 - 1 - HA LEU 45 - HB2 GLU 112 lone 0 61 - 1 - HA MET 1 - HB3 GLU 69 lone 0 63 - 1 - HA LEU 45 - HB3 GLU 112 lone 0 58 - 1 - HA ALA 124 - HB2 GLU 112 lone 0 72 - 0 - HA ALA 124 - HB3 GLU 112 lone 0 68 - 0 - HA MET 1 - HB2 GLU 112 lone 0 55 - 0 - HA MET 1 - HB3 GLU 112 lone 0 52 - 0 - Peak 8116 from cnoeabs.peaks (7.80, 3.91, 57.78 ppm; 6.20 A): 2 out of 4 assignments used, quality = 0.91: * H GLU 66 + HA LEU 64 OK 87 100 - 87 - 2084/2.9=44, 1908/3.6=41...(12) H GLU 66 + HA GLU 128 OK 28 89 - 31 - 2090=9, 4.7/8117=8...(8) H LYS 96 - HA GLU 128 poor 9 56 - 17 - ~2263=3, ~2262=3...(6) H LYS 96 - HA LEU 64 lone 6 70 - 9 - 2084/2.9=3, 1908/3.6=1 Peak 8117 from cnoeabs.peaks (8.39, 3.91, 57.78 ppm; 5.08 A): 3 out of 10 assignments used, quality = 0.87: * H MET 67 + HA LEU 64 OK 77 100 - 78 - 2097=20, 2089/3.6=19...(15) H MET 67 + HA GLU 128 OK 35 89 - 39 - 2097=9, 4.0/8121=7...(11) H LYS 123 + HA LEU 64 OK 13 98 - 14 - 2089/3.6=8, 1909/8116=1 H ASP 36 - HA LEU 64 lone 9 98 - 9 - 2089/3.6=2, 199=1, 4948/9729=1 H PHE 79 - HA LEU 64 poor 6 57 - 11 - 6.5/9688=7, 2089/3.6=2 H LYS 123 - HA GLU 128 lone 4 85 - 4 - H PHE 79 - HA GLU 128 lone 3 45 - 7 - 6.5/9688=5 H ASP 36 - HA GLU 128 lone 3 85 - 3 - H ASP 31 - HA LEU 64 lone 2 70 - 4 - H ASP 31 - HA GLU 128 lone 1 56 - 2 - Peak 8118 from cnoeabs.peaks (2.20, 3.91, 57.78 ppm; 4.30 A): 3 out of 18 assignments used, quality = 0.73: * HB2 MET 67 + HA LEU 64 OK 54 100 - 54 - 1.8/8121=16, 8119=13...(7) HB2 MET 67 + HA GLU 128 OK 26 89 - 29 - 1.8/8121=8, 8119=7...(7) HG3 GLU 66 + HA LEU 64 OK 22 73 - 31 - 4.9/8116=9, 5.0/8117=8...(7) HG3 GLU 66 - HA GLU 128 poor 7 59 - 11 - 5.0/8117=4, 4.9/8116=3...(4) HB2 GLU 69 - HA LEU 64 lone 6 100 - 7 - 5003/2.9=1, 416/8122=1 HB2 GLN 100 - HA LEU 64 lone 6 97 - 6 - 1.8/8120=1 HB2 MET 42 - HA LEU 64 lone 4 87 - 5 - 3.9/2051=2, ~8082=1 HB2 GLU 69 - HA GLU 128 lone 4 89 - 4 - HB2 MET 42 - HA GLU 128 lone 2 72 - 3 - 3.9/2051=1 HB3 MET 1 - HA LEU 64 lone 2 99 - 2 - HG3 GLN 28 - HA LEU 64 lone 2 100 - 2 - HB3 MET 1 - HA GLU 128 lone 2 86 - 2 - HB2 GLN 83 - HA LEU 64 lone 2 94 - 2 - HB2 GLN 100 - HA GLU 128 lone 1 83 - 2 - HG2 GLU 48 - HA LEU 64 lone 1 100 - 1 - HG2 GLU 48 - HA GLU 128 lone 1 89 - 1 - HG3 GLN 28 - HA GLU 128 lone 1 89 - 1 - HB2 GLN 83 - HA GLU 128 lone 1 79 - 1 - Peak 8119 from cnoeabs.peaks (3.91, 2.20, 33.44 ppm; 4.71 A): 4 out of 15 assignments used, quality = 0.89: * HA LEU 64 + HB2 MET 67 OK 62 100 - 62 - 8118=19, 8121/1.8=18...(7) HA LEU 38 + HB2 MET 67 OK 48 99 - 48 - 9729/4.3=12, 3.8/9704=11...(7) HA GLU 128 + HB2 MET 67 OK 34 100 - 34 - 8118=9, 8121/1.8=9...(7) HB2 SER 35 + HB2 MET 67 OK 15 87 - 17 - 9729/4.3=4, 8121/1.8=4...(6) HA ARG 118 - HB2 MET 67 lone 8 81 - 9 - 8121/1.8=2, 2097/4.0=2...(4) HA LEU 38 - HB3 MET 1 poor 6 59 - 11 - 4.3/11231=5, 3.8/9704=3...(4) HA LEU 38 - HG3 GLN 28 lone 2 62 - 4 - 9288/9705=1 HA LEU 64 - HB3 MET 1 lone 2 61 - 3 - HA GLU 128 - HB3 MET 1 lone 2 60 - 3 - HA LEU 64 - HG3 GLN 28 lone 2 63 - 3 - HB2 SER 35 - HB3 MET 1 lone 1 46 - 2 - HA GLU 128 - HG3 GLN 28 lone 1 63 - 1 - HA ARG 118 - HG3 GLN 28 lone 1 44 - 1 - HB2 SER 35 - HG3 GLN 28 lone 1 49 - 1 - HA ARG 118 - HB3 MET 1 lone 1 42 - 1 - Peak 8120 from cnoeabs.peaks (2.05, 3.91, 57.78 ppm; 3.72 A): 4 out of 34 assignments used, quality = 0.77: * HB3 MET 67 + HA LEU 64 OK 47 100 - 47 - 8121=13, 1.8/8118=11...(9) HB2 GLU 66 + HA LEU 64 OK 27 94 - 29 - 4.1/2097=8, 3.7/8116=7...(9) HB VAL 117 + HA LEU 64 OK 27 100 - 27 - 2.1/10961=5, ~10520=5...(9) HB3 MET 67 + HA GLU 128 OK 20 89 - 22 - 8121=7, 1.8/8118=5...(6) HB2 GLU 66 - HA GLU 128 lone 8 79 - 10 - 4.1/2097=4, 3.7/8116=2...(4) HB2 GLU 92 - HA GLU 128 lone 6 87 - 7 - ~8202=1, 5853/2.9=1 HB3 GLN 100 - HA LEU 64 lone 5 100 - 5 - 1.8/8118=1 HB2 GLU 89 - HA GLU 128 lone 3 79 - 4 - ~2264=1, ~8178=1 HB3 GLU 89 - HA GLU 128 lone 3 79 - 4 - ~2264=1, ~8178=1 HB3 GLN 85 - HA LEU 64 lone 3 94 - 3 - HB3 GLU 89 - HA LEU 64 lone 2 94 - 2 - HB2 GLU 89 - HA LEU 64 lone 2 94 - 2 - HB2 GLU 92 - HA LEU 64 lone 1 99 - 1 - HB3 GLU 87 - HA LEU 64 lone 1 94 - 1 - HB3 GLU 98 - HA LEU 64 lone 1 99 - 1 - HB3 GLN 100 - HA GLU 128 lone 1 89 - 1 - HB2 GLN 28 - HA LEU 64 lone 1 84 - 1 - HB3 GLN 85 - HA GLU 128 lone 1 79 - 1 - HB2 MET 1 - HA LEU 64 lone 1 61 - 1 - HB3 GLU 48 - HA LEU 64 lone 1 94 - 1 - HB2 GLU 48 - HA LEU 64 lone 1 94 - 1 - HB3 GLU 87 - HA GLU 128 lone 1 79 - 1 - HB VAL 117 - HA GLU 128 lone 1 89 - 1 - HB3 GLU 98 - HA GLU 128 lone 1 87 - 1 - HB2 GLU 47 - HA LEU 64 lone 1 97 - 1 - HG3 GLU 52 - HA LEU 64 lone 1 99 - 1 - HB2 GLU 13 - HA LEU 64 lone 1 77 - 1 - HB2 GLU 48 - HA GLU 128 lone 0 79 - 1 - HB3 GLU 48 - HA GLU 128 lone 0 79 - 1 - HB2 GLU 47 - HA GLU 128 lone 0 83 - 1 - HG3 GLU 52 - HA GLU 128 lone 0 86 - 1 - HB2 GLU 13 - HA GLU 128 lone 0 63 - 1 - HB2 GLN 28 - HA GLU 128 lone 0 69 - 1 - HB2 MET 1 - HA GLU 128 lone 0 49 - 1 - Peak 8121 from cnoeabs.peaks (3.91, 2.05, 33.44 ppm; 4.34 A): 4 out of 5 assignments used, quality = 0.82: * HA LEU 64 + HB3 MET 67 OK 57 100 - 57 - 8118/1.8=15, 8120=14...(9) HA LEU 38 + HB3 MET 67 OK 34 99 - 34 - 9729/4.3=11, 8119/1.8=9...(6) HA GLU 128 + HB3 MET 67 OK 28 100 - 28 - 8118/1.8=7, 8120=6...(7) HB2 SER 35 + HB3 MET 67 OK 11 87 - 13 - 9729/4.3=4, 8119/1.8=3...(4) HA ARG 118 - HB3 MET 67 lone 6 81 - 8 - 8119/1.8=1, 2097/4.0=1...(4) Peak 8122 from cnoeabs.peaks (8.47, 3.91, 57.78 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.90: * H LEU 68 + HA LEU 64 OK 83 100 - 83 - 4.8/11053=24, 2103=22...(16) H LEU 68 + HA GLU 128 OK 39 89 - 44 - 2103=11, 4.6/8117=8...(10) Peak 8123 from cnoeabs.peaks (8.39, 3.79, 60.23 ppm; 6.20 A): 4 out of 5 assignments used, quality = 0.92: * H MET 67 + HA LYS 65 OK 84 100 - 84 - 408/3.6=47, 4.6/8124=37...(9) H LYS 123 + HA LYS 65 OK 35 98 - 36 - 2089/3.0=11, 1909/3.6=9...(9) H ASP 36 + HA LYS 65 OK 10 98 - 11 - 1909/3.6=3, 2089/3.0=2 H PHE 79 + HA LYS 65 OK 10 57 - 18 - 6.5/11054=13, 2089/3.0=2 H ASP 31 - HA LYS 65 lone 4 70 - 5 - Peak 8124 from cnoeabs.peaks (8.47, 3.79, 60.23 ppm; 4.95 A): 1 out of 1 assignment used, quality = 0.69: * H LEU 68 + HA LYS 65 OK 69 100 - 69 - 2094/3.6=29, 4.0/8127=21...(11) Peak 8125 from cnoeabs.peaks (1.75, 3.79, 60.23 ppm; 3.74 A): 4 out of 12 assignments used, quality = 0.78: * HB2 LEU 68 + HA LYS 65 OK 49 100 - 49 - 1.8/8127=21, 4.0/8124=16...(10) HG2 ARG 118 + HA LYS 65 OK 29 65 - 45 - 3.0/10539=9, 3.0/10540=8...(13) HB2 LEU 114 + HA LYS 65 OK 24 87 - 28 - 1.8/8127=9, 4.3/8129=6...(8) HD3 LYS 123 + HA LYS 65 OK 20 100 - 20 - 7129/3.0=3, 7129/3.0=3...(7) HB3 LYS 94 - HA LYS 65 lone 5 87 - 6 - 3.0/8127=2, 3.6/4797=1 HB2 LEU 80 - HA LYS 65 lone 5 98 - 5 - HB3 LEU 82 - HA LYS 65 lone 3 90 - 4 - HG3 ARG 105 - HA LYS 65 lone 3 99 - 3 - HB3 LYS 49 - HA LYS 65 lone 3 96 - 3 - HG2 LYS 17 - HA LYS 65 lone 1 96 - 1 - HB2 LEU 55 - HA LYS 65 lone 1 81 - 1 - HG12 ILE 18 - HA LYS 65 lone 1 65 - 1 - Peak 8126 from cnoeabs.peaks (3.79, 1.75, 40.88 ppm; 3.72 A): 1 out of 1 assignment used, quality = 0.77: HA LEU 68 + HB2 LEU 68 OK 77 77 - 100 - 2.9=100 Reference assignment not found: HA LYS 65 - HB2 LEU 68 Peak 8127 from cnoeabs.peaks (1.38, 3.79, 60.23 ppm; 3.87 A): 2 out of 7 assignments used, quality = 0.56: * HB3 LEU 68 + HA LYS 65 OK 45 100 - 45 - 4.0/8124=17, 1.8/8125=13...(8) HB3 LEU 114 + HA LYS 65 OK 19 73 - 26 - 1.8/8125=7, 4.3/8129=6...(8) HG2 LYS 94 - HA LYS 65 lone 5 87 - 6 - 3.0/4797=1, 3.0/4797=1 HG3 LYS 16 - HA LYS 65 lone 1 77 - 2 - HG2 LYS 40 - HA LYS 65 lone 1 100 - 1 - HG LEU 14 - HA LYS 65 lone 1 100 - 1 - HG3 LYS 43 - HA LYS 65 lone 1 90 - 1 - Peak 8128 from cnoeabs.peaks (3.79, 1.38, 40.88 ppm; 3.71 A): 1 out of 1 assignment used, quality = 0.77: HA LEU 68 + HB3 LEU 68 OK 77 77 - 100 - 2.9=100 Reference assignment not found: HA LYS 65 - HB3 LEU 68 Peak 8129 from cnoeabs.peaks (7.63, 3.79, 60.23 ppm; 3.55 A): 3 out of 10 assignments used, quality = 0.75: * H GLU 69 + HA LYS 65 OK 38 100 - 38 - 4.6/8124=12, 4.6/8127=10...(8) H LEU 64 + HA LYS 65 OK 37 100 - 37 - 2084/3.6=15, 1907/3.0=14...(8) H LYS 115 + HA LYS 65 OK 35 92 - 39 - 1753/3.9=5, 4.3/8127=4...(15) H ALA 46 - HA LYS 65 lone 5 92 - 5 - H GLN 100 - HA LYS 65 lone 4 99 - 4 - HE21 GLN 85 - HA LYS 65 lone 4 100 - 4 - H ASP 34 - HA LYS 65 lone 2 90 - 2 - HD21 ASN 50 - HA LYS 65 lone 1 98 - 1 - H LEU 74 - HA LYS 65 lone 1 65 - 2 - HD21 ASN 10 - HA LYS 65 lone 0 81 - 1 - Peak 8131 from cnoeabs.peaks (7.63, 4.03, 59.12 ppm; 3.64 A): 5 out of 40 assignments used, quality = 0.82: * H GLU 69 + HA GLU 66 OK 49 100 - 49 - 2107=18, 4.0/8133=8...(15) H LEU 64 + HA GLU 66 OK 38 100 - 38 - 2084/2.9=18, ~8116=5...(10) H GLU 69 + HA LYS 123 OK 21 95 - 23 - 2107=8, 2109/3.6=2...(7) H GLU 69 + HA GLU 92 OK 18 87 - 21 - 2107=7, 4.0/8133=4...(7) HE21 GLN 85 + HA GLU 66 OK 11 100 - 11 - 3.5/10608=2, 3.5/10608=2 H ALA 46 - HA GLU 66 lone 9 92 - 10 - 2107=3, 2106/3.6=1 H LYS 115 - HA GLU 66 lone 7 92 - 7 - 2091/2.9=1 H GLN 100 - HA GLU 66 lone 6 99 - 6 - 4.0/8133=1, 2099/3.6=1 H ALA 46 - HA LYS 123 lone 5 84 - 5 - 2107=1 H ASP 34 - HA GLU 66 lone 4 90 - 5 - 9318/3.7=1 H LYS 115 - HA LYS 123 lone 4 84 - 4 - HE21 GLN 85 - HA LYS 123 lone 4 94 - 4 - H GLN 100 - HA GLU 92 lone 3 85 - 4 - H GLU 69 - HA GLU 13 lone 3 96 - 3 - 2107=1 H ALA 46 - HA GLU 92 lone 3 75 - 4 - H LEU 64 - HA LYS 123 lone 2 95 - 3 - H LYS 115 - HA GLU 13 lone 2 85 - 3 - 11179/4.8=1 H LEU 64 - HA GLU 92 lone 2 87 - 3 - H GLN 100 - HA GLU 13 lone 2 95 - 2 - HD21 ASN 50 - HA GLU 66 lone 2 98 - 2 - H LEU 64 - HA GLU 13 lone 1 96 - 1 - H LEU 74 - HA GLU 66 lone 1 65 - 2 - H ALA 46 - HA GLU 13 lone 1 85 - 1 - H LEU 74 - HA GLU 13 lone 1 59 - 2 - H LYS 115 - HA GLU 92 lone 1 75 - 1 - H GLN 100 - HA LYS 123 lone 1 93 - 1 - H ASP 34 - HA GLU 92 lone 1 72 - 1 - HE21 GLN 85 - HA GLU 13 lone 1 95 - 1 - H LEU 74 - HA LYS 123 lone 1 58 - 2 - HE21 GLN 85 - HA GLU 92 lone 1 86 - 1 - H ASP 34 - HA LYS 123 lone 1 81 - 1 - H ASP 34 - HA GLU 13 lone 1 83 - 1 - HD21 ASN 10 - HA GLU 66 lone 1 81 - 1 - HD21 ASN 50 - HA GLU 92 lone 0 83 - 1 - HD21 ASN 50 - HA LYS 123 lone 0 91 - 0 - H LEU 74 - HA GLU 92 lone 0 51 - 1 - HD21 ASN 50 - HA GLU 13 lone 0 93 - 0 - HD21 ASN 10 - HA LYS 123 lone 0 72 - 0 - HD21 ASN 10 - HA GLU 13 lone 0 74 - 0 - HD21 ASN 10 - HA GLU 92 lone 0 64 - 0 - Peak 8132 from cnoeabs.peaks (2.20, 4.03, 59.12 ppm; 3.43 A): 5 out of 36 assignments used, quality = 0.94: HG3 GLU 66 + HA GLU 66 OK 77 81 - 96 - 3.7=77, 1.8/4902=25...(18) * HB2 GLU 69 + HA GLU 66 OK 43 100 - 44 - 8133=17, 4.0/2107=7...(13) HB2 MET 67 + HA GLU 66 OK 33 100 - 33 - 1440/3.6=11, 4.6/2100=7...(9) HB2 GLU 69 + HA GLU 92 OK 21 87 - 24 - 8133=9, 1.8/8135=3...(6) HB2 GLU 69 + HA LYS 123 OK 11 95 - 11 - 8133=4, 4.0/2107=3, 1.8/8135=1 HG3 GLU 66 - HA LYS 123 poor 10 72 - 14 - 1.8/4902=3, 4908=3...(6) HB2 GLN 100 - HA GLU 66 lone 8 94 - 9 - 8133=3, 1440/3.6=2 HB2 MET 67 - HA LYS 123 lone 8 95 - 8 - 4.6/2100=2, ~4941=1 HG3 GLU 66 - HA GLU 92 poor 7 64 - 11 - 1.8/4902=2, 4908=2...(5) HB2 MET 42 - HA GLU 66 lone 5 92 - 5 - HG2 GLU 48 - HA GLU 92 lone 4 87 - 4 - HB2 GLN 100 - HA GLU 92 lone 3 77 - 3 - 8133=1 HB2 GLN 100 - HA GLU 13 lone 3 88 - 3 - 8133=1 HB3 MET 1 - HA GLU 66 lone 2 100 - 2 - HB2 GLU 69 - HA GLU 13 lone 2 96 - 2 - HG2 GLU 48 - HA GLU 13 lone 2 96 - 2 - HB2 MET 67 - HA GLU 92 lone 2 87 - 2 - HB2 MET 42 - HA LYS 123 lone 2 84 - 2 - HG2 GLU 48 - HA GLU 66 lone 1 100 - 1 - HG3 GLU 66 - HA GLU 13 lone 1 74 - 2 - HB2 GLN 100 - HA LYS 123 lone 1 86 - 1 - HB2 MET 67 - HA GLU 13 lone 1 96 - 1 - HB2 MET 42 - HA GLU 13 lone 1 85 - 1 - HB2 MET 42 - HA GLU 92 lone 1 75 - 1 - HG3 GLN 28 - HA GLU 66 lone 1 100 - 1 - HB2 GLN 83 - HA GLU 66 lone 1 90 - 1 - HB3 MET 1 - HA LYS 123 lone 1 94 - 1 - HG3 GLN 28 - HA LYS 123 lone 0 95 - 1 - HG2 GLU 48 - HA LYS 123 lone 0 95 - 0 - HG3 GLN 28 - HA GLU 13 lone 0 96 - 0 - HG3 GLN 28 - HA GLU 92 lone 0 87 - 0 - HB2 GLN 83 - HA GLU 92 lone 0 72 - 1 - HB3 MET 1 - HA GLU 92 lone 0 86 - 0 - HB3 MET 1 - HA GLU 13 lone 0 95 - 0 - HB2 GLN 83 - HA LYS 123 lone 0 81 - 0 - HB2 GLN 83 - HA GLU 13 lone 0 83 - 0 - Peak 8133 from cnoeabs.peaks (4.03, 2.20, 29.14 ppm; 3.40 A): 3 out of 24 assignments used, quality = 0.54: * HA GLU 66 + HB2 GLU 69 OK 36 100 - 37 - 8132=8, 2107/4.0=7...(13) HA GLU 92 + HB2 GLU 69 OK 19 98 - 20 - 8132=4, 8135/1.8=3...(6) HA3 GLY 101 + HB2 GLN 100 OK 11 52 - 21 - ~639=9, ~642=5, ~7820=5, ~643=5 HA LYS 123 - HB2 GLU 69 lone 9 100 - 9 - 2107/4.0=3, 8132=2, 8135/1.8=1 HA GLU 66 - HB2 GLN 100 lone 6 84 - 7 - 3.6/1440=2, 8132=2 HA LYS 40 - HB2 GLU 69 lone 4 99 - 4 - HA GLU 92 - HB2 GLN 100 lone 2 80 - 3 - HA GLU 13 - HB2 GLN 100 lone 2 84 - 2 - HA GLU 87 - HB2 GLU 69 lone 2 94 - 2 - HA GLU 13 - HB2 GLU 69 lone 2 100 - 2 - HA PHE 120 - HB2 GLU 69 lone 2 99 - 2 - HA GLU 119 - HB2 GLU 69 lone 2 100 - 2 - HB3 SER 126 - HB2 GLU 69 lone 1 99 - 1 - HB2 SER 126 - HB2 GLU 69 lone 1 100 - 1 - HA LYS 123 - HB2 GLN 100 lone 1 84 - 1 - HA PHE 120 - HB2 GLN 100 lone 1 82 - 1 - HA3 GLY 101 - HB2 GLU 69 lone 1 70 - 1 - HA GLU 119 - HB2 GLN 100 lone 0 84 - 1 - HA LYS 40 - HB2 GLN 100 lone 0 82 - 1 - HA3 GLY 75 - HB2 GLU 69 lone 0 81 - 1 - HA GLU 87 - HB2 GLN 100 lone 0 74 - 1 - HB2 SER 126 - HB2 GLN 100 lone 0 83 - 0 - HB3 SER 126 - HB2 GLN 100 lone 0 82 - 0 - HA3 GLY 75 - HB2 GLN 100 lone 0 61 - 0 - Peak 8134 from cnoeabs.peaks (2.09, 4.03, 59.12 ppm; 2.74 A): 2 out of 60 assignments used, quality = 0.94: HB3 GLU 66 + HA GLU 66 OK 90 99 - 90 - 3.0=76, 3.0/4902=12...(18) HB3 GLU 92 + HA GLU 92 OK 46 51 - 90 - 3.0=76, 1.8/5854=13...(26) ! HB3 GLU 69 - HA GLU 66 OK 30 100 - 30 - 1.8/8133=8, 8135=6...(9) HB3 GLU 69 - HA GLU 92 OK 13 87 - 15 - 1.8/8133=4, 8135=3, 4.0/2107=2 HB2 GLU 87 - HA GLU 66 lone 9 99 - 9 - 5704=3, 4910/3.7=1...(4) HB3 GLU 66 - HA LYS 123 lone 9 93 - 9 - 4896=2, 7633/3.0=2...(4) HB3 GLU 92 - HA GLU 13 poor 7 59 - 12 - 1.8/5854=2, ~1084=1, 3.0/2611=1 HB3 GLU 69 - HA LYS 123 lone 7 95 - 7 - 1.8/8133=2, 4.0/2107=2, 8135=2 HB2 GLU 112 - HA GLU 66 lone 7 99 - 7 - 8135=1, 1435/2.9=1 HB3 GLU 112 - HA GLU 66 lone 7 98 - 7 - 8135=1 HG2 GLU 119 - HA GLU 92 lone 6 67 - 9 - 1.8/6932=2, 6926=1 HB3 GLU 66 - HA GLU 92 lone 6 85 - 7 - 4896=2, 3.0/4908=1, 3.0/4902=1 HB2 GLU 103 - HA GLU 92 lone 4 87 - 5 - 1.8/8202=1 HB3 GLU 92 - HA GLU 66 lone 4 65 - 7 - HB3 MET 121 - HA LYS 123 lone 4 78 - 6 - 4.6/2231=3 HB2 GLU 87 - HA GLU 92 lone 2 84 - 2 - HB2 LYS 94 - HA GLU 92 lone 2 47 - 4 - 4.4/2159=3 HB2 GLU 111 - HA GLU 92 lone 2 75 - 3 - HB3 MET 121 - HA GLU 66 lone 2 87 - 2 - HB2 GLU 111 - HA GLU 66 lone 2 92 - 2 - HB2 LYS 94 - HA GLU 66 lone 2 61 - 2 - 4.4/2159=2 HB3 GLU 69 - HA GLU 13 lone 1 96 - 1 - HB2 GLU 112 - HA LYS 123 lone 1 92 - 1 - HB3 GLU 66 - HA GLU 13 lone 1 95 - 1 - HB2 GLU 87 - HA GLU 13 lone 1 94 - 1 - HB3 GLU 112 - HA LYS 123 lone 1 91 - 1 - HB3 PHE 79 - HA GLU 92 lone 1 64 - 2 - HB3 MET 121 - HA GLU 13 lone 1 80 - 1 - HB2 GLU 103 - HA GLU 66 lone 1 100 - 1 - HB2 GLU 87 - HA LYS 123 lone 1 92 - 1 - HB2 GLU 112 - HA GLU 92 lone 1 84 - 1 - HG2 GLU 119 - HA LYS 123 lone 1 75 - 1 - HB2 LYS 94 - HA LYS 123 lone 1 54 - 2 - HB3 GLU 112 - HA GLU 92 lone 1 83 - 1 - HG2 GLU 119 - HA GLU 66 lone 1 84 - 1 - HB2 LYS 94 - HA GLU 13 lone 1 55 - 1 - HG2 GLU 52 - HA GLU 66 lone 1 90 - 1 - HG3 GLU 21 - HA GLU 66 lone 1 77 - 1 - HB2 GLU 103 - HA LYS 123 lone 0 95 - 1 - HG2 GLU 119 - HA GLU 13 lone 1 77 - 1 - HB3 PHE 79 - HA GLU 66 lone 0 81 - 1 - HB3 MET 121 - HA GLU 92 lone 0 70 - 1 - HB3 GLU 112 - HA GLU 13 lone 0 93 - 0 - HG2 GLU 21 - HA GLU 66 lone 0 70 - 1 - HB2 GLU 103 - HA GLU 13 lone 0 96 - 0 - HB3 GLU 92 - HA LYS 123 lone 0 58 - 1 - HB2 GLU 112 - HA GLU 13 lone 0 94 - 0 - HB2 GLU 111 - HA LYS 123 lone 0 84 - 0 - HB3 PHE 79 - HA LYS 123 lone 0 72 - 0 - HB2 GLU 111 - HA GLU 13 lone 0 85 - 0 - HB3 PHE 79 - HA GLU 13 lone 0 74 - 0 - HG2 GLU 52 - HA GLU 92 lone 0 72 - 0 - HG3 GLU 21 - HA GLU 92 lone 0 61 - 0 - HG2 GLU 21 - HA GLU 92 lone 0 54 - 0 - HG2 GLU 52 - HA LYS 123 lone 0 81 - 0 - HG3 GLU 21 - HA LYS 123 lone 0 69 - 0 - HG2 GLU 52 - HA GLU 13 lone 0 83 - 0 - HG2 GLU 21 - HA LYS 123 lone 0 62 - 0 - HG3 GLU 21 - HA GLU 13 lone 0 70 - 0 - HG2 GLU 21 - HA GLU 13 lone 0 63 - 0 - Peak 8135 from cnoeabs.peaks (4.03, 2.09, 29.14 ppm; 2.80 A): 3 out of 48 assignments used, quality = 0.92: HA GLU 66 + HB3 GLU 66 OK 86 92 - 93 - 3.0=81, 4902/3.0=12...(20) * HA GLU 66 + HB3 GLU 69 OK 29 100 - 30 - 8133/1.8=8, 8134=5...(9) HA GLU 92 + HB3 GLU 69 OK 14 98 - 15 - 8133/1.8=4, 8134=2...(4) HA LYS 123 - HB3 GLU 66 lone 9 92 - 9 - 4902/3.0=2, 4908/3.0=2...(5) HA LYS 123 - HB3 GLU 69 lone 7 100 - 7 - 8133/1.8=2, 2107/4.0=2, 8134=1 HA GLU 92 - HB3 GLU 66 lone 6 88 - 7 - 4908/3.0=1, 4902/3.0=1, 8134=1 HA GLU 66 - HB2 GLU 112 lone 6 96 - 6 - 8134=1, 2.9/1435=1 HA GLU 66 - HB3 GLU 112 lone 6 94 - 6 - 8134=1, 2.9/1435=1 HA GLU 87 - HB3 GLU 66 lone 5 83 - 7 - 4908/3.0=1, 4902/3.0=1 HA PHE 120 - HB3 GLU 66 lone 5 91 - 5 - 8296/4.1=1 HA LYS 40 - HB3 GLU 69 lone 3 99 - 3 - HA GLU 119 - HB2 GLU 112 lone 3 96 - 3 - HA GLU 119 - HB3 GLU 112 lone 3 94 - 3 - HA PHE 120 - HB2 GLU 112 lone 2 95 - 2 - HA PHE 120 - HB3 GLU 112 lone 2 93 - 2 - HA GLU 87 - HB3 GLU 69 lone 2 94 - 2 - HA PHE 120 - HB3 GLU 69 lone 2 99 - 2 - HA GLU 119 - HB3 GLU 69 lone 2 100 - 2 - HA GLU 119 - HB3 GLU 66 lone 1 92 - 2 - HA GLU 13 - HB3 GLU 69 lone 1 100 - 1 - HA GLU 87 - HB2 GLU 112 lone 1 88 - 1 - HA GLU 13 - HB3 GLU 66 lone 1 92 - 1 - HA GLU 87 - HB3 GLU 112 lone 1 85 - 1 - HA LYS 123 - HB2 GLU 112 lone 1 96 - 1 - HA LYS 123 - HB3 GLU 112 lone 1 94 - 1 - HA GLU 92 - HB2 GLU 112 lone 1 93 - 1 - HA GLU 92 - HB3 GLU 112 lone 1 90 - 1 - HB3 SER 126 - HB3 GLU 69 lone 1 99 - 1 - HB2 SER 126 - HB3 GLU 69 lone 1 100 - 1 - HB3 SER 126 - HB3 GLU 66 lone 1 91 - 1 - HB2 SER 126 - HB3 GLU 66 lone 1 91 - 1 - HA LYS 40 - HB3 GLU 66 lone 1 91 - 1 - HA3 GLY 101 - HB3 GLU 69 lone 0 70 - 1 - HA GLU 13 - HB2 GLU 112 lone 0 96 - 0 - HA LYS 40 - HB2 GLU 112 lone 0 95 - 0 - HA GLU 13 - HB3 GLU 112 lone 0 94 - 0 - HA LYS 40 - HB3 GLU 112 lone 0 93 - 0 - HA3 GLY 75 - HB3 GLU 69 lone 0 81 - 0 - HA3 GLY 101 - HB2 GLU 112 lone 0 63 - 0 - HA3 GLY 101 - HB3 GLU 112 lone 0 61 - 0 - HB2 SER 126 - HB2 GLU 112 lone 0 95 - 0 - HB3 SER 126 - HB2 GLU 112 lone 0 95 - 0 - HB2 SER 126 - HB3 GLU 112 lone 0 93 - 0 - HB3 SER 126 - HB3 GLU 112 lone 0 93 - 0 - HA3 GLY 75 - HB3 GLU 66 lone 0 69 - 0 - HA3 GLY 101 - HB3 GLU 66 lone 0 59 - 0 - HA3 GLY 75 - HB2 GLU 112 lone 0 74 - 0 - HA3 GLY 75 - HB3 GLU 112 lone 0 71 - 0 - Peak 8137 from cnoeabs.peaks (7.63, 3.95, 59.96 ppm; 4.81 A): 3 out of 10 assignments used, quality = 0.93: * H GLU 69 + HA MET 67 OK 75 100 - 75 - 421/3.6=35, 2105=26...(10) H LEU 64 + HA MET 67 OK 53 100 - 53 - ~8117=9, ~2097=8...(10) H GLN 100 + HA MET 67 OK 45 99 - 45 - 11179=9, 4.9/10893=7...(12) H ALA 46 - HA MET 67 OK 19 92 - 20 - 2105=5, 421/3.6=4...(6) H LYS 115 - HA MET 67 OK 11 92 - 12 - 1911/3.6=3, 2099/2.9=1...(4) HE21 GLN 85 - HA MET 67 OK 11 100 - 11 - 2099/2.9=2, ~7933=1...(5) H LEU 74 - HA MET 67 lone 6 65 - 9 - 4.6/8138=4, 4.3/4919=1 H ASP 34 - HA MET 67 lone 5 90 - 6 - 2099/2.9=2, 4.5/1221=2 HD21 ASN 50 - HA MET 67 lone 2 98 - 2 - HD21 ASN 10 - HA MET 67 lone 1 81 - 1 - Peak 8138 from cnoeabs.peaks (7.72, 3.95, 59.96 ppm; 4.75 A): 3 out of 3 assignments used, quality = 0.90: * H LEU 70 + HA MET 67 OK 85 100 - 85 - 2112=28, 2111/3.6=26...(12) H LYS 73 + HA MET 67 OK 21 98 - 22 - 2104/3.6=5, 2125/8143=4...(10) H GLU 47 + HA MET 67 OK 14 99 - 14 - 2104/3.6=4, 4.6/2105=3...(4) Peak 8139 from cnoeabs.peaks (1.94, 3.95, 59.96 ppm; 3.42 A): 3 out of 17 assignments used, quality = 0.64: * HB2 LEU 70 + HA MET 67 OK 55 100 - 55 - 3.1/9769=13, 1.8/8141=12...(10) HB2 LYS 123 + HA MET 67 OK 11 96 - 11 - 2.9/8141=3, 4.4/8143=3...(4) HB3 MET 42 + HA MET 67 OK 11 96 - 11 - 4.2/9424=9 HB2 LYS 65 - HA MET 67 lone 8 96 - 9 - ~2095=4, ~8123=4 HB3 LYS 65 - HA MET 67 lone 8 94 - 9 - ~2095=4, ~8123=4 HB3 GLU 128 - HA MET 67 lone 8 87 - 9 - ~8117=2, ~8121=2...(6) HB VAL 104 - HA MET 67 lone 7 99 - 7 - ~9707=3 HB2 LEU 127 - HA MET 67 lone 6 94 - 6 - ~9707=1, 8140=1 HB3 LYS 115 - HA MET 67 lone 3 96 - 3 - HB2 LYS 115 - HA MET 67 lone 2 81 - 3 - HB3 GLU 41 - HA MET 67 lone 2 97 - 2 - 3.0/9403=1 HB2 GLU 41 - HA MET 67 lone 2 96 - 2 - 3.0/9403=1 HB3 GLU 52 - HA MET 67 lone 1 92 - 2 - HB2 LYS 39 - HA MET 67 lone 1 96 - 1 - HB3 LYS 39 - HA MET 67 lone 1 98 - 1 - HB VAL 29 - HA MET 67 lone 1 90 - 1 - HB3 LYS 40 - HA MET 67 lone 1 100 - 1 - Peak 8140 from cnoeabs.peaks (3.95, 1.94, 41.94 ppm; 4.48 A): 3 out of 10 assignments used, quality = 0.90: * HA MET 67 + HB2 LEU 70 OK 78 100 - 78 - 8139=22, 8141/1.8=21...(10) HA ILE 97 + HB2 LEU 70 OK 36 92 - 39 - 8142/1.8=9, 9769/3.1=7...(11) HB3 SER 35 + HB2 LEU 70 OK 29 100 - 29 - 8142/1.8=7, 9769/3.1=6...(7) HA MET 67 - HB2 LEU 127 poor 9 78 - 11 - ~9707=3, 8139=2, ~9698=2...(5) HA GLU 21 - HB2 LEU 70 lone 8 77 - 10 - 8142/1.8=2, 9769/3.1=2...(6) HA MET 121 - HB2 LEU 70 lone 3 70 - 5 - HA ILE 97 - HB2 LEU 127 lone 2 66 - 3 - HB3 SER 35 - HB2 LEU 127 lone 1 78 - 1 - HA MET 121 - HB2 LEU 127 lone 1 47 - 2 - HA GLU 21 - HB2 LEU 127 lone 0 53 - 1 - Peak 8141 from cnoeabs.peaks (1.57, 3.95, 59.96 ppm; 4.40 A): 3 out of 12 assignments used, quality = 0.86: * HB3 LEU 70 + HA MET 67 OK 77 100 - 77 - 1.8/8139=21, 3.1/9769=21...(11) HG2 LYS 123 + HA MET 67 OK 24 99 - 24 - 7097/2.9=6, 4.7/8143=4...(8) HG LEU 68 + HA MET 67 OK 18 65 - 27 - 4976/3.6=17, 11642/3.0=4...(5) HB VAL 78 - HA MET 67 lone 5 84 - 6 - 2.1/9703=3 HG2 LYS 115 - HA MET 67 lone 4 94 - 5 - HG12 ILE 3 - HA MET 67 lone 3 94 - 4 - ~9699=3 HG LEU 55 - HA MET 67 lone 3 99 - 3 - ~9709=1 HG12 ILE 116 - HA MET 67 lone 3 81 - 3 - HG3 LYS 96 - HA MET 67 lone 2 100 - 2 - HG2 LYS 44 - HA MET 67 lone 2 87 - 2 - HD3 LYS 106 - HA MET 67 lone 1 96 - 1 - HD2 LYS 106 - HA MET 67 lone 1 94 - 1 - Peak 8142 from cnoeabs.peaks (3.95, 1.57, 41.94 ppm; 4.69 A): 3 out of 5 assignments used, quality = 0.92: * HA MET 67 + HB3 LEU 70 OK 82 100 - 82 - 8141=27, 9769/3.1=23...(12) HA ILE 97 + HB3 LEU 70 OK 38 92 - 42 - 8140/1.8=9, 9769/3.1=7...(12) HB3 SER 35 + HB3 LEU 70 OK 31 100 - 31 - 8140/1.8=7, 9769/3.1=7...(7) HA GLU 21 - HB3 LEU 70 poor 9 77 - 11 - 8140/1.8=2, 9769/3.1=2...(6) HA MET 121 - HB3 LEU 70 lone 3 70 - 5 - 8303/4.5=1 Peak 8143 from cnoeabs.peaks (8.60, 3.95, 59.96 ppm; 4.77 A): 3 out of 8 assignments used, quality = 0.81: * H ILE 71 + HA MET 67 OK 71 100 - 71 - 4.6/8138=17, 4.7/9769=17...(13) H ALA 124 + HA MET 67 OK 27 100 - 27 - 784/2.9=7, 2241=4...(6) H LYS 94 + HA MET 67 OK 11 96 - 12 - 7657/9769=2...(6) H LEU 80 - HA MET 67 lone 5 100 - 5 - H GLN 85 - HA MET 67 lone 3 61 - 4 - 4.0/11121=1 H LYS 49 - HA MET 67 lone 2 94 - 2 - H THR 108 - HA MET 67 lone 2 98 - 2 - H ASP 12 - HA MET 67 lone 1 87 - 1 - Peak 8144 from cnoeabs.peaks (7.72, 3.78, 57.94 ppm; 6.20 A): 3 out of 3 assignments used, quality = 0.93: * H LEU 70 + HA LEU 68 OK 83 100 - 83 - 2111/3.0=43, 2110=33...(7) H LYS 73 + HA LEU 68 OK 48 98 - 49 - 4.6/2123=22, 1916/3.6=9...(10) H GLU 47 + HA LEU 68 OK 25 99 - 25 - 278/3.6=13, 2104/3.0=7...(4) Peak 8145 from cnoeabs.peaks (8.60, 3.78, 57.94 ppm; 4.66 A): 4 out of 8 assignments used, quality = 0.85: * H ILE 71 + HA LEU 68 OK 75 100 - 75 - 2117=28, 3.9/8147=17...(10) H LEU 80 + HA LEU 68 OK 22 100 - 22 - 4.7/9759=5, 4.6/9741=5...(6) H LYS 94 + HA LEU 68 OK 12 96 - 13 - 2109/3.6=3, 1621/2.9=2...(4) H ALA 124 + HA LEU 68 OK 12 100 - 12 - 2109/3.6=4, 5076/8147=1...(4) H LYS 49 - HA LEU 68 lone 4 94 - 4 - H THR 108 - HA LEU 68 lone 3 98 - 3 - H ASP 12 - HA LEU 68 lone 2 87 - 2 - H GLN 85 - HA LEU 68 lone 2 61 - 2 - Peak 8146 from cnoeabs.peaks (1.90, 3.78, 57.94 ppm; 4.01 A): 4 out of 21 assignments used, quality = 0.85: * HB ILE 71 + HA LEU 68 OK 69 100 - 69 - 8147=26, 3.0/9758=17...(10) QE MET 67 + HA LEU 68 OK 36 73 - 49 - 7641/3.0=15, 9728=10...(10) HB2 LYS 73 + HA LEU 68 OK 13 100 - 13 - 4.0/8144=4 HB3 LYS 73 + HA LEU 68 OK 13 100 - 13 - 4.0/8144=4 HB2 GLU 128 - HA LEU 68 lone 8 99 - 8 - ~8122=3, ~2103=2 HB3 LYS 123 - HA LEU 68 lone 5 65 - 8 - ~2100=2, 4.4/8145=2, ~1449=1 HB2 LEU 45 - HA LEU 68 lone 5 96 - 5 - HB3 LYS 20 - HA LEU 68 lone 3 98 - 3 - HB2 LYS 20 - HA LEU 68 lone 3 98 - 3 - HB3 LYS 43 - HA LEU 68 lone 3 99 - 3 - HB ILE 7 - HA LEU 68 lone 3 99 - 3 - HG LEU 45 - HA LEU 68 lone 3 81 - 4 - HB2 LYS 43 - HA LEU 68 lone 3 90 - 3 - HB3 LYS 44 - HA LEU 68 lone 2 92 - 3 - HB2 LYS 96 - HA LEU 68 lone 2 99 - 2 - HB2 ARG 95 - HA LEU 68 lone 2 100 - 2 - HB2 LYS 49 - HA LEU 68 lone 2 100 - 2 - HB2 LYS 44 - HA LEU 68 lone 2 77 - 2 - HB3 LYS 16 - HA LEU 68 lone 2 77 - 2 - HB2 LYS 16 - HA LEU 68 lone 1 73 - 2 - HB ILE 15 - HA LEU 68 lone 1 61 - 2 - Peak 8147 from cnoeabs.peaks (3.78, 1.90, 37.90 ppm; 4.11 A): 3 out of 3 assignments used, quality = 0.83: * HA LEU 68 + HB ILE 71 OK 68 100 - 68 - 8146=19, 9758/3.0=18...(10) HB2 SER 58 + HB ILE 71 OK 36 100 - 36 - 9784/3.2=9, 9785/3.0=8...(7) HA LYS 65 + HB ILE 71 OK 19 77 - 25 - 2117/3.9=4, 9784/3.2=4...(8) Peak 8148 from cnoeabs.peaks (8.02, 3.78, 57.94 ppm; 5.77 A): 3 out of 7 assignments used, quality = 0.89: * H SER 72 + HA LEU 68 OK 74 100 - 74 - 2123=29, 4.5/8147=21...(10) H LYS 65 + HA LEU 68 OK 53 77 - 68 - ~8124=26, ~8127=19...(13) H ARG 118 + HA LEU 68 OK 13 100 - 13 - 4.4/9761=2, 9747/4.0=2, ~2103=2 H ILE 116 - HA LEU 68 lone 6 61 - 9 - 11602/9759=2 H ASP 109 - HA LEU 68 lone 4 84 - 4 - H GLY 26 - HA LEU 68 lone 2 100 - 2 - H VAL 22 - HA LEU 68 lone 2 81 - 3 - Peak 8150 from cnoeabs.peaks (8.02, 4.05, 59.42 ppm; 4.36 A): 3 out of 21 assignments used, quality = 0.75: * H SER 72 + HA GLU 69 OK 60 100 - 60 - 2122=27, 2114/3.6=15...(8) H SER 72 + HA LYS 44 OK 29 93 - 31 - 2122=13, 4.6/2127=6...(7) H LYS 65 + HA GLU 69 OK 14 77 - 18 - ~8129=5, 2114/3.6=5...(6) H SER 72 - HA GLU 37 lone 8 76 - 10 - 2122=4, 4.0/8152=2...(4) H GLY 26 - HA LYS 44 lone 4 92 - 4 - 4.6/11346=3 H GLY 26 - HA GLU 69 lone 4 100 - 4 - 4.6/11346=2 H ARG 118 - HA GLU 69 lone 3 100 - 3 - H GLY 26 - HA GLU 37 lone 3 75 - 4 - 4.6/11346=3 H ILE 116 - HA GLU 69 lone 3 61 - 5 - 2114/3.6=1 H VAL 22 - HA GLU 69 lone 2 81 - 3 - H ASP 109 - HA GLU 69 lone 2 84 - 3 - H ASP 109 - HA GLU 37 lone 2 57 - 3 - 4.4/10330=2 H LYS 65 - HA LYS 44 lone 1 67 - 1 - H ILE 116 - HA LYS 44 lone 1 52 - 2 - H ARG 118 - HA LYS 44 lone 1 92 - 1 - H ASP 109 - HA LYS 44 lone 1 73 - 1 - H LYS 65 - HA GLU 37 lone 1 51 - 1 - H ARG 118 - HA GLU 37 lone 1 75 - 1 - H VAL 22 - HA LYS 44 lone 1 70 - 1 - H ILE 116 - HA GLU 37 lone 1 40 - 2 - H VAL 22 - HA GLU 37 lone 1 54 - 1 - Peak 8151 from cnoeabs.peaks (4.12, 4.05, 59.42 ppm; 2.57 A): 4 out of 24 assignments used, quality = 0.57: HB3 SER 72 + HA GLU 69 OK 25 100 - 26 - 8152=11, 1.8/8152=8...(5) * HB2 SER 72 + HA GLU 69 OK 25 100 - 26 - 8152=11, 1.8/8152=8...(5) HB3 SER 72 + HA LYS 44 OK 12 93 - 13 - 8154=6, 1.8/8154=4...(4) HB2 SER 72 + HA LYS 44 OK 12 93 - 13 - 8154=6, 1.8/8154=4...(4) HB3 SER 72 - HA GLU 37 lone 4 76 - 5 - 8154=2, 1.8/8152=1 HB2 SER 72 - HA GLU 37 lone 4 76 - 5 - 8154=2, 1.8/8152=1 HA LEU 63 - HA GLU 69 lone 3 87 - 3 - HA3 GLY 26 - HA LYS 44 lone 1 91 - 2 - 3.6/11346=1 HA3 GLY 26 - HA GLU 69 lone 1 99 - 1 - HA LEU 63 - HA GLU 37 lone 1 60 - 2 - HA VAL 22 - HA GLU 69 lone 1 92 - 1 - HA3 GLY 26 - HA GLU 37 lone 1 74 - 1 - 3.6/11346=1 HA MET 1 - HA LYS 44 lone 1 91 - 1 - HA GLN 122 - HA GLU 69 lone 0 84 - 1 - HA MET 1 - HA GLU 37 lone 0 74 - 1 - HA GLN 62 - HA GLU 69 lone 0 70 - 1 - HA MET 1 - HA GLU 69 lone 0 99 - 0 - HA LEU 63 - HA LYS 44 lone 0 76 - 1 - HA VAL 22 - HA GLU 37 lone 0 64 - 1 - HA VAL 22 - HA LYS 44 lone 0 81 - 0 - HA GLN 122 - HA LYS 44 lone 0 73 - 0 - HA GLN 62 - HA GLU 37 lone 0 45 - 0 - HA GLN 62 - HA LYS 44 lone 0 59 - 0 - HA GLN 122 - HA GLU 37 lone 0 57 - 0 - Peak 8152 from cnoeabs.peaks (4.05, 4.12, 62.78 ppm; 2.73 A): 4 out of 27 assignments used, quality = 0.64: * HA GLU 69 + HB2 SER 72 OK 30 100 - 30 - 8151=13, 8153/1.8=9...(5) HA GLU 69 + HB3 SER 72 OK 30 100 - 30 - 8151=13, 8153/1.8=9...(5) HA LYS 44 + HB2 SER 72 OK 14 98 - 15 - 8153=6, 8151/1.8=4...(4) HA LYS 44 + HB3 SER 72 OK 14 98 - 15 - 8153=6, 8151/1.8=4...(4) HA GLU 37 - HB3 SER 72 lone 5 99 - 5 - 8153=2, 8151/1.8=1 HA GLU 37 - HB2 SER 72 lone 5 99 - 5 - 8153=2, 8151/1.8=1 HA LYS 96 - HB2 SER 72 lone 1 92 - 1 - HA LYS 96 - HB3 SER 72 lone 1 92 - 1 - HA GLU 69 - HA VAL 22 lone 1 83 - 1 - HA2 GLY 125 - HB2 SER 72 lone 1 100 - 1 - HA2 GLY 125 - HB3 SER 72 lone 1 100 - 1 - HA SER 35 - HB3 SER 72 lone 1 94 - 1 - HA SER 35 - HB2 SER 72 lone 1 94 - 1 - HA3 GLY 125 - HB2 SER 72 lone 1 96 - 1 - HA3 GLY 125 - HB3 SER 72 lone 1 96 - 1 - HA GLU 37 - HA VAL 22 lone 1 81 - 1 - HA SER 35 - HA VAL 22 lone 0 73 - 1 - HA LYS 44 - HA VAL 22 lone 0 78 - 0 - HA2 GLY 125 - HA VAL 22 lone 0 82 - 0 - HA3 GLY 125 - HA VAL 22 lone 0 75 - 0 - HA GLU 91 - HB2 SER 72 lone 0 65 - 0 - HA GLU 91 - HB3 SER 72 lone 0 65 - 0 - HA LYS 96 - HA VAL 22 lone 0 71 - 0 - HA GLU 87 - HB2 SER 72 lone 0 57 - 0 - HA GLU 87 - HB3 SER 72 lone 0 57 - 0 - HA GLU 87 - HA VAL 22 lone 0 41 - 0 - HA GLU 91 - HA VAL 22 lone 0 47 - 0 - Peak 8153 from cnoeabs.peaks (4.12, 4.05, 59.42 ppm; 2.57 A): 4 out of 24 assignments used, quality = 0.57: * HB3 SER 72 + HA GLU 69 OK 25 100 - 26 - 8152=11, 1.8/8152=8...(5) HB2 SER 72 + HA GLU 69 OK 25 100 - 26 - 8152=11, 1.8/8152=8...(5) HB3 SER 72 + HA LYS 44 OK 12 93 - 13 - 8154=6, 1.8/8154=4...(4) HB2 SER 72 + HA LYS 44 OK 12 93 - 13 - 8154=6, 1.8/8154=4...(4) HB3 SER 72 - HA GLU 37 lone 4 76 - 5 - 8154=2, 1.8/8152=1 HB2 SER 72 - HA GLU 37 lone 4 76 - 5 - 8154=2, 1.8/8152=1 HA LEU 63 - HA GLU 69 lone 3 87 - 3 - HA3 GLY 26 - HA LYS 44 lone 1 91 - 2 - 3.6/11346=1 HA3 GLY 26 - HA GLU 69 lone 1 99 - 1 - HA LEU 63 - HA GLU 37 lone 1 60 - 2 - HA VAL 22 - HA GLU 69 lone 1 92 - 1 - HA3 GLY 26 - HA GLU 37 lone 1 74 - 1 - 3.6/11346=1 HA MET 1 - HA LYS 44 lone 1 91 - 1 - HA GLN 122 - HA GLU 69 lone 0 84 - 1 - HA MET 1 - HA GLU 37 lone 0 74 - 1 - HA GLN 62 - HA GLU 69 lone 0 70 - 1 - HA MET 1 - HA GLU 69 lone 0 99 - 0 - HA LEU 63 - HA LYS 44 lone 0 76 - 1 - HA VAL 22 - HA GLU 37 lone 0 64 - 1 - HA VAL 22 - HA LYS 44 lone 0 81 - 0 - HA GLN 122 - HA LYS 44 lone 0 73 - 0 - HA GLN 62 - HA GLU 37 lone 0 45 - 0 - HA GLN 62 - HA LYS 44 lone 0 59 - 0 - HA GLN 122 - HA GLU 37 lone 0 57 - 0 - Peak 8154 from cnoeabs.peaks (4.05, 4.12, 62.78 ppm; 2.73 A): 4 out of 27 assignments used, quality = 0.64: HA GLU 69 + HB2 SER 72 OK 30 100 - 30 - 8151=13, 8153/1.8=9...(5) * HA GLU 69 + HB3 SER 72 OK 30 100 - 30 - 8151=13, 8153/1.8=9...(5) HA LYS 44 + HB2 SER 72 OK 14 98 - 15 - 8153=6, 8151/1.8=4...(4) HA LYS 44 + HB3 SER 72 OK 14 98 - 15 - 8153=6, 8151/1.8=4...(4) HA GLU 37 - HB3 SER 72 lone 5 99 - 5 - 8153=2, 8151/1.8=1 HA GLU 37 - HB2 SER 72 lone 5 99 - 5 - 8153=2, 8151/1.8=1 HA LYS 96 - HB2 SER 72 lone 1 92 - 1 - HA LYS 96 - HB3 SER 72 lone 1 92 - 1 - HA GLU 69 - HA VAL 22 lone 1 83 - 1 - HA2 GLY 125 - HB2 SER 72 lone 1 100 - 1 - HA2 GLY 125 - HB3 SER 72 lone 1 100 - 1 - HA SER 35 - HB3 SER 72 lone 1 94 - 1 - HA SER 35 - HB2 SER 72 lone 1 94 - 1 - HA3 GLY 125 - HB2 SER 72 lone 1 96 - 1 - HA3 GLY 125 - HB3 SER 72 lone 1 96 - 1 - HA GLU 37 - HA VAL 22 lone 1 81 - 1 - HA SER 35 - HA VAL 22 lone 0 73 - 1 - HA LYS 44 - HA VAL 22 lone 0 78 - 0 - HA2 GLY 125 - HA VAL 22 lone 0 82 - 0 - HA3 GLY 125 - HA VAL 22 lone 0 75 - 0 - HA GLU 91 - HB2 SER 72 lone 0 65 - 0 - HA GLU 91 - HB3 SER 72 lone 0 65 - 0 - HA LYS 96 - HA VAL 22 lone 0 71 - 0 - HA GLU 87 - HB2 SER 72 lone 0 57 - 0 - HA GLU 87 - HB3 SER 72 lone 0 57 - 0 - HA GLU 87 - HA VAL 22 lone 0 41 - 0 - HA GLU 91 - HA VAL 22 lone 0 47 - 0 - Peak 8157 from cnoeabs.peaks (7.72, 4.16, 57.77 ppm; 3.78 A): 1 out of 1 assignment used, quality = 0.98: H LEU 70 + HA LEU 70 OK 98 98 - 100 - 3.0=100 Reference assignment not found: H LYS 73 - HA LEU 70 Peak 8158 from cnoeabs.peaks (1.90, 4.16, 57.77 ppm; 3.51 A): 3 out of 21 assignments used, quality = 0.86: * HB2 LYS 73 + HA LEU 70 OK 56 100 - 56 - 2.9/11081=16...(14) HB3 LYS 73 + HA LEU 70 OK 56 100 - 56 - 2.9/11081=16...(14) HB ILE 71 + HA LEU 70 OK 25 100 - 25 - 5076/3.6=13, ~9795=3...(6) HB3 LYS 20 - HA LEU 70 lone 5 99 - 5 - HB2 LYS 20 - HA LEU 70 lone 5 99 - 5 - HB3 LYS 123 - HA LEU 70 lone 4 61 - 7 - 3.8/5031=2, 1467/3.6=1, ~1460=1 HB2 LYS 96 - HA LEU 70 lone 4 98 - 4 - HB3 LYS 44 - HA LEU 70 lone 3 90 - 4 - HB3 LYS 43 - HA LEU 70 lone 3 98 - 3 - HB2 LYS 44 - HA LEU 70 lone 2 73 - 3 - HB2 LYS 43 - HA LEU 70 lone 2 87 - 2 - HB2 LEU 45 - HA LEU 70 lone 2 94 - 2 - HB2 ARG 95 - HA LEU 70 lone 2 100 - 2 - HB2 GLU 128 - HA LEU 70 lone 1 98 - 1 - HG LEU 45 - HA LEU 70 lone 1 84 - 1 - QE MET 67 - HA LEU 70 lone 1 77 - 2 - 1467/3.6=1 HB3 LYS 16 - HA LEU 70 lone 1 81 - 1 - HB2 LYS 16 - HA LEU 70 lone 1 77 - 1 - HG2 ARG 95 - HA LEU 70 lone 1 61 - 1 - HB2 LYS 49 - HA LEU 70 lone 1 99 - 1 - HB ILE 7 - HA LEU 70 lone 1 100 - 1 - Peak 8159 from cnoeabs.peaks (4.16, 1.90, 32.15 ppm; 3.70 A): 3 out of 45 assignments used, quality = 0.92: * HA LEU 70 + HB2 LYS 73 OK 66 100 - 66 - 11081/2.9=16, 8160=16...(14) HA LEU 70 + HB3 LYS 73 OK 66 100 - 66 - 11081/2.9=16, 8160=16...(14) HA ARG 95 + HB2 LYS 96 OK 29 79 - 37 - 3.6/605=7, ~1630=6...(13) HA LEU 45 - HB3 LYS 73 OK 22 84 - 26 - 2126/4.0=4, 11080/2.9=3...(9) HA LEU 45 - HB2 LYS 73 OK 22 84 - 26 - 2126/4.0=4, 11080/2.9=3...(9) HA LEU 45 - HB3 LYS 44 OK 22 56 - 39 - 3.0/1294=5, ~266=5...(15) HA LEU 45 - HB2 LYS 96 OK 14 73 - 19 - ~266=3, ~265=3, ~7514=2...(6) HA LEU 45 - HB3 LYS 43 OK 12 59 - 20 - 3.6/273=3, 3.0/1294=3...(9) HA ARG 95 - HB2 LYS 73 poor 10 90 - 11 - 11080/2.9=1, 2126/4.0=1 HA ARG 95 - HB3 LYS 73 poor 10 89 - 11 - 11080/2.9=1, 2126/4.0=1 HA LEU 45 - HB2 LYS 43 poor 9 41 - 21 - 3.6/273=3, 3.0/1294=3...(10) HA ARG 95 - HB3 LYS 44 poor 8 61 - 13 - 3.6/1637=3, 3.0/1629=1...(4) HA LEU 45 - HB2 LYS 20 poor 8 64 - 12 - 3994/1.8=1 HA LEU 45 - HB3 LYS 20 poor 8 64 - 12 - 3994/1.8=1 HA ARG 95 - HB3 LYS 20 poor 8 70 - 11 - 6019/1.8=1 HA ARG 95 - HB2 LYS 20 poor 8 70 - 11 - 6019/1.8=1 HA ARG 95 - HB3 LYS 43 poor 7 64 - 11 - 3.0/1629=2, ~597=2 HA LEU 70 - HB3 LYS 20 lone 6 84 - 7 - 8160=1, 8160/1.8=1 HA LEU 70 - HB2 LYS 20 lone 6 84 - 7 - 8160=1, 8160/1.8=1 HA ALA 124 - HB3 LYS 73 lone 5 69 - 8 - 10630=1, 2.1/10621=1 HA ALA 124 - HB2 LYS 73 lone 5 70 - 8 - 2.1/10621=1, 10630=1 HA LEU 70 - HB2 LYS 96 lone 5 93 - 5 - 8160=1 HA ARG 95 - HB2 LYS 43 poor 5 45 - 10 - ~597=2, 3.0/1629=2, ~1629=1 HA LEU 70 - HB3 LYS 44 lone 4 75 - 5 - HA ARG 95 - HB3 LYS 16 lone 3 50 - 6 - HA ALA 124 - HB3 LYS 43 lone 3 47 - 6 - 2.1/10621=1, 10630=1 HA LEU 70 - HB3 LYS 43 lone 3 78 - 4 - HA ALA 124 - HB3 LYS 20 lone 2 52 - 4 - HA ALA 124 - HB2 LYS 20 lone 2 52 - 4 - HA ALA 124 - HB3 LYS 44 lone 2 45 - 5 - HA ALA 124 - HB2 LYS 43 lone 2 32 - 6 - 2.1/10621=1 HA LEU 70 - HB2 LYS 43 lone 2 57 - 3 - HA ALA 124 - HB2 LYS 96 lone 2 59 - 3 - HA LEU 70 - HB3 LYS 16 lone 1 63 - 2 - HA GLU 89 - HB2 LYS 73 lone 1 81 - 1 - HA GLU 89 - HB3 LYS 73 lone 1 80 - 1 - HA LEU 45 - HB3 LYS 16 lone 1 46 - 1 - HA ALA 124 - HB3 LYS 16 lone 1 36 - 2 - HA GLU 89 - HB2 LYS 96 lone 0 70 - 1 - HA GLU 89 - HB3 LYS 44 lone 0 54 - 1 - HA GLU 89 - HB2 LYS 20 lone 0 61 - 0 - HA GLU 89 - HB3 LYS 20 lone 0 61 - 0 - HA GLU 89 - HB3 LYS 43 lone 0 56 - 0 - HA GLU 89 - HB2 LYS 43 lone 0 39 - 0 - HA GLU 89 - HB3 LYS 16 lone 0 44 - 0 - Peak 8160 from cnoeabs.peaks (1.89, 4.16, 57.77 ppm; 3.51 A): 3 out of 20 assignments used, quality = 0.86: * HB3 LYS 73 + HA LEU 70 OK 56 100 - 56 - 2.9/11081=16...(14) HB2 LYS 73 + HA LEU 70 OK 56 100 - 56 - 2.9/11081=16...(14) HB ILE 71 + HA LEU 70 OK 25 100 - 25 - 5076/3.6=13, ~9795=3...(6) HB3 LYS 20 - HA LEU 70 lone 5 99 - 5 - HB2 LYS 20 - HA LEU 70 lone 5 99 - 5 - HB2 LYS 96 - HA LEU 70 lone 4 97 - 4 - HB3 LYS 44 - HA LEU 70 lone 3 87 - 4 - HB3 LYS 43 - HA LEU 70 lone 2 97 - 3 - HB2 LYS 44 - HA LEU 70 lone 2 70 - 3 - HB2 LYS 43 - HA LEU 70 lone 2 84 - 2 - HB2 LEU 45 - HA LEU 70 lone 2 92 - 2 - HB2 ARG 95 - HA LEU 70 lone 2 100 - 2 - HG LEU 45 - HA LEU 70 lone 1 87 - 2 - HB2 GLU 128 - HA LEU 70 lone 1 97 - 1 - QE MET 67 - HA LEU 70 lone 1 81 - 2 - 1467/3.6=1 HB3 LYS 16 - HA LEU 70 lone 1 84 - 1 - HB2 LYS 16 - HA LEU 70 lone 1 81 - 1 - HG2 ARG 95 - HA LEU 70 lone 1 65 - 1 - HB2 LYS 49 - HA LEU 70 lone 1 99 - 1 - HB ILE 7 - HA LEU 70 lone 1 100 - 1 - Peak 8161 from cnoeabs.peaks (4.16, 1.89, 32.15 ppm; 3.70 A): 4 out of 50 assignments used, quality = 0.94: * HA LEU 70 + HB3 LYS 73 OK 66 100 - 66 - 11081/2.9=16, 8160=16...(14) HA LEU 70 + HB2 LYS 73 OK 66 100 - 66 - 11081/2.9=16, 8160=16...(14) HA ARG 95 + HB2 LYS 96 OK 28 76 - 37 - 3.6/605=7, ~1630=6...(13) HA LEU 45 + HB3 LYS 73 OK 22 84 - 27 - 2126/4.0=4, 11080/2.9=3...(9) HA LEU 45 - HB2 LYS 73 OK 22 84 - 27 - 2126/4.0=4, 11080/2.9=3...(9) HA LEU 45 - HB3 LYS 44 OK 20 52 - 39 - 3.0/1294=5, ~266=5...(15) HA LEU 45 - HB2 LYS 96 OK 13 70 - 19 - ~266=3, ~265=3, ~7514=2...(7) HA LEU 45 - HB3 LYS 43 OK 11 57 - 20 - 3.6/273=3, 3.0/1294=3...(9) HA ARG 95 - HB2 LYS 73 poor 10 89 - 11 - 11080/2.9=1, 2126/4.0=1 HA ARG 95 - HB3 LYS 73 poor 10 90 - 11 - 11080/2.9=1, 2126/4.0=1 HA LEU 45 - HB2 LYS 20 poor 8 66 - 12 - 3994=1, 3994/1.8=1 HA LEU 45 - HB3 LYS 20 poor 8 66 - 12 - 3994=1, 3994/1.8=1 HA ARG 95 - HB3 LYS 20 poor 8 72 - 11 - 6019/1.8=1 HA ARG 95 - HB2 LYS 20 poor 8 72 - 11 - 6019/1.8=1 HA LEU 45 - HB2 LYS 43 poor 8 38 - 21 - 3.6/273=3, 3.0/1294=3...(10) HA ARG 95 - HB3 LYS 44 poor 7 57 - 13 - 3.6/1637=3, 3.0/1629=1...(4) HA ARG 95 - HB3 LYS 43 poor 7 62 - 11 - 3.0/1629=2, ~597=2 HA LEU 70 - HB2 LYS 20 lone 6 86 - 7 - 8160=1, 8160/1.8=1 HA LEU 70 - HB3 LYS 20 lone 6 86 - 7 - 8160=1, 8160/1.8=1 HA ALA 124 - HB3 LYS 73 lone 5 70 - 8 - 10630=1, 2.1/10621=1 HA ALA 124 - HB2 LYS 73 lone 5 69 - 8 - 10630=1, 2.1/10621=1 HA LEU 70 - HB2 LYS 96 lone 5 90 - 5 - 8160=1 HA ARG 95 - HB2 LYS 43 poor 4 41 - 10 - ~597=2, 3.0/1629=2, ~1629=1 HA ARG 95 - HB3 LYS 16 lone 4 55 - 6 - HA LEU 70 - HB3 LYS 44 lone 3 70 - 5 - HA ARG 95 - HB2 LYS 16 lone 3 50 - 6 - HA ALA 124 - HB3 LYS 43 lone 3 45 - 6 - 2.1/10621=1, 10630=1 HA LEU 70 - HB3 LYS 43 lone 3 76 - 4 - HA ALA 124 - HB3 LYS 20 lone 2 53 - 4 - HA ALA 124 - HB2 LYS 20 lone 2 53 - 4 - HA ALA 124 - HB3 LYS 44 lone 2 41 - 5 - HA ALA 124 - HB2 LYS 43 lone 2 30 - 6 - 2.1/10621=1 HA LEU 70 - HB2 LYS 43 lone 2 52 - 3 - HA ALA 124 - HB2 LYS 96 lone 2 57 - 3 - HA LEU 70 - HB3 LYS 16 lone 1 68 - 2 - HA LEU 70 - HB2 LYS 16 lone 1 63 - 2 - HA LEU 45 - HB3 LYS 16 lone 1 50 - 1 - HA GLU 89 - HB3 LYS 73 lone 1 81 - 1 - HA GLU 89 - HB2 LYS 73 lone 1 80 - 1 - HA LEU 45 - HB2 LYS 16 lone 1 46 - 1 - HA ALA 124 - HB3 LYS 16 lone 1 40 - 2 - HA ALA 124 - HB2 LYS 16 lone 1 36 - 2 - HA GLU 89 - HB2 LYS 96 lone 0 67 - 1 - HA GLU 89 - HB3 LYS 20 lone 0 63 - 0 - HA GLU 89 - HB2 LYS 20 lone 0 63 - 0 - HA GLU 89 - HB3 LYS 44 lone 0 50 - 1 - HA GLU 89 - HB3 LYS 43 lone 0 54 - 0 - HA GLU 89 - HB3 LYS 16 lone 0 48 - 0 - HA GLU 89 - HB2 LYS 16 lone 0 44 - 0 - HA GLU 89 - HB2 LYS 43 lone 0 36 - 0 - Peak 8162 from cnoeabs.peaks (7.72, 3.74, 64.24 ppm; 5.95 A): 2 out of 3 assignments used, quality = 0.97: * H LYS 73 + HA ILE 71 OK 91 100 - 91 - 2124=48, 448/3.6=42...(14) H LEU 70 + HA ILE 71 OK 64 98 - 65 - 1913/3.0=34, 2114/3.6=24...(9) H GLU 47 - HA ILE 71 OK 20 92 - 22 - 9795/3.2=8, 434/3.0=5...(5) Peak 8164 from cnoeabs.peaks (8.05, 4.04, 58.52 ppm; 4.44 A): 3 out of 7 assignments used, quality = 0.81: * H LEU 90 + HA GLU 87 OK 72 100 - 72 - 4.0/8165=25, 4.0/8167=24...(10) H ASP 109 + HA GLU 87 OK 18 90 - 20 - 4.4/11410=14, 2129/3.6=2...(4) H GLN 122 + HA GLU 87 OK 16 97 - 16 - 2231=3, 2129/3.6=3...(5) H LYS 65 - HA GLU 87 lone 6 94 - 6 - 2129/3.6=1, 5782/8165=1 H THR 9 - HA GLU 87 lone 5 100 - 4 - 2129/3.6=2 H VAL 22 - HA GLU 87 lone 2 92 - 2 - H HIS 131 - HA GLU 87 lone 1 87 - 1 - Peak 8165 from cnoeabs.peaks (1.78, 4.04, 58.52 ppm; 3.90 A): 1 out of 7 assignments used, quality = 0.68: * HB2 LEU 90 + HA GLU 87 OK 68 100 - 68 - 1.8/8167=31...(10) HB VAL 32 - HA GLU 87 lone 4 100 - 4 - HB2 LEU 64 - HA GLU 87 lone 2 84 - 2 - HB2 LEU 55 - HA GLU 87 lone 1 77 - 2 - HB2 LYS 19 - HA GLU 87 lone 1 87 - 1 - HB3 GLN 28 - HA GLU 87 lone 1 97 - 1 - HG12 ILE 18 - HA GLU 87 lone 1 90 - 1 - Peak 8166 from cnoeabs.peaks (4.04, 1.78, 42.46 ppm; 4.84 A): 3 out of 13 assignments used, quality = 0.93: * HA GLU 87 + HB2 LEU 90 OK 88 100 - 88 - 8165=44, 8167/1.8=39...(10) HA PHE 120 + HB2 LEU 90 OK 24 84 - 29 - ~11579=16, 10556/1.8=9...(4) HA GLU 66 + HB2 LEU 90 OK 21 94 - 23 - 11573/3.1=5, ~9696=4...(7) HA GLU 92 - HB2 LEU 90 OK 17 100 - 18 - ~8185=6, 2135/4.0=4...(6) HA GLU 119 - HB2 LEU 90 OK 13 96 - 14 - 11573/3.1=4, 8289/4.0=3...(5) HA SER 35 - HB2 LEU 90 OK 11 90 - 13 - 9337/3.1=4, 11493/3.1=3...(5) HA LYS 40 - HB2 LEU 90 lone 5 84 - 6 - ~9392=2, 8168/1.8=1 HA LYS 123 - HB2 LEU 90 lone 5 92 - 5 - 2135/4.0=1 HB3 SER 126 - HB2 LEU 90 lone 5 99 - 5 - HB2 SER 126 - HB2 LEU 90 lone 4 87 - 4 - HA GLU 13 - HB2 LEU 90 lone 3 94 - 3 - HA2 GLY 125 - HB2 LEU 90 lone 2 70 - 3 - HA GLU 69 - HB2 LEU 90 lone 2 57 - 3 - Peak 8167 from cnoeabs.peaks (1.72, 4.04, 58.52 ppm; 3.86 A): 1 out of 11 assignments used, quality = 0.68: * HB3 LEU 90 + HA GLU 87 OK 68 100 - 68 - 1.8/8165=32...(9) HB3 LEU 82 - HA GLU 87 lone 4 81 - 5 - ~10673=2, 9965/10054=1 HB2 LYS 106 - HA GLU 87 lone 3 98 - 3 - 5806/11493=2, 5813/10054=1 HB3 LYS 106 - HA GLU 87 lone 3 96 - 3 - 5806/11493=2, 5813/10054=1 HB3 LYS 94 - HA GLU 87 lone 2 84 - 2 - HB2 LEU 114 - HA GLU 87 lone 1 84 - 1 - HG12 ILE 15 - HA GLU 87 lone 1 99 - 1 - HG2 ARG 118 - HA GLU 87 lone 1 97 - 1 - HD2 LYS 39 - HA GLU 87 lone 0 70 - 1 - HD3 LYS 39 - HA GLU 87 lone 0 65 - 1 - HG LEU 74 - HA GLU 87 lone 0 61 - 1 - Peak 8168 from cnoeabs.peaks (4.04, 1.72, 42.46 ppm; 4.77 A): 3 out of 13 assignments used, quality = 0.92: * HA GLU 87 + HB3 LEU 90 OK 87 100 - 87 - 8165/1.8=42, 8167=41...(9) HA PHE 120 + HB3 LEU 90 OK 27 84 - 33 - ~11579=15, 10556=10...(5) HA GLU 66 + HB3 LEU 90 OK 20 94 - 22 - 11573/3.1=5, 8166/1.8=4...(7) HA GLU 92 - HB3 LEU 90 OK 16 100 - 16 - ~8185=6, 2135/4.0=4...(5) HA GLU 119 - HB3 LEU 90 OK 13 96 - 13 - 11573/3.1=4, 8289/4.0=3...(5) HA SER 35 - HB3 LEU 90 OK 11 90 - 12 - 9337/3.1=4, 11493/3.1=3...(5) HA LYS 40 - HB3 LEU 90 lone 5 84 - 6 - ~9392=2, 8166/1.8=1 HB3 SER 126 - HB3 LEU 90 lone 5 99 - 4 - HA LYS 123 - HB3 LEU 90 lone 4 92 - 5 - 2135/4.0=1 HB2 SER 126 - HB3 LEU 90 lone 3 87 - 4 - HA GLU 13 - HB3 LEU 90 lone 3 94 - 3 - HA2 GLY 125 - HB3 LEU 90 lone 2 70 - 3 - HA GLU 69 - HB3 LEU 90 lone 2 57 - 3 - Peak 8171 from cnoeabs.peaks (7.94, 4.56, 55.64 ppm; 4.33 A): 1 out of 5 assignments used, quality = 0.65: * H GLU 91 + HA ASN 88 OK 65 100 - 65 - 2139=25, 4.0/8172=19...(6) H GLY 125 - HA ASN 88 lone 4 94 - 5 - 2132/3.6=2 H GLY 101 - HA ASN 88 lone 3 99 - 3 - 2132/3.6=1 HD21 ASN 33 - HA ASN 88 lone 3 100 - 3 - 2132/3.6=1 H GLY 75 - HA ASN 88 lone 1 77 - 1 - Peak 8172 from cnoeabs.peaks (2.13, 4.56, 55.64 ppm; 3.61 A): 2 out of 11 assignments used, quality = 0.54: * HB2 GLU 91 + HA ASN 88 OK 49 100 - 49 - 1.8/8174=21, 4.0/8171=15...(9) HB3 GLU 92 + HA ASN 88 OK 11 65 - 16 - 4.0/2145=7, 1.8/8174=5 HB2 GLU 119 - HA ASN 88 lone 5 96 - 5 - 3.0/8174=1 HB3 GLU 119 - HA ASN 88 lone 4 90 - 5 - 3.0/8174=1 HB3 GLU 47 - HA ASN 88 lone 3 77 - 4 - 1.8/8174=1 HG3 GLN 83 - HA ASN 88 lone 1 96 - 1 - HB VAL 107 - HA ASN 88 lone 1 94 - 1 - HB2 LEU 38 - HA ASN 88 lone 1 90 - 1 - HB2 GLU 21 - HA ASN 88 lone 0 94 - 0 - HG2 GLU 41 - HA ASN 88 lone 0 96 - 0 - HG2 GLU 21 - HA ASN 88 lone 0 61 - 0 - Peak 8173 from cnoeabs.peaks (4.56, 2.13, 28.97 ppm; 5.69 A): 3 out of 9 assignments used, quality = 0.89: * HA ASN 88 + HB2 GLU 91 OK 83 100 - 83 - 8171/4.0=33, 8172=33...(9) HA PHE 79 + HB2 GLU 91 OK 29 98 - 30 - 8175/1.8=9, 11104/3.0=9...(4) HA ASN 88 + HB2 GLU 119 OK 11 90 - 12 - 8172=3, 8172/1.8=3...(5) HA ASN 88 - HB3 GLU 119 poor 9 78 - 12 - 8172/1.8=3, 8172=3...(5) HA LYS 77 - HB2 GLU 91 lone 8 84 - 9 - 8175/1.8=2, 2139/4.0=2...(4) HA PHE 79 - HB2 GLU 119 lone 2 86 - 3 - HA PHE 79 - HB3 GLU 119 lone 2 74 - 3 - HA LYS 77 - HB2 GLU 119 lone 1 70 - 2 - HA LYS 77 - HB3 GLU 119 lone 1 59 - 2 - Peak 8174 from cnoeabs.peaks (2.07, 4.56, 55.64 ppm; 3.55 A): 2 out of 13 assignments used, quality = 0.56: * HB3 GLU 91 + HA ASN 88 OK 51 100 - 51 - 1.8/8172=23, 4.0/8171=14...(9) HB2 GLU 92 + HA ASN 88 OK 11 73 - 16 - 4.0/2145=7, 1.8/8172=5 HB2 GLU 103 - HA ASN 88 poor 8 65 - 12 - 4.0/10687=6, 11014=5 HG2 GLU 119 - HA ASN 88 lone 4 97 - 4 - 3.0/8172=2, 3.0/8172=1 HB3 PHE 79 - HA ASN 88 lone 3 98 - 3 - 5.8/10819=1 HB2 GLU 47 - HA ASN 88 lone 3 84 - 4 - 1.8/8172=1 HB2 LYS 94 - HA ASN 88 lone 2 100 - 2 - 1600/8171=1 HB2 GLN 28 - HA ASN 88 lone 2 97 - 2 - 4687/10819=2 HB3 MET 121 - HA ASN 88 lone 2 96 - 2 - HB2 GLU 13 - HA ASN 88 lone 1 99 - 1 - HB3 GLU 112 - HA ASN 88 lone 1 81 - 2 - HB2 GLU 112 - HA ASN 88 lone 1 77 - 1 - HB3 GLU 98 - HA ASN 88 lone 1 73 - 1 - Peak 8175 from cnoeabs.peaks (4.56, 2.07, 28.97 ppm; 5.52 A): 2 out of 9 assignments used, quality = 0.87: * HA ASN 88 + HB3 GLU 91 OK 82 100 - 82 - 8172/1.8=33, 8171/4.0=32...(9) HA PHE 79 + HB3 GLU 91 OK 28 98 - 28 - 11104/3.0=8, 8173/1.8=8...(4) HA LYS 77 - HB3 GLU 91 lone 7 84 - 8 - 8173/1.8=2, 2139/4.0=2...(4) HA LYS 77 - HB2 GLU 13 poor 5 46 - 11 - ~2618=4, ~2624=3...(4) HA ASN 88 - HB2 GLU 13 lone 2 63 - 4 - HA ASN 88 - HB3 GLU 112 lone 2 41 - 4 - HA PHE 79 - HB2 GLU 13 lone 1 59 - 2 - HA PHE 79 - HB3 GLU 112 lone 1 39 - 2 - HA LYS 77 - HB3 GLU 112 lone 0 30 - 1 - Peak 8177 from cnoeabs.peaks (7.94, 4.15, 58.25 ppm; 4.64 A): 1 out of 5 assignments used, quality = 0.68: * H GLU 91 + HA GLU 89 OK 68 100 - 68 - 1933/3.6=28, 2137=21...(8) H GLY 125 - HA GLU 89 lone 9 94 - 10 - 1933/3.6=2, 2132/3.0=2...(4) H GLY 101 - HA GLU 89 lone 5 99 - 5 - 2132/3.0=2, 1933/3.6=1 HD21 ASN 33 - HA GLU 89 lone 5 100 - 5 - 2132/3.0=2, 1933/3.6=1 H GLY 75 - HA GLU 89 lone 1 77 - 2 - Peak 8178 from cnoeabs.peaks (8.09, 4.15, 58.25 ppm; 3.42 A): 2 out of 4 assignments used, quality = 0.63: * H GLU 92 + HA GLU 89 OK 51 100 - 52 - 2144=9, 4.6/8177=9...(12) H PHE 93 + HA GLU 89 OK 24 77 - 31 - 4.6/8180=7, 4.6/8182=6...(8) H GLU 128 - HA GLU 89 lone 8 99 - 8 - 2264=3, 4.6/2257=1 H SER 99 - HA GLU 89 lone 8 90 - 9 - 2179=2, 4.6/2174=1, 4.3/8220=1 Peak 8179 from cnoeabs.peaks (2.05, 4.15, 58.25 ppm; 3.23 A): 2 out of 2 assignments used, quality = 0.97: HB3 GLU 89 + HA GLU 89 OK 84 84 - 100 - 3.0=100 HB2 GLU 89 + HA GLU 89 OK 84 84 - 100 - 3.0=100 Reference assignment not found: HB2 GLU 92 - HA GLU 89 Peak 8180 from cnoeabs.peaks (4.15, 2.05, 28.93 ppm; 3.52 A): 2 out of 24 assignments used, quality = 0.77: * HA GLU 89 + HB2 GLU 92 OK 63 100 - 63 - 8182/1.8=14, 8178/4.0=12...(21) HA ARG 95 + HB2 GLU 92 OK 39 100 - 39 - 8221=12, 8182/1.8=7...(11) HA GLN 122 - HB2 GLU 92 lone 5 87 - 5 - 2144/4.0=1, 8182/1.8=1 HA ARG 95 - HB2 GLU 13 lone 4 53 - 7 - 8221=2, 8219/1.8=1 HA ALA 124 - HB2 GLU 92 lone 3 100 - 3 - 2144/4.0=1 HA LEU 63 - HB2 GLU 92 lone 3 84 - 3 - HA LEU 70 - HB2 GLU 92 lone 3 81 - 3 - HA LEU 45 - HB2 GLU 92 lone 2 100 - 2 - HA GLU 89 - HB2 GLU 13 lone 2 54 - 4 - HA GLU 89 - HB3 GLN 100 lone 1 58 - 2 - HA LEU 70 - HB3 GLN 100 lone 1 40 - 3 - ~433=1, ~430=1 HA VAL 22 - HB2 GLU 92 lone 1 77 - 2 - HA ARG 95 - HB3 GLN 100 lone 1 57 - 2 - HA ALA 124 - HB3 GLN 100 lone 1 57 - 1 - HA LEU 63 - HB3 GLN 100 lone 1 42 - 1 - HA VAL 22 - HB3 GLN 100 lone 0 38 - 1 - HA GLN 122 - HB3 GLN 100 lone 0 44 - 1 - HA LEU 45 - HB2 GLU 13 lone 0 53 - 1 - HA LEU 63 - HB2 GLU 13 lone 0 39 - 1 - HA VAL 22 - HB2 GLU 13 lone 0 35 - 1 - HA GLN 122 - HB2 GLU 13 lone 0 41 - 1 - HA LEU 45 - HB3 GLN 100 lone 0 58 - 1 - HA ALA 124 - HB2 GLU 13 lone 0 53 - 0 - HA LEU 70 - HB2 GLU 13 lone 0 37 - 0 - Peak 8181 from cnoeabs.peaks (2.11, 4.15, 58.25 ppm; 3.80 A): 5 out of 16 assignments used, quality = 0.89: * HB3 GLU 92 + HA GLU 89 OK 75 100 - 75 - 8182=21, 1.8/8180=19...(22) HB2 GLU 111 + HA GLU 89 OK 26 96 - 27 - 7870/3.0=5, 3.0/5749=4...(12) HB2 GLU 87 + HA GLU 89 OK 18 84 - 21 - ~2130=3, ~1587=2...(9) HB2 GLU 91 + HA GLU 89 OK 16 65 - 25 - 4.0/8177=13, 4.6/8178=11 HB3 GLU 66 + HA GLU 89 OK 15 81 - 18 - 3.0/11069=3, 3.0/11070=2...(5) HB3 GLU 119 - HA GLU 89 lone 6 97 - 6 - 8182=2, 1.8/8182=1 HB2 GLU 119 - HA GLU 89 lone 5 92 - 6 - 8182=1, 1.8/8182=1 HB VAL 107 - HA GLU 89 lone 3 94 - 4 - HB3 GLU 47 - HA GLU 89 lone 3 100 - 3 - HB3 GLU 69 - HA GLU 89 lone 3 65 - 4 - HG3 GLN 83 - HA GLU 89 lone 2 92 - 3 - HB2 LEU 38 - HA GLU 89 lone 2 97 - 2 - HB2 GLU 21 - HA GLU 89 lone 2 94 - 2 - HG2 GLU 21 - HA GLU 89 lone 1 100 - 1 - HG3 GLU 21 - HA GLU 89 lone 1 100 - 1 - HG2 GLU 52 - HA GLU 89 lone 1 97 - 1 - Peak 8182 from cnoeabs.peaks (4.15, 2.11, 28.93 ppm; 3.85 A): 2 out of 24 assignments used, quality = 0.85: * HA GLU 89 + HB3 GLU 92 OK 76 100 - 76 - 8181=21, 8180/1.8=20...(22) HA ARG 95 + HB3 GLU 92 OK 39 100 - 39 - 8180/1.8=12, 8223/4.0=6...(12) HA GLN 122 - HB3 GLU 119 lone 7 76 - 9 - ~8289=2, ~2231=2, ~772=1...(5) HA GLU 89 - HB3 GLU 119 lone 6 93 - 6 - 8181=2, 8181/1.8=1 HA GLN 122 - HB3 GLU 92 lone 6 87 - 7 - 8180/1.8=2, 2144/4.0=1 HA GLN 122 - HB2 GLU 119 lone 6 65 - 9 - ~8289=2, ~2231=2, ~772=1...(5) HA GLU 89 - HB2 GLU 119 lone 5 82 - 6 - 8181=2, 8181/1.8=1 HA ALA 124 - HB3 GLU 92 lone 5 100 - 5 - 2144/4.0=2, 8180/1.8=1 HA ARG 95 - HB3 GLU 119 lone 4 92 - 4 - HA LEU 63 - HB3 GLU 92 lone 4 84 - 4 - HA LEU 70 - HB3 GLU 92 lone 3 81 - 4 - HA ARG 95 - HB2 GLU 119 lone 3 81 - 4 - HA LEU 45 - HB3 GLU 92 lone 3 100 - 3 - HA VAL 22 - HB3 GLU 92 lone 2 77 - 2 - HA LEU 45 - HB3 GLU 119 lone 1 93 - 1 - HA LEU 63 - HB3 GLU 119 lone 1 73 - 1 - HA ALA 124 - HB3 GLU 119 lone 1 92 - 1 - HA LEU 45 - HB2 GLU 119 lone 1 82 - 1 - HA LEU 63 - HB2 GLU 119 lone 1 63 - 1 - HA VAL 22 - HB3 GLU 119 lone 1 66 - 1 - HA ALA 124 - HB2 GLU 119 lone 1 81 - 1 - HA VAL 22 - HB2 GLU 119 lone 1 57 - 1 - HA LEU 70 - HB3 GLU 119 lone 0 70 - 1 - HA LEU 70 - HB2 GLU 119 lone 0 60 - 1 - Peak 8185 from cnoeabs.peaks (8.10, 4.21, 56.94 ppm; 4.26 A): 2 out of 6 assignments used, quality = 0.75: * H PHE 93 + HA LEU 90 OK 65 100 - 65 - 2149=35, 3.6/8188=20...(5) H GLU 92 + HA LEU 90 OK 29 77 - 38 - 573/3.6=18, 4.6/2149=15...(8) H SER 99 - HA LEU 90 lone 4 99 - 4 - 1934/3.6=3 H ALA 113 - HA LEU 90 lone 2 77 - 3 - H GLU 128 - HA LEU 90 lone 2 61 - 3 - 1934/3.6=2 H VAL 117 - HA LEU 90 lone 1 65 - 2 - Peak 8186 from cnoeabs.peaks (3.29, 4.21, 56.94 ppm; 5.47 A): 1 out of 1 assignment used, quality = 0.81: * HB2 PHE 93 + HA LEU 90 OK 81 100 - 82 - 1.8/8188=40, 8187=36...(6) Peak 8187 from cnoeabs.peaks (4.21, 3.29, 38.99 ppm; 5.08 A): 2 out of 2 assignments used, quality = 0.86: * HA LEU 90 + HB2 PHE 93 OK 80 100 - 80 - 8186=40, 8188/1.8=37...(6) HB THR 108 + HB2 PHE 93 OK 31 84 - 37 - 8189/1.8=11, 2149/3.6=10...(6) Peak 8188 from cnoeabs.peaks (3.04, 4.21, 56.94 ppm; 4.76 A): 1 out of 4 assignments used, quality = 0.74: * HB3 PHE 93 + HA LEU 90 OK 74 100 - 74 - 8189=32, 1.8/8186=31...(7) HE2 LYS 94 - HA LEU 90 poor 10 70 - 14 - 6.9/2155=9, 11308/3.9=1 HB2 PHE 51 - HA LEU 90 lone 3 94 - 3 - 8189=1 HB2 ASN 11 - HA LEU 90 lone 1 94 - 1 - Peak 8189 from cnoeabs.peaks (4.21, 3.04, 38.99 ppm; 4.88 A): 2 out of 4 assignments used, quality = 0.85: * HA LEU 90 + HB3 PHE 93 OK 79 100 - 79 - 8188=42, 8186/1.8=33...(7) HB THR 108 + HB3 PHE 93 OK 30 84 - 35 - 8187/1.8=11, 2149/3.6=9...(6) HA LEU 90 - HB2 PHE 51 lone 3 87 - 3 - 8188=1 HB THR 108 - HB2 PHE 51 lone 3 67 - 4 - ~10329=3 Peak 8190 from cnoeabs.peaks (8.61, 4.21, 56.94 ppm; 6.20 A): 4 out of 8 assignments used, quality = 0.93: * H LYS 94 + HA LEU 90 OK 88 100 - 88 - 4.3/8186=35, 2155=35...(10) H THR 108 + HA LEU 90 OK 22 100 - 22 - 689/3.9=5, 1717=3...(6) H ALA 124 + HA LEU 90 OK 15 99 - 15 - 1967/3.6=8, 2240/3.0=6 H GLN 85 + HA LEU 90 OK 13 90 - 15 - 10029/3.9=12 H ILE 71 - HA LEU 90 lone 5 96 - 5 - 4.7/5780=1, 4.7/5780=1 H LYS 49 - HA LEU 90 lone 3 100 - 3 - H LEU 80 - HA LEU 90 lone 3 99 - 3 - H ASP 12 - HA LEU 90 lone 1 57 - 3 - Peak 8192 from cnoeabs.peaks (8.61, 4.07, 59.13 ppm; 4.15 A): 3 out of 32 assignments used, quality = 0.68: * H LYS 94 + HA GLU 91 OK 51 100 - 52 - 2154=20, 3.9/8194=9...(11) H LYS 94 + HA LYS 96 OK 27 70 - 38 - 2154=13, 2156/2.9=9...(7) H ALA 124 + HA GLU 91 OK 11 99 - 11 - 1967/2.9=5, 2146/3.6=3, ~2137=1 H LYS 94 - HA LYS 43 poor 8 32 - 24 - 2154=7, 3.9/8194=4...(9) H THR 108 - HA GLU 91 lone 5 100 - 5 - 2146/3.6=3 H ALA 124 - HA LYS 96 lone 5 67 - 7 - 2163/2.9=2 H ILE 71 - HA LYS 96 lone 4 63 - 7 - 2163/2.9=2, 437/4.0=1 H LEU 80 - HA GLU 91 lone 3 99 - 3 - 2146/3.6=2 H LYS 94 - HA GLU 37 lone 3 60 - 4 - 2154=1 H ILE 71 - HA GLU 91 lone 2 96 - 2 - H GLN 85 - HA GLU 91 lone 2 90 - 2 - H GLN 85 - HA LYS 96 lone 2 57 - 3 - H ALA 124 - HA LYS 43 lone 2 30 - 5 - 787/3.0=1 H LEU 80 - HA LYS 96 lone 1 67 - 2 - H LYS 49 - HA GLU 91 lone 1 100 - 1 - H ILE 71 - HA GLU 37 lone 1 53 - 2 - H LYS 49 - HA LYS 96 lone 1 70 - 1 - H THR 108 - HA LYS 96 lone 1 70 - 1 - H GLN 85 - HA GLU 37 lone 1 48 - 1 - H THR 108 - HA GLU 37 lone 1 59 - 1 - H ILE 71 - HA LYS 43 lone 1 28 - 2 - H ALA 124 - HA GLU 37 lone 1 57 - 1 - H ASP 12 - HA GLU 91 lone 0 57 - 1 - H LYS 49 - HA GLU 37 lone 0 60 - 1 - H LEU 80 - HA GLU 37 lone 0 57 - 1 - H ASP 12 - HA LYS 96 lone 0 33 - 1 - H LEU 80 - HA LYS 43 lone 0 30 - 1 - H THR 108 - HA LYS 43 lone 0 32 - 1 - H LYS 49 - HA LYS 43 lone 0 32 - 1 - H ASP 12 - HA LYS 43 lone 0 14 - 1 - H GLN 85 - HA LYS 43 lone 0 25 - 1 - H ASP 12 - HA GLU 37 lone 0 27 - 1 - Peak 8193 from cnoeabs.peaks (2.07, 4.07, 59.13 ppm; 2.78 A): 3 out of 56 assignments used, quality = 0.94: HB3 GLU 91 + HA GLU 91 OK 92 100 - 92 - 3.0=79, 3.0/5821=15...(14) * HB2 LYS 94 + HA GLU 91 OK 26 100 - 26 - 1.8/8195=7, 8194=5...(10) HB2 GLU 92 + HA GLU 91 OK 11 70 - 16 - 4.0/574=9, 1600/2.9=2, ~1599=1 HB2 LYS 94 - HA LYS 96 poor 9 70 - 13 - 4.4/8197=3, 1.8/8195=3...(5) HB2 GLU 47 - HA GLU 91 lone 6 81 - 7 - 3.0/11350=2, 1.8/8093=1 HB3 PHE 79 - HA GLU 91 lone 4 99 - 4 - HB2 LYS 94 - HA LYS 43 poor 4 32 - 11 - 8194=2, 1.8/8196=2...(7) HG2 GLU 119 - HA GLU 91 lone 3 98 - 3 - 576/3.6=1 HB3 GLU 98 - HA LYS 96 lone 3 41 - 8 - 4.3/2178=5 HB2 GLU 47 - HA GLU 37 lone 3 41 - 8 - 1.8/8093=2, 8091=1...(4) HB2 GLU 13 - HA GLU 91 lone 3 98 - 3 - 576/3.6=1 HB3 GLU 98 - HA GLU 91 lone 3 70 - 4 - 4.3/2178=2, ~10159=1 HB3 GLU 98 - HA GLU 37 lone 2 34 - 7 - 3.0/3505=1 HB3 GLU 91 - HA LYS 96 lone 2 70 - 3 - 5830=1 HB2 GLU 47 - HA LYS 96 lone 1 49 - 3 - HB3 MET 121 - HA GLU 91 lone 1 97 - 1 - HB3 GLU 69 - HA GLU 37 lone 1 30 - 4 - 3.0/5022=1 HB3 GLU 112 - HA GLU 91 lone 1 84 - 1 - HB2 LYS 94 - HA GLU 37 lone 1 60 - 1 - HB2 GLU 112 - HA GLU 91 lone 1 81 - 1 - HB2 GLU 92 - HA LYS 96 lone 1 41 - 2 - HB3 GLU 91 - HA GLU 37 lone 1 60 - 1 - HB2 GLN 28 - HA GLU 91 lone 1 96 - 1 - HB3 GLU 69 - HA GLU 91 lone 1 61 - 1 - HB2 GLU 103 - HA GLU 91 lone 1 70 - 1 - HB3 PHE 79 - HA LYS 96 lone 0 67 - 1 - HB2 GLU 13 - HA LYS 96 lone 0 66 - 1 - HB3 GLU 112 - HA GLU 37 lone 0 44 - 1 - HB2 GLU 112 - HA GLU 37 lone 0 41 - 1 - HB2 GLU 92 - HA GLU 37 lone 0 34 - 1 - HB3 PHE 79 - HA GLU 37 lone 0 57 - 1 - HB2 GLU 13 - HA GLU 37 lone 0 56 - 1 - HG2 GLU 119 - HA LYS 96 lone 0 66 - 0 - HB3 GLU 112 - HA LYS 96 lone 0 52 - 0 - HB3 GLU 91 - HA LYS 43 lone 0 32 - 1 - HB2 GLU 112 - HA LYS 96 lone 0 49 - 0 - HB3 GLU 69 - HA LYS 43 lone 0 15 - 2 - HB3 GLU 69 - HA LYS 96 lone 0 36 - 1 - HB3 MET 121 - HA LYS 96 lone 0 65 - 0 - HB2 GLN 28 - HA LYS 96 lone 0 63 - 0 - HG2 GLU 119 - HA GLU 37 lone 0 56 - 0 - HB2 GLU 47 - HA LYS 43 lone 0 21 - 1 - HB2 GLN 28 - HA GLU 37 lone 0 53 - 0 - HB2 GLU 13 - HA LYS 43 lone 0 30 - 0 - HB3 MET 121 - HA GLU 37 lone 0 55 - 0 - HB2 GLU 103 - HA LYS 96 lone 0 41 - 0 - HB3 PHE 79 - HA LYS 43 lone 0 30 - 0 - HB2 GLU 92 - HA LYS 43 lone 0 17 - 1 - HB3 MET 121 - HA LYS 43 lone 0 29 - 0 - HG2 GLU 119 - HA LYS 43 lone 0 30 - 0 - HB2 GLU 103 - HA GLU 37 lone 0 34 - 0 - HB2 GLN 28 - HA LYS 43 lone 0 28 - 0 - HB3 GLU 112 - HA LYS 43 lone 0 23 - 0 - HB2 GLU 112 - HA LYS 43 lone 0 21 - 0 - HB3 GLU 98 - HA LYS 43 lone 0 17 - 0 - HB2 GLU 103 - HA LYS 43 lone 0 17 - 0 - Peak 8194 from cnoeabs.peaks (4.07, 2.07, 32.47 ppm; 4.36 A): 4 out of 8 assignments used, quality = 0.75: * HA GLU 91 + HB2 LYS 94 OK 50 100 - 50 - 8195/1.8=14, 2154/3.9=11...(11) HA LYS 96 + HB2 LYS 94 OK 27 96 - 29 - 8197/4.4=8, 8196/1.8=8...(5) HA LYS 43 + HB2 LYS 94 OK 21 77 - 27 - 8196/1.8=6, 11105/3.0=4...(8) HA LYS 44 + HB2 LYS 94 OK 12 87 - 13 - 8196/1.8=3, ~256=2...(6) HA GLU 69 - HB2 LYS 94 lone 4 65 - 7 - 2154/3.9=1, ~423=1, 8196/1.8=1 HA LYS 20 - HB2 LYS 94 lone 4 81 - 5 - 8196/1.8=1 HA GLU 37 - HB2 LYS 94 lone 3 81 - 4 - HA3 GLY 125 - HB2 LYS 94 lone 3 92 - 3 - 2154/3.9=1 Peak 8195 from cnoeabs.peaks (1.74, 4.07, 59.13 ppm; 3.40 A): 3 out of 52 assignments used, quality = 0.62: * HB3 LYS 94 + HA GLU 91 OK 34 100 - 34 - 1.8/8194=9, 8196=7...(10) HB3 LEU 90 + HA GLU 91 OK 32 84 - 39 - ~568=12, 569/2.9=11...(6) HB3 LYS 94 + HA LYS 96 OK 14 70 - 20 - 1.8/8194=5, 4.4/8197=5...(5) HB3 LYS 94 - HA LYS 43 poor 6 32 - 18 - 1.8/8194=4, 8196=3...(9) HB2 LYS 106 - HA GLU 91 lone 5 61 - 9 - 3.6/11540=3, 3.6/11540=3...(4) HD3 LYS 123 - HA LYS 96 lone 4 52 - 7 - HB3 LEU 82 - HA GLU 91 lone 3 100 - 3 - 569/2.9=1 HB3 LYS 94 - HA GLU 37 lone 1 60 - 2 - HB2 LEU 114 - HA GLU 91 lone 1 100 - 1 - HG12 ILE 15 - HA GLU 37 lone 1 51 - 2 - HB2 LYS 106 - HA LYS 96 lone 1 36 - 2 - HB2 LEU 80 - HA GLU 91 lone 1 65 - 1 - HB2 LEU 68 - HA GLU 91 lone 1 87 - 1 - HB2 LEU 114 - HA LYS 96 lone 1 70 - 1 - HB3 LEU 82 - HA LYS 96 lone 1 70 - 1 - HB3 LEU 90 - HA GLU 37 lone 1 44 - 1 - HD3 LYS 123 - HA GLU 91 lone 1 84 - 1 - HB2 LEU 68 - HA LYS 96 lone 1 55 - 1 - HB2 LEU 68 - HA LYS 43 lone 1 24 - 2 - HG12 ILE 15 - HA GLU 91 lone 0 94 - 1 - HG2 ARG 118 - HA GLU 91 lone 0 98 - 0 - HD3 LYS 123 - HA LYS 43 lone 0 23 - 2 - HB2 LEU 80 - HA LYS 96 lone 0 39 - 1 - HG2 LYS 17 - HA LYS 96 lone 0 33 - 1 - HB3 LEU 90 - HA LYS 96 lone 0 52 - 1 - HB2 LEU 114 - HA GLU 37 lone 0 60 - 1 - HB3 LYS 49 - HA GLU 91 lone 0 57 - 1 - HG2 ARG 118 - HA LYS 96 lone 0 66 - 0 - HB3 LYS 49 - HA LYS 96 lone 0 33 - 1 - HB3 LEU 82 - HA GLU 37 lone 0 60 - 0 - HG3 ARG 105 - HA GLU 91 lone 0 70 - 0 - HB2 LEU 68 - HA GLU 37 lone 0 46 - 1 - HG12 ILE 15 - HA LYS 96 lone 0 61 - 0 - HG2 LYS 17 - HA GLU 91 lone 0 57 - 0 - HB2 LYS 106 - HA GLU 37 lone 0 30 - 1 - HD3 LYS 123 - HA GLU 37 lone 0 44 - 0 - HG2 ARG 118 - HA GLU 37 lone 0 56 - 0 - HB3 LEU 82 - HA LYS 43 lone 0 32 - 1 - HG3 ARG 105 - HA LYS 96 lone 0 41 - 0 - HB2 LEU 114 - HA LYS 43 lone 0 32 - 0 - HG2 LYS 17 - HA LYS 43 lone 0 14 - 1 - HB2 LYS 106 - HA LYS 43 lone 0 15 - 1 - HB2 LEU 80 - HA GLU 37 lone 0 32 - 0 - HB3 LYS 49 - HA GLU 37 lone 0 27 - 0 - HB3 LEU 90 - HA LYS 43 lone 0 23 - 1 - HG2 ARG 118 - HA LYS 43 lone 0 30 - 0 - HG3 ARG 105 - HA GLU 37 lone 0 34 - 0 - HG12 ILE 15 - HA LYS 43 lone 0 27 - 0 - HG2 LYS 17 - HA GLU 37 lone 0 27 - 0 - HB2 LEU 80 - HA LYS 43 lone 0 16 - 1 - HB3 LYS 49 - HA LYS 43 lone 0 14 - 0 - HG3 ARG 105 - HA LYS 43 lone 0 17 - 0 - Peak 8196 from cnoeabs.peaks (4.07, 1.74, 32.47 ppm; 4.77 A): 4 out of 8 assignments used, quality = 0.82: * HA GLU 91 + HB3 LYS 94 OK 57 100 - 58 - 8194/1.8=18, 8195=15...(10) HA LYS 96 + HB3 LYS 94 OK 34 96 - 36 - 8197/4.4=10, 8194/1.8=10...(6) HA LYS 43 + HB3 LYS 94 OK 25 77 - 32 - 8194/1.8=7, 11105/3.0=5...(9) HA LYS 44 + HB3 LYS 94 OK 13 87 - 15 - 8194/1.8=4, ~256=3...(5) HA LYS 20 - HB3 LYS 94 lone 5 81 - 6 - 8194/1.8=1, 11105/3.0=1 HA GLU 69 - HB3 LYS 94 lone 5 65 - 7 - 2.9/423=2, 2154/3.9=2 HA GLU 37 - HB3 LYS 94 lone 4 81 - 5 - 8194/1.8=1 HA3 GLY 125 - HB3 LYS 94 lone 4 92 - 4 - 2154/3.9=1, 8194/1.8=1 Peak 8197 from cnoeabs.peaks (8.16, 4.07, 59.13 ppm; 3.83 A): 4 out of 8 assignments used, quality = 0.68: H ARG 95 + HA LYS 96 OK 36 70 - 52 - 1938/2.9=22, 1630/3.0=10...(14) * H ARG 95 + HA GLU 91 OK 26 100 - 26 - 4.5/2154=7, 4.4/8194=7...(6) H LEU 45 + HA LYS 96 OK 19 70 - 28 - 603/2.9=9, 266/4.0=6...(7) H LEU 45 + HA LYS 43 OK 17 32 - 54 - 261/3.6=28, 11317/3.0=15...(9) H ARG 95 - HA LYS 43 poor 9 32 - 28 - 2057/3.0=5, 1889/3.6=4...(12) H LEU 45 - HA GLU 91 lone 3 100 - 3 - H ARG 95 - HA GLU 37 lone 2 60 - 3 - H LEU 45 - HA GLU 37 lone 1 59 - 1 - Peak 8199 from cnoeabs.peaks (8.16, 4.03, 59.25 ppm; 4.20 A): 3 out of 10 assignments used, quality = 0.67: * H ARG 95 + HA GLU 92 OK 48 100 - 48 - 2159=16, 3.9/8202=10...(12) H ARG 95 + HA GLU 66 OK 29 87 - 33 - 2159=11, 3.9/8202=7...(9) H ARG 95 + HA LYS 123 OK 11 93 - 12 - 2159=4, 593/3.6=2, 3.9/8202=2 H LEU 45 - HA LYS 123 lone 8 93 - 9 - 265/3.9=2, 4.7/8065=1 H LEU 45 - HA GLU 66 lone 7 87 - 8 - 4.6/2107=1, 6031/8202=1 H LEU 45 - HA GLU 92 lone 6 100 - 6 - 6031/8202=2 H ARG 95 - HA GLU 13 lone 6 64 - 8 - 2159=3, 595/3.0=1 H ARG 95 - HA GLU 119 lone 4 59 - 7 - 2159=2 H LEU 45 - HA GLU 119 lone 1 58 - 2 - H LEU 45 - HA GLU 13 lone 1 64 - 2 - Peak 8200 from cnoeabs.peaks (1.90, 4.03, 59.25 ppm; 2.89 A): 3 out of 105 assignments used, quality = 0.74: HB3 LYS 123 + HA LYS 123 OK 59 60 - 99 - 2.9=98, 3.8/7073=7...(19) * HB2 ARG 95 + HA GLU 92 OK 24 100 - 24 - 1.8/8203=5, 3.9/8199=4...(12) HB2 ARG 95 + HA GLU 66 OK 16 87 - 18 - 1.8/8203=4, 8201=3...(7) HB3 LYS 44 - HA LYS 123 poor 10 84 - 12 - 8065=2, 1.8/8065=2 HB2 GLU 128 - HA GLU 92 lone 10 99 - 10 - 8201=2, 7229/3.0=2...(5) HB2 LYS 44 - HA LYS 123 poor 8 70 - 12 - 8065=2, 1.8/8065=2 QE MET 67 - HA GLU 66 poor 8 54 - 15 - 4948/3.6=5, 4951/3.0=2...(7) HB3 LYS 16 - HA GLU 13 poor 6 40 - 15 - 4.7/1989=3, 1.8/7971=3...(6) HB2 LYS 16 - HA GLU 13 poor 6 38 - 15 - 4.7/1989=3, 1.8/7971=3...(6) HB2 LYS 96 - HA LYS 123 lone 4 92 - 5 - 8067=1 HB3 LYS 43 - HA LYS 123 lone 4 92 - 5 - HB2 ARG 95 - HA LYS 123 lone 4 93 - 4 - 3.9/8199=1 HB ILE 71 - HA LYS 123 lone 4 93 - 5 - 5076/3.6=2 HB3 LYS 16 - HA LYS 123 lone 4 63 - 6 - 1.8/7971=1 HB2 LYS 43 - HA LYS 123 lone 4 82 - 5 - HB2 LYS 16 - HA LYS 123 lone 4 60 - 6 - 1.8/7971=1 HB3 LYS 123 - HA GLU 66 lone 3 54 - 6 - HB2 GLU 128 - HA GLU 66 lone 3 85 - 4 - QE MET 67 - HA LYS 123 lone 2 60 - 4 - HB2 LEU 45 - HA LYS 123 lone 2 88 - 3 - HB2 LEU 45 - HA GLU 92 lone 2 97 - 2 - HB2 LYS 49 - HA LYS 123 lone 2 93 - 2 - HB3 LYS 16 - HA GLU 119 lone 2 36 - 6 - HB2 LEU 45 - HA GLU 66 lone 2 81 - 3 - HB2 ARG 95 - HA GLU 13 lone 2 64 - 3 - HB3 LYS 43 - HA GLU 119 lone 2 57 - 3 - 4.0/2055=1 HB2 GLU 128 - HA LYS 123 lone 2 92 - 2 - HB2 LYS 16 - HA GLU 119 lone 2 34 - 6 - HB3 LYS 16 - HA GLU 66 lone 2 57 - 3 - HB2 ARG 95 - HA GLU 119 lone 2 59 - 3 - HB2 LYS 16 - HA GLU 66 lone 2 54 - 3 - HB3 LYS 43 - HA GLU 66 lone 2 85 - 2 - HB3 LYS 16 - HA GLU 92 lone 2 73 - 2 - HB2 LYS 43 - HA GLU 119 lone 2 49 - 3 - 4.0/2055=1 HB2 LYS 96 - HA GLU 92 lone 2 99 - 2 - HB2 LYS 16 - HA GLU 92 lone 2 70 - 2 - HG LEU 45 - HA GLU 92 lone 2 77 - 2 - HB2 LYS 43 - HA GLU 66 lone 1 75 - 2 - HB2 LYS 73 - HA LYS 123 lone 1 93 - 2 - HB ILE 15 - HA GLU 13 lone 1 35 - 4 - ~10766=2, 4.5/1983=1 HB2 LYS 96 - HA GLU 66 lone 1 85 - 2 - HG LEU 45 - HA GLU 66 lone 1 61 - 2 - HB3 LYS 44 - HA GLU 92 lone 1 94 - 1 - HB3 LYS 44 - HA GLU 66 lone 1 77 - 2 - HG LEU 45 - HA LYS 123 lone 1 67 - 2 - HB ILE 71 - HA GLU 66 lone 1 87 - 1 - HB2 LYS 44 - HA GLU 92 lone 1 81 - 1 - HB3 LYS 43 - HA GLU 92 lone 1 99 - 1 - HB3 LYS 73 - HA LYS 123 lone 1 92 - 1 - HB3 LYS 20 - HA LYS 123 lone 1 88 - 1 - HB2 LYS 20 - HA LYS 123 lone 1 88 - 1 - HB2 LYS 43 - HA GLU 92 lone 1 92 - 1 - HB2 LYS 44 - HA GLU 66 lone 1 64 - 2 - HB ILE 15 - HA LYS 123 lone 1 56 - 2 - HB2 LYS 73 - HA GLU 66 lone 1 87 - 1 - HB3 LYS 73 - HA GLU 66 lone 1 86 - 1 - HB3 LYS 123 - HA GLU 92 lone 1 70 - 1 - HB2 LYS 20 - HA GLU 13 lone 1 59 - 1 - HB3 LYS 20 - HA GLU 13 lone 1 59 - 1 - HB2 LYS 20 - HA GLU 66 lone 1 81 - 1 - HB3 LYS 20 - HA GLU 66 lone 1 81 - 1 - HB3 LYS 20 - HA GLU 119 lone 1 53 - 1 - HB2 LYS 20 - HA GLU 119 lone 1 53 - 1 - QE MET 67 - HA GLU 92 lone 1 70 - 1 - HB2 LEU 45 - HA GLU 119 lone 1 53 - 1 - HB2 LYS 73 - HA GLU 92 lone 1 100 - 1 - HB3 LYS 73 - HA GLU 92 lone 1 100 - 1 - HB ILE 7 - HA GLU 13 lone 1 62 - 1 - HB2 LYS 20 - HA GLU 92 lone 1 97 - 1 - HB3 LYS 20 - HA GLU 92 lone 1 97 - 1 - HB2 LYS 73 - HA GLU 13 lone 1 64 - 1 - HB3 LYS 73 - HA GLU 13 lone 1 63 - 1 - HB3 LYS 43 - HA GLU 13 lone 1 63 - 1 - HB ILE 7 - HA GLU 66 lone 1 84 - 1 - HB2 LEU 45 - HA GLU 13 lone 1 59 - 1 - HB ILE 7 - HA GLU 92 lone 0 99 - 0 - HB2 LYS 73 - HA GLU 119 lone 0 58 - 1 - HB3 LYS 73 - HA GLU 119 lone 0 58 - 1 - HB2 LYS 43 - HA GLU 13 lone 0 54 - 1 - HG LEU 45 - HA GLU 119 lone 0 38 - 1 - HB ILE 71 - HA GLU 92 lone 0 100 - 0 - HB ILE 15 - HA GLU 92 lone 0 65 - 1 - HB ILE 15 - HA GLU 66 lone 0 51 - 1 - HB3 LYS 44 - HA GLU 119 lone 0 50 - 1 - HB ILE 15 - HA GLU 119 lone 0 31 - 1 - HB ILE 7 - HA GLU 119 lone 0 56 - 1 - HG LEU 45 - HA GLU 13 lone 0 43 - 1 - HB3 LYS 44 - HA GLU 13 lone 0 56 - 1 - HB3 LYS 123 - HA GLU 119 lone 0 34 - 1 - HB2 GLU 128 - HA GLU 13 lone 0 63 - 1 - HB2 LYS 49 - HA GLU 66 lone 0 87 - 0 - HB2 LYS 49 - HA GLU 92 lone 0 100 - 0 - HB2 LYS 44 - HA GLU 119 lone 0 40 - 1 - HB3 LYS 123 - HA GLU 13 lone 0 38 - 1 - HB2 GLU 128 - HA GLU 119 lone 0 57 - 1 - HB ILE 7 - HA LYS 123 lone 0 90 - 0 - HB2 LYS 96 - HA GLU 13 lone 0 63 - 0 - HB2 LYS 44 - HA GLU 13 lone 0 45 - 1 - HB2 LYS 96 - HA GLU 119 lone 0 57 - 0 - QE MET 67 - HA GLU 13 lone 0 38 - 1 - HB ILE 71 - HA GLU 13 lone 0 64 - 0 - HB2 LYS 49 - HA GLU 13 lone 0 64 - 0 - QE MET 67 - HA GLU 119 lone 0 34 - 1 - HB2 LYS 49 - HA GLU 119 lone 0 58 - 0 - HB ILE 71 - HA GLU 119 lone 0 58 - 0 - Peak 8201 from cnoeabs.peaks (4.03, 1.90, 29.82 ppm; 3.85 A): 7 out of 24 assignments used, quality = 0.87: * HA GLU 92 + HB2 ARG 95 OK 44 100 - 44 - 8202/1.8=14, 8199/3.9=8...(12) HA GLU 66 + HB2 ARG 95 OK 34 98 - 35 - 8202/1.8=10, 8199/3.9=5...(12) HA LYS 40 + HB2 ARG 95 OK 29 92 - 32 - 3.0/7789=6, 8203/1.8=5...(10) HA GLU 92 + HB2 GLU 128 OK 19 99 - 19 - 8202/1.8=4, 3.0/7229=3...(6) HB3 SER 126 + HB2 GLU 128 OK 16 98 - 16 - 10638/4.0=5, 4.0/10639=3...(7) HA2 GLY 125 + HB2 GLU 128 OK 16 54 - 29 - ~8329=8, ~8328=5...(8) HB2 SER 126 + HB2 GLU 128 OK 14 91 - 16 - 10638/4.0=4, 4.0/10639=3...(7) HA LYS 123 - HB2 ARG 95 lone 9 97 - 9 - 8202/1.8=2, 8199/3.9=2 HA GLU 66 - HB2 GLU 128 lone 8 96 - 8 - ~8116=2, ~2090=2, 8202/1.8=1 HB3 SER 126 - HB2 ARG 95 lone 7 100 - 7 - 4.0/10639=1 HB2 SER 126 - HB2 ARG 95 lone 7 94 - 8 - 4.0/10639=1, 8203/1.8=1 HA GLU 119 - HB2 ARG 95 lone 6 99 - 6 - 8203/1.8=1 HA GLU 13 - HB2 ARG 95 lone 6 98 - 6 - 8202/1.8=1, 2159/3.9=1 HA GLU 87 - HB2 ARG 95 lone 5 100 - 5 - HA2 GLY 125 - HB2 ARG 95 lone 5 57 - 8 - 3.6/10639=1, 1.8/8326=1 HA LYS 123 - HB2 GLU 128 lone 4 94 - 4 - HA PHE 120 - HB2 ARG 95 lone 4 92 - 4 - HA SER 35 - HB2 ARG 95 lone 3 81 - 3 - HA LYS 40 - HB2 GLU 128 lone 3 89 - 3 - HA PHE 120 - HB2 GLU 128 lone 2 89 - 2 - HA GLU 87 - HB2 GLU 128 lone 2 98 - 2 - HA GLU 119 - HB2 GLU 128 lone 1 97 - 1 - HA SER 35 - HB2 GLU 128 lone 1 77 - 1 - HA GLU 13 - HB2 GLU 128 lone 1 96 - 1 - Peak 8202 from cnoeabs.peaks (1.97, 4.03, 59.25 ppm; 2.93 A): 0 out of 40 assignments used, low quality = 0.35: ! HB3 ARG 95 - HA GLU 92 OK 23 100 - 23 - 8203=5, 3.9/8199=4...(12) HB3 ARG 95 - HA GLU 66 OK 16 87 - 19 - 8203=4, 1.8/8201=3...(7) HB3 GLU 128 - HA GLU 92 lone 7 73 - 9 - 1.8/8201=2, 7235/3.0=1...(4) HB3 GLU 103 - HA GLU 92 lone 4 70 - 5 - 3.0/5852=1 HB3 ARG 95 - HA LYS 123 lone 4 93 - 4 - 3.9/8199=1 HB3 LYS 96 - HA LYS 123 lone 3 93 - 4 - HB3 ARG 95 - HA GLU 13 lone 2 64 - 3 - HB3 GLU 128 - HA GLU 66 lone 2 57 - 4 - HB3 LYS 96 - HA GLU 92 lone 2 100 - 2 - HB3 ARG 95 - HA GLU 119 lone 2 59 - 3 - HB3 LYS 96 - HA GLU 66 lone 2 87 - 2 - HB VAL 22 - HA GLU 66 lone 1 64 - 2 - HB3 GLU 128 - HA LYS 123 lone 1 63 - 1 - HB VAL 22 - HA GLU 92 lone 0 81 - 1 - HB3 GLU 21 - HA GLU 92 lone 0 100 - 0 - HB3 GLU 103 - HA GLU 66 lone 0 54 - 1 - HB3 GLU 21 - HA GLU 66 lone 0 86 - 0 - HB3 GLU 21 - HA LYS 123 lone 0 92 - 0 - HB3 GLU 103 - HA LYS 123 lone 0 60 - 1 - HB3 GLU 103 - HA GLU 119 lone 0 34 - 1 - HB3 LYS 96 - HA GLU 13 lone 0 64 - 0 - HB VAL 29 - HA GLU 66 lone 0 54 - 1 - HB3 LYS 96 - HA GLU 119 lone 0 58 - 0 - HB3 GLU 21 - HA GLU 119 lone 0 58 - 0 - HB3 GLU 52 - HA GLU 92 lone 0 65 - 0 - HB VAL 29 - HA LYS 123 lone 0 60 - 0 - HB3 GLU 52 - HA GLU 66 lone 0 51 - 0 - HB VAL 22 - HA LYS 123 lone 0 70 - 0 - HB3 GLU 128 - HA GLU 13 lone 0 40 - 1 - HB3 GLU 103 - HA GLU 13 lone 0 38 - 1 - HB VAL 22 - HA GLU 119 lone 0 40 - 0 - HB3 GLU 21 - HA GLU 13 lone 0 63 - 0 - HB3 GLU 128 - HA GLU 119 lone 0 36 - 0 - HB VAL 29 - HA GLU 92 lone 0 70 - 0 - HB3 GLU 52 - HA LYS 123 lone 0 56 - 0 - HB VAL 22 - HA GLU 13 lone 0 45 - 0 - HB VAL 29 - HA GLU 13 lone 0 38 - 0 - HB3 GLU 52 - HA GLU 13 lone 0 35 - 0 - HB3 GLU 52 - HA GLU 119 lone 0 31 - 0 - HB VAL 29 - HA GLU 119 lone 0 34 - 0 - Peak 8203 from cnoeabs.peaks (4.03, 1.97, 29.82 ppm; 4.00 A): 4 out of 24 assignments used, quality = 0.80: * HA GLU 92 + HB3 ARG 95 OK 46 100 - 46 - 8202=15, 8199/3.9=9...(12) HA GLU 66 + HB3 ARG 95 OK 38 98 - 39 - 8202=11, 8201/1.8=6...(13) HA LYS 40 + HB3 ARG 95 OK 28 92 - 30 - 3.0/7790=7, 8201/1.8=5...(9) HA PHE 120 + HB VAL 22 OK 18 52 - 34 - ~10870=14, ~10868=5...(9) HA LYS 123 - HB3 ARG 95 lone 9 97 - 9 - 8202=3, 8199/3.9=2, 8201/1.8=1 HA GLU 13 - HB3 ARG 95 lone 7 98 - 7 - 8202=1, 2159/3.9=1 HA GLU 119 - HB3 ARG 95 lone 6 99 - 6 - 8202=1, 2159/3.9=1 HB2 SER 126 - HB3 ARG 95 lone 5 94 - 6 - 8201/1.8=1 HB3 SER 126 - HB3 ARG 95 lone 5 100 - 5 - 8201/1.8=1 HA GLU 87 - HB3 ARG 95 lone 4 100 - 4 - HA2 GLY 125 - HB3 ARG 95 lone 4 57 - 7 - ~8327=1 HA PHE 120 - HB3 ARG 95 lone 4 92 - 4 - 2159/3.9=1 HA GLU 66 - HB VAL 22 lone 3 59 - 5 - ~10867=1 HA SER 35 - HB3 ARG 95 lone 3 81 - 4 - HA GLU 13 - HB VAL 22 lone 1 59 - 2 - 4.8/7977=1 HA GLU 92 - HB VAL 22 lone 1 63 - 2 - HA GLU 119 - HB VAL 22 lone 1 60 - 1 - HA LYS 40 - HB VAL 22 lone 1 52 - 1 - HA GLU 87 - HB VAL 22 lone 1 62 - 1 - HA SER 35 - HB VAL 22 lone 0 44 - 1 - HA LYS 123 - HB VAL 22 lone 0 57 - 1 - HB3 SER 126 - HB VAL 22 lone 0 62 - 1 - HB2 SER 126 - HB VAL 22 lone 0 54 - 1 - HA2 GLY 125 - HB VAL 22 lone 0 29 - 1 - Peak 8205 from cnoeabs.peaks (8.16, 4.34, 60.45 ppm; 5.02 A): 4 out of 4 assignments used, quality = 0.82: * H ARG 95 + HA PHE 93 OK 57 100 - 57 - 1937/3.6=37, 4.6/8206=9...(9) H ARG 95 + HA SER 99 OK 46 99 - 47 - 4.6/8206=13, ~2179=12...(9) H LEU 45 + HA PHE 93 OK 12 100 - 12 - 1937/3.6=4, 603/8206=2 H LEU 45 + HA SER 99 OK 12 99 - 12 - 603/8206=2, 265/11309=1 Peak 8206 from cnoeabs.peaks (7.79, 4.34, 60.45 ppm; 4.53 A): 4 out of 6 assignments used, quality = 0.91: H LYS 96 + HA SER 99 OK 75 99 - 76 - 4.1/8210=17, 2164=13...(17) * H LYS 96 + HA PHE 93 OK 52 100 - 52 - 2156/3.6=11, 2164=10...(13) H LYS 40 + HA SER 99 OK 15 95 - 16 - 6091/8210=4, 4.7/8211=3...(5) H LYS 40 + HA PHE 93 OK 15 97 - 16 - 2156/3.6=4, 6091/8210=2...(5) H GLU 66 - HA PHE 93 lone 3 70 - 4 - 2156/3.6=2 H GLU 66 - HA SER 99 lone 2 67 - 4 - Peak 8207 from cnoeabs.peaks (1.90, 4.34, 60.45 ppm; 4.21 A): 4 out of 40 assignments used, quality = 0.93: HB2 LYS 96 + HA SER 99 OK 76 99 - 77 - 1.8/8210=24, 8208=16...(17) * HB2 LYS 96 + HA PHE 93 OK 42 100 - 42 - 1.8/8210=12, 8208=8...(9) HB2 ARG 95 + HA SER 99 OK 34 98 - 34 - 4.6/8206=9, ~2179=8...(7) HB2 ARG 95 + HA PHE 93 OK 23 99 - 24 - 3.9/8205=9, 4.6/8206=6...(6) HB3 LYS 20 - HA SER 99 OK 20 87 - 24 - 8208=3, 1.8/8208=3...(12) HB2 LYS 20 - HA SER 99 OK 20 87 - 24 - 8208=3, 1.8/8208=3...(12) HB3 LYS 44 - HA SER 99 lone 8 97 - 9 - 4.7/8205=2, 8208=1, 1.8/8208=1 HB2 LEU 81 - HA PHE 93 poor 8 65 - 12 - 9944/5.6=3, 3.1/10091=3...(5) HB2 LYS 44 - HA SER 99 lone 8 89 - 8 - 4.7/8205=2, 1.8/8208=1, 8208=1 HB3 LYS 44 - HA PHE 93 lone 7 99 - 7 - 4.7/8205=2, 8208=1 HB2 LYS 44 - HA PHE 93 lone 6 92 - 7 - 4.7/8205=2, 1.8/8208=1 HB2 LEU 45 - HA SER 99 lone 5 98 - 5 - 4.0/8205=2, 3997/8205=1 HB3 LYS 20 - HA PHE 93 lone 5 90 - 5 - HB2 LYS 20 - HA PHE 93 lone 5 90 - 5 - HB2 LEU 45 - HA PHE 93 lone 4 100 - 4 - 4.0/8205=2, 3997/8205=2 HB3 LYS 43 - HA SER 99 lone 4 99 - 4 - HB2 LYS 43 - HA SER 99 lone 4 96 - 4 - HB3 LYS 43 - HA PHE 93 lone 4 100 - 4 - HB2 LYS 43 - HA PHE 93 lone 4 98 - 4 - HB2 LYS 73 - HA SER 99 lone 4 96 - 4 - HB3 LYS 73 - HA SER 99 lone 4 95 - 4 - HB2 LYS 73 - HA PHE 93 lone 3 98 - 3 - HB3 LYS 73 - HA PHE 93 lone 3 97 - 3 - HB ILE 71 - HA PHE 93 lone 3 99 - 3 - 5076/3.6=1 HB2 GLU 128 - HA PHE 93 lone 3 100 - 3 - HG LEU 45 - HA PHE 93 lone 2 61 - 4 - 5.0/8205=2 HG LEU 45 - HA SER 99 lone 2 59 - 3 - 5.0/8205=1 HB2 GLU 128 - HA SER 99 lone 2 99 - 2 - HB ILE 7 - HA PHE 93 lone 1 94 - 1 - HB ILE 71 - HA SER 99 lone 1 97 - 1 - HB3 LYS 123 - HA SER 99 lone 1 81 - 1 - HB2 LYS 49 - HA PHE 93 lone 1 100 - 1 - HB3 LYS 123 - HA PHE 93 lone 1 84 - 1 - HB2 LYS 49 - HA SER 99 lone 1 99 - 1 - HB2 LEU 81 - HA SER 99 lone 1 63 - 1 - HB ILE 7 - HA SER 99 lone 1 92 - 1 - HB ILE 15 - HA PHE 93 lone 1 81 - 1 - HG2 MET 121 - HA SER 99 lone 1 71 - 1 - HB ILE 15 - HA SER 99 lone 1 78 - 1 - HG2 MET 121 - HA PHE 93 lone 0 73 - 1 - Peak 8208 from cnoeabs.peaks (4.34, 1.90, 32.07 ppm; 3.35 A): 5 out of 50 assignments used, quality = 0.76: HA SER 99 + HB2 LYS 96 OK 54 100 - 55 - 8210/1.8=16, 8206/4.1=6...(17) * HA PHE 93 + HB2 LYS 96 OK 27 100 - 27 - 8210/1.8=8, 8206/4.1=4...(8) HA GLU 98 + HB2 LYS 96 OK 11 99 - 11 - 8210/1.8=4, 2164/4.1=2...(4) HA SER 99 + HB2 LYS 20 OK 10 73 - 14 - 8207=2, 8207/1.8=1...(8) HA SER 99 + HB3 LYS 20 OK 10 73 - 14 - 8207=2, 8207/1.8=1...(8) HA SER 99 - HB3 LYS 44 lone 5 97 - 5 - HA SER 99 - HB2 LYS 44 lone 4 82 - 5 - HA PHE 93 - HB3 LYS 44 lone 4 97 - 4 - HA GLN 85 - HB2 LYS 96 lone 3 98 - 3 - 8210/1.8=1 HA PHE 93 - HB2 LYS 44 lone 3 83 - 4 - HA SER 99 - HB3 LYS 43 lone 2 96 - 2 - HA PHE 93 - HB2 LYS 20 lone 2 74 - 3 - HA PHE 93 - HB3 LYS 20 lone 2 74 - 3 - HA PHE 93 - HB3 LYS 43 lone 2 97 - 2 - HA SER 99 - HB2 LYS 43 lone 2 89 - 2 - HA SER 99 - HB2 LYS 73 lone 2 92 - 2 - HA PHE 93 - HB2 LYS 43 lone 2 90 - 2 - HA SER 99 - HB3 LYS 73 lone 2 89 - 2 - HA PHE 93 - HB2 LYS 73 lone 2 93 - 2 - HA PHE 93 - HB3 LYS 73 lone 1 90 - 2 - HB THR 9 - HB2 LYS 96 lone 1 61 - 2 - HB THR 9 - HB3 LYS 44 lone 1 57 - 2 - HB THR 9 - HB3 LYS 43 lone 1 56 - 2 - HB THR 9 - HB2 LYS 44 lone 1 44 - 2 - HB THR 9 - HB2 LYS 43 lone 1 50 - 2 - HA GLU 98 - HB3 LYS 44 lone 1 96 - 1 - HA GLU 98 - HB2 LYS 44 lone 1 81 - 1 - HA GLU 98 - HB3 LYS 43 lone 1 95 - 1 - HA GLU 98 - HB2 LYS 43 lone 0 88 - 1 - HA GLU 98 - HB2 LYS 73 lone 0 91 - 1 - HA GLU 98 - HB3 LYS 73 lone 0 89 - 1 - HA GLN 85 - HB3 LYS 44 lone 0 94 - 0 - HA GLN 85 - HB3 LYS 43 lone 0 93 - 0 - HA GLN 85 - HB2 LYS 73 lone 0 89 - 0 - HB THR 9 - HB2 LYS 73 lone 0 52 - 1 - HA GLN 85 - HB3 LYS 73 lone 0 86 - 0 - HA GLU 98 - HB3 LYS 20 lone 0 72 - 1 - HA GLU 98 - HB2 LYS 20 lone 0 72 - 1 - HA GLN 85 - HB2 LYS 43 lone 0 86 - 0 - HA GLN 85 - HB2 LYS 44 lone 0 78 - 0 - HB THR 9 - HB3 LYS 73 lone 0 50 - 1 - HA SER 99 - HB3 LYS 123 lone 0 42 - 1 - HA GLN 85 - HB2 LYS 20 lone 0 70 - 0 - HA GLN 85 - HB3 LYS 20 lone 0 70 - 0 - HB THR 9 - HB3 LYS 20 lone 0 38 - 1 - HB THR 9 - HB2 LYS 20 lone 0 38 - 1 - HA PHE 93 - HB3 LYS 123 lone 0 43 - 1 - HA GLN 85 - HB3 LYS 123 lone 0 40 - 1 - HA GLU 98 - HB3 LYS 123 lone 0 42 - 0 - HB THR 9 - HB3 LYS 123 lone 0 21 - 0 - Peak 8209 from cnoeabs.peaks (1.97, 4.34, 60.45 ppm; 5.10 A): 3 out of 18 assignments used, quality = 0.96: HB3 LYS 96 + HA SER 99 OK 86 99 - 87 - 8210=28, 1.8/8208=16...(19) * HB3 LYS 96 + HA PHE 93 OK 52 100 - 52 - 8210=14, 4.1/8206=10...(10) HB3 ARG 95 + HA SER 99 OK 45 99 - 45 - 4.6/8206=13, ~2179=13...(7) HB3 ARG 95 - HA PHE 93 OK 32 100 - 32 - 3.9/8205=13, 4.6/8206=9...(6) HB2 LYS 40 - HA SER 99 lone 6 59 - 10 - 4.0/8206=3, 5.0/10087=1...(4) HB2 LYS 40 - HA PHE 93 lone 6 61 - 9 - 4.0/8206=3, 5.0/10087=1 HB3 GLU 103 - HA PHE 93 lone 5 73 - 6 - ~583=2, ~584=2 HB VAL 29 - HA PHE 93 lone 4 65 - 7 - ~10089=1, ~10088=1...(4) HB3 GLU 128 - HA PHE 93 lone 2 70 - 4 - HB3 GLU 128 - HA SER 99 lone 2 67 - 2 - HB3 GLU 21 - HA PHE 93 lone 1 100 - 1 - HB VAL 22 - HA SER 99 lone 1 81 - 1 - HB3 GLU 21 - HA SER 99 lone 1 99 - 1 - HB3 GLU 103 - HA SER 99 lone 1 71 - 1 - HB3 GLU 52 - HA PHE 93 lone 1 61 - 2 - HB VAL 22 - HA PHE 93 lone 1 84 - 1 - HB VAL 29 - HA SER 99 lone 1 63 - 2 - HB3 GLU 52 - HA SER 99 lone 1 59 - 1 - Peak 8210 from cnoeabs.peaks (4.34, 1.97, 32.07 ppm; 3.77 A): 3 out of 5 assignments used, quality = 0.78: HA SER 99 + HB3 LYS 96 OK 62 100 - 62 - 8208/1.8=14, 8206/4.1=8...(17) * HA PHE 93 + HB3 LYS 96 OK 31 100 - 31 - 8208/1.8=7, 8206/4.1=6...(10) HA GLU 98 + HB3 LYS 96 OK 13 99 - 13 - 2164/4.1=3, 8208/1.8=3...(6) HA GLN 85 - HB3 LYS 96 lone 4 98 - 4 - HB THR 9 - HB3 LYS 96 lone 1 61 - 2 - Peak 8211 from cnoeabs.peaks (7.83, 4.34, 60.45 ppm; 4.85 A): 4 out of 10 assignments used, quality = 0.87: H ILE 97 + HA SER 99 OK 66 99 - 67 - 4.6/8210=17, 2177/2.9=14...(12) * H ILE 97 + HA PHE 93 OK 42 100 - 42 - 4.5/8206=9, 4.6/8210=9...(9) H LYS 39 + HA SER 99 OK 23 99 - 23 - 2177/2.9=6, 7797/8210=4...(8) H LYS 39 + HA PHE 93 OK 13 100 - 13 - 4.7/8206=2, 1939/8206=2...(4) H VAL 78 - HA SER 99 lone 7 99 - 7 - 2177/2.9=1 H VAL 78 - HA PHE 93 lone 4 100 - 4 - H TYR 27 - HA SER 99 lone 3 78 - 4 - H TYR 27 - HA PHE 93 lone 2 81 - 2 - HE21 GLN 62 - HA SER 99 lone 1 71 - 2 - HE21 GLN 62 - HA PHE 93 lone 1 73 - 1 - Peak 8213 from cnoeabs.peaks (7.83, 3.62, 60.08 ppm; 5.04 A): 3 out of 5 assignments used, quality = 0.93: * H ILE 97 + HA LYS 94 OK 89 100 - 89 - 2169=38, 3.9/8215=29...(11) H LYS 39 + HA LYS 94 OK 28 100 - 28 - 2169=11, 1651/10104=4...(7) H VAL 78 + HA LYS 94 OK 11 100 - 11 - 6196/10104=4...(4) H TYR 27 - HA LYS 94 lone 2 81 - 2 - HE21 GLN 62 - HA LYS 94 lone 1 73 - 2 - Peak 8214 from cnoeabs.peaks (1.81, 3.62, 60.08 ppm; 4.41 A): 1 out of 10 assignments used, quality = 0.85: * HB ILE 97 + HA LYS 94 OK 85 100 - 85 - 8215=34, 2.1/10119=27...(9) HB2 LEU 64 - HA LYS 94 poor 7 61 - 12 - 3.1/10102=3, ~10096=2...(6) HG2 ARG 105 - HA LYS 94 lone 6 100 - 6 - 11507/10236=3 HB3 ARG 105 - HA LYS 94 lone 5 96 - 6 - 11507/10236=3 HB2 LEU 14 - HA LYS 94 lone 5 77 - 6 - 3.0/5929=1 HB2 ARG 118 - HA LYS 94 lone 2 94 - 2 - HG12 ILE 5 - HA LYS 94 lone 2 100 - 2 - HB ILE 3 - HA LYS 94 lone 1 100 - 1 - HB ILE 57 - HA LYS 94 lone 1 77 - 1 - HB ILE 18 - HA LYS 94 lone 1 84 - 1 - Peak 8215 from cnoeabs.peaks (3.62, 1.81, 37.21 ppm; 5.03 A): 1 out of 1 assignment used, quality = 0.92: * HA LYS 94 + HB ILE 97 OK 92 100 - 92 - 8214=37, 10119/2.1=36...(9) Peak 8216 from cnoeabs.peaks (8.67, 3.62, 60.08 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.96: * H GLU 98 + HA LYS 94 OK 94 100 - 94 - 2175=50, 4.1/10119=38...(11) H VAL 104 + HA LYS 94 OK 34 61 - 56 - 3.9/10236=39, ~10682=9...(9) Peak 8219 from cnoeabs.peaks (2.18, 4.15, 59.10 ppm; 3.65 A): 2 out of 9 assignments used, quality = 0.54: * HB2 GLU 98 + HA ARG 95 OK 47 100 - 47 - 8220=21, 4.0/11702=14...(6) HG3 GLU 66 + HA ARG 95 OK 14 96 - 15 - 3.0/8221=4, 11069=3...(6) HB2 GLN 85 - HA ARG 95 lone 5 98 - 5 - 8220=2 HB2 MET 42 - HA ARG 95 lone 3 87 - 4 - ~8077=2 HB3 GLU 13 - HA ARG 95 lone 3 61 - 5 - 1.8/8221=1 HB3 GLU 37 - HA ARG 95 lone 3 99 - 3 - HB2 GLN 62 - HA ARG 95 lone 0 87 - 1 - HB3 GLN 62 - HA ARG 95 lone 0 87 - 1 - HB3 MET 1 - HA ARG 95 lone 0 61 - 1 - Peak 8220 from cnoeabs.peaks (4.15, 2.18, 29.43 ppm; 3.81 A): 2 out of 24 assignments used, quality = 0.59: * HA ARG 95 + HB2 GLU 98 OK 55 100 - 55 - 8219=31, 11702/4.0=15...(6) HA LEU 63 + HB2 GLN 85 OK 11 61 - 17 - 8111/1.8=3, 11045=2...(9) HA GLN 122 - HB2 GLN 85 poor 8 64 - 12 - 7031/3.0=2, 7031/3.0=2...(5) HA GLU 89 - HB2 GLU 98 lone 8 100 - 8 - 2179/4.3=3, 2174/4.0=2 HA ARG 95 - HB2 GLN 85 lone 6 91 - 6 - 8219=3 HA LEU 63 - HB3 GLU 37 poor 4 36 - 12 - ~9676=2, ~9674=2...(6) HA LEU 63 - HB2 GLU 98 lone 3 73 - 4 - HA GLU 89 - HB2 GLN 85 lone 3 90 - 3 - HA ARG 95 - HB3 GLU 37 lone 2 58 - 4 - 8219=2 HA GLU 89 - HB3 GLU 37 lone 2 57 - 3 - HA LEU 70 - HB2 GLU 98 lone 2 90 - 2 - HA LEU 45 - HB2 GLU 98 lone 2 100 - 2 - HA ALA 124 - HB2 GLU 98 lone 2 98 - 2 - HA ALA 124 - HB2 GLN 85 lone 2 87 - 2 - HA GLN 122 - HB2 GLU 98 lone 1 77 - 1 - HA LEU 70 - HB3 GLU 37 lone 1 46 - 2 - HA VAL 22 - HB2 GLU 98 lone 1 65 - 1 - HA LEU 70 - HB2 GLN 85 lone 1 76 - 1 - HA LEU 45 - HB2 GLN 85 lone 1 90 - 1 - HA LEU 45 - HB3 GLU 37 lone 1 58 - 1 - HA VAL 22 - HB2 GLN 85 lone 0 54 - 1 - HA VAL 22 - HB3 GLU 37 lone 0 31 - 1 - HA ALA 124 - HB3 GLU 37 lone 0 54 - 1 - HA GLN 122 - HB3 GLU 37 lone 0 38 - 1 - Peak 8221 from cnoeabs.peaks (2.05, 4.15, 59.10 ppm; 3.56 A): 4 out of 18 assignments used, quality = 0.79: * HB3 GLU 98 + HA ARG 95 OK 42 100 - 42 - 1.8/8219=21...(6) HB2 GLU 92 + HA ARG 95 OK 41 100 - 42 - 8180=15, 1.8/8182=7...(11) HB2 LYS 94 + HA ARG 95 OK 24 70 - 34 - ~596=12, 595/3.0=12...(4) HB2 GLU 66 + HA ARG 95 OK 20 84 - 24 - 3.0/8219=5, ~8199=2...(10) HB3 GLU 91 - HA ARG 95 poor 8 73 - 10 - 4.6/8223=4, ~8197=2...(4) HB2 GLU 13 - HA ARG 95 lone 6 90 - 6 - 1.8/8219=1, 8180=1 HB3 GLN 85 - HA ARG 95 lone 4 84 - 4 - 1.8/8219=2 HB2 GLU 47 - HA ARG 95 lone 3 100 - 3 - 4.0/2072=2 HB3 MET 67 - HA ARG 95 lone 3 99 - 3 - HB3 GLU 89 - HA ARG 95 lone 2 84 - 3 - HB2 GLU 89 - HA ARG 95 lone 2 84 - 3 - HB3 GLU 87 - HA ARG 95 lone 2 84 - 2 - HB3 GLN 100 - HA ARG 95 lone 2 99 - 2 - HB VAL 117 - HA ARG 95 lone 1 98 - 1 - HB2 GLN 28 - HA ARG 95 lone 0 94 - 1 - HG3 GLU 52 - HA ARG 95 lone 0 94 - 1 - HB3 GLU 48 - HA ARG 95 lone 0 84 - 1 - HB2 GLU 48 - HA ARG 95 lone 0 84 - 1 - Peak 8222 from cnoeabs.peaks (4.15, 2.05, 29.43 ppm; 3.05 A): 2 out of 2 assignments used, quality = 0.75: HA GLU 89 + HB3 GLU 89 OK 50 50 - 100 - 3.0=100 HA GLU 89 + HB2 GLU 89 OK 50 50 - 100 - 3.0=100 Reference assignment not found: HA ARG 95 - HB3 GLU 98 Peak 8223 from cnoeabs.peaks (8.10, 4.15, 59.10 ppm; 4.28 A): 4 out of 5 assignments used, quality = 0.85: * H SER 99 + HA ARG 95 OK 55 100 - 55 - 2179=19, 4.6/11702=17...(9) H GLU 92 + HA ARG 95 OK 43 90 - 48 - 2144=11, 4.0/8180=9...(14) H PHE 93 + HA ARG 95 OK 30 99 - 30 - 4.6/8180=7, 4.6/2144=6...(7) H GLU 128 + HA ARG 95 OK 14 77 - 19 - 2264=6, 1837/3.0=3...(7) H ALA 113 - HA ARG 95 lone 1 61 - 1 - Peak 8225 from cnoeabs.peaks (8.10, 4.07, 58.93 ppm; 3.55 A): 5 out of 15 assignments used, quality = 0.88: H GLU 92 + HA GLU 91 OK 56 57 - 99 - 3.6=98, 573/2.9=18...(7) * H SER 99 + HA LYS 96 OK 53 100 - 54 - 2178=20, 4.0/8226=11...(11) H PHE 93 + HA GLU 91 OK 21 68 - 30 - 4.6/574=13, 1934/2.9=6...(7) H PHE 93 + HA LYS 96 OK 18 99 - 18 - 4.6/2154=4, ~8206=3...(8) H SER 99 + HA GLU 91 OK 12 70 - 17 - 2178=6, 1934/2.9=3...(8) H GLU 128 - HA GLU 91 poor 6 47 - 13 - 2263=3, 1934/2.9=2...(7) H GLU 128 - HA LYS 96 lone 6 77 - 7 - 2263=2, 4.0/8329=1 H SER 99 - HA GLU 37 lone 5 57 - 9 - 2178=3, 630/3.0=2, 4.9/3505=2 H GLU 92 - HA LYS 96 lone 4 90 - 5 - 574=2 H GLU 92 - HA GLU 37 lone 1 46 - 2 - H PHE 93 - HA GLU 37 lone 1 56 - 2 - H ALA 113 - HA LYS 96 lone 1 61 - 1 - H GLU 128 - HA GLU 37 lone 0 37 - 1 - H ALA 113 - HA GLU 91 lone 0 36 - 1 - H ALA 113 - HA GLU 37 lone 0 28 - 1 - Peak 8226 from cnoeabs.peaks (4.00, 4.07, 58.93 ppm; 2.40 A): 2 out of 24 assignments used, quality = 0.56: * HB2 SER 99 + HA LYS 96 OK 34 100 - 34 - 8229=13, 1.8/8227=10...(10) HB3 SER 99 + HA LYS 96 OK 34 100 - 34 - 8229=13, 1.8/8227=10...(10) HB2 SER 99 - HA GLU 91 lone 3 70 - 4 - 8229=2, 4.0/2178=1, 1.8/8227=1 HB3 SER 99 - HA GLU 91 lone 3 70 - 4 - 8229=2, 4.0/2178=1, 1.8/8227=1 HB2 SER 99 - HA GLU 37 lone 1 57 - 2 - HB3 SER 99 - HA GLU 37 lone 1 57 - 2 - HA LYS 17 - HA LYS 96 lone 1 99 - 1 - HA GLU 111 - HA GLU 37 lone 1 51 - 2 - HA GLU 112 - HA LYS 96 lone 0 100 - 0 - HA GLU 112 - HA GLU 91 lone 0 70 - 1 - HA GLU 112 - HA GLU 37 lone 0 57 - 1 - HA GLU 111 - HA GLU 91 lone 0 63 - 1 - HA LEU 14 - HA LYS 96 lone 0 90 - 0 - HA GLU 111 - HA LYS 96 lone 0 96 - 0 - HA3 GLY 101 - HA GLU 91 lone 0 52 - 0 - HA3 GLY 101 - HA LYS 96 lone 0 84 - 0 - HA LEU 14 - HA GLU 37 lone 0 46 - 0 - HA LYS 17 - HA GLU 91 lone 0 68 - 0 - HA3 GLY 75 - HA LYS 96 lone 0 73 - 0 - HA LEU 14 - HA GLU 91 lone 0 57 - 0 - HA LYS 17 - HA GLU 37 lone 0 56 - 0 - HA3 GLY 75 - HA GLU 91 lone 0 44 - 0 - HA3 GLY 101 - HA GLU 37 lone 0 42 - 0 - HA3 GLY 75 - HA GLU 37 lone 0 35 - 0 - Peak 8227 from cnoeabs.peaks (4.07, 4.00, 62.68 ppm; 2.73 A): 2 out of 16 assignments used, quality = 0.73: * HA LYS 96 + HB2 SER 99 OK 48 100 - 48 - 8226=21, 8228/1.8=15...(12) HA LYS 96 + HB3 SER 99 OK 48 100 - 48 - 8226=21, 8228/1.8=15...(12) HA GLU 91 - HB3 SER 99 lone 6 96 - 6 - 8228=2, 2178/4.0=2, 8226/1.8=1 HA GLU 91 - HB2 SER 99 lone 6 96 - 6 - 8228=2, 2178/4.0=2, 8226/1.8=1 HA GLU 37 - HB3 SER 99 lone 3 98 - 3 - 2178/4.0=1 HA GLU 37 - HB2 SER 99 lone 3 98 - 3 - 2178/4.0=1 HA LYS 44 - HB2 SER 99 lone 1 99 - 1 - HA LYS 44 - HB3 SER 99 lone 1 99 - 1 - HA GLU 69 - HB2 SER 99 lone 1 92 - 1 - HA GLU 69 - HB3 SER 99 lone 1 92 - 1 - HA3 GLY 125 - HB2 SER 99 lone 0 100 - 0 - HA3 GLY 125 - HB3 SER 99 lone 0 100 - 0 - HA SER 35 - HB2 SER 99 lone 1 61 - 1 - HA SER 35 - HB3 SER 99 lone 1 61 - 1 - HA2 GLY 125 - HB2 SER 99 lone 0 84 - 0 - HA2 GLY 125 - HB3 SER 99 lone 0 84 - 0 - Peak 8228 from cnoeabs.peaks (4.00, 4.07, 58.93 ppm; 2.40 A): 2 out of 24 assignments used, quality = 0.56: HB2 SER 99 + HA LYS 96 OK 34 100 - 34 - 8229=13, 1.8/8227=10...(10) * HB3 SER 99 + HA LYS 96 OK 34 100 - 34 - 8229=13, 1.8/8227=10...(10) HB2 SER 99 - HA GLU 91 lone 3 70 - 4 - 8229=2, 4.0/2178=1, 1.8/8227=1 HB3 SER 99 - HA GLU 91 lone 3 70 - 4 - 8229=2, 4.0/2178=1, 1.8/8227=1 HB2 SER 99 - HA GLU 37 lone 1 57 - 2 - HB3 SER 99 - HA GLU 37 lone 1 57 - 2 - HA LYS 17 - HA LYS 96 lone 1 99 - 1 - HA GLU 111 - HA GLU 37 lone 1 51 - 2 - HA GLU 112 - HA LYS 96 lone 0 100 - 0 - HA GLU 112 - HA GLU 91 lone 0 70 - 1 - HA GLU 112 - HA GLU 37 lone 0 57 - 1 - HA GLU 111 - HA GLU 91 lone 0 63 - 1 - HA LEU 14 - HA LYS 96 lone 0 90 - 0 - HA GLU 111 - HA LYS 96 lone 0 96 - 0 - HA3 GLY 101 - HA GLU 91 lone 0 52 - 0 - HA3 GLY 101 - HA LYS 96 lone 0 84 - 0 - HA LEU 14 - HA GLU 37 lone 0 46 - 0 - HA LYS 17 - HA GLU 91 lone 0 68 - 0 - HA3 GLY 75 - HA LYS 96 lone 0 73 - 0 - HA LEU 14 - HA GLU 91 lone 0 57 - 0 - HA LYS 17 - HA GLU 37 lone 0 56 - 0 - HA3 GLY 75 - HA GLU 91 lone 0 44 - 0 - HA3 GLY 101 - HA GLU 37 lone 0 42 - 0 - HA3 GLY 75 - HA GLU 37 lone 0 35 - 0 - Peak 8229 from cnoeabs.peaks (4.07, 4.00, 62.68 ppm; 2.73 A): 2 out of 16 assignments used, quality = 0.73: HA LYS 96 + HB2 SER 99 OK 48 100 - 48 - 8226=21, 8228/1.8=15...(12) * HA LYS 96 + HB3 SER 99 OK 48 100 - 48 - 8226=21, 8228/1.8=15...(12) HA GLU 91 - HB3 SER 99 lone 6 96 - 6 - 8228=2, 2178/4.0=2, 8226/1.8=1 HA GLU 91 - HB2 SER 99 lone 6 96 - 6 - 8228=2, 2178/4.0=2, 8226/1.8=1 HA GLU 37 - HB3 SER 99 lone 3 98 - 3 - 2178/4.0=1 HA GLU 37 - HB2 SER 99 lone 3 98 - 3 - 2178/4.0=1 HA LYS 44 - HB2 SER 99 lone 1 99 - 1 - HA LYS 44 - HB3 SER 99 lone 1 99 - 1 - HA GLU 69 - HB2 SER 99 lone 1 92 - 1 - HA GLU 69 - HB3 SER 99 lone 1 92 - 1 - HA3 GLY 125 - HB2 SER 99 lone 0 100 - 0 - HA3 GLY 125 - HB3 SER 99 lone 0 100 - 0 - HA SER 35 - HB2 SER 99 lone 1 61 - 1 - HA SER 35 - HB3 SER 99 lone 1 61 - 1 - HA2 GLY 125 - HB2 SER 99 lone 0 84 - 0 - HA2 GLY 125 - HB3 SER 99 lone 0 84 - 0 - Peak 8232 from cnoeabs.peaks (8.12, 4.09, 57.39 ppm; 4.36 A): 2 out of 4 assignments used, quality = 0.84: * H ALA 113 + HA ASP 110 OK 80 100 - 80 - 2.9/8234=37, 2187=35...(10) H VAL 117 + HA ASP 110 OK 23 100 - 24 - 2187=10, 715/8235=4...(6) H PHE 93 - HA ASP 110 lone 1 77 - 2 - H SER 99 - HA ASP 110 lone 1 61 - 1 - Peak 8233 from cnoeabs.peaks (1.41, 4.09, 57.39 ppm; 3.34 A): 3 out of 8 assignments used, quality = 0.77: * QB ALA 113 + HA ASP 110 OK 69 100 - 69 - 8234=42, 2.9/2187=14...(10) HB3 GLN 83 + HA ASP 110 OK 16 92 - 17 - 4.4/10392=5, 4.4/10392=5...(6) HB3 LEU 114 + HA ASP 110 OK 13 84 - 15 - 3.9/8235=10, 10376/3.0=2...(5) HG3 LYS 17 - HA ASP 110 lone 5 61 - 8 - 11517/9168=2, 11518/9169=2 HG3 LYS 16 - HA ASP 110 lone 4 81 - 5 - 10384/3.0=1, 10376/3.0=1 HG3 LYS 106 - HA ASP 110 lone 4 96 - 4 - HB3 LEU 63 - HA ASP 110 lone 2 73 - 3 - HG12 ILE 56 - HA ASP 110 lone 1 70 - 1 - Peak 8234 from cnoeabs.peaks (4.09, 1.41, 18.60 ppm; 3.46 A): 1 out of 4 assignments used, quality = 0.66: * HA ASP 110 + QB ALA 113 OK 66 100 - 66 - 8233=31, 2187/2.9=15...(11) HA GLN 62 - QB ALA 113 lone 2 92 - 3 - HA LYS 43 - QB ALA 113 lone 1 97 - 1 - HA LYS 20 - QB ALA 113 lone 1 96 - 1 - Peak 8235 from cnoeabs.peaks (7.74, 4.09, 57.39 ppm; 5.48 A): 1 out of 2 assignments used, quality = 0.62: * H LEU 114 + HA ASP 110 OK 62 100 - 62 - 3.7/8234=42, 4.6/8232=25...(5) H GLU 48 - HA ASP 110 lone 3 99 - 3 - 7880/8234=1 Peak 8237 from cnoeabs.peaks (7.74, 3.99, 59.36 ppm; 3.98 A): 2 out of 2 assignments used, quality = 0.79: * H LEU 114 + HA GLU 111 OK 76 100 - 76 - 3.9/8238=22, 2191=21...(10) H GLU 48 + HA GLU 111 OK 11 99 - 10 - 2184/3.6=3, 284/3.0=2...(5) Peak 8238 from cnoeabs.peaks (1.74, 3.99, 59.36 ppm; 3.47 A): 1 out of 13 assignments used, quality = 0.71: * HB2 LEU 114 + HA GLU 111 OK 71 100 - 71 - 1.8/8240=23...(12) HG2 LYS 17 - HA GLU 111 lone 5 57 - 8 - 1.8/2851=2, 3.0/2871=2...(4) HG12 ILE 15 - HA GLU 111 lone 3 94 - 3 - 2699/3.6=2 HB2 LEU 68 - HA GLU 111 lone 2 87 - 2 - HB3 LEU 90 - HA GLU 111 lone 2 84 - 2 - HG2 ARG 118 - HA GLU 111 lone 1 98 - 1 - HB3 LEU 82 - HA GLU 111 lone 1 100 - 1 - HG3 ARG 105 - HA GLU 111 lone 1 70 - 1 - HD3 LYS 123 - HA GLU 111 lone 1 84 - 1 - HB3 LYS 94 - HA GLU 111 lone 1 100 - 1 - HB2 LYS 106 - HA GLU 111 lone 1 61 - 1 - HB3 LYS 49 - HA GLU 111 lone 0 57 - 1 - HB2 LEU 80 - HA GLU 111 lone 0 65 - 0 - Peak 8239 from cnoeabs.peaks (3.99, 1.74, 40.94 ppm; 4.14 A): 3 out of 12 assignments used, quality = 0.96: * HA GLU 111 + HB2 LEU 114 OK 88 100 - 88 - 8238=40, 8240/1.8=29...(12) HA GLU 112 + HB2 LEU 114 OK 50 94 - 53 - 8244/4.3=13, 8241/1.8=8...(13) HA LYS 17 + HB2 LEU 114 OK 40 99 - 40 - 8241/1.8=7, ~10915=7...(13) HA LEU 14 - HB2 LEU 114 OK 21 100 - 21 - 9163=4, 3.6/1099=4...(9) HB3 SER 99 - HB2 LEU 114 lone 10 96 - 10 - 8241/1.8=2, ~8241=1...(5) HB2 SER 99 - HB2 LEU 114 lone 10 96 - 10 - 8241/1.8=2, ~8241=1...(5) HA GLU 112 - HB2 LEU 68 lone 3 62 - 4 - 8244/4.6=1 HA GLU 111 - HB2 LEU 68 lone 2 71 - 3 - HA LYS 17 - HB2 LEU 68 lone 1 70 - 2 - HA LEU 14 - HB2 LEU 68 lone 1 70 - 2 - HB3 SER 99 - HB2 LEU 68 lone 1 64 - 1 - HB2 SER 99 - HB2 LEU 68 lone 1 64 - 1 - Peak 8240 from cnoeabs.peaks (1.40, 3.99, 59.36 ppm; 3.53 A): 2 out of 7 assignments used, quality = 0.83: * HB3 LEU 114 + HA GLU 111 OK 75 100 - 75 - 1.8/8238=30...(12) QB ALA 113 + HA GLU 111 OK 34 84 - 41 - 3.7/8237=17, 10398/3.6=8...(8) HG LEU 14 - HA GLU 111 lone 2 61 - 4 - 2.1/2665=3 HG3 LYS 106 - HA GLU 111 lone 2 99 - 2 - HB3 LEU 68 - HA GLU 111 lone 1 73 - 2 - HG3 LYS 16 - HA GLU 111 lone 1 100 - 1 - HG2 LYS 40 - HA GLU 111 lone 0 65 - 0 - Peak 8241 from cnoeabs.peaks (3.99, 1.40, 40.94 ppm; 4.30 A): 3 out of 6 assignments used, quality = 0.97: * HA GLU 111 + HB3 LEU 114 OK 90 100 - 90 - 8238/1.8=38, 8240=32...(12) HA GLU 112 + HB3 LEU 114 OK 52 94 - 55 - 8244/4.3=14, 8239/1.8=9...(13) HA LYS 17 + HB3 LEU 114 OK 46 99 - 47 - 3.6/10777=12, ~10915=7...(11) HA LEU 14 - HB3 LEU 114 OK 19 100 - 19 - 9163/1.8=6, 2191/3.9=3...(7) HB2 SER 99 - HB3 LEU 114 OK 11 96 - 11 - 4.5/7883=2, 8239/1.8=2...(5) HB3 SER 99 - HB3 LEU 114 OK 11 96 - 11 - 4.5/7883=2, 8239/1.8=2...(5) Peak 8244 from cnoeabs.peaks (7.62, 4.00, 58.75 ppm; 3.98 A): 1 out of 11 assignments used, quality = 0.65: * H LYS 115 + HA GLU 112 OK 65 100 - 66 - 4.6/8249=15, 2198/3.6=12...(17) H GLN 100 - HA GLU 112 lone 9 98 - 9 - 2198/3.6=1, 2196=1 H LEU 64 - HA GLU 112 lone 8 94 - 9 - 2188/3.6=2, 5.2/11463=1 H GLU 69 - HA GLU 112 lone 7 92 - 7 - 1455/3.0=1, 1455/3.0=1 H LYS 16 - HA GLU 112 lone 5 84 - 6 - 75/3.0=2, 2188/3.6=1 H LEU 74 - HA GLU 112 lone 3 96 - 4 - 75/3.0=1 H ASP 34 - HA GLU 112 lone 3 100 - 3 - HE21 GLN 85 - HA GLU 112 lone 2 97 - 2 - HD21 ASN 50 - HA GLU 112 lone 1 73 - 1 - H ALA 46 - HA GLU 112 lone 1 57 - 2 - HE ARG 105 - HA GLU 112 lone 1 65 - 1 - Peak 8245 from cnoeabs.peaks (1.93, 4.00, 58.75 ppm; 3.26 A): 4 out of 16 assignments used, quality = 0.76: * HB2 LYS 115 + HA GLU 112 OK 46 100 - 46 - 8246=11, 4.4/8249=10...(9) HB3 LYS 115 + HA GLU 112 OK 44 98 - 45 - 8246=10, 4.4/8249=10...(8) HB3 LYS 65 + HA GLU 112 OK 11 99 - 12 - 8246=3, 1.8/8248=2...(4) HB2 LYS 65 + HA GLU 112 OK 11 98 - 11 - 8248=3, 1.8/8248=2...(4) HB2 LEU 81 - HA GLU 112 lone 5 94 - 6 - 10431/3.6=1, ~10400=1 HB ILE 15 - HA GLU 112 lone 5 84 - 6 - ~2706=1, ~2699=1, ~2713=1 HB3 LYS 17 - HA GLU 112 lone 5 98 - 5 - HG2 MET 121 - HA GLU 112 lone 2 90 - 2 - HB2 LYS 123 - HA GLU 112 lone 1 98 - 1 - HB3 LYS 123 - HA GLU 112 lone 1 81 - 1 - HB VAL 104 - HA GLU 112 lone 1 65 - 1 - HB2 LYS 39 - HA GLU 112 lone 1 98 - 1 - HB2 LEU 127 - HA GLU 112 lone 0 99 - 0 - HB2 LEU 70 - HA GLU 112 lone 0 81 - 0 - HB3 LYS 40 - HA GLU 112 lone 0 70 - 0 - HB2 LYS 44 - HA GLU 112 lone 0 70 - 0 - Peak 8246 from cnoeabs.peaks (4.00, 1.93, 32.18 ppm; 2.94 A): 3 out of 56 assignments used, quality = 0.69: * HA GLU 112 + HB2 LYS 115 OK 42 100 - 42 - 8245=12, 8247/1.8=10...(8) HA GLU 112 + HB3 LYS 115 OK 40 96 - 42 - 8247=12, 8245/1.8=10...(8) HA GLU 112 + HB3 LYS 65 OK 10 94 - 11 - 8247=3, 8247/1.8=3...(4) HA GLU 112 - HB2 LYS 65 poor 10 92 - 11 - 8247=3, 8247/1.8=3...(4) HA GLU 111 - HB2 LYS 115 lone 8 94 - 9 - 2196/4.0=2, 2202/4.4=1 HA GLU 111 - HB3 LYS 115 lone 8 87 - 9 - 2196/4.0=2, 2202/4.4=1 HB2 SER 99 - HB2 LYS 115 lone 6 100 - 6 - 10460/3.0=1 HB3 SER 99 - HB2 LYS 115 lone 6 100 - 6 - 10460/3.0=1 HB3 SER 99 - HB3 LYS 115 lone 6 96 - 6 - 10460/3.0=1 HB2 SER 99 - HB3 LYS 115 lone 6 96 - 6 - 10460/3.0=1 HA LYS 17 - HB2 LYS 115 lone 5 99 - 5 - HA LYS 17 - HB3 LYS 115 lone 5 93 - 5 - HA LEU 14 - HB2 LYS 115 lone 3 87 - 4 - HA LYS 17 - HB2 LYS 123 lone 3 85 - 3 - HA LEU 14 - HB3 LYS 115 lone 3 79 - 4 - HA GLU 111 - HB3 LYS 65 lone 2 85 - 2 - HA GLU 111 - HB2 LYS 65 lone 2 83 - 2 - HA LYS 17 - HB3 LYS 123 lone 2 53 - 3 - HA LEU 14 - HB2 LYS 39 lone 2 70 - 3 - HA LYS 17 - HB3 LYS 65 lone 1 91 - 1 - HA LYS 17 - HB2 LYS 65 lone 1 89 - 1 - HA3 GLY 75 - HB2 LYS 115 lone 1 77 - 1 - HA LEU 14 - HB3 LYS 65 lone 1 77 - 1 - HA LEU 14 - HB2 LYS 123 lone 1 70 - 1 - HB3 SER 99 - HB2 LYS 39 lone 1 87 - 1 - HB2 SER 99 - HB2 LYS 39 lone 1 87 - 1 - HA LEU 14 - HB2 LYS 65 lone 1 75 - 1 - HA GLU 112 - HB2 LYS 123 lone 1 88 - 1 - HB3 SER 99 - HB3 LYS 65 lone 1 94 - 1 - HB2 SER 99 - HB3 LYS 65 lone 1 94 - 1 - HA3 GLY 75 - HB3 LYS 115 lone 1 70 - 1 - HB2 SER 99 - HB2 LYS 65 lone 1 92 - 1 - HB3 SER 99 - HB2 LYS 65 lone 1 92 - 1 - HA LYS 17 - HB2 LYS 39 lone 1 84 - 1 - HA3 GLY 101 - HB2 LYS 115 lone 1 87 - 1 - HA3 GLY 101 - HB3 LYS 115 lone 1 79 - 1 - HA GLU 112 - HB3 LYS 123 lone 1 55 - 1 - HA LEU 14 - HB3 LYS 123 lone 1 42 - 1 - HA GLU 112 - HB2 LYS 39 lone 0 87 - 1 - HA GLU 111 - HB2 LYS 123 lone 0 78 - 1 - HB2 SER 99 - HB2 LYS 123 lone 0 88 - 0 - HB3 SER 99 - HB2 LYS 123 lone 0 88 - 0 - HA3 GLY 75 - HB2 LYS 123 lone 0 61 - 1 - HA3 GLY 101 - HB3 LYS 65 lone 0 77 - 0 - HA3 GLY 75 - HB3 LYS 65 lone 0 68 - 0 - HA3 GLY 101 - HB2 LYS 65 lone 0 75 - 0 - HA3 GLY 75 - HB2 LYS 65 lone 0 66 - 0 - HA GLU 111 - HB2 LYS 39 lone 0 78 - 0 - HA3 GLY 75 - HB2 LYS 39 lone 0 61 - 0 - HA3 GLY 75 - HB3 LYS 123 lone 0 36 - 1 - HA GLU 111 - HB3 LYS 123 lone 0 47 - 0 - HB3 SER 99 - HB3 LYS 123 lone 0 55 - 0 - HB2 SER 99 - HB3 LYS 123 lone 0 55 - 0 - HA3 GLY 101 - HB2 LYS 123 lone 0 70 - 0 - HA3 GLY 101 - HB2 LYS 39 lone 0 70 - 0 - HA3 GLY 101 - HB3 LYS 123 lone 0 42 - 0 - Peak 8247 from cnoeabs.peaks (1.93, 4.00, 58.75 ppm; 3.26 A): 4 out of 20 assignments used, quality = 0.76: * HB3 LYS 115 + HA GLU 112 OK 45 100 - 45 - 8248=10, 4.4/8249=10...(8) HB2 LYS 115 + HA GLU 112 OK 45 98 - 46 - 8246=11, 4.4/8249=10...(8) HB3 LYS 65 + HA GLU 112 OK 12 100 - 12 - 8248=3, 1.8/8248=2...(4) HB2 LYS 65 + HA GLU 112 OK 12 100 - 12 - 8248=3, 1.8/8248=2...(4) HB3 LYS 17 - HA GLU 112 lone 4 87 - 4 - HB2 LEU 81 - HA GLU 112 lone 4 77 - 5 - ~10400=1 HB ILE 15 - HA GLU 112 lone 4 61 - 6 - ~2706=1, ~2699=1, ~2713=1 HG2 MET 121 - HA GLU 112 lone 1 70 - 2 - HB VAL 104 - HA GLU 112 lone 1 87 - 1 - HB2 LYS 123 - HA GLU 112 lone 1 100 - 1 - HB2 LYS 39 - HA GLU 112 lone 1 100 - 1 - HB3 GLU 52 - HA GLU 112 lone 0 65 - 1 - HB3 LYS 40 - HA GLU 112 lone 0 90 - 0 - HB3 LYS 39 - HA GLU 112 lone 0 81 - 0 - HB2 LEU 70 - HA GLU 112 lone 0 96 - 0 - HB2 LEU 127 - HA GLU 112 lone 0 100 - 0 - HB3 GLU 41 - HA GLU 112 lone 0 77 - 0 - HB3 MET 42 - HA GLU 112 lone 0 73 - 0 - HB2 GLU 41 - HA GLU 112 lone 0 73 - 0 - HB VAL 29 - HA GLU 112 lone 0 61 - 0 - Peak 8248 from cnoeabs.peaks (4.00, 1.93, 32.18 ppm; 2.96 A): 4 out of 64 assignments used, quality = 0.73: * HA GLU 112 + HB3 LYS 115 OK 43 100 - 43 - 8247=13, 8245/1.8=10...(8) HA GLU 112 + HB2 LYS 115 OK 41 96 - 43 - 8247=13, 8247/1.8=10...(8) HA GLU 112 + HB2 LYS 65 OK 11 98 - 11 - 8247=3, 8247/1.8=3...(4) HA GLU 112 + HB3 LYS 65 OK 11 98 - 11 - 8247=3, 8247/1.8=3...(4) HA GLU 111 - HB3 LYS 115 lone 8 94 - 9 - 2196/4.0=2, 2202/4.4=1 HA GLU 111 - HB2 LYS 115 lone 8 87 - 9 - 2196/4.0=2, 2202/4.4=1 HB3 SER 99 - HB3 LYS 115 lone 7 100 - 7 - 10460/3.0=1 HB2 SER 99 - HB3 LYS 115 lone 7 100 - 7 - 10460/3.0=1 HB2 SER 99 - HB2 LYS 115 lone 6 96 - 6 - 10460/3.0=1 HB3 SER 99 - HB2 LYS 115 lone 6 96 - 6 - 10460/3.0=1 HA LYS 17 - HB3 LYS 115 lone 5 99 - 5 - HA LYS 17 - HB2 LYS 115 lone 5 93 - 5 - HA LYS 17 - HB3 LYS 40 lone 4 51 - 8 - ~1114=2, ~1989=2, ~86=2 HA LEU 14 - HB3 LYS 115 lone 3 87 - 4 - HA LYS 17 - HB2 LYS 123 lone 3 92 - 3 - HA LEU 14 - HB2 LYS 115 lone 3 79 - 4 - HA GLU 111 - HB2 LYS 65 lone 2 90 - 2 - HA GLU 111 - HB3 LYS 65 lone 2 90 - 2 - HA LEU 14 - HB2 LYS 39 lone 2 78 - 3 - HA LYS 17 - HB3 LYS 65 lone 1 96 - 1 - HA LYS 17 - HB2 LYS 65 lone 1 96 - 1 - HB2 SER 99 - HB2 LYS 39 lone 1 94 - 1 - HB3 SER 99 - HB2 LYS 39 lone 1 94 - 1 - HA LEU 14 - HB2 LYS 123 lone 1 78 - 1 - HA GLU 112 - HB2 LYS 123 lone 1 95 - 1 - HA LEU 14 - HB3 LYS 65 lone 1 83 - 1 - HA LEU 14 - HB2 LYS 65 lone 1 83 - 1 - HA3 GLY 75 - HB3 LYS 115 lone 1 77 - 1 - HB3 SER 99 - HB2 LYS 65 lone 1 98 - 1 - HB2 SER 99 - HB2 LYS 65 lone 1 98 - 1 - HB3 SER 99 - HB3 LYS 65 lone 1 98 - 1 - HB2 SER 99 - HB3 LYS 65 lone 1 98 - 1 - HA LEU 14 - HB3 LYS 39 lone 1 42 - 2 - HA3 GLY 75 - HB2 LYS 115 lone 1 70 - 1 - HA LYS 17 - HB2 LYS 39 lone 1 92 - 1 - HB3 SER 99 - HB3 LYS 39 lone 1 55 - 1 - HB2 SER 99 - HB3 LYS 39 lone 1 55 - 1 - HA3 GLY 101 - HB3 LYS 115 lone 1 87 - 1 - HA LEU 14 - HB3 LYS 40 lone 1 41 - 2 - HA3 GLY 101 - HB2 LYS 115 lone 1 79 - 1 - HB3 SER 99 - HB3 LYS 40 lone 1 54 - 1 - HB2 SER 99 - HB3 LYS 40 lone 1 54 - 1 - HA GLU 112 - HB2 LYS 39 lone 1 95 - 1 - HA GLU 111 - HB2 LYS 123 lone 0 86 - 1 - HB3 SER 99 - HB2 LYS 123 lone 0 95 - 0 - HB2 SER 99 - HB2 LYS 123 lone 0 95 - 0 - HA3 GLY 75 - HB2 LYS 123 lone 0 68 - 1 - HA3 GLY 75 - HB2 LYS 65 lone 0 73 - 0 - HA3 GLY 75 - HB3 LYS 65 lone 0 73 - 0 - HA3 GLY 101 - HB2 LYS 65 lone 0 83 - 0 - HA3 GLY 101 - HB3 LYS 65 lone 0 83 - 0 - HA GLU 111 - HB2 LYS 39 lone 0 85 - 0 - HA LYS 17 - HB3 LYS 39 lone 0 52 - 1 - HA GLU 112 - HB3 LYS 39 lone 0 55 - 0 - HA3 GLY 75 - HB2 LYS 39 lone 0 68 - 0 - HA GLU 112 - HB3 LYS 40 lone 0 54 - 0 - HA3 GLY 101 - HB2 LYS 123 lone 0 78 - 0 - HA3 GLY 101 - HB2 LYS 39 lone 0 78 - 0 - HA GLU 111 - HB3 LYS 40 lone 0 46 - 0 - HA GLU 111 - HB3 LYS 39 lone 0 47 - 0 - HA3 GLY 75 - HB3 LYS 39 lone 0 36 - 0 - HA3 GLY 101 - HB3 LYS 39 lone 0 42 - 0 - HA3 GLY 101 - HB3 LYS 40 lone 0 41 - 0 - HA3 GLY 75 - HB3 LYS 40 lone 0 35 - 0 - Peak 8249 from cnoeabs.peaks (8.00, 4.00, 58.75 ppm; 4.94 A): 1 out of 3 assignments used, quality = 0.74: * H ILE 116 + HA GLU 112 OK 74 100 - 74 - 735/3.6=21, 2202=21...(13) H GLY 26 - HA GLU 112 lone 2 73 - 3 - H SER 72 - HA GLU 112 lone 2 61 - 3 - Peak 8251 from cnoeabs.peaks (8.00, 3.80, 55.38 ppm; 5.35 A): 1 out of 3 assignments used, quality = 0.88: * H ILE 116 + HA ALA 113 OK 88 100 - 88 - 2193/3.6=31...(11) H GLY 26 - HA ALA 113 lone 4 73 - 5 - 2193/3.6=1 H SER 72 - HA ALA 113 lone 3 61 - 4 - 2193/3.6=2 Peak 8252 from cnoeabs.peaks (1.63, 3.80, 55.38 ppm; 4.30 A): 3 out of 12 assignments used, quality = 0.89: * HB ILE 116 + HA ALA 113 OK 85 100 - 85 - 3.2/10416=20, 8253=20...(20) HB3 LEU 64 + HA ALA 113 OK 17 100 - 17 - ~11010=3, 10422/2.1=2...(7) HG LEU 64 + HA ALA 113 OK 15 87 - 17 - ~11010=3, 10422/2.1=2...(8) HB ILE 5 - HA ALA 113 poor 9 73 - 13 - ~10421=3, 2.9/10414=2...(5) HG LEU 63 - HA ALA 113 lone 8 92 - 9 - 2.1/10415=1...(3) HB2 LEU 82 - HA ALA 113 lone 7 94 - 8 - 11186/10314=1, ~9966=1 HG LEU 90 - HA ALA 113 lone 3 94 - 3 - HG2 LYS 16 - HA ALA 113 lone 2 100 - 2 - HD2 LYS 77 - HA ALA 113 lone 2 98 - 2 - HD3 LYS 77 - HA ALA 113 lone 2 97 - 2 - HG3 LYS 40 - HA ALA 113 lone 1 92 - 1 - HB3 LEU 127 - HA ALA 113 lone 1 70 - 1 - Peak 8253 from cnoeabs.peaks (3.80, 1.63, 36.32 ppm; 4.66 A): 2 out of 4 assignments used, quality = 0.96: * HA ALA 113 + HB ILE 116 OK 91 100 - 91 - 8252=28, 10417/2.1=24...(20) HA LYS 115 + HB ILE 116 OK 62 100 - 62 - 3.6/6796=33...(10) HA LYS 65 - HB ILE 116 OK 25 98 - 25 - 10471/2.1=4, 10475/3.2=4...(10) HA2 GLY 26 - HB ILE 116 lone 5 77 - 6 - 3.0/6796=2 Peak 8254 from cnoeabs.peaks (8.12, 3.80, 55.38 ppm; 4.11 A): 1 out of 1 assignment used, quality = 1.00: H ALA 113 + HA ALA 113 OK 100 100 - 100 - 3.0=100 Reference assignment not found: H VAL 117 - HA ALA 113 Peak 8256 from cnoeabs.peaks (8.12, 3.71, 57.67 ppm; 4.68 A): 2 out of 3 assignments used, quality = 0.98: H ALA 113 + HA LEU 114 OK 87 100 - 87 - 2.9/10427=26, 715/3.0=25...(15) * H VAL 117 + HA LEU 114 OK 85 100 - 85 - 4.0/8258=29...(12) H PHE 93 - HA LEU 114 lone 2 65 - 3 - Peak 8257 from cnoeabs.peaks (2.05, 3.71, 57.67 ppm; 4.01 A): 1 out of 17 assignments used, quality = 0.84: * HB VAL 117 + HA LEU 114 OK 84 100 - 84 - 8258=44, 2.1/10515=33...(12) HB2 GLU 47 - HA LEU 114 lone 5 94 - 5 - 7528/3.0=2, ~7529=1 HB3 MET 67 - HA LEU 114 lone 3 100 - 3 - HB2 GLU 66 - HA LEU 114 lone 3 97 - 3 - HB2 GLU 92 - HA LEU 114 lone 2 98 - 2 - HB3 GLN 100 - HA LEU 114 lone 2 100 - 1 - HB3 GLU 87 - HA LEU 114 lone 2 97 - 2 - HB2 GLU 48 - HA LEU 114 lone 1 97 - 1 - HB3 GLU 48 - HA LEU 114 lone 1 97 - 1 - HB2 GLN 28 - HA LEU 114 lone 1 77 - 2 - HB3 GLU 98 - HA LEU 114 lone 1 98 - 1 - HB3 GLU 89 - HA LEU 114 lone 1 97 - 1 - HB2 GLU 89 - HA LEU 114 lone 1 97 - 1 - HB3 GLN 85 - HA LEU 114 lone 1 97 - 1 - HB2 GLU 13 - HA LEU 114 lone 1 70 - 1 - HG3 GLU 52 - HA LEU 114 lone 1 100 - 1 - HB2 MET 1 - HA LEU 114 lone 0 70 - 1 - Peak 8258 from cnoeabs.peaks (3.71, 2.05, 30.75 ppm; 3.86 A): 1 out of 6 assignments used, quality = 0.78: * HA LEU 114 + HB VAL 117 OK 78 100 - 78 - 8257=34, 10515/2.1=31...(12) HA LYS 61 - HB VAL 117 lone 8 94 - 9 - 10515/2.1=4, 2212/4.4=2 HA2 GLY 101 - HB VAL 117 lone 2 94 - 2 - HA LEU 114 - HB2 GLN 28 lone 0 26 - 2 - HA LYS 61 - HB2 GLN 28 lone 0 22 - 1 - HA2 GLY 101 - HB2 GLN 28 lone 0 22 - 0 - Peak 8259 from cnoeabs.peaks (8.03, 3.71, 57.67 ppm; 6.16 A): 2 out of 7 assignments used, quality = 0.94: * H ARG 118 + HA LEU 114 OK 88 100 - 88 - 4.3/10515=39...(12) H LYS 65 + HA LEU 114 OK 53 87 - 61 - 4.6/2083=10, 4.2/8098=10...(16) H SER 72 - HA LEU 114 OK 15 100 - 14 - 9802/3.6=4, 447/3.9=3...(4) H ASP 109 - HA LEU 114 OK 12 92 - 13 - 11125/10427=3...(5) H THR 9 - HA LEU 114 poor 7 65 - 10 - 3.9/10445=2, 396/3.9=2 H VAL 22 - HA LEU 114 lone 6 90 - 7 - 11125/10427=1...(3) H GLY 26 - HA LEU 114 lone 6 98 - 5 - Peak 8261 from cnoeabs.peaks (8.03, 3.80, 59.88 ppm; 3.66 A): 2 out of 7 assignments used, quality = 0.68: * H ARG 118 + HA LYS 115 OK 52 100 - 52 - 4.1/8264=16, 4.6/8266=13...(9) H LYS 65 + HA LYS 115 OK 35 87 - 40 - 5.0/6703=4, 4.2/8262=4...(18) H SER 72 - HA LYS 115 lone 3 100 - 3 - 9802/3.0=2 H ASP 109 - HA LYS 115 lone 2 92 - 3 - H GLY 26 - HA LYS 115 lone 2 98 - 2 - H THR 9 - HA LYS 115 lone 1 65 - 2 - H VAL 22 - HA LYS 115 lone 1 90 - 1 - Peak 8262 from cnoeabs.peaks (1.80, 3.80, 59.88 ppm; 3.70 A): 3 out of 9 assignments used, quality = 0.78: * HB2 ARG 118 + HA LYS 115 OK 66 100 - 66 - 1.8/8264=30, 4.2/8266=14...(8) HB2 LEU 64 + HA LYS 115 OK 25 92 - 27 - 4.2/8261=7, 3.1/10452=5...(7) HB ILE 97 + HA LYS 115 OK 16 94 - 17 - 3.2/10456=12, ~10115=2, ~724=2 HG2 ARG 105 - HA LYS 115 lone 7 98 - 7 - 3.0/8264=2...(3) HB3 ARG 105 - HA LYS 115 lone 4 70 - 5 - 1.8/8264=2, 10500/10475=1 HG12 ILE 5 - HA LYS 115 lone 2 96 - 2 - HB ILE 3 - HA LYS 115 lone 2 97 - 2 - HB2 LYS 19 - HA LYS 115 lone 1 90 - 2 - HB3 GLN 28 - HA LYS 115 lone 1 73 - 1 - Peak 8263 from cnoeabs.peaks (3.80, 1.80, 29.70 ppm; 5.29 A): 2 out of 4 assignments used, quality = 0.95: * HA LYS 115 + HB2 ARG 118 OK 88 100 - 88 - 8264/1.8=35, 8266/4.2=29...(11) HA LYS 65 + HB2 ARG 118 OK 61 98 - 62 - 8265/1.8=15...(10) HA ALA 113 - HB2 ARG 118 OK 23 100 - 22 - 2217/4.2=5, 8265/1.8=5...(6) HA2 GLY 26 - HB2 ARG 118 lone 3 77 - 3 - Peak 8264 from cnoeabs.peaks (1.87, 3.80, 59.88 ppm; 3.20 A): 1 out of 12 assignments used, quality = 0.48: * HB3 ARG 118 + HA LYS 115 OK 48 100 - 48 - 1.8/8262=15, 4.2/8266=10...(8) HB2 ARG 105 - HA LYS 115 lone 4 81 - 5 - 3.0/8262=1 HB2 LYS 16 - HA LYS 115 lone 4 94 - 4 - HB3 LYS 16 - HA LYS 115 lone 3 92 - 4 - QE MET 67 - HA LYS 115 lone 3 94 - 4 - HB2 LEU 63 - HA LYS 115 lone 2 100 - 2 - QE MET 42 - HA LYS 115 lone 1 99 - 1 - HB2 LYS 20 - HA LYS 115 lone 1 61 - 2 - HB3 LYS 20 - HA LYS 115 lone 1 61 - 2 - HG2 ARG 95 - HA LYS 115 lone 1 99 - 1 - HG LEU 45 - HA LYS 115 lone 1 90 - 1 - HG LEU 127 - HA LYS 115 lone 0 84 - 0 - Peak 8265 from cnoeabs.peaks (3.80, 1.87, 29.70 ppm; 5.14 A): 2 out of 4 assignments used, quality = 0.95: * HA LYS 115 + HB3 ARG 118 OK 87 100 - 87 - 8264=35, 8266/4.2=28...(9) HA LYS 65 + HB3 ARG 118 OK 61 98 - 62 - 8263/1.8=13...(11) HA ALA 113 - HB3 ARG 118 OK 21 100 - 20 - 2217/4.2=5, 8263/1.8=5...(6) HA2 GLY 26 - HB3 ARG 118 lone 2 77 - 3 - Peak 8266 from cnoeabs.peaks (7.92, 3.80, 59.88 ppm; 4.79 A): 1 out of 3 assignments used, quality = 0.61: * H GLU 119 + HA LYS 115 OK 61 100 - 61 - 4.2/8264=25, 4.2/8262=17...(8) H GLY 75 - HA LYS 115 lone 4 97 - 4 - 462/3.0=2 HD21 ASN 33 - HA LYS 115 lone 1 57 - 1 - Peak 8268 from cnoeabs.peaks (7.92, 3.46, 64.12 ppm; 4.65 A): 1 out of 3 assignments used, quality = 0.90: * H GLU 119 + HA ILE 116 OK 90 100 - 90 - 2216=50, 10545/3.2=25...(11) H GLY 75 - HA ILE 116 lone 5 97 - 5 - 2208/3.6=1 HD21 ASN 33 - HA ILE 116 lone 2 57 - 3 - ~10466=2 Peak 8269 from cnoeabs.peaks (2.12, 3.46, 64.12 ppm; 3.75 A): 3 out of 14 assignments used, quality = 0.96: * HB2 GLU 119 + HA ILE 116 OK 75 100 - 75 - 8270=24, 4.0/2216=22...(14) HB3 GLU 119 + HA ILE 116 OK 75 100 - 75 - 8272=24, 4.0/2216=22...(14) HB VAL 107 + HA ILE 116 OK 36 100 - 36 - ~11187=9, ~11186=8...(9) HB3 GLU 92 - HA ILE 116 lone 3 92 - 4 - 8272=1 HB2 GLU 111 - HA ILE 116 lone 3 65 - 4 - ~2202=2 HG2 GLU 21 - HA ILE 116 lone 2 90 - 3 - HG3 GLU 21 - HA ILE 116 lone 2 84 - 2 - HG3 GLN 83 - HA ILE 116 lone 2 100 - 2 - HB2 GLU 91 - HA ILE 116 lone 2 96 - 2 - HB2 GLU 21 - HA ILE 116 lone 1 100 - 1 - HB2 LEU 38 - HA ILE 116 lone 1 100 - 1 - HG2 GLU 41 - HA ILE 116 lone 1 73 - 1 - HB3 GLU 47 - HA ILE 116 lone 1 97 - 1 - HG2 GLU 52 - HA ILE 116 lone 0 70 - 1 - Peak 8270 from cnoeabs.peaks (3.46, 2.12, 28.96 ppm; 3.79 A): 2 out of 4 assignments used, quality = 0.92: * HA ILE 116 + HB2 GLU 119 OK 72 100 - 72 - 2216/4.0=23, 8269=18...(13) HA ILE 116 + HB3 GLU 119 OK 71 99 - 72 - 2216/4.0=23, 8269=18...(14) HA ILE 116 - HB3 GLU 92 lone 3 82 - 3 - HA ILE 116 - HB2 GLU 91 lone 1 90 - 2 - Peak 8271 from cnoeabs.peaks (2.11, 3.46, 64.12 ppm; 3.75 A): 3 out of 14 assignments used, quality = 0.96: * HB3 GLU 119 + HA ILE 116 OK 75 100 - 75 - 8272=24, 4.0/2216=22...(14) HB2 GLU 119 + HA ILE 116 OK 75 100 - 75 - 8270=24, 4.0/2216=22...(14) HB VAL 107 + HA ILE 116 OK 36 100 - 37 - ~11187=9, ~11186=8...(9) HB3 GLU 92 - HA ILE 116 lone 4 97 - 4 - 8272=1 HB2 GLU 111 - HA ILE 116 lone 3 77 - 5 - ~2202=2 HG2 GLU 21 - HA ILE 116 lone 3 96 - 3 - HG3 GLU 21 - HA ILE 116 lone 3 92 - 3 - HG3 GLN 83 - HA ILE 116 lone 2 100 - 2 - HB2 GLU 21 - HA ILE 116 lone 2 100 - 2 - HB2 GLU 91 - HA ILE 116 lone 1 90 - 2 - HB2 LEU 38 - HA ILE 116 lone 1 100 - 1 - HB3 GLU 47 - HA ILE 116 lone 1 99 - 1 - HG2 GLU 52 - HA ILE 116 lone 1 81 - 1 - HG2 GLU 41 - HA ILE 116 lone 1 61 - 1 - Peak 8272 from cnoeabs.peaks (3.46, 2.11, 28.96 ppm; 3.79 A): 2 out of 4 assignments used, quality = 0.92: * HA ILE 116 + HB3 GLU 119 OK 72 100 - 72 - 2216/4.0=23, 8269=18...(15) HA ILE 116 + HB2 GLU 119 OK 71 99 - 72 - 2216/4.0=23, 8269=18...(14) HA ILE 116 - HB3 GLU 92 lone 3 93 - 3 - HA ILE 116 - HB2 GLU 91 lone 1 78 - 2 - Peak 8273 from cnoeabs.peaks (8.83, 3.46, 64.12 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.93: * H PHE 120 + HA ILE 116 OK 93 100 - 93 - 2222=50, 4.6/2216=44...(8) H LYS 106 - HA ILE 116 poor 7 61 - 12 - 10281/4.1=6, 1962/2216=1 H SER 58 - HA ILE 116 lone 4 73 - 6 - Peak 8274 from cnoeabs.peaks (7.92, 3.26, 67.50 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.93: * H GLU 119 + HA VAL 117 OK 93 100 - 93 - 2214=50, 4.6/2221=42...(8) H GLY 75 - HA VAL 117 lone 7 97 - 7 - 2208/3.0=2, 1961/3.6=1 HD21 ASN 33 - HA VAL 117 lone 2 57 - 3 - Peak 8275 from cnoeabs.peaks (8.83, 3.26, 67.50 ppm; 4.67 A): 1 out of 3 assignments used, quality = 0.94: * H PHE 120 + HA VAL 117 OK 94 100 - 94 - 2221=50, 4.0/8276=32...(11) H SER 58 - HA VAL 117 lone 3 73 - 5 - 2213/3.6=2 H LYS 106 - HA VAL 117 lone 3 61 - 4 - 2213/3.6=1 Peak 8276 from cnoeabs.peaks (3.22, 3.26, 67.50 ppm; 3.23 A): 1 out of 4 assignments used, quality = 0.71: * HB2 PHE 120 + HA VAL 117 OK 71 100 - 71 - 2.4/4720=26, 1.8/8279=19...(14) HA ILE 15 - HA VAL 117 lone 9 100 - 9 - 4.2/11195=2, 10773/3.2=1...(4) HD2 ARG 95 - HA VAL 117 lone 1 99 - 1 - HD3 ARG 95 - HA VAL 117 lone 1 99 - 1 - Peak 8277 from cnoeabs.peaks (3.26, 3.22, 36.75 ppm; 4.69 A): 1 out of 1 assignment used, quality = 0.95: * HA VAL 117 + HB2 PHE 120 OK 95 100 - 95 - 4720/2.4=46, 8276=43...(16) Peak 8278 from cnoeabs.peaks (2.34, 3.26, 67.50 ppm; 5.26 A): 1 out of 6 assignments used, quality = 0.98: * HB3 PHE 120 + HA VAL 117 OK 98 100 - 98 - 8279=50, 2.4/4720=49...(15) HG3 GLU 112 - HA VAL 117 OK 38 99 - 38 - 7878/3.0=7, ~7878=5...(12) HG2 GLU 112 - HA VAL 117 OK 38 98 - 38 - 7878/3.0=7, ~7878=5...(12) HG2 GLN 83 - HA VAL 117 OK 13 97 - 13 - 10011/3.2=3, ~10522=2...(4) HG3 GLN 100 - HA VAL 117 lone 2 96 - 2 - HG2 GLU 13 - HA VAL 117 lone 1 65 - 2 - Peak 8279 from cnoeabs.peaks (3.26, 2.34, 36.75 ppm; 4.47 A): 1 out of 1 assignment used, quality = 0.92: * HA VAL 117 + HB3 PHE 120 OK 92 100 - 92 - 4720/2.4=44, 8276/1.8=43...(14) Peak 8280 from cnoeabs.peaks (8.32, 3.26, 67.50 ppm; 6.18 A): 1 out of 2 assignments used, quality = 0.95: * H MET 121 + HA VAL 117 OK 95 100 - 95 - 2227=50, 4.6/4720=45...(9) H GLU 103 - HA VAL 117 lone 4 100 - 4 - 2218/2214=1 Peak 8282 from cnoeabs.peaks (8.32, 3.89, 60.17 ppm; 4.63 A): 1 out of 2 assignments used, quality = 0.82: * H MET 121 + HA ARG 118 OK 82 100 - 82 - 2226=45, 4.0/8286=26...(6) H GLU 103 - HA ARG 118 lone 5 100 - 5 - 2218/3.6=2 Peak 8283 from cnoeabs.peaks (2.29, 3.89, 60.17 ppm; 4.53 A): 1 out of 8 assignments used, quality = 0.81: * HB2 MET 121 + HA ARG 118 OK 81 100 - 81 - 1.8/8286=38, 8284=36...(5) HG3 GLU 91 - HA ARG 118 lone 3 100 - 3 - HG3 GLU 87 - HA ARG 118 lone 2 99 - 2 - HG2 GLU 87 - HA ARG 118 lone 2 99 - 2 - HG2 GLU 47 - HA ARG 118 lone 1 99 - 1 - HG2 GLU 69 - HA ARG 118 lone 1 70 - 2 - HG2 GLU 111 - HA ARG 118 lone 1 100 - 1 - HB3 ASN 8 - HA ARG 118 lone 1 70 - 1 - Peak 8284 from cnoeabs.peaks (3.89, 2.29, 33.64 ppm; 4.89 A): 1 out of 4 assignments used, quality = 0.86: * HA ARG 118 + HB2 MET 121 OK 86 100 - 86 - 8283=44, 8286/1.8=42...(6) HA LEU 64 - HB2 MET 121 lone 3 81 - 4 - 8286/1.8=1, 2226/4.0=1 HA GLU 128 - HB2 MET 121 lone 3 77 - 3 - 8286/1.8=1 HA LEU 38 - HB2 MET 121 lone 2 65 - 2 - Peak 8285 from cnoeabs.peaks (2.08, 3.89, 60.17 ppm; 4.06 A): 2 out of 13 assignments used, quality = 0.82: * HB3 MET 121 + HA ARG 118 OK 75 100 - 76 - 8286=36, 1.8/8283=28...(6) HG2 GLU 119 + HA ARG 118 OK 25 100 - 25 - 6925/3.6=23, 1796/2226=2 HB3 GLU 112 - HA ARG 118 lone 6 98 - 6 - 1783/3.6=2, 11541/2.9=1 HB2 GLU 112 - HA ARG 118 lone 5 97 - 6 - 1783/3.6=2, 11541/2.9=2 HB3 GLU 66 - HA ARG 118 lone 3 73 - 4 - HB3 PHE 79 - HA ARG 118 lone 3 100 - 3 - HB3 GLU 91 - HA ARG 118 lone 3 96 - 3 - HB2 GLU 103 - HA ARG 118 lone 3 92 - 3 - 4.0/8282=1 HB2 LYS 94 - HA ARG 118 lone 2 97 - 3 - HB3 GLU 69 - HA ARG 118 lone 2 87 - 2 - HB2 GLU 87 - HA ARG 118 lone 2 70 - 3 - HB2 GLU 13 - HA ARG 118 lone 1 84 - 1 - HB2 GLN 28 - HA ARG 118 lone 1 77 - 1 - Peak 8286 from cnoeabs.peaks (3.89, 2.08, 33.64 ppm; 4.40 A): 1 out of 4 assignments used, quality = 0.77: * HA ARG 118 + HB3 MET 121 OK 77 100 - 78 - 8283/1.8=33, 8285=29...(6) HA LEU 64 - HB3 MET 121 lone 3 81 - 3 - 2226/4.0=1, 8284/1.8=1 HA GLU 128 - HB3 MET 121 lone 2 77 - 3 - HA LEU 38 - HB3 MET 121 lone 1 65 - 2 - Peak 8289 from cnoeabs.peaks (8.05, 4.03, 59.53 ppm; 3.87 A): 4 out of 28 assignments used, quality = 0.63: H GLN 122 + HA LYS 123 OK 38 60 - 64 - 1965/3.0=26, 2231=16...(10) * H GLN 122 + HA GLU 119 OK 24 100 - 25 - 2230/3.6=10, 2231=7...(7) H LEU 90 + HA GLU 92 OK 12 53 - 23 - 4.6/2130=4, 7756/4.0=4...(8) H LEU 90 + HA GLU 119 OK 11 97 - 11 - 2223/3.6=4, 4.4/11573=2...(5) H GLN 122 - HA GLU 92 lone 5 59 - 8 - 2231=2 H LYS 65 - HA GLU 119 lone 5 73 - 6 - ~2217=2, 747/3.0=2, 9127/3.6=1 H LEU 90 - HA LYS 123 lone 4 55 - 7 - 776/3.0=2, 2240/3.6=2 H LYS 65 - HA LYS 123 poor 4 37 - 10 - 776/3.0=4, ~8123=2, 2240/3.6=1 H GLN 122 - HA LYS 40 lone 3 96 - 3 - H LEU 90 - HA LYS 40 lone 2 91 - 3 - H VAL 22 - HA GLU 119 lone 1 70 - 2 - 2223/3.6=1 H ASP 109 - HA GLU 119 lone 1 65 - 2 - H THR 9 - HA GLU 119 lone 1 92 - 1 - H LYS 65 - HA LYS 40 lone 1 66 - 1 - H ASP 109 - HA GLU 92 lone 1 31 - 3 - H THR 9 - HA LYS 123 lone 1 50 - 2 - H HIS 131 - HA GLU 119 lone 1 99 - 1 - H LYS 65 - HA GLU 92 lone 1 36 - 2 - H HIS 131 - HA LYS 123 lone 1 57 - 1 - H THR 9 - HA GLU 92 lone 1 49 - 1 - H THR 9 - HA LYS 40 lone 0 85 - 1 - H VAL 22 - HA GLU 92 lone 1 34 - 1 - H VAL 22 - HA LYS 40 lone 0 63 - 1 - H VAL 22 - HA LYS 123 lone 0 35 - 1 - H HIS 131 - HA LYS 40 lone 0 93 - 0 - H ASP 109 - HA LYS 123 lone 0 32 - 1 - H HIS 131 - HA GLU 92 lone 0 56 - 1 - H ASP 109 - HA LYS 40 lone 0 59 - 1 - Peak 8290 from cnoeabs.peaks (2.24, 4.03, 59.53 ppm; 3.19 A): 2 out of 16 assignments used, quality = 0.56: HB2 GLN 122 + HA LYS 123 OK 34 60 - 56 - 779/3.0=11, 8291=8...(15) HB3 GLN 122 + HA LYS 123 OK 34 60 - 56 - 779/3.0=11, 8291=8...(15) HB3 GLN 122 - HA GLU 119 lone 8 100 - 8 - 4.0/8289=3, 8291=1...(4) ! HB2 GLN 122 - HA GLU 119 lone 8 100 - 8 - 4.0/8289=3, 8291=1...(4) HG2 GLU 103 - HA GLU 92 lone 3 38 - 8 - HB3 GLN 122 - HA GLU 92 lone 2 59 - 4 - HB2 GLN 122 - HA GLU 92 lone 2 59 - 4 - HB2 GLN 122 - HA LYS 40 lone 2 96 - 2 - HB3 GLN 122 - HA LYS 40 lone 2 96 - 2 - HG2 GLU 103 - HA GLU 119 lone 1 77 - 1 - HG2 GLU 103 - HA LYS 40 lone 1 70 - 1 - HG2 GLN 28 - HA LYS 40 lone 1 96 - 1 - HG2 GLN 28 - HA GLU 119 lone 1 100 - 1 - HG2 GLN 28 - HA LYS 123 lone 0 60 - 0 - HG2 GLU 103 - HA LYS 123 lone 0 39 - 1 - HG2 GLN 28 - HA GLU 92 lone 0 58 - 0 - Peak 8291 from cnoeabs.peaks (4.03, 2.24, 28.02 ppm; 3.85 A): 2 out of 26 assignments used, quality = 0.94: HA LYS 123 + HB2 GLN 122 OK 76 100 - 76 - 8290=17, 8290/1.8=15...(15) HA LYS 123 + HB3 GLN 122 OK 76 100 - 76 - 8290=17, 8290/1.8=15...(15) HA PHE 120 - HB2 GLN 122 OK 18 99 - 19 - 8296/4.7=10, 2231/4.0=5...(4) HA PHE 120 - HB3 GLN 122 OK 18 99 - 19 - 8296/4.7=10, 2231/4.0=5...(4) ! HA GLU 119 - HB2 GLN 122 OK 15 100 - 15 - 8289/4.0=5, 8290=4...(5) HA GLU 119 - HB3 GLN 122 OK 15 100 - 15 - 8289/4.0=5, 8290=4...(5) HA GLU 66 - HB3 GLN 122 OK 14 100 - 14 - 2231/4.0=3, 10605/3.0=2...(6) HA GLU 66 - HB2 GLN 122 OK 14 100 - 14 - 2231/4.0=3, 10605/3.0=2...(6) HA GLU 92 - HB2 GLN 122 lone 6 99 - 6 - 8290=1, 8290/1.8=1 HA GLU 92 - HB3 GLN 122 lone 6 99 - 6 - 8290=1, 8290/1.8=1 HA GLU 87 - HB3 GLN 122 lone 4 96 - 4 - 8164/4.0=2 HA GLU 87 - HB2 GLN 122 lone 4 96 - 4 - 8164/4.0=2 HA LYS 40 - HB3 GLN 122 lone 4 99 - 4 - 8292=1 HA LYS 40 - HB2 GLN 122 lone 4 99 - 4 - 8292=1 HB3 SER 126 - HB2 GLN 122 lone 1 100 - 1 - HB3 SER 126 - HB3 GLN 122 lone 1 100 - 1 - HB2 SER 126 - HB2 GLN 122 lone 1 99 - 1 - HB2 SER 126 - HB3 GLN 122 lone 1 99 - 1 - HA GLU 13 - HB3 GLN 122 lone 1 100 - 1 - HA GLU 13 - HB2 GLN 122 lone 1 100 - 1 - HA SER 35 - HB3 GLN 122 lone 1 61 - 1 - HA SER 35 - HB2 GLN 122 lone 1 61 - 1 - HA3 GLY 101 - HB3 GLN 122 lone 1 65 - 1 - HA3 GLY 101 - HB2 GLN 122 lone 1 65 - 1 - HA3 GLY 75 - HB3 GLN 122 lone 0 77 - 1 - HA3 GLY 75 - HB2 GLN 122 lone 0 77 - 1 - Peak 8292 from cnoeabs.peaks (2.24, 4.03, 59.53 ppm; 3.19 A): 2 out of 16 assignments used, quality = 0.56: HB2 GLN 122 + HA LYS 123 OK 34 60 - 56 - 779/3.0=11, 8291=8...(15) HB3 GLN 122 + HA LYS 123 OK 34 60 - 56 - 779/3.0=11, 8291=8...(15) ! HB3 GLN 122 - HA GLU 119 lone 8 100 - 8 - 4.0/8289=3, 8291=1...(4) HB2 GLN 122 - HA GLU 119 lone 8 100 - 8 - 4.0/8289=3, 8291=1...(4) HG2 GLU 103 - HA GLU 92 lone 3 38 - 8 - HB3 GLN 122 - HA GLU 92 lone 2 59 - 4 - HB2 GLN 122 - HA GLU 92 lone 2 59 - 4 - HB2 GLN 122 - HA LYS 40 lone 2 96 - 2 - HB3 GLN 122 - HA LYS 40 lone 2 96 - 2 - HG2 GLU 103 - HA GLU 119 lone 1 77 - 1 - HG2 GLU 103 - HA LYS 40 lone 1 70 - 1 - HG2 GLN 28 - HA LYS 40 lone 1 96 - 1 - HG2 GLN 28 - HA GLU 119 lone 1 100 - 1 - HG2 GLN 28 - HA LYS 123 lone 0 60 - 0 - HG2 GLU 103 - HA LYS 123 lone 0 39 - 1 - HG2 GLN 28 - HA GLU 92 lone 0 58 - 0 - Peak 8293 from cnoeabs.peaks (4.03, 2.24, 28.02 ppm; 3.85 A): 2 out of 26 assignments used, quality = 0.94: HA LYS 123 + HB2 GLN 122 OK 76 100 - 76 - 8290=17, 8290/1.8=15...(15) HA LYS 123 + HB3 GLN 122 OK 76 100 - 76 - 8290=17, 8290/1.8=15...(15) HA PHE 120 - HB2 GLN 122 OK 18 99 - 19 - 8296/4.7=10, 2231/4.0=5...(4) HA PHE 120 - HB3 GLN 122 OK 18 99 - 19 - 8296/4.7=10, 2231/4.0=5...(4) HA GLU 119 - HB2 GLN 122 OK 15 100 - 15 - 8289/4.0=5, 8290=4...(5) ! HA GLU 119 - HB3 GLN 122 OK 15 100 - 15 - 8289/4.0=5, 8290=4...(5) HA GLU 66 - HB3 GLN 122 OK 14 100 - 14 - 2231/4.0=3, 10605/3.0=2...(6) HA GLU 66 - HB2 GLN 122 OK 14 100 - 14 - 2231/4.0=3, 10605/3.0=2...(6) HA GLU 92 - HB2 GLN 122 lone 6 99 - 6 - 8290=1, 8290/1.8=1 HA GLU 92 - HB3 GLN 122 lone 6 99 - 6 - 8290=1, 8290/1.8=1 HA GLU 87 - HB3 GLN 122 lone 4 96 - 4 - 8164/4.0=2 HA GLU 87 - HB2 GLN 122 lone 4 96 - 4 - 8164/4.0=2 HA LYS 40 - HB3 GLN 122 lone 4 99 - 4 - 8292=1 HA LYS 40 - HB2 GLN 122 lone 4 99 - 4 - 8292=1 HB3 SER 126 - HB2 GLN 122 lone 1 100 - 1 - HB3 SER 126 - HB3 GLN 122 lone 1 100 - 1 - HB2 SER 126 - HB2 GLN 122 lone 1 99 - 1 - HB2 SER 126 - HB3 GLN 122 lone 1 99 - 1 - HA GLU 13 - HB3 GLN 122 lone 1 100 - 1 - HA GLU 13 - HB2 GLN 122 lone 1 100 - 1 - HA SER 35 - HB3 GLN 122 lone 1 61 - 1 - HA SER 35 - HB2 GLN 122 lone 1 61 - 1 - HA3 GLY 101 - HB3 GLN 122 lone 1 65 - 1 - HA3 GLY 101 - HB2 GLN 122 lone 1 65 - 1 - HA3 GLY 75 - HB3 GLN 122 lone 0 77 - 1 - HA3 GLY 75 - HB2 GLN 122 lone 0 77 - 1 - Peak 8296 from cnoeabs.peaks (8.40, 4.02, 56.87 ppm; 5.23 A): 2 out of 3 assignments used, quality = 0.69: * H LYS 123 + HA PHE 120 OK 64 100 - 64 - 2235/3.6=35, 3.7/8297=11...(10) H MET 67 + HA PHE 120 OK 15 98 - 15 - 2228/3.6=5, 4.1/10555=2...(5) H ASP 36 - HA PHE 120 lone 3 87 - 3 - 2228/3.6=1 Peak 8297 from cnoeabs.peaks (1.93, 4.02, 56.87 ppm; 4.21 A): 4 out of 20 assignments used, quality = 0.68: * HB2 LYS 123 + HA PHE 120 OK 40 100 - 41 - 3.7/8296=15, 3.8/11470=9...(8) HB ILE 15 + HA PHE 120 OK 25 61 - 41 - 2.9/10556=11...(14) HG2 MET 121 + HA PHE 120 OK 18 70 - 26 - 1797/3.6=9, 3.4/11470=7...(5) HB2 LEU 81 + HA PHE 120 OK 12 77 - 15 - 4703/3.7=7, 9944/5.6=6 HB2 LYS 65 - HA PHE 120 lone 7 100 - 7 - 2.9/10557=2, 11057/3.7=1 HB3 LYS 65 - HA PHE 120 lone 7 100 - 7 - 2.9/10557=2, 11057/3.7=1 HB3 LYS 17 - HA PHE 120 lone 4 87 - 5 - 3.7/10557=2, 4.0/1989=1 HB3 LYS 115 - HA PHE 120 lone 4 100 - 4 - HB2 LYS 39 - HA PHE 120 lone 3 100 - 3 - HB2 LYS 115 - HA PHE 120 lone 3 98 - 3 - HB2 LEU 127 - HA PHE 120 lone 3 100 - 3 - HB3 LYS 40 - HA PHE 120 lone 2 90 - 3 - HB3 LYS 39 - HA PHE 120 lone 2 81 - 3 - HB2 LEU 70 - HA PHE 120 lone 2 96 - 2 - HB3 MET 42 - HA PHE 120 lone 2 73 - 2 - HB3 GLU 41 - HA PHE 120 lone 1 77 - 2 - HB2 GLU 41 - HA PHE 120 lone 1 73 - 2 - HB3 GLU 52 - HA PHE 120 lone 1 65 - 1 - HB VAL 104 - HA PHE 120 lone 1 87 - 1 - HB VAL 29 - HA PHE 120 lone 0 61 - 1 - Peak 8298 from cnoeabs.peaks (4.02, 1.93, 32.31 ppm; 2.88 A): 2 out of 96 assignments used, quality = 1.00: HA LYS 123 + HB2 LYS 123 OK 99 100 - 99 - 2.9=97, 7070/1.8=11...(18) HA LYS 40 + HB3 LYS 40 OK 71 74 - 96 - 3.0=88, 3650/1.8=25...(16) HA GLU 66 - HB2 LYS 65 OK 41 99 - 42 - 2.9/7624=8, 7069=6...(13) HA GLU 66 - HB3 LYS 65 OK 41 99 - 42 - 2.9/7624=8, 7069=6...(13) HA LYS 40 - HB2 LYS 39 OK 26 69 - 37 - 3.0/220=6, 3651=5...(12) ! HA PHE 120 - HB2 LYS 123 OK 22 100 - 22 - 8296/3.7=6, 8297=5...(6) HA LYS 40 - HB3 LYS 39 OK 13 36 - 37 - 3651=6, 3.0/220=5...(12) HA GLU 66 - HB3 LYS 115 OK 11 93 - 12 - 2.9/400=2, 7069=2...(5) HA LYS 123 - HB2 LYS 65 OK 11 99 - 11 - 7069=1, 3.0/1810=1...(4) HA GLU 66 - HB2 LYS 115 OK 11 86 - 13 - 2.9/400=2, 7069=2...(5) HA LYS 123 - HB3 LYS 65 OK 10 99 - 10 - 3.0/1810=1, 7069=1...(5) HA GLU 119 - HB3 LYS 115 lone 8 92 - 9 - ~8266=5, ~2217=2, 3651=1 HA GLU 119 - HB2 LYS 115 lone 7 85 - 9 - ~8266=5, ~2217=2 HA LYS 123 - HB3 LYS 115 lone 7 94 - 7 - 7069=1 HA GLU 66 - HB2 LYS 123 lone 6 99 - 6 - 2.9/7624=1 HA LYS 123 - HB2 LYS 39 lone 6 68 - 9 - 7069=1, 4.6/7119=1, 4.6/7129=1 HA LYS 123 - HB2 LYS 115 lone 6 87 - 7 - HA PHE 120 - HB2 LYS 65 lone 4 100 - 4 - HA PHE 120 - HB3 LYS 65 lone 4 100 - 4 - HA LYS 40 - HB2 LYS 123 lone 4 100 - 4 - HA LYS 123 - HB3 LYS 39 lone 3 35 - 8 - HA GLU 119 - HB3 LYS 40 lone 2 71 - 3 - HA LYS 40 - HB2 LYS 115 lone 2 88 - 2 - HA GLU 119 - HB2 LYS 65 lone 2 98 - 2 - HA GLU 119 - HB3 LYS 65 lone 2 98 - 2 - HA LYS 40 - HB3 LYS 65 lone 2 100 - 2 - HA LYS 40 - HB2 LYS 65 lone 2 100 - 2 - HA LYS 40 - HB3 LYS 115 lone 2 95 - 2 - HA LYS 123 - HB3 LYS 40 lone 2 73 - 3 - HA PHE 120 - HB3 LYS 115 lone 2 95 - 2 - HA PHE 120 - HB2 LYS 115 lone 2 88 - 2 - HA GLU 13 - HB3 LYS 115 lone 1 93 - 2 - HA GLU 119 - HB2 LYS 123 lone 1 99 - 1 - HA GLU 13 - HB2 LYS 123 lone 1 99 - 1 - HA GLU 13 - HB2 LYS 115 lone 1 86 - 2 - HA GLU 13 - HB3 LYS 40 lone 1 72 - 2 - HA PHE 120 - HB2 LYS 39 lone 1 69 - 2 - HA GLU 87 - HB2 LYS 65 lone 1 83 - 1 - HA GLU 87 - HB3 LYS 65 lone 1 83 - 1 - HB2 SER 126 - HB3 LYS 40 lone 1 73 - 2 - HB3 SER 126 - HB3 LYS 40 lone 1 66 - 2 - HA GLU 92 - HB2 LYS 123 lone 1 92 - 1 - HA PHE 120 - HB3 LYS 40 lone 1 74 - 1 - HA GLU 66 - HB2 LYS 39 lone 1 67 - 1 - HA GLU 66 - HB3 LYS 40 lone 1 72 - 1 - HA GLU 13 - HB2 LYS 39 lone 1 67 - 1 - HB2 SER 126 - HB2 LYS 123 lone 1 100 - 1 - HA3 GLY 75 - HB3 LYS 115 lone 1 83 - 1 - HB3 SER 126 - HB2 LYS 123 lone 1 96 - 1 - HA GLU 13 - HB3 LYS 65 lone 1 99 - 1 - HA GLU 13 - HB2 LYS 65 lone 1 99 - 1 - HA3 GLY 75 - HB2 LYS 115 lone 1 76 - 1 - HA3 GLY 75 - HB2 LYS 123 lone 1 92 - 1 - HA PHE 120 - HB3 LYS 39 lone 1 36 - 2 - HA GLU 87 - HB3 LYS 115 lone 0 75 - 1 - HA GLU 66 - HB3 LYS 39 lone 1 35 - 1 - HA GLU 92 - HB3 LYS 40 lone 0 62 - 1 - HA GLU 87 - HB2 LYS 115 lone 0 68 - 1 - HA GLU 92 - HB2 LYS 65 lone 0 91 - 0 - HA GLU 92 - HB3 LYS 65 lone 0 91 - 0 - HA GLU 87 - HB2 LYS 123 lone 0 84 - 0 - HB2 SER 126 - HB2 LYS 65 lone 0 100 - 0 - HB2 SER 126 - HB3 LYS 65 lone 0 100 - 0 - HB2 SER 126 - HB3 LYS 115 lone 0 95 - 0 - HA3 GLY 75 - HB3 LYS 40 lone 0 62 - 1 - HB3 SER 126 - HB2 LYS 65 lone 0 95 - 0 - HB3 SER 126 - HB3 LYS 65 lone 0 95 - 0 - HB2 SER 126 - HB2 LYS 115 lone 0 88 - 0 - HB3 SER 126 - HB3 LYS 115 lone 0 88 - 0 - HA GLU 92 - HB3 LYS 115 lone 0 83 - 0 - HA3 GLY 75 - HB2 LYS 65 lone 0 91 - 0 - HA3 GLY 75 - HB3 LYS 65 lone 0 91 - 0 - HA3 GLY 101 - HB3 LYS 115 lone 0 75 - 0 - HA GLU 13 - HB3 LYS 39 lone 0 35 - 1 - HB3 SER 126 - HB2 LYS 115 lone 0 80 - 0 - HA GLU 119 - HB2 LYS 39 lone 0 66 - 0 - HA GLU 92 - HB2 LYS 115 lone 0 76 - 0 - HA3 GLY 101 - HB2 LYS 115 lone 0 68 - 0 - HA3 GLY 101 - HB2 LYS 65 lone 0 83 - 0 - HA3 GLY 101 - HB3 LYS 65 lone 0 83 - 0 - HA GLU 87 - HB3 LYS 40 lone 0 55 - 0 - HA3 GLY 101 - HB2 LYS 123 lone 0 84 - 0 - HA GLU 87 - HB2 LYS 39 lone 0 51 - 0 - HA GLU 92 - HB2 LYS 39 lone 0 58 - 0 - HB2 SER 126 - HB2 LYS 39 lone 0 69 - 0 - HA3 GLY 75 - HB2 LYS 39 lone 0 58 - 0 - HA3 GLY 101 - HB3 LYS 40 lone 0 55 - 0 - HB3 SER 126 - HB2 LYS 39 lone 0 62 - 0 - HA GLU 119 - HB3 LYS 39 lone 0 34 - 0 - HA3 GLY 101 - HB2 LYS 39 lone 0 51 - 0 - HA3 GLY 75 - HB3 LYS 39 lone 0 29 - 0 - HA GLU 92 - HB3 LYS 39 lone 0 29 - 0 - HB2 SER 126 - HB3 LYS 39 lone 0 36 - 0 - HB3 SER 126 - HB3 LYS 39 lone 0 32 - 0 - HA GLU 87 - HB3 LYS 39 lone 0 25 - 0 - HA3 GLY 101 - HB3 LYS 39 lone 0 25 - 0 - Peak 8299 from cnoeabs.peaks (1.91, 4.02, 56.87 ppm; 4.27 A): 4 out of 19 assignments used, quality = 0.82: HB ILE 15 + HA PHE 120 OK 44 100 - 44 - 2.9/10556=11...(15) * HB3 LYS 123 + HA PHE 120 OK 42 100 - 42 - 3.7/8296=16...(9) HG2 MET 121 + HA PHE 120 OK 31 100 - 31 - 1797/3.6=13, 3.4/11470=7...(7) HB2 LEU 81 + HA PHE 120 OK 17 99 - 18 - 9944/5.6=9, 4703/3.7=7 HB2 LYS 43 - HA PHE 120 lone 7 97 - 7 - 3.0/10557=2, 4.0/2055=1 HB3 LYS 43 - HA PHE 120 lone 6 84 - 7 - 3.0/10557=2, 4.0/2055=1 HB3 LYS 17 - HA PHE 120 lone 5 96 - 6 - 3.7/10557=2, 4.0/1989=1 HB2 LYS 44 - HA PHE 120 lone 4 100 - 4 - HB3 LYS 65 - HA PHE 120 lone 4 61 - 6 - 2.9/10557=2 HB3 LYS 44 - HA PHE 120 lone 4 96 - 4 - HB2 LEU 45 - HA PHE 120 lone 3 92 - 4 - HB2 ARG 95 - HA PHE 120 lone 3 70 - 5 - 3.9/2159=1 HB2 LYS 115 - HA PHE 120 lone 3 81 - 3 - HB2 GLU 128 - HA PHE 120 lone 2 84 - 2 - HB2 LEU 127 - HA PHE 120 lone 2 61 - 3 - HB2 LYS 96 - HA PHE 120 lone 1 84 - 2 - HB ILE 71 - HA PHE 120 lone 1 65 - 2 - HB2 LYS 73 - HA PHE 120 lone 1 61 - 2 - HB2 LYS 49 - HA PHE 120 lone 1 77 - 1 - Peak 8300 from cnoeabs.peaks (4.02, 1.91, 32.31 ppm; 2.84 A): 1 out of 72 assignments used, quality = 0.97: HA LYS 123 + HB3 LYS 123 OK 97 100 - 97 - 2.9=93, 7069/1.8=10...(18) ! HA PHE 120 - HB3 LYS 123 OK 22 100 - 22 - 8296/3.7=6, 8297/1.8=4...(7) HA LYS 40 - HB2 LYS 96 OK 13 43 - 30 - 8064=7, 3650/1.8=4...(10) HA LYS 123 - HB2 LYS 44 poor 9 71 - 13 - 7070=2, 7070/1.8=1...(5) HA LYS 40 - HB2 LYS 44 poor 8 72 - 11 - 8064=3, 8064/1.8=2, ~8044=1 HA LYS 123 - HB3 LYS 44 poor 8 60 - 13 - 7070=2, 7070/1.8=1...(5) HA GLU 66 - HB3 LYS 123 lone 7 99 - 7 - 7070=1 HA LYS 40 - HB3 LYS 44 poor 6 61 - 11 - 8064=3, 8064/1.8=2, ~8044=1 HA GLU 66 - HB2 LYS 115 poor 6 53 - 11 - ~7625=1, 7070=1, ~402=1 HA GLU 119 - HB2 LYS 115 lone 4 53 - 8 - ~8266=5, ~2217=2 HA LYS 40 - HB3 LYS 123 lone 4 100 - 4 - 8064=1 HA LYS 123 - HB2 LYS 115 lone 3 54 - 6 - HA LYS 123 - HB2 LYS 96 lone 2 42 - 6 - 8202/1.8=1 HB2 SER 126 - HB3 LYS 123 lone 2 100 - 2 - 4.0/10639=2 HB3 SER 126 - HB3 LYS 123 lone 2 96 - 2 - 4.0/10639=2 HA GLU 119 - HB3 LYS 123 lone 2 99 - 2 - HA PHE 120 - HB2 LYS 44 lone 1 72 - 2 - HA LYS 123 - HB2 LYS 49 lone 1 46 - 3 - HA GLU 92 - HB3 LYS 123 lone 1 92 - 1 - HA GLU 13 - HB3 LYS 123 lone 1 99 - 1 - HA GLU 66 - HB2 LYS 44 lone 1 71 - 1 - HA LYS 40 - HB2 LYS 115 lone 1 55 - 2 - HA PHE 120 - HB3 LYS 44 lone 1 61 - 2 - HA GLU 66 - HB3 LYS 44 lone 1 60 - 1 - HA PHE 120 - HB2 LYS 115 lone 1 55 - 2 - HA GLU 92 - HB2 LYS 44 lone 1 61 - 1 - HA GLU 66 - HB2 LYS 96 lone 1 42 - 2 - HA GLU 13 - HB2 LYS 115 lone 1 53 - 1 - HA3 GLY 75 - HB3 LYS 123 lone 1 92 - 1 - HA GLU 92 - HB3 LYS 44 lone 1 51 - 1 - HA GLU 119 - HB2 LYS 44 lone 1 70 - 1 - HA GLU 92 - HB2 LYS 96 lone 1 35 - 2 - HA3 GLY 75 - HB2 LYS 115 lone 1 46 - 1 - HA GLU 119 - HB3 LYS 44 lone 1 59 - 1 - HA GLU 87 - HB3 LYS 123 lone 0 84 - 1 - HA GLU 13 - HB2 LYS 44 lone 0 71 - 1 - HB2 SER 126 - HB2 LYS 44 lone 0 72 - 1 - HA GLU 13 - HB3 LYS 44 lone 0 60 - 1 - HB3 SER 126 - HB2 LYS 44 lone 0 65 - 1 - HB2 SER 126 - HB3 LYS 44 lone 0 61 - 0 - HB3 SER 126 - HB3 LYS 44 lone 0 55 - 0 - HA PHE 120 - HB2 LYS 96 lone 0 43 - 1 - HB2 SER 126 - HB2 LYS 96 lone 0 43 - 1 - HA GLU 87 - HB2 LYS 115 lone 0 40 - 1 - HA3 GLY 101 - HB3 LYS 123 lone 0 84 - 0 - HA3 GLY 75 - HB2 LYS 44 lone 0 61 - 0 - HA GLU 119 - HB2 LYS 96 lone 0 41 - 1 - HA PHE 120 - HB2 LYS 49 lone 0 47 - 0 - HB2 SER 126 - HB2 LYS 115 lone 0 55 - 0 - HA GLU 13 - HB2 LYS 96 lone 0 42 - 0 - HB3 SER 126 - HB2 LYS 96 lone 0 38 - 1 - HA GLU 87 - HB2 LYS 44 lone 0 54 - 0 - HA3 GLY 75 - HB2 LYS 49 lone 0 39 - 0 - HA3 GLY 75 - HB3 LYS 44 lone 0 51 - 0 - HB3 SER 126 - HB2 LYS 115 lone 0 49 - 0 - HB2 SER 126 - HB2 LYS 49 lone 0 47 - 0 - HA GLU 92 - HB2 LYS 115 lone 0 46 - 0 - HA LYS 40 - HB2 LYS 49 lone 0 47 - 0 - HA GLU 87 - HB3 LYS 44 lone 0 45 - 0 - HA3 GLY 101 - HB2 LYS 115 lone 0 40 - 0 - HB3 SER 126 - HB2 LYS 49 lone 0 41 - 0 - HA GLU 66 - HB2 LYS 49 lone 0 45 - 0 - HA GLU 119 - HB2 LYS 49 lone 0 45 - 0 - HA3 GLY 101 - HB2 LYS 44 lone 0 54 - 0 - HA GLU 13 - HB2 LYS 49 lone 0 45 - 0 - HA GLU 92 - HB2 LYS 49 lone 0 39 - 0 - HA3 GLY 75 - HB2 LYS 96 lone 0 35 - 0 - HA3 GLY 101 - HB3 LYS 44 lone 0 45 - 0 - HA GLU 87 - HB2 LYS 96 lone 0 31 - 0 - HA GLU 87 - HB2 LYS 49 lone 0 34 - 0 - HA3 GLY 101 - HB2 LYS 49 lone 0 34 - 0 - HA3 GLY 101 - HB2 LYS 96 lone 0 31 - 0 - Peak 8303 from cnoeabs.peaks (8.60, 3.93, 59.78 ppm; 6.00 A): 2 out of 8 assignments used, quality = 0.78: * H ALA 124 + HA MET 121 OK 75 100 - 76 - 2.9/8305=37, 2241=33...(8) H ILE 71 + HA MET 121 OK 10 100 - 10 - 2233/3.6=4, 2118=1 H LYS 94 - HA MET 121 lone 5 99 - 5 - 2233/3.6=2 H GLN 85 - HA MET 121 lone 4 73 - 6 - 2233/3.6=4 H THR 108 - HA MET 121 lone 4 100 - 4 - 2233/3.6=2 H LEU 80 - HA MET 121 lone 4 100 - 4 - 2233/3.6=2 H LYS 49 - HA MET 121 lone 3 98 - 3 - 2233/3.6=1 H ASP 12 - HA MET 121 lone 2 77 - 2 - Peak 8304 from cnoeabs.peaks (1.50, 3.93, 59.78 ppm; 3.99 A): 1 out of 12 assignments used, quality = 0.49: * QB ALA 124 + HA MET 121 OK 49 100 - 50 - 8305=37, 2.9/2241=13 HB3 LEU 14 - HA MET 121 lone 8 98 - 8 - 1.8/6991=3, 10587/2.9=2...(4) HB2 LEU 6 - HA MET 121 lone 8 99 - 8 - 10587/2.9=2, ~10589=2...(4) HG LEU 6 - HA MET 121 lone 7 73 - 9 - ~10589=3, 10587/2.9=2...(5) HB3 LEU 45 - HA MET 121 lone 3 65 - 4 - HG2 LYS 43 - HA MET 121 lone 2 94 - 2 - HD3 LYS 17 - HA MET 121 lone 1 84 - 1 - HG2 ARG 30 - HA MET 121 lone 1 97 - 1 - HB3 ARG 30 - HA MET 121 lone 1 92 - 1 - HG2 LYS 20 - HA MET 121 lone 1 100 - 1 - HB2 LYS 61 - HA MET 121 lone 1 84 - 1 - HG LEU 38 - HA MET 121 lone 1 70 - 1 - Peak 8305 from cnoeabs.peaks (3.93, 1.50, 18.93 ppm; 4.04 A): 0 out of 5 assignments used, low quality = 0.44: ! HA MET 121 - QB ALA 124 OK 44 100 - 44 - 8304=30, 2241/2.9=13 HA MET 67 - QB ALA 124 poor 7 70 - 11 - 2241/2.9=4, ~784=2, ~2098=2 HA ILE 97 - QB ALA 124 lone 3 97 - 3 - 2241/2.9=1 HB2 SER 35 - QB ALA 124 lone 2 87 - 2 - HB3 SER 35 - QB ALA 124 lone 1 65 - 2 - Peak 8307 from cnoeabs.peaks (8.60, 4.13, 58.74 ppm; 4.57 A): 1 out of 8 assignments used, quality = 0.51: * H ALA 124 + HA GLN 122 OK 51 100 - 51 - 784/3.6=29, 2233/3.0=16 H GLN 85 - HA GLN 122 poor 10 73 - 13 - 5.0/7031=3, 5.0/7031=3...(5) H ILE 71 - HA GLN 122 lone 9 100 - 9 - 1966/3.6=5, 2233/3.0=3 H LYS 94 - HA GLN 122 lone 5 99 - 5 - 2233/3.0=2, 1966/3.6=1 H THR 108 - HA GLN 122 lone 3 100 - 3 - 2233/3.0=1 H LEU 80 - HA GLN 122 lone 3 100 - 3 - 2233/3.0=1 H LYS 49 - HA GLN 122 lone 3 98 - 3 - H ASP 12 - HA GLN 122 lone 1 77 - 1 - Peak 8308 from cnoeabs.peaks (7.95, 4.13, 58.74 ppm; 4.55 A): 0 out of 5 assignments used, low quality = 0.44: ! H GLY 125 - HA GLN 122 OK 30 100 - 30 - 2245/3.6=14, 4.6/8307=14 H GLU 91 - HA GLN 122 OK 20 94 - 21 - 566/3.0=6, 2137=5...(7) H GLY 101 - HA GLN 122 lone 2 99 - 2 - H LYS 53 - HA GLN 122 lone 1 84 - 1 - HD21 ASN 33 - HA GLN 122 lone 1 90 - 1 - Peak 8311 from cnoeabs.peaks (7.86, 4.03, 59.24 ppm; 5.06 A): 0 out of 20 assignments used, low quality = 0.40: ! H SER 126 - HA LYS 123 OK 28 100 - 28 - 2250/3.6=16, 10639/2.9=7...(4) H SER 126 - HA GLU 92 OK 17 93 - 18 - 2253/3.0=7, ~8331=5...(5) HE21 GLN 62 - HA GLU 66 lone 4 72 - 6 - 4.4/2609=1, 4.4/2609=1 H ASP 60 - HA GLU 66 lone 3 93 - 3 - 9649/11049=1 H SER 126 - HA GLU 66 lone 2 95 - 2 - HE21 GLN 62 - HA LYS 123 lone 2 81 - 2 - H ASP 60 - HA LYS 123 lone 1 99 - 1 - H ASP 60 - HA GLU 92 lone 1 92 - 1 - H SER 126 - HA GLU 13 lone 1 74 - 1 - H ASP 60 - HA GLU 13 lone 1 72 - 1 - HE21 GLN 62 - HA GLU 92 lone 1 70 - 1 - H SER 126 - HA GLU 119 lone 1 60 - 2 - HE21 GLN 62 - HA GLU 13 lone 1 52 - 2 - H ASP 60 - HA GLU 119 lone 1 58 - 1 - H TYR 27 - HA LYS 123 lone 1 73 - 1 - H TYR 27 - HA GLU 66 lone 1 65 - 1 - H TYR 27 - HA GLU 92 lone 1 63 - 1 - H TYR 27 - HA GLU 13 lone 1 47 - 1 - HE21 GLN 62 - HA GLU 119 lone 1 42 - 1 - H TYR 27 - HA GLU 119 lone 0 37 - 1 - Peak 8312 from cnoeabs.peaks (4.02, 4.03, 59.24 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HA LYS 123 + HA LYS 123 OK 100 100 - 100 HA GLU 66 + HA GLU 66 OK 94 94 - 100 HA GLU 92 + HA GLU 92 OK 84 84 - 100 HA GLU 13 + HA GLU 13 OK 73 73 - 100 HA GLU 119 + HA GLU 119 OK 58 58 - 100 Reference assignment not found: HB2 SER 126 - HA LYS 123 Peak 8313 from cnoeabs.peaks (4.03, 4.02, 63.46 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB2 SER 126 + HB2 SER 126 OK 100 100 - 100 HB3 SER 126 + HB3 SER 126 OK 91 91 - 100 Reference assignment not found: HA LYS 123 - HB2 SER 126 Peak 8314 from cnoeabs.peaks (4.03, 4.03, 59.24 ppm; diagonal): 5 out of 5 assignments used, quality = 1.00: HA LYS 123 + HA LYS 123 OK 99 99 - 100 HA GLU 66 + HA GLU 66 OK 93 93 - 100 HA GLU 92 + HA GLU 92 OK 93 93 - 100 HA GLU 13 + HA GLU 13 OK 72 72 - 100 HA GLU 119 + HA GLU 119 OK 59 59 - 100 Reference assignment not found: HB3 SER 126 - HA LYS 123 Peak 8315 from cnoeabs.peaks (4.03, 4.03, 63.46 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: HB3 SER 126 + HB3 SER 126 OK 99 99 - 100 HB2 SER 126 + HB2 SER 126 OK 93 93 - 100 Reference assignment not found: HA LYS 123 - HB3 SER 126 Peak 8317 from cnoeabs.peaks (7.86, 4.14, 54.65 ppm; 5.20 A): 1 out of 4 assignments used, quality = 0.80: * H SER 126 + HA ALA 124 OK 80 100 - 80 - 1968/3.6=38, 10635=32...(7) H ASP 60 - HA ALA 124 lone 3 99 - 3 - H TYR 27 - HA ALA 124 lone 3 73 - 4 - 4.4/4577=2 HE21 GLN 62 - HA ALA 124 lone 1 81 - 2 - Peak 8318 from cnoeabs.peaks (7.88, 4.14, 54.65 ppm; 4.84 A): 1 out of 2 assignments used, quality = 0.71: * H LEU 127 + HA ALA 124 OK 71 100 - 71 - 2257=28, 4.6/10635=18...(7) HD21 ASN 88 - HA ALA 124 lone 2 96 - 2 - Peak 8319 from cnoeabs.peaks (1.93, 4.14, 54.65 ppm; 4.41 A): 3 out of 20 assignments used, quality = 0.78: * HB2 LEU 127 + HA ALA 124 OK 63 100 - 63 - 4.0/8318=22, 1.8/8321=22...(8) HB2 LYS 123 + HA ALA 124 OK 32 100 - 32 - 786/3.0=17, ~787=10...(5) HB3 LYS 123 + HA ALA 124 OK 13 61 - 22 - ~786=11, 787/3.0=9 HB2 LYS 65 - HA ALA 124 lone 8 100 - 8 - 786/3.0=2, 11055/10625=2...(4) HB3 LYS 65 - HA ALA 124 lone 8 100 - 8 - 786/3.0=2, 11055/10625=2...(4) HB2 LEU 70 - HA ALA 124 lone 7 94 - 7 - 786/3.0=2, ~7657=1, ~7656=1 HB ILE 15 - HA ALA 124 lone 6 65 - 9 - ~10619=3, ~10620=3, ~9172=1 HB3 LYS 115 - HA ALA 124 lone 4 100 - 4 - HB2 LYS 115 - HA ALA 124 lone 3 99 - 3 - HB2 LYS 39 - HA ALA 124 lone 3 100 - 3 - HG2 MET 121 - HA ALA 124 lone 2 73 - 3 - 786/3.0=2 HB3 LYS 40 - HA ALA 124 lone 2 87 - 2 - HB3 MET 42 - HA ALA 124 lone 2 70 - 2 - HB3 LYS 39 - HA ALA 124 lone 2 77 - 2 - HB2 LEU 81 - HA ALA 124 lone 2 81 - 2 - HB VAL 104 - HA ALA 124 lone 1 84 - 2 - HB3 LYS 17 - HA ALA 124 lone 1 90 - 1 - HB3 GLU 41 - HA ALA 124 lone 1 73 - 1 - HB2 GLU 41 - HA ALA 124 lone 1 70 - 1 - HB3 GLU 52 - HA ALA 124 lone 1 61 - 1 - Peak 8320 from cnoeabs.peaks (4.14, 1.93, 42.07 ppm; 3.65 A): 1 out of 1 assignment used, quality = 0.47: HA LEU 70 + HB2 LEU 70 OK 47 47 - 100 - 3.0=100 Reference assignment not found: HA ALA 124 - HB2 LEU 127 Peak 8321 from cnoeabs.peaks (1.61, 4.14, 54.65 ppm; 4.74 A): 1 out of 14 assignments used, quality = 0.76: * HB3 LEU 127 + HA ALA 124 OK 76 100 - 76 - 8322=29, 4.0/8318=26...(11) HD3 LYS 77 - HA ALA 124 lone 8 92 - 8 - 11552/10692=3...(3) HD2 LYS 77 - HA ALA 124 lone 7 90 - 8 - 11552/10692=3...(3) HG2 LYS 73 - HA ALA 124 lone 7 73 - 10 - 2.9/10630=3, 2.9/10630=2 HG LEU 63 - HA ALA 124 lone 4 97 - 4 - HB2 LEU 82 - HA ALA 124 lone 3 96 - 3 - HB ILE 116 - HA ALA 124 lone 3 70 - 4 - 2.9/10615=1 HG3 LYS 40 - HA ALA 124 lone 2 97 - 3 - HB3 LEU 64 - HA ALA 124 lone 2 73 - 3 - HG2 LYS 16 - HA ALA 124 lone 2 81 - 3 - HG LEU 82 - HA ALA 124 lone 2 77 - 3 - 4654/10625=1 HG3 LYS 19 - HA ALA 124 lone 1 70 - 1 - HD3 LYS 19 - HA ALA 124 lone 1 61 - 1 - HD2 LYS 19 - HA ALA 124 lone 1 61 - 1 - Peak 8322 from cnoeabs.peaks (4.14, 1.61, 42.07 ppm; 4.43 A): 2 out of 9 assignments used, quality = 0.75: * HA ALA 124 + HB3 LEU 127 OK 71 100 - 72 - 8321=26, 8318/4.0=23...(11) HA ARG 95 + HB3 LEU 127 OK 13 98 - 14 - 2264/4.2=4, 10653/3.1=4...(4) HA LEU 70 - HB3 LEU 127 poor 9 70 - 13 - 10653/3.1=3, 2257/4.0=2...(8) HA GLU 89 - HB3 LEU 127 lone 8 100 - 8 - 2264/4.2=3, 10653/3.1=2 HA LEU 63 - HB3 LEU 127 lone 7 92 - 8 - 10653/3.1=2, 2264/4.2=2 HA LEU 45 - HB3 LEU 127 lone 7 99 - 7 - 10653/3.1=2, 2264/4.2=1...(4) HA GLN 122 - HB3 LEU 127 lone 5 94 - 5 - 2257/4.0=1, 10653/3.1=1 HA VAL 22 - HB3 LEU 127 lone 3 87 - 3 - HA3 GLY 26 - HB3 LEU 127 lone 1 65 - 1 - Peak 8325 from cnoeabs.peaks (8.08, 4.05, 46.29 ppm; 6.20 A): 4 out of 8 assignments used, quality = 0.90: * H GLU 128 + HA2 GLY 125 OK 66 100 - 66 - 2262=19, 2253/3.6=19...(7) H GLU 128 + HA3 GLY 125 OK 52 78 - 66 - 2262/1.8=19, 2253/3.6=19...(7) H GLU 92 + HA2 GLY 125 OK 23 99 - 24 - 2253/3.6=10, 573/3.0=6...(5) H GLU 92 + HA3 GLY 125 OK 17 76 - 23 - 2253/3.6=10, 573/3.0=6...(5) H SER 99 - HA2 GLY 125 lone 5 77 - 6 - 2253/3.6=1 H PHE 93 - HA2 GLY 125 lone 4 61 - 6 - 2253/3.6=3 H SER 99 - HA3 GLY 125 lone 3 53 - 6 - 2253/3.6=1 H PHE 93 - HA3 GLY 125 lone 3 41 - 8 - 2253/3.6=3, 4.6/574=1 Peak 8326 from cnoeabs.peaks (1.90, 4.05, 46.29 ppm; 4.91 A): 4 out of 40 assignments used, quality = 0.82: * HB2 GLU 128 + HA2 GLY 125 OK 56 100 - 56 - 1.8/8329=18, ~8329=13...(8) HB2 GLU 128 + HA3 GLY 125 OK 44 78 - 56 - 1.8/8329=16, ~8329=14...(8) HB2 ARG 95 + HA2 GLY 125 OK 16 99 - 16 - 10639/3.6=2, 8327=2...(8) HB2 ARG 95 + HA3 GLY 125 OK 12 76 - 16 - 10639/3.6=2, 8327/1.8=2...(8) HB3 LYS 123 - HA2 GLY 125 poor 10 84 - 12 - 10639/3.6=6, 10621/4.6=4 HB2 LYS 96 - HA2 GLY 125 lone 9 100 - 9 - 1.8/8328=1, 10639/3.6=1 HB2 LYS 96 - HA3 GLY 125 lone 7 78 - 9 - 10639/3.6=1, ~8328=1 HB3 LYS 123 - HA3 GLY 125 poor 7 59 - 12 - 10639/3.6=6, 10621/4.6=4 HB3 LYS 44 - HA2 GLY 125 lone 7 99 - 7 - 10639/3.6=1 HB ILE 71 - HA2 GLY 125 lone 7 99 - 7 - 10621/4.6=3, 10639/3.6=2 HB2 LYS 44 - HA2 GLY 125 lone 6 92 - 7 - HB3 LYS 44 - HA3 GLY 125 lone 5 75 - 7 - 10639/3.6=1 HB2 LYS 73 - HA2 GLY 125 lone 5 98 - 5 - 10621/4.6=1 HB ILE 71 - HA3 GLY 125 lone 5 75 - 7 - 10621/4.6=3, 10639/3.6=2 HB3 LYS 73 - HA2 GLY 125 lone 5 97 - 5 - 10621/4.6=1 HB2 LYS 44 - HA3 GLY 125 lone 4 66 - 6 - HB3 LYS 43 - HA2 GLY 125 lone 4 100 - 4 - 10621/4.6=1, 10639/3.6=1 HB2 LYS 43 - HA2 GLY 125 lone 4 98 - 4 - 10621/4.6=1, 10639/3.6=1 HB2 LEU 45 - HA2 GLY 125 lone 4 100 - 4 - 10621/4.6=1, 10639/3.6=1 HB2 LYS 73 - HA3 GLY 125 lone 4 74 - 5 - 10621/4.6=1 HB3 LYS 73 - HA3 GLY 125 lone 3 72 - 5 - 10621/4.6=1 HB3 LYS 43 - HA3 GLY 125 lone 3 78 - 4 - 10621/4.6=1, 10639/3.6=1 HB2 LEU 45 - HA3 GLY 125 lone 3 77 - 4 - 10621/4.6=1, 10639/3.6=1 HB2 LYS 43 - HA3 GLY 125 lone 3 74 - 4 - 10621/4.6=1, 10639/3.6=1 HB2 LYS 20 - HA2 GLY 125 lone 3 90 - 3 - 10621/4.6=1 HB3 LYS 20 - HA2 GLY 125 lone 3 90 - 3 - 10621/4.6=1 HB ILE 15 - HA2 GLY 125 lone 2 81 - 3 - 10621/4.6=1 HB2 LYS 49 - HA2 GLY 125 lone 2 100 - 2 - HB3 LYS 20 - HA3 GLY 125 lone 2 64 - 3 - 10621/4.6=1 HB2 LYS 20 - HA3 GLY 125 lone 2 64 - 3 - 10621/4.6=1 HB2 LYS 49 - HA3 GLY 125 lone 2 78 - 2 - HB ILE 15 - HA3 GLY 125 lone 2 56 - 3 - 10621/4.6=1 HB ILE 7 - HA2 GLY 125 lone 1 94 - 2 - HG LEU 45 - HA2 GLY 125 lone 1 61 - 2 - HB ILE 7 - HA3 GLY 125 lone 1 69 - 2 - HG2 MET 121 - HA2 GLY 125 lone 1 73 - 1 - HB2 LEU 81 - HA2 GLY 125 lone 1 65 - 1 - HG LEU 45 - HA3 GLY 125 lone 1 41 - 2 - HG2 MET 121 - HA3 GLY 125 lone 1 50 - 1 - HB2 LEU 81 - HA3 GLY 125 lone 1 44 - 1 - Peak 8327 from cnoeabs.peaks (4.05, 1.90, 29.83 ppm; 4.02 A): 6 out of 18 assignments used, quality = 0.90: HA LYS 96 + HB2 ARG 95 OK 52 80 - 65 - 2.9/7789=14, ~7790=11...(20) * HA2 GLY 125 + HB2 GLU 128 OK 42 100 - 43 - 8329/1.8=14, ~8329=9...(8) HA3 GLY 125 + HB2 GLU 128 OK 38 90 - 43 - 8329/1.8=13, ~8329=10...(8) HA GLU 92 + HB2 ARG 95 OK 19 54 - 36 - 8202/1.8=7, 2159/3.9=4...(13) HA LYS 44 + HB2 ARG 95 OK 16 91 - 17 - 3.6/6023=9, 11427/3.0=3 HA2 GLY 125 + HB2 ARG 95 OK 11 99 - 11 - 8326=2, 3.6/10639=2...(5) HA3 GLY 125 - HB2 ARG 95 poor 9 86 - 11 - 1.8/8326=2, 3.6/10639=2...(6) HA LYS 96 - HB2 GLU 128 lone 8 84 - 10 - 8329/1.8=3, 2262/4.0=2 HA GLU 92 - HB2 GLU 128 poor 8 57 - 14 - 8329/1.8=3, 3.0/7229=3...(6) HA SER 35 - HB2 ARG 95 lone 4 96 - 4 - HA GLU 69 - HB2 GLU 128 lone 4 100 - 4 - 8329/1.8=1 HA LYS 44 - HB2 GLU 128 lone 3 94 - 4 - 8329/1.8=1 HA GLU 87 - HB2 ARG 95 lone 3 66 - 5 - 11427/3.0=1 HA GLU 37 - HB2 ARG 95 lone 3 94 - 3 - HA SER 35 - HB2 GLU 128 lone 2 98 - 2 - HA GLU 69 - HB2 ARG 95 lone 2 98 - 2 - HA GLU 37 - HB2 GLU 128 lone 2 97 - 2 - HA GLU 87 - HB2 GLU 128 lone 1 70 - 1 - Peak 8328 from cnoeabs.peaks (1.95, 4.05, 46.29 ppm; 5.02 A): 2 out of 26 assignments used, quality = 0.72: * HB3 GLU 128 + HA2 GLY 125 OK 52 100 - 53 - 8329=19, 8329/1.8=17...(6) HB3 GLU 128 + HA3 GLY 125 OK 42 78 - 54 - 8329/1.8=18, 8329=17...(7) HB3 LYS 40 - HA2 GLY 125 lone 9 94 - 9 - 1.8/8044=2, ~8044=2...(4) HB3 ARG 95 - HA2 GLY 125 poor 8 73 - 11 - 1.8/8326=3, 3.0/11427=2...(5) HB3 LYS 40 - HA3 GLY 125 lone 6 69 - 9 - 1.8/8044=2, ~8044=2...(4) HB3 ARG 95 - HA3 GLY 125 poor 6 50 - 12 - 1.8/8327=2, ~8326=2...(5) HB3 LYS 96 - HA2 GLY 125 lone 6 70 - 8 - 1.8/8326=2 HB3 LYS 96 - HA3 GLY 125 lone 4 47 - 8 - ~8326=1, 1.8/8326=1 HB2 GLU 41 - HA2 GLY 125 lone 2 99 - 2 - HB3 GLU 41 - HA2 GLY 125 lone 2 99 - 2 - HB3 LYS 39 - HA2 GLY 125 lone 2 98 - 2 - HB2 GLU 41 - HA3 GLY 125 lone 2 76 - 2 - HB3 GLU 41 - HA3 GLY 125 lone 2 75 - 2 - HB3 LYS 39 - HA3 GLY 125 lone 2 74 - 2 - HB2 LEU 70 - HA2 GLY 125 lone 1 87 - 1 - HB VAL 29 - HA2 GLY 125 lone 1 100 - 1 - HB3 MET 42 - HA2 GLY 125 lone 1 99 - 1 - HB3 GLU 52 - HA2 GLY 125 lone 1 100 - 1 - HB VAL 104 - HA2 GLY 125 lone 1 96 - 1 - HB VAL 29 - HA3 GLY 125 lone 1 78 - 1 - HB2 LEU 70 - HA3 GLY 125 lone 1 62 - 1 - HB3 MET 42 - HA3 GLY 125 lone 1 76 - 1 - HB3 GLU 52 - HA3 GLY 125 lone 1 78 - 1 - HB VAL 104 - HA3 GLY 125 lone 1 71 - 1 - HB3 GLU 21 - HA2 GLY 125 lone 1 61 - 1 - HB3 GLU 21 - HA3 GLY 125 lone 0 41 - 1 - Peak 8329 from cnoeabs.peaks (4.05, 1.95, 29.83 ppm; 4.03 A): 2 out of 9 assignments used, quality = 0.54: * HA2 GLY 125 + HB3 GLU 128 OK 33 100 - 33 - 8328=9, 2262/4.0=9...(6) HA3 GLY 125 + HB3 GLU 128 OK 31 90 - 35 - 1.8/8328=8, 2262/4.0=8...(7) HA GLU 92 - HB3 GLU 128 poor 8 57 - 13 - 3.0/7235=4, ~7229=2...(7) HA LYS 96 - HB3 GLU 128 lone 7 84 - 8 - 2262/4.0=2, 8327/1.8=1 HA GLU 69 - HB3 GLU 128 lone 3 100 - 3 - HA LYS 44 - HB3 GLU 128 lone 3 94 - 3 - HA SER 35 - HB3 GLU 128 lone 2 98 - 2 - HA GLU 37 - HB3 GLU 128 lone 1 97 - 1 - HA GLU 87 - HB3 GLU 128 lone 1 70 - 1 - Peak 8331 from cnoeabs.peaks (8.08, 4.45, 59.97 ppm; 5.44 A): 2 out of 4 assignments used, quality = 0.83: * H GLU 128 + HA SER 126 OK 77 100 - 77 - 804/3.6=44, 2260=39...(7) H GLU 92 + HA SER 126 OK 29 99 - 29 - 2253/3.0=9, 1970/3.6=6...(8) H PHE 93 - HA SER 126 poor 6 61 - 10 - 2253/3.0=3, 10638/3.0=3...(4) H SER 99 - HA SER 126 lone 3 77 - 4 - 2253/3.0=1 Peak 9001 from cnoeabs.peaks (4.68, 1.81, 40.51 ppm; 4.80 A): 3 out of 4 assignments used, quality = 0.58: HA LYS 53 + HB ILE 3 OK 45 87 - 52 - 3.6/9003=20, 2.9/9464=16...(6) HA ASN 11 + HB ILE 3 OK 13 73 - 18 - 3.0/9142=5, 9004/2.1=4...(4) HA TYR 102 + HB ILE 3 OK 13 99 - 13 - 9004/2.1=5, 3.7/4688=5, ~10175=3 HA ASP 86 - HB ILE 3 lone 2 96 - 2 - Peak 9002 from cnoeabs.peaks (8.44, 1.81, 40.51 ppm; 4.67 A): 1 out of 1 assignment used, quality = 1.00: * H ILE 3 + HB ILE 3 OK 100 100 - 100 - 4.0=100 Peak 9003 from cnoeabs.peaks (8.81, 1.81, 40.51 ppm; 5.84 A): 1 out of 4 assignments used, quality = 0.66: H ILE 54 + HB ILE 3 OK 66 100 - 66 - 3.6/9001=25, 10802=17...(8) H LYS 106 - HB ILE 3 lone 5 100 - 5 - H ASN 59 - HB ILE 3 lone 2 87 - 3 - H SER 58 - HB ILE 3 lone 2 99 - 2 - Peak 9004 from cnoeabs.peaks (4.69, 1.08, 17.85 ppm; 5.62 A): 3 out of 5 assignments used, quality = 0.72: HA LYS 53 + QG2 ILE 3 OK 57 100 - 57 - 9001/2.1=24, 3.6/9029=22...(4) HA TYR 102 + QG2 ILE 3 OK 21 77 - 27 - 3.7/9019=12, 9001/2.1=7...(4) HA ASN 11 + QG2 ILE 3 OK 19 98 - 19 - 9001/2.1=7, ~9142=5...(4) HA ASP 86 - QG2 ILE 3 lone 3 100 - 3 - HA ASP 34 - QG2 ILE 3 lone 1 73 - 1 - Peak 9005 from cnoeabs.peaks (4.14, 1.08, 17.85 ppm; 4.56 A): 3 out of 11 assignments used, quality = 0.92: HA ALA 124 + QG2 ILE 3 OK 89 98 - 91 - 10692=39, 2.1/9006=37...(10) HA VAL 22 + QG2 ILE 3 OK 21 98 - 21 - 3.2/9009=5, 3.2/9007=5...(7) HA LEU 63 + QG2 ILE 3 OK 10 99 - 10 - 11253/3.0=3, 3.7/11552=2...(4) HA LEU 45 - QG2 ILE 3 lone 6 92 - 6 - 4638/4658=2, 9016/3.0=1 HA ARG 95 - QG2 ILE 3 lone 4 87 - 5 - 9016/3.0=1, ~11026=1 HA GLN 122 - QG2 ILE 3 lone 4 100 - 4 - 9016/3.0=2 HA MET 1 - QG2 ILE 3 lone 4 57 - 6 - ~10655=4, 4606/9018=1 HA GLU 89 - QG2 ILE 3 lone 3 94 - 3 - 9016/3.0=1 HA3 GLY 26 - QG2 ILE 3 lone 2 87 - 3 - 4577/9020=1 HB2 SER 72 - QG2 ILE 3 lone 1 73 - 2 - HB3 SER 72 - QG2 ILE 3 lone 1 73 - 2 - Peak 9006 from cnoeabs.peaks (1.51, 1.08, 17.85 ppm; 3.25 A): 1 out of 11 assignments used, quality = 0.72: QB ALA 124 + QG2 ILE 3 OK 72 98 - 74 - 10617=29, 9010/3.0=21...(11) HB2 LEU 6 - QG2 ILE 3 lone 4 100 - 4 - HG LEU 6 - QG2 ILE 3 lone 4 92 - 4 - 4646/4662=1 HG LEU 38 - QG2 ILE 3 lone 3 90 - 3 - 9010/3.0=1, ~10656=1 HB2 LYS 61 - QG2 ILE 3 lone 3 97 - 3 - 9659/4677=2 HD3 LYS 17 - QG2 ILE 3 lone 3 97 - 3 - HB3 LEU 14 - QG2 ILE 3 lone 2 87 - 2 - HG2 LYS 43 - QG2 ILE 3 lone 1 100 - 1 - HB3 ARG 30 - QG2 ILE 3 lone 1 99 - 1 - HG2 ARG 30 - QG2 ILE 3 lone 1 84 - 1 - HG2 LYS 20 - QG2 ILE 3 lone 1 99 - 1 - Peak 9007 from cnoeabs.peaks (0.84, 1.08, 17.85 ppm; 4.26 A): 3 out of 8 assignments used, quality = 0.76: HG13 ILE 5 + QG2 ILE 3 OK 47 99 - 48 - 1.8/10739=21...(11) QG2 ILE 5 + QG2 ILE 3 OK 45 100 - 45 - 3.2/10739=17, 3.0/9009=9...(12) QG2 VAL 22 + QG2 ILE 3 OK 18 84 - 22 - 2.1/9009=5, 3.2/9005=4...(8) QG2 ILE 15 - QG2 ILE 3 lone 9 98 - 9 - 3.2/9009=2, 10619/9006=1...(4) QD2 LEU 82 - QG2 ILE 3 lone 6 73 - 9 - 9981/4677=2, 3.1/11552=2...(4) QG2 ILE 57 - QG2 ILE 3 lone 5 100 - 5 - 4596/9017=1 QD1 LEU 14 - QG2 ILE 3 lone 2 65 - 4 - HG13 ILE 57 - QG2 ILE 3 lone 2 65 - 3 - Peak 9009 from cnoeabs.peaks (0.63, 1.08, 17.85 ppm; 4.08 A): 5 out of 7 assignments used, quality = 0.88: QD1 ILE 5 + QG2 ILE 3 OK 51 96 - 54 - 2.1/10739=18...(13) QD1 LEU 4 + QG2 ILE 3 OK 39 92 - 42 - 4.4/7305=23...(5) QD1 ILE 54 + QG2 ILE 3 OK 27 100 - 28 - 4.8/9029=9, 1033/4.4=6...(8) QG1 VAL 22 + QG2 ILE 3 OK 24 98 - 24 - 10851/9017=6, 2.1/9007=5...(7) QG1 VAL 78 + QG2 ILE 3 OK 24 70 - 34 - 3.2/10661=14, ~11377=7...(8) HG13 ILE 15 - QG2 ILE 3 lone 9 99 - 9 - 3.2/9007=2, 10620/9006=1 QD1 ILE 18 - QG2 ILE 3 lone 4 61 - 6 - 9056/9017=2, 5.0/9029=1 Peak 9010 from cnoeabs.peaks (1.51, 0.97, 13.48 ppm; 3.16 A): 1 out of 11 assignments used, quality = 0.73: QB ALA 124 + QD1 ILE 3 OK 73 100 - 73 - 10618=33, 10617/3.0=20...(10) HG LEU 38 - QD1 ILE 3 lone 4 81 - 5 - 3.0/10656=2, 4.3/9014=1 HB2 LEU 6 - QD1 ILE 3 lone 3 100 - 3 - 9006/3.0=1 HG LEU 6 - QD1 ILE 3 lone 2 84 - 3 - HG2 LYS 43 - QD1 ILE 3 lone 1 98 - 1 - HD3 LYS 17 - QD1 ILE 3 lone 1 92 - 1 - HB3 LEU 14 - QD1 ILE 3 lone 1 94 - 1 - HB2 LYS 61 - QD1 ILE 3 lone 1 92 - 1 - HB3 ARG 30 - QD1 ILE 3 lone 1 97 - 1 - HG2 ARG 30 - QD1 ILE 3 lone 1 92 - 1 - HG2 LYS 20 - QD1 ILE 3 lone 1 100 - 1 - Peak 9012 from cnoeabs.peaks (2.41, 0.97, 13.48 ppm; 4.70 A): 0 out of 9 assignments used, low quality = 0.27: HG2 MET 1 - QD1 ILE 3 OK 27 73 - 37 - 1.8/9013=23, 10877=10 HG2 GLU 91 - QD1 ILE 3 lone 6 99 - 6 - 3.0/10656=4 HG3 MET 67 - QD1 ILE 3 lone 6 65 - 8 - 5.1/9699=3, 3.3/9723=2 HG2 GLN 122 - QD1 ILE 3 lone 4 97 - 4 - 3.9/9016=2 HG2 GLN 85 - QD1 ILE 3 lone 3 98 - 3 - HG3 GLN 85 - QD1 ILE 3 lone 3 96 - 3 - HG3 GLN 62 - QD1 ILE 3 lone 1 100 - 1 - HG2 GLN 62 - QD1 ILE 3 lone 1 100 - 1 - HB2 ASP 110 - QD1 ILE 3 lone 1 100 - 1 - Peak 9013 from cnoeabs.peaks (2.60, 0.97, 13.48 ppm; 4.72 A): 2 out of 3 assignments used, quality = 0.55: HG3 MET 1 + QD1 ILE 3 OK 39 97 - 40 - 1.8/9012=21, 10878=17 HE3 LYS 77 + QD1 ILE 3 OK 26 61 - 43 - 3.0/11522=11...(7) HB2 ASP 84 - QD1 ILE 3 lone 1 97 - 1 - Peak 9014 from cnoeabs.peaks (3.92, 0.97, 13.48 ppm; 5.77 A): 4 out of 5 assignments used, quality = 0.73: HA GLU 128 + QD1 ILE 3 OK 54 92 - 59 - 2.9/9028=26...(6) HA LEU 38 + QD1 ILE 3 OK 17 97 - 18 - 2.9/10656=7, 3522=3...(4) HA LEU 64 + QD1 ILE 3 OK 16 90 - 18 - 9688/4659=5, 11025=3...(6) HA MET 121 + QD1 ILE 3 OK 16 84 - 19 - 8305/10618=10...(3) HB2 SER 35 - QD1 ILE 3 lone 3 100 - 3 - Peak 9015 from cnoeabs.peaks (4.03, 0.97, 13.48 ppm; 5.67 A): 6 out of 12 assignments used, quality = 0.89: HA LYS 123 + QD1 ILE 3 OK 44 100 - 44 - 3.6/10614=28...(5) HB2 SER 126 + QD1 ILE 3 OK 39 100 - 40 - 4.5/10657=14, 10644=11...(4) HB3 SER 126 + QD1 ILE 3 OK 39 99 - 40 - 4.5/10657=14...(4) HA GLU 87 + QD1 ILE 3 OK 23 94 - 24 - 3.0/10656=10, ~11299=6...(4) HA GLU 92 + QD1 ILE 3 OK 17 98 - 18 - 3.0/9028=7, 3.0/10656=6 HA GLU 66 + QD1 ILE 3 OK 17 100 - 17 - 3.0/10656=6, 3.6/9699=5 HA PHE 120 - QD1 ILE 3 lone 5 99 - 5 - HA GLU 119 - QD1 ILE 3 lone 5 100 - 5 - 3.0/10656=1, 3.0/10656=1 HA LYS 40 - QD1 ILE 3 lone 5 99 - 5 - HA GLU 13 - QD1 ILE 3 lone 2 100 - 2 - HA3 GLY 75 - QD1 ILE 3 lone 1 81 - 2 - HA3 GLY 101 - QD1 ILE 3 lone 1 70 - 2 - Peak 9016 from cnoeabs.peaks (4.14, 0.97, 13.48 ppm; 3.88 A): 2 out of 9 assignments used, quality = 0.87: HA ALA 124 + QD1 ILE 3 OK 85 100 - 85 - 2.1/9010=35, 10615=31...(13) HA LEU 63 + QD1 ILE 3 OK 10 92 - 11 - 11253=3, 3.0/11259=2...(5) HA VAL 22 - QD1 ILE 3 poor 9 87 - 10 - 9005/3.0=3, ~9009=1...(4) HA GLN 122 - QD1 ILE 3 lone 6 94 - 7 - 8307/10614=3, 3.9/9012=1 HA ARG 95 - QD1 ILE 3 lone 5 98 - 5 - 3.0/11026=1 HA LEU 45 - QD1 ILE 3 lone 5 99 - 5 - 4638/4659=2 HA GLU 89 - QD1 ILE 3 lone 5 100 - 5 - HA LEU 70 - QD1 ILE 3 lone 1 70 - 2 - HA3 GLY 26 - QD1 ILE 3 lone 1 65 - 1 - Peak 9017 from cnoeabs.peaks (6.58, 1.08, 17.85 ppm; 4.22 A): 1 out of 1 assignment used, quality = 0.67: QE TYR 27 + QG2 ILE 3 OK 67 99 - 68 - 4595/3.0=23, 2.2/9020=23...(11) Peak 9018 from cnoeabs.peaks (6.72, 1.08, 17.85 ppm; 3.98 A): 3 out of 3 assignments used, quality = 0.95: QD PHE 79 + QG2 ILE 3 OK 89 99 - 90 - 4662=44, 2.2/4658=36...(18) QE TYR 76 + QG2 ILE 3 OK 33 100 - 33 - ~4613=15, 10192/3.2=5...(5) QE TYR 102 + QG2 ILE 3 OK 31 100 - 31 - 2.2/9019=8, 10192/3.2=5...(10) Peak 9019 from cnoeabs.peaks (6.99, 1.08, 17.85 ppm; 5.10 A): 2 out of 2 assignments used, quality = 0.96: HZ PHE 79 + QG2 ILE 3 OK 92 100 - 92 - 2.2/4658=44, 3.8/4662=37...(10) QD TYR 102 + QG2 ILE 3 OK 49 98 - 50 - 2.2/9018=10, 4688/2.1=7...(15) Peak 9020 from cnoeabs.peaks (6.80, 1.08, 17.85 ppm; 5.03 A): 1 out of 2 assignments used, quality = 0.67: QD TYR 27 + QG2 ILE 3 OK 67 92 - 73 - 2.2/9017=45, ~4595=21...(10) QD PHE 120 - QG2 ILE 3 poor 10 96 - 10 - 4707/9007=2, 4707/9007=2 Peak 9021 from cnoeabs.peaks (7.09, 1.08, 17.85 ppm; 3.56 A): 2 out of 2 assignments used, quality = 0.88: QE PHE 79 + QG2 ILE 3 OK 82 99 - 83 - 4658=44, 2.2/4662=32...(11) HZ PHE 93 + QG2 ILE 3 OK 32 94 - 34 - 4684/3.0=17, 2.2/4677=16 Peak 9023 from cnoeabs.peaks (7.11, 1.56, 27.38 ppm; 5.44 A): 1 out of 4 assignments used, quality = 0.62: QE PHE 79 + HG12 ILE 3 OK 62 70 - 90 - 9024/1.8=39, ~4662=30...(9) QD PHE 51 - HG LEU 55 lone 3 87 - 4 - 4603/2.1=2 QE PHE 79 - HG LEU 55 lone 3 64 - 4 - ~4648=1 QD PHE 51 - HG12 ILE 3 lone 2 92 - 2 - Peak 9024 from cnoeabs.peaks (7.11, 1.22, 27.38 ppm; 5.47 A): 1 out of 2 assignments used, quality = 0.81: QE PHE 79 + HG13 ILE 3 OK 81 87 - 93 - 4659/2.1=36, 9023/1.8=36...(12) QD PHE 51 - HG13 ILE 3 lone 2 77 - 2 - 9023/1.8=1 Peak 9025 from cnoeabs.peaks (6.71, 0.97, 13.48 ppm; 5.57 A): 3 out of 3 assignments used, quality = 0.98: QD PHE 79 + QD1 ILE 3 OK 91 94 - 97 - 2.2/4659=43, 4662/3.0=40...(12) QE TYR 76 + QD1 ILE 3 OK 61 99 - 62 - ~4613=38, 10192/2.1=14...(7) QE TYR 102 + QD1 ILE 3 OK 50 99 - 50 - 10192/2.1=12...(9) Peak 9026 from cnoeabs.peaks (7.09, 0.97, 13.48 ppm; 3.56 A): 2 out of 2 assignments used, quality = 0.85: QE PHE 79 + QD1 ILE 3 OK 76 99 - 77 - 4659=35, 4658/3.0=24...(12) HZ PHE 93 + QD1 ILE 3 OK 37 94 - 40 - 4684=25, ~4677=8...(4) Peak 9027 from cnoeabs.peaks (7.00, 0.97, 13.48 ppm; 5.42 A): 2 out of 5 assignments used, quality = 0.89: HZ PHE 79 + QD1 ILE 3 OK 84 90 - 94 - 2.2/4659=43, ~4658=30...(15) QD TYR 102 + QD1 ILE 3 OK 34 70 - 48 - 9019/3.0=10, 2.2/9025=9...(12) HZ PHE 120 - QD1 ILE 3 lone 2 65 - 4 - HE22 GLN 28 - QD1 ILE 3 lone 1 87 - 2 - HD22 ASN 33 - QD1 ILE 3 lone 1 61 - 1 - Peak 9028 from cnoeabs.peaks (8.08, 0.97, 13.48 ppm; 5.99 A): 2 out of 3 assignments used, quality = 0.70: H GLU 128 + QD1 ILE 3 OK 63 96 - 66 - 2.9/9014=19...(10) H GLU 92 + QD1 ILE 3 OK 18 87 - 21 - 4.0/10656=6, 4.6/10656=4...(7) H HIS 131 - QD1 ILE 3 lone 1 70 - 2 - Peak 9029 from cnoeabs.peaks (8.79, 1.08, 17.85 ppm; 5.56 A): 0 out of 6 assignments used, low quality = 0.42: H ILE 54 - QG2 ILE 3 OK 42 73 - 58 - 3.6/9004=18, 9003/2.1=13...(9) H ILE 18 - QG2 ILE 3 lone 7 100 - 7 - 1124/10739=1 H MET 42 - QG2 ILE 3 lone 4 94 - 5 - 9412/3.0=3 H ASN 59 - QG2 ILE 3 lone 3 98 - 3 - H VAL 29 - QG2 ILE 3 lone 3 87 - 4 - 3.8/11657=2 H LYS 106 - QG2 ILE 3 lone 2 61 - 3 - 9003/2.1=1 Peak 9030 from cnoeabs.peaks (8.43, 1.08, 17.85 ppm; 5.07 A): 1 out of 1 assignment used, quality = 0.70: H ILE 3 + QG2 ILE 3 OK 70 70 - 100 - 4.0=100 Peak 9031 from cnoeabs.peaks (8.43, 0.97, 13.48 ppm; 5.68 A): 1 out of 1 assignment used, quality = 0.70: H ILE 3 + QD1 ILE 3 OK 70 70 - 100 - 4.9=100 Peak 9032 from cnoeabs.peaks (8.44, 1.22, 27.38 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.98: H ILE 3 + HG13 ILE 3 OK 98 98 - 100 - 5.0=100 Peak 9035 from cnoeabs.peaks (6.84, 1.44, 45.31 ppm; 4.98 A): 2 out of 4 assignments used, quality = 0.98: QD TYR 76 + HB3 LEU 4 OK 86 90 - 96 - 9037/3.1=33, 9039/3.1=33...(25) QD TYR 76 + HB2 LEU 4 OK 86 90 - 96 - 9037/3.1=33, 9039/3.1=33...(25) HE22 GLN 122 - HB3 LEU 4 lone 2 81 - 2 - HE22 GLN 122 - HB2 LEU 4 lone 2 81 - 2 - Peak 9036 from cnoeabs.peaks (6.85, 1.45, 28.19 ppm; 5.57 A): 1 out of 4 assignments used, quality = 0.97: QD TYR 76 + HG LEU 4 OK 97 99 - 98 - 9037/2.1=49, 9039/2.1=47...(25) QD TYR 76 - HG LEU 80 lone 5 73 - 7 - 9874/11378=2, 4618/2.1=1 HE22 GLN 122 - HG LEU 4 lone 2 57 - 3 - HE22 GLN 122 - HG LEU 80 lone 1 36 - 2 - Peak 9037 from cnoeabs.peaks (6.86, 0.64, 25.46 ppm; 3.82 A): 1 out of 1 assignment used, quality = 0.84: QD TYR 76 + QD1 LEU 4 OK 84 100 - 84 - 9039/2.1=29, 2.5/9045=21...(19) Peak 9038 from cnoeabs.peaks (6.70, 0.64, 25.46 ppm; 4.66 A): 2 out of 3 assignments used, quality = 0.79: QE TYR 76 + QD1 LEU 4 OK 72 81 - 89 - 2.2/9037=45, ~9039=27...(15) QE TYR 102 + QD1 LEU 4 OK 24 77 - 31 - ~4693=6, ~10182=5...(9) QD PHE 79 - QD1 LEU 4 poor 7 61 - 12 - 4.6/9916=2, 3.7/11380=2 Peak 9039 from cnoeabs.peaks (6.85, 0.68, 25.98 ppm; 4.29 A): 1 out of 2 assignments used, quality = 0.89: QD TYR 76 + QD2 LEU 4 OK 89 100 - 89 - 9037/2.1=41, 9036/2.1=21...(17) QD TYR 76 - QD1 LEU 55 lone 2 55 - 3 - Peak 9040 from cnoeabs.peaks (6.72, 0.68, 25.98 ppm; 5.01 A): 3 out of 6 assignments used, quality = 0.95: QE TYR 76 + QD2 LEU 4 OK 90 100 - 90 - 2.2/9039=44, ~9037=34...(13) QE TYR 102 + QD2 LEU 4 OK 40 100 - 40 - 2.2/4693=8, 10197/2.1=6...(10) QE TYR 102 + QD1 LEU 55 OK 11 55 - 19 - 2.2/4693=4, 4.4/10177=2...(8) QD PHE 79 - QD2 LEU 4 lone 5 100 - 5 - 4649/2.1=2 QD PHE 79 - QD1 LEU 55 lone 3 55 - 6 - 4648/2.1=2 QE TYR 76 - QD1 LEU 55 lone 3 55 - 5 - Peak 9042 from cnoeabs.peaks (5.15, 1.44, 45.31 ppm; 5.11 A): 2 out of 2 assignments used, quality = 0.80: * HA VAL 78 + HB3 LEU 4 OK 55 77 - 71 - 9041/3.8=25...(11) HA VAL 78 + HB2 LEU 4 OK 55 77 - 71 - 9041/3.8=25...(11) Peak 9043 from cnoeabs.peaks (4.84, 1.44, 45.31 ppm; 5.50 A): 6 out of 6 assignments used, quality = 1.00: HA ILE 5 + HB2 LEU 4 OK 89 99 - 89 - ~9=29, ~7313=20...(23) HA ILE 5 + HB3 LEU 4 OK 89 99 - 89 - ~9=29, ~7313=20...(23) HA ILE 54 + HB2 LEU 4 OK 85 94 - 91 - ~9485=26, ~9486=24...(18) HA ILE 54 + HB3 LEU 4 OK 85 94 - 91 - ~9485=26, ~9486=24...(18) HA ILE 3 + HB3 LEU 4 OK 56 90 - 63 - 2/3.8=34, ~10662=20...(7) HA ILE 3 + HB2 LEU 4 OK 56 90 - 63 - 2/3.8=34, ~10662=20...(7) Peak 9045 from cnoeabs.peaks (2.85, 0.64, 25.46 ppm; 4.48 A): 2 out of 5 assignments used, quality = 0.87: HB3 TYR 76 + QD1 LEU 4 OK 85 97 - 88 - 2.5/9037=41, ~9039=24...(15) HE2 LYS 17 + QD1 LEU 4 OK 15 97 - 15 - 2.9/10735=4, ~10919=3...(7) HB2 ASP 36 - QD1 LEU 4 lone 2 84 - 2 - HB2 ASN 88 - QD1 LEU 4 lone 1 99 - 1 - HB3 ASN 59 - QD1 LEU 4 lone 1 77 - 1 - Peak 9046 from cnoeabs.peaks (1.07, 5.46, 53.34 ppm; 6.02 A): 1 out of 3 assignments used, quality = 0.96: QG2 ILE 3 + HA LEU 4 OK 96 100 - 97 - 10662=50, 7305/2.9=48...(14) HG2 LYS 53 - HA LEU 4 OK 35 87 - 40 - 5.0/9485=37, 4/2.9=3 HG2 LYS 2 - HA LEU 4 lone 3 97 - 3 - Peak 9047 from cnoeabs.peaks (1.68, 5.46, 53.34 ppm; 5.00 A): 3 out of 18 assignments used, quality = 0.93: HB ILE 54 + HA LEU 4 OK 91 99 - 92 - 9486=45, 3.9/9485=34...(14) HD2 LYS 17 + HA LEU 4 OK 12 99 - 12 - 10919/3.8=5, 10735/3.8=3...(4) HB ILE 56 + HA LEU 4 OK 11 87 - 13 - 10735/3.8=3, 10734/3.8=3...(4) HG12 ILE 71 - HA LEU 4 poor 7 70 - 10 - ~9777=3, 10735/3.8=3...(4) HD3 LYS 20 - HA LEU 4 lone 6 92 - 7 - 10735/3.8=2, 10734/3.8=2 HD2 LYS 20 - HA LEU 4 lone 6 90 - 7 - 10735/3.8=2, 10734/3.8=2 HD2 LYS 16 - HA LEU 4 lone 4 94 - 4 - 10735/3.8=2, 10734/3.8=1 HD2 LYS 96 - HA LEU 4 lone 4 99 - 4 - HD3 LYS 96 - HA LEU 4 lone 4 98 - 4 - HD3 LYS 16 - HA LEU 4 lone 4 87 - 4 - 10735/3.8=2, 10734/3.8=1 HD3 LYS 73 - HA LEU 4 lone 3 97 - 3 - HD2 LYS 73 - HA LEU 4 lone 3 96 - 3 - HG3 ARG 95 - HA LEU 4 lone 3 100 - 3 - HD2 LYS 43 - HA LEU 4 lone 2 100 - 2 - HD3 LYS 43 - HA LEU 4 lone 2 97 - 2 - HD3 LYS 40 - HA LEU 4 lone 2 99 - 2 - HD2 LYS 40 - HA LEU 4 lone 2 99 - 2 - HD3 LYS 115 - HA LEU 4 lone 1 70 - 1 - Peak 9048 from cnoeabs.peaks (7.12, 0.84, 17.12 ppm; 4.62 A): 2 out of 6 assignments used, quality = 0.50: QE PHE 120 + QG2 ILE 5 OK 41 61 - 66 - 11357/3.0=15...(16) QE PHE 120 + QG2 ILE 15 OK 16 54 - 30 - 2.2/9049=8, 4.4/10562=4...(9) QE PHE 93 - QG2 ILE 5 lone 4 65 - 6 - 11357/3.0=2, 4677/9007=2 QD PHE 51 - QG2 ILE 5 lone 4 98 - 4 - 11357/3.0=1 QD PHE 51 - QG2 ILE 15 lone 3 91 - 3 - 4603/3.0=1 QE PHE 93 - QG2 ILE 15 lone 1 58 - 2 - Peak 9049 from cnoeabs.peaks (6.78, 0.84, 17.12 ppm; 3.81 A): 4 out of 4 assignments used, quality = 0.90: QD TYR 27 + QG2 ILE 5 OK 62 90 - 69 - ~9052=11, ~9229=10...(19) QD PHE 120 + QG2 ILE 5 OK 55 84 - 66 - 2.2/9048=15, 4707=10...(20) QD PHE 120 + QG2 ILE 15 OK 29 75 - 38 - 2.2/9048=6, 4707=6...(13) QD TYR 27 + QG2 ILE 15 OK 18 81 - 22 - 2.2/4596=3, 2.5/9180=3...(11) Peak 9050 from cnoeabs.peaks (6.71, 0.84, 17.12 ppm; 5.05 A): 5 out of 6 assignments used, quality = 0.89: QD PHE 79 + QG2 ILE 5 OK 74 81 - 92 - 9055/3.0=17, 2.4/9905=17...(27) QE TYR 102 + QG2 ILE 5 OK 32 92 - 34 - 9055/3.0=7, 9053/3.2=6...(7) QE TYR 76 + QG2 ILE 15 OK 17 86 - 20 - ~4610=6, ~4618=5...(6) QD PHE 79 + QG2 ILE 15 OK 17 72 - 23 - 2.4/9905=3, 4647=3...(11) QE TYR 76 + QG2 ILE 5 OK 12 94 - 13 - 9055/3.0=2, 9053/3.2=2...(5) QE TYR 102 - QG2 ILE 15 lone 3 84 - 4 - Peak 9051 from cnoeabs.peaks (6.72, 1.81, 27.65 ppm; 5.72 A): 2 out of 3 assignments used, quality = 0.97: QD PHE 79 + HG12 ILE 5 OK 94 100 - 95 - 9053/1.8=30, ~10740=24...(20) QE TYR 102 + HG12 ILE 5 OK 40 100 - 41 - 9053/1.8=11, ~4694=8...(7) QE TYR 76 - HG12 ILE 5 OK 12 100 - 12 - 9053/1.8=3, 9018/10739=3...(4) Peak 9052 from cnoeabs.peaks (6.59, 1.81, 27.65 ppm; 5.40 A): 1 out of 1 assignment used, quality = 0.82: QE TYR 27 + HG12 ILE 5 OK 82 98 - 83 - 9229/2.1=30, 9222=19...(15) Peak 9053 from cnoeabs.peaks (6.72, 0.85, 27.65 ppm; 5.01 A): 3 out of 6 assignments used, quality = 0.95: QD PHE 79 + HG13 ILE 5 OK 91 100 - 92 - 9051/1.8=20, ~10740=19...(23) QE TYR 102 + HG13 ILE 5 OK 34 100 - 34 - 9051/1.8=9, ~4694=7...(7) QE TYR 76 + HG13 ILE 5 OK 10 100 - 10 - 9051/1.8=3, 9055/2.1=2...(4) QD PHE 79 - HG13 ILE 57 lone 5 67 - 7 - 4647/3.2=1 QE TYR 76 - HG13 ILE 57 lone 3 68 - 5 - QE TYR 102 - HG13 ILE 57 lone 2 68 - 3 - Peak 9054 from cnoeabs.peaks (6.77, 0.62, 13.41 ppm; 3.90 A): 5 out of 12 assignments used, quality = 0.82: QD TYR 27 + QD1 ILE 5 OK 51 73 - 69 - 2.2/9056=20, ~9052=14...(17) QD PHE 120 + QD1 ILE 5 OK 43 65 - 66 - 2.2/11357=12...(17) QD PHE 120 + QD1 ILE 18 OK 20 44 - 46 - 2.4/11352=7, 4709=6...(15) QD TYR 27 + QD1 ILE 54 OK 12 50 - 24 - 2.2/9056=7, 4588=4...(6) QD TYR 27 + QD1 ILE 18 OK 10 50 - 20 - 2.2/9229=6, 4587/2.1=3...(7) QD PHE 120 - QD1 ILE 54 poor 5 44 - 10 - 2.4/11352=2, 2.2/11357=1...(4) HD22 ASN 59 - QD1 ILE 5 lone 2 73 - 3 - HD22 ASN 59 - QD1 ILE 54 lone 1 50 - 3 - 4.5/9495=2 HE22 GLN 100 - QD1 ILE 5 lone 1 73 - 2 - HE22 GLN 100 - QD1 ILE 54 lone 1 50 - 2 - HD22 ASN 59 - QD1 ILE 18 lone 1 50 - 1 - HE22 GLN 100 - QD1 ILE 18 lone 0 50 - 1 - Peak 9055 from cnoeabs.peaks (6.71, 0.62, 13.41 ppm; 4.41 A): 4 out of 9 assignments used, quality = 0.86: QD PHE 79 + QD1 ILE 5 OK 70 81 - 87 - 2.4/10740=24...(23) QE TYR 102 + QD1 ILE 5 OK 30 92 - 33 - 2.2/4694=8, 9053/2.1=6...(9) QD PHE 79 + QD1 ILE 54 OK 19 56 - 34 - 2.4/10740=6, 4649=5...(11) QE TYR 102 + QD1 ILE 54 OK 17 66 - 26 - 4626/2.1=8, 2.2/4694=6...(7) QE TYR 76 - QD1 ILE 5 poor 10 94 - 10 - 9050/3.0=2, 9053/2.1=2 QD PHE 79 - QD1 ILE 18 poor 8 56 - 14 - 4649=2, 2.4/10740=2...(8) QE TYR 76 - QD1 ILE 54 lone 5 69 - 7 - 4626/2.1=3, 4735/3.1=1 QE TYR 102 - QD1 ILE 18 lone 2 66 - 4 - QE TYR 76 - QD1 ILE 18 lone 2 69 - 2 - Peak 9056 from cnoeabs.peaks (6.58, 0.62, 13.41 ppm; 4.01 A): 3 out of 3 assignments used, quality = 0.69: QE TYR 27 + QD1 ILE 5 OK 55 90 - 61 - 9229=14, 2.2/9054=12...(14) QE TYR 27 + QD1 ILE 54 OK 19 64 - 29 - 4598=7, 9481/4.8=5...(7) QE TYR 27 + QD1 ILE 18 OK 16 64 - 26 - 9229=7, ~4587=3...(10) Peak 9058 from cnoeabs.peaks (5.64, 1.65, 39.53 ppm; 4.60 A): 1 out of 1 assignment used, quality = 0.81: HA LEU 55 + HB ILE 5 OK 81 100 - 81 - 9501=39, 9057/3.9=26...(10) Peak 9059 from cnoeabs.peaks (5.65, 0.84, 17.12 ppm; 5.44 A): 1 out of 2 assignments used, quality = 0.82: HA LEU 55 + QG2 ILE 5 OK 82 99 - 83 - 9058/2.1=44, 9057/4.0=34...(11) HA LEU 55 - QG2 ILE 15 lone 5 92 - 6 - Peak 9062 from cnoeabs.peaks (5.64, 0.62, 13.41 ppm; 6.20 A): 3 out of 3 assignments used, quality = 0.93: HA LEU 55 + QD1 ILE 5 OK 81 99 - 82 - 9058/3.2=46, 9057/5.0=36...(7) HA LEU 55 + QD1 ILE 54 OK 57 75 - 76 - 9491/3.1=35, ~7565=35...(8) HA LEU 55 + QD1 ILE 18 OK 11 75 - 15 - 4417/2.1=2, ~1357=2...(8) Peak 9063 from cnoeabs.peaks (3.97, 0.62, 13.41 ppm; 4.19 A): 5 out of 12 assignments used, quality = 0.64: HA LEU 14 + QD1 ILE 5 OK 34 87 - 39 - 4.0/11652=10...(13) HA LEU 14 + QD1 ILE 18 OK 22 62 - 36 - 4.0/11652=9, 3.7/11651=9...(9) HA LEU 14 + QD1 ILE 54 OK 11 62 - 18 - 3.7/11651=3, 4.0/11652=3...(7) HA LYS 17 + QD1 ILE 5 OK 11 61 - 18 - 3.6/1128=7, ~11476=3...(7) HA LYS 17 + QD1 ILE 18 OK 10 41 - 25 - 3.6/1128=18, ~1116=3...(4) HA GLU 21 - QD1 ILE 18 poor 8 66 - 11 - 9189/4.2=11 HA GLU 111 - QD1 ILE 18 lone 5 53 - 10 - 8240/11023=3...(4) HA GLU 21 - QD1 ILE 5 lone 5 92 - 5 - ~9204=3, 9189/2906=1 HA GLU 111 - QD1 ILE 5 lone 3 77 - 3 - HA LYS 17 - QD1 ILE 54 lone 1 41 - 2 - HA GLU 111 - QD1 ILE 54 lone 1 53 - 1 - HA GLU 21 - QD1 ILE 54 lone 1 66 - 1 - Peak 9064 from cnoeabs.peaks (4.13, 0.62, 13.41 ppm; 5.63 A): 4 out of 33 assignments used, quality = 0.74: HA VAL 22 + QD1 ILE 18 OK 50 78 - 64 - 11119/2.9=15...(11) HA ALA 124 + QD1 ILE 5 OK 30 84 - 35 - 2.1/10620=20, ~10619=10...(5) HA VAL 22 + QD1 ILE 5 OK 15 100 - 15 - ~10871=3, 11116/9054=2...(5) HA3 GLY 26 + QD1 ILE 5 OK 12 99 - 12 - ~9177=10 HB2 SER 72 - QD1 ILE 5 lone 9 94 - 10 - 3.0/9808=6 HB3 SER 72 - QD1 ILE 5 lone 9 94 - 10 - 3.0/9808=6 HA ALA 124 - QD1 ILE 54 poor 7 59 - 11 - 2.1/10620=5...(3) HA LEU 63 - QD1 ILE 18 lone 6 77 - 8 - ~1414=1, 4714/2.9=1...(4) HB3 SER 72 - QD1 ILE 54 lone 5 69 - 8 - 3.0/9808=6 HB2 SER 72 - QD1 ILE 54 lone 5 69 - 8 - 3.0/9808=6 HA VAL 22 - QD1 ILE 54 lone 5 78 - 6 - 4577/4588=1 HA LEU 63 - QD1 ILE 5 lone 4 100 - 4 - HA GLN 122 - QD1 ILE 5 lone 4 99 - 4 - HA LEU 63 - QD1 ILE 54 lone 4 77 - 5 - 4715/3.1=1, ~1414=1 HA LEU 45 - QD1 ILE 5 lone 3 70 - 4 - HA ALA 124 - QD1 ILE 18 lone 3 59 - 4 - 2.1/10620=2 HA GLN 122 - QD1 ILE 18 lone 3 76 - 3 - ~775=2 HA GLN 122 - QD1 ILE 54 lone 2 76 - 3 - HB3 SER 72 - QD1 ILE 18 lone 2 69 - 3 - HB2 SER 72 - QD1 ILE 18 lone 2 69 - 3 - HA MET 1 - QD1 ILE 5 lone 2 84 - 2 - HA GLU 89 - QD1 ILE 5 lone 2 73 - 3 - HA LEU 45 - QD1 ILE 54 lone 2 47 - 4 - HA ARG 95 - QD1 ILE 5 lone 2 61 - 3 - HA ARG 95 - QD1 ILE 18 lone 2 41 - 4 - 5.3/9192=1, 5.3/9192=1 HA3 GLY 26 - QD1 ILE 54 lone 1 75 - 2 - HA3 GLY 26 - QD1 ILE 18 lone 1 75 - 2 - HA MET 1 - QD1 ILE 54 lone 1 59 - 2 - HA LEU 45 - QD1 ILE 18 lone 1 47 - 2 - HA GLU 89 - QD1 ILE 54 lone 1 50 - 2 - HA MET 1 - QD1 ILE 18 lone 1 59 - 2 - HA ARG 95 - QD1 ILE 54 lone 1 41 - 2 - HA GLU 89 - QD1 ILE 18 lone 1 50 - 1 - Peak 9067 from cnoeabs.peaks (5.54, 0.71, 25.51 ppm; 4.57 A): 1 out of 1 assignment used, quality = 0.65: HA LEU 80 + QD1 LEU 6 OK 65 99 - 66 - 10671/3.1=25...(7) Peak 9068 from cnoeabs.peaks (7.02, 0.71, 25.51 ppm; 5.64 A): 0 out of 4 assignments used, low quality = 0.33: HZ PHE 120 - QD1 LEU 6 OK 33 100 - 33 - 2.2/9069=27, 3.8/4708=2...(4) HE22 GLN 28 - QD1 LEU 6 lone 2 97 - 2 - HD22 ASN 88 - QD1 LEU 6 lone 2 96 - 2 - HD22 ASN 33 - QD1 LEU 6 lone 2 100 - 2 - Peak 9069 from cnoeabs.peaks (7.12, 0.71, 25.51 ppm; 4.83 A): 0 out of 3 assignments used, low quality = 0.39: QE PHE 120 - QD1 LEU 6 OK 29 81 - 36 - 2.2/9068=25, 2.2/4708=2...(8) QE PHE 93 - QD1 LEU 6 OK 15 84 - 17 - 4742/11565=5, 4675/3.1=5...(4) QD PHE 51 - QD1 LEU 6 lone 5 100 - 5 - 4603/2.1=3 Peak 9072 from cnoeabs.peaks (9.18, 5.35, 53.00 ppm; 4.54 A): 1 out of 1 assignment used, quality = 0.76: * H ILE 56 + HA LEU 6 OK 76 100 - 76 - 9535=44, 9530/3.6=28...(5) Peak 9073 from cnoeabs.peaks (0.86, 1.89, 40.15 ppm; 3.98 A): 4 out of 9 assignments used, quality = 0.94: QG1 VAL 32 + HB ILE 7 OK 70 98 - 71 - 10929=19, 2.1/10928=18...(13) QG2 THR 9 + HB ILE 7 OK 58 100 - 59 - 9115=20, ~9082=14...(9) QG2 VAL 117 + HB ILE 7 OK 39 99 - 40 - ~9077=9, 11583/2.1=8...(7) HG13 ILE 5 + HB ILE 7 OK 25 77 - 32 - ~11582=6, ~10941=5...(13) HG13 ILE 57 - HB ILE 7 OK 24 100 - 24 - 4.2/9080=8, ~9567=3...(8) QG2 VAL 107 - HB ILE 7 OK 13 97 - 14 - 11584/3.2=3, 11583/2.1=3...(4) QD1 LEU 14 - HB ILE 7 lone 6 100 - 6 - 11583/2.1=2, 11584/3.2=1 QG2 ILE 15 - HB ILE 7 lone 6 81 - 7 - QG2 VAL 22 - HB ILE 7 lone 5 97 - 4 - 11118/2.1=1 Peak 9074 from cnoeabs.peaks (1.35, 0.77, 14.16 ppm; 3.76 A): 2 out of 5 assignments used, quality = 0.91: HB3 LEU 81 + QD1 ILE 7 OK 72 98 - 73 - 11624/2.1=15...(17) HG LEU 81 + QD1 ILE 7 OK 67 99 - 67 - 4.7/9087=12...(15) HG3 LYS 65 - QD1 ILE 7 lone 4 98 - 4 - 10805=1 HG2 LYS 94 - QD1 ILE 7 lone 1 61 - 2 - HG2 LYS 77 - QD1 ILE 7 lone 1 99 - 1 - Peak 9075 from cnoeabs.peaks (1.79, 0.77, 14.16 ppm; 4.51 A): 2 out of 10 assignments used, quality = 0.68: HB VAL 32 + QD1 ILE 7 OK 55 81 - 69 - 2.1/11584=18, ~11618=11...(14) HG12 ILE 5 + QD1 ILE 7 OK 28 70 - 41 - 2.1/11581=11, ~10941=8...(11) HB3 GLN 28 - QD1 ILE 7 lone 6 97 - 6 - 1.8/9076=2, 11484/3.3=2 HB2 LEU 64 - QD1 ILE 7 lone 6 100 - 6 - 10520/11584=1 HB ILE 3 - QD1 ILE 7 lone 5 73 - 7 - 4.4/9087=4 HG2 ARG 105 - QD1 ILE 7 lone 4 77 - 5 - 10252/9084=3 HB2 LYS 19 - QD1 ILE 7 lone 3 100 - 3 - HB2 LEU 90 - QD1 ILE 7 lone 2 81 - 3 - HB ILE 97 - QD1 ILE 7 lone 2 65 - 3 - HB2 ARG 118 - QD1 ILE 7 lone 2 94 - 2 - Peak 9076 from cnoeabs.peaks (2.06, 0.77, 14.16 ppm; 5.11 A): 1 out of 19 assignments used, quality = 0.56: HB VAL 117 + QD1 ILE 7 OK 56 94 - 60 - 3.0/9077=29, ~11673=11...(10) HB3 GLU 87 - QD1 ILE 7 poor 9 73 - 12 - ~11410=4, 11409/2.1=2...(4) HB3 MET 67 - QD1 ILE 7 lone 8 97 - 8 - 9708=3 HB2 GLN 28 - QD1 ILE 7 lone 7 98 - 7 - 1.8/9075=3, ~11484=1, ~11076=1 HB3 GLN 85 - QD1 ILE 7 lone 7 73 - 9 - ~10030=2, 4.0/7332=2...(4) HB3 PHE 79 - QD1 ILE 7 poor 6 61 - 10 - 4702/9083=3, 4.5/1533=2...(4) HB2 GLU 13 - QD1 ILE 7 lone 6 96 - 6 - 10909/3.3=2, 4.4/1094=1 HB2 GLU 66 - QD1 ILE 7 lone 4 73 - 6 - 3.0/11065=2 HB2 LYS 94 - QD1 ILE 7 lone 3 81 - 4 - HB2 GLU 92 - QD1 ILE 7 lone 3 100 - 3 - HB3 GLN 100 - QD1 ILE 7 lone 3 96 - 3 - HB3 GLU 98 - QD1 ILE 7 lone 2 100 - 2 - HB3 GLU 91 - QD1 ILE 7 lone 2 84 - 2 - HB2 GLU 89 - QD1 ILE 7 lone 2 73 - 2 - HB3 GLU 89 - QD1 ILE 7 lone 2 73 - 2 - HB2 GLU 47 - QD1 ILE 7 lone 2 100 - 2 - HG3 GLU 52 - QD1 ILE 7 lone 1 87 - 1 - HB3 GLU 48 - QD1 ILE 7 lone 1 73 - 1 - HB2 GLU 48 - QD1 ILE 7 lone 1 73 - 1 - Peak 9077 from cnoeabs.peaks (3.27, 0.77, 14.16 ppm; 5.66 A): 1 out of 1 assignment used, quality = 0.57: HA VAL 117 + QD1 ILE 7 OK 57 87 - 65 - 3.0/9076=18, 11195=13...(11) Peak 9079 from cnoeabs.peaks (4.93, 5.18, 58.22 ppm; 5.60 A): 2 out of 3 assignments used, quality = 0.46: HA ILE 57 + HA ILE 7 OK 31 70 - 45 - 9078/3.0=17...(7) HA LEU 82 + HA ILE 7 OK 22 65 - 34 - 10673/3.6=17...(6) HA ARG 105 - HA ILE 7 lone 7 81 - 8 - 9078/3.0=3, 9094/3.6=2 Peak 9080 from cnoeabs.peaks (4.91, 1.89, 40.15 ppm; 5.16 A): 3 out of 3 assignments used, quality = 0.71: HA ILE 57 + HB ILE 7 OK 46 99 - 47 - 9078/3.9=17, 3.6/9594=11...(8) HA LEU 82 + HB ILE 7 OK 38 100 - 39 - 10673/4.5=23...(5) HA ARG 105 + HB ILE 7 OK 13 97 - 13 - 3.6/9089=6, 9094/4.5=3 Peak 9081 from cnoeabs.peaks (4.89, 0.74, 16.61 ppm; 5.46 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9082 from cnoeabs.peaks (4.32, 0.74, 16.61 ppm; 5.05 A): 1 out of 4 assignments used, quality = 0.62: HB THR 9 + QG2 ILE 7 OK 62 99 - 63 - 9108=22, ~9115=17...(10) HA GLN 85 - QG2 ILE 7 lone 5 65 - 8 - 10030/3.2=2, ~7332=1, ~9076=1 HA LYS 49 - QG2 ILE 7 lone 2 100 - 2 - HA GLN 100 - QG2 ILE 7 lone 2 98 - 2 - Peak 9083 from cnoeabs.peaks (6.79, 0.77, 14.16 ppm; 5.34 A): 2 out of 2 assignments used, quality = 0.56: QD PHE 120 + QD1 ILE 7 OK 48 100 - 48 - 2.2/9084=27...(7) QD TYR 27 + QD1 ILE 7 OK 15 99 - 16 - 10528/9077=3, ~4593=2...(6) Peak 9084 from cnoeabs.peaks (7.12, 0.77, 14.16 ppm; 4.94 A): 2 out of 3 assignments used, quality = 0.49: QE PHE 120 + QD1 ILE 7 OK 40 81 - 50 - 2.2/9083=25, ~4713=9...(12) QD PHE 51 + QD1 ILE 7 OK 15 100 - 15 - 4603/3.3=7, 4603=4, 2.4/10094=1 QE PHE 93 - QD1 ILE 7 lone 8 84 - 10 - 11385/9074=2, 9945/9074=2 Peak 9085 from cnoeabs.peaks (9.06, 5.18, 58.22 ppm; 4.91 A): 1 out of 2 assignments used, quality = 0.90: H LEU 81 + HA ILE 7 OK 90 100 - 90 - 9951=36, 11384/3.6=32...(12) H LEU 4 - HA ILE 7 poor 10 70 - 14 - 9087/4.1=5, 10746/3.6=3...(5) Peak 9087 from cnoeabs.peaks (9.07, 0.77, 14.16 ppm; 4.60 A): 2 out of 2 assignments used, quality = 0.66: H LEU 81 + QD1 ILE 7 OK 61 99 - 62 - 9951/4.1=22, 3.8/9074=16...(12) H LEU 4 + QD1 ILE 7 OK 13 84 - 15 - 9041/2522=3, 9085/4.1=2...(7) Peak 9088 from cnoeabs.peaks (8.80, 0.74, 16.61 ppm; 5.78 A): 5 out of 5 assignments used, quality = 0.67: H SER 58 + QG2 ILE 7 OK 32 96 - 33 - 9594/2.1=17, 9589/9100=8...(4) H LYS 106 + QG2 ILE 7 OK 20 99 - 20 - 9089/2.1=8, 10280/3.3=4...(4) H ILE 18 + QG2 ILE 7 OK 16 70 - 23 - 5.0/11582=11, 4.6/11076=8 H ASN 59 + QG2 ILE 7 OK 16 96 - 17 - 9613=5, 9089/2.1=4...(5) H ILE 54 + QG2 ILE 7 OK 14 100 - 14 - 9089/2.1=3, 1352/3.2=3...(5) Peak 9089 from cnoeabs.peaks (8.81, 1.89, 40.15 ppm; 6.20 A): 5 out of 5 assignments used, quality = 0.73: H SER 58 + HB ILE 7 OK 46 100 - 46 - 3.6/9080=19, 9594=15...(4) H LYS 106 + HB ILE 7 OK 28 99 - 28 - 9088/2.1=8, 3.6/9080=6...(6) H ASN 59 + HB ILE 7 OK 14 70 - 20 - 4.6/9594=12, 9088/2.1=6 H ILE 54 + HB ILE 7 OK 12 97 - 12 - 9088/2.1=5, 1352/3.0=3 H PHE 120 + HB ILE 7 OK 10 77 - 14 - 8.2/4713=7, 6.5/4731=3 Peak 9091 from cnoeabs.peaks (8.81, 5.90, 51.10 ppm; 4.55 A): 2 out of 5 assignments used, quality = 0.79: H SER 58 + HA ASN 8 OK 66 100 - 66 - 9589=49, 4.0/9593=17...(4) H ASN 59 + HA ASN 8 OK 38 84 - 45 - 4.6/9589=24, 4.5/9593=16...(4) H LYS 106 - HA ASN 8 lone 3 100 - 3 - 9127/3.6=1 H ILE 54 - HA ASN 8 lone 3 100 - 3 - 4.0/9100=1 H PHE 120 - HA ASN 8 lone 1 61 - 2 - 9127/3.6=1 Peak 9092 from cnoeabs.peaks (8.44, 2.27, 42.58 ppm; 6.20 A): 2 out of 5 assignments used, quality = 0.89: H GLN 83 + HB3 ASN 8 OK 84 100 - 84 - 10003/1.8=44...(8) H ASN 10 + HB3 ASN 8 OK 28 100 - 28 - 4.6/39=21, 9090/4.0=6 H VAL 32 - HB3 ASN 8 lone 9 100 - 9 - 9090/4.0=3, 3.0/9292=1...(4) H GLN 62 - HB3 ASN 8 lone 7 99 - 7 - 1858/4.6=2, 9090/4.0=1 H ILE 3 - HB3 ASN 8 lone 4 98 - 4 - 9090/4.0=2 Peak 9095 from cnoeabs.peaks (4.90, 2.27, 42.58 ppm; 5.23 A): 2 out of 3 assignments used, quality = 0.74: HA LEU 82 + HB3 ASN 8 OK 69 94 - 73 - 10751/1.8=33...(6) HA ILE 57 + HB3 ASN 8 OK 17 92 - 19 - 9094/4.0=10, 10751/1.8=7 HA ARG 105 - HB3 ASN 8 lone 6 84 - 8 - 10751/1.8=3, 9094/4.0=3 Peak 9099 from cnoeabs.peaks (0.82, 5.90, 51.10 ppm; 4.17 A): 4 out of 7 assignments used, quality = 0.94: QD1 LEU 64 + HA ASN 8 OK 69 99 - 69 - 11688=29, 10448/3.0=13...(12) QD2 LEU 82 + HA ASN 8 OK 67 97 - 69 - 9970/3.0=28, 9971/3.0=28...(9) QD1 LEU 114 + HA ASN 8 OK 28 84 - 34 - 10448/3.0=11, 11688=9...(7) QG2 ILE 71 + HA ASN 8 OK 16 100 - 16 - 9797/4.5=8, 9107/4.5=4...(4) QD1 LEU 74 - HA ASN 8 lone 7 100 - 7 - 9106/4.5=1, 9107/4.5=1 QD2 LEU 74 - HA ASN 8 lone 6 100 - 6 - 9106/4.5=1, 9107/4.5=1 QG1 VAL 29 - HA ASN 8 lone 1 65 - 1 - Peak 9100 from cnoeabs.peaks (0.74, 5.90, 51.10 ppm; 4.99 A): 2 out of 11 assignments used, quality = 0.65: QG2 ILE 7 + HA ASN 8 OK 59 96 - 62 - 32/3.0=31, ~30=23...(7) QD2 LEU 6 + HA ASN 8 OK 15 100 - 15 - 32/3.0=5, ~11561=4, ~33=3 QD1 LEU 63 - HA ASN 8 lone 8 99 - 8 - 11265/9589=2...(3) QG2 ILE 54 - HA ASN 8 lone 5 92 - 5 - HG13 ILE 18 - HA ASN 8 lone 4 97 - 4 - 9117/9123=2 QD2 LEU 55 - HA ASN 8 lone 4 100 - 4 - 32/3.0=1, 9117/9123=1 QG2 VAL 78 - HA ASN 8 lone 4 90 - 4 - 32/3.0=2 QD2 LEU 45 - HA ASN 8 lone 3 90 - 3 - 9437/3.0=1 QG2 ILE 18 - HA ASN 8 lone 2 65 - 3 - 9117/9123=1 QG1 VAL 117 - HA ASN 8 lone 2 77 - 2 - QD1 LEU 45 - HA ASN 8 lone 2 65 - 3 - Peak 9101 from cnoeabs.peaks (0.79, 2.89, 42.58 ppm; 3.67 A): 3 out of 14 assignments used, quality = 0.80: QD2 LEU 64 + HB2 ASN 8 OK 51 96 - 53 - 11393/1.8=18...(9) QD1 LEU 82 + HB2 ASN 8 OK 49 84 - 58 - 2.1/9971=28, ~9970=19...(7) QD1 LEU 114 + HB2 ASN 8 OK 19 81 - 24 - 10448=10, 9104/1.8=8...(5) QD1 LEU 81 - HB2 ASN 8 lone 4 100 - 4 - 11400/10751=2 QG1 VAL 29 - HB2 ASN 8 lone 1 94 - 1 - QD2 LEU 80 - HB2 ASN 8 lone 1 77 - 1 - QD1 LEU 82 - HE3 LYS 2 lone 1 57 - 1 - QD1 LEU 80 - HB2 ASN 8 lone 1 73 - 1 - QD1 LEU 81 - HE3 LYS 2 lone 1 75 - 1 - QD2 LEU 64 - HE3 LYS 2 lone 0 68 - 1 - QD2 LEU 80 - HE3 LYS 2 lone 0 51 - 1 - QD1 LEU 114 - HE3 LYS 2 lone 0 54 - 1 - QD1 LEU 80 - HE3 LYS 2 lone 0 48 - 1 - QG1 VAL 29 - HE3 LYS 2 lone 0 66 - 0 - Peak 9103 from cnoeabs.peaks (1.62, 2.27, 42.58 ppm; 6.09 A): 3 out of 11 assignments used, quality = 0.98: HB2 LEU 82 + HB3 ASN 8 OK 89 99 - 90 - ~9971=35, 3.0/9095=32...(8) HB3 LEU 64 + HB3 ASN 8 OK 67 84 - 80 - 3.1/11393=32...(8) HG LEU 82 + HB3 ASN 8 OK 56 65 - 85 - ~9971=39, 2.1/9970=31...(7) HG LEU 63 - HB3 ASN 8 lone 5 99 - 6 - ~9100=2 HB ILE 116 - HB3 ASN 8 lone 3 81 - 4 - 10484/11393=1 HD3 LYS 77 - HB3 ASN 8 lone 2 97 - 2 - HD2 LYS 77 - HB3 ASN 8 lone 2 96 - 2 - HG3 LYS 40 - HB3 ASN 8 lone 2 99 - 2 - HB3 LEU 127 - HB3 ASN 8 lone 2 100 - 2 - HG2 LYS 16 - HB3 ASN 8 lone 2 90 - 2 - HG2 LYS 73 - HB3 ASN 8 lone 1 61 - 2 - Peak 9104 from cnoeabs.peaks (0.80, 2.27, 42.58 ppm; 3.52 A): 2 out of 7 assignments used, quality = 0.66: QD1 LEU 64 + HB3 ASN 8 OK 52 90 - 58 - 2.1/11393=17...(11) QD1 LEU 114 + HB3 ASN 8 OK 30 100 - 30 - 10448/1.8=13, 10449=9...(5) QG2 ILE 71 - HB3 ASN 8 poor 8 81 - 10 - 9797/3.5=5, 9107/3.5=4 QD1 LEU 74 - HB3 ASN 8 lone 3 81 - 4 - 9106/3.5=1, 9107/3.5=1 QD2 LEU 74 - HB3 ASN 8 lone 3 73 - 4 - 9106/3.5=1, 9107/3.5=1 QD1 LEU 81 - HB3 ASN 8 lone 2 81 - 3 - QG1 VAL 29 - HB3 ASN 8 lone 1 100 - 1 - Peak 9108 from cnoeabs.peaks (0.74, 4.32, 67.77 ppm; 3.80 A): 3 out of 9 assignments used, quality = 0.63: QG2 ILE 7 + HB THR 9 OK 48 100 - 48 - 9082=18, 11583/2.1=11...(8) HG13 ILE 18 + HB THR 9 OK 16 84 - 19 - 9117/2.1=5, ~9118=4...(7) QD1 LEU 63 + HB THR 9 OK 15 100 - 15 - 9117/2.1=4, 3.1/9109=3...(5) QG2 ILE 54 - HB THR 9 lone 9 99 - 9 - 9488/3.0=3, 9117/2.1=2...(4) QD2 LEU 55 - HB THR 9 lone 8 98 - 9 - 9117/2.1=3, 11585/3.0=2 QG2 VAL 78 - HB THR 9 lone 3 70 - 5 - 9117/2.1=2, ~9118=1 QD2 LEU 6 - HB THR 9 lone 3 97 - 3 - 9117/2.1=1 QD1 LEU 45 - HB THR 9 lone 3 87 - 3 - QD2 LEU 45 - HB THR 9 lone 2 70 - 3 - 9117/2.1=1 Peak 9109 from cnoeabs.peaks (1.43, 4.32, 67.77 ppm; 4.46 A): 2 out of 11 assignments used, quality = 0.90: HB3 GLN 83 + HB THR 9 OK 88 98 - 89 - 1.8/9110=36, 9994=26...(12) HB3 LEU 63 + HB THR 9 OK 20 100 - 20 - 10755/2.1=5, 3.1/9108=5...(7) HB2 LEU 4 - HB THR 9 lone 6 90 - 7 - 10755/2.1=2, ~11554=2...(4) HB3 LEU 4 - HB THR 9 lone 6 90 - 7 - 10755/2.1=2, ~11554=2...(4) HG3 LYS 17 - HB THR 9 lone 4 100 - 4 - 10755/2.1=1 HG12 ILE 56 - HB THR 9 lone 4 100 - 4 - 10755/2.1=1 QB ALA 113 - HB THR 9 lone 3 73 - 5 - 10755/2.1=2 HG3 LYS 44 - HB THR 9 lone 3 87 - 4 - 10755/2.1=1 HG2 LYS 96 - HB THR 9 lone 2 81 - 3 - HB3 LYS 61 - HB THR 9 lone 2 98 - 2 - HG LEU 80 - HB THR 9 lone 1 77 - 1 - Peak 9110 from cnoeabs.peaks (2.22, 4.32, 67.77 ppm; 4.24 A): 1 out of 6 assignments used, quality = 0.86: HB2 GLN 83 + HB THR 9 OK 86 97 - 88 - 9995=35, 9992/2.8=25...(13) HB2 GLN 100 - HB THR 9 lone 6 94 - 6 - 10757/2.1=1, 3.0/6278=1...(4) HB2 MET 67 - HB THR 9 lone 4 73 - 5 - 10757/2.1=2, ~9712=1 HG3 GLN 28 - HB THR 9 lone 1 70 - 1 - HB2 GLU 69 - HB THR 9 lone 1 65 - 1 - HG2 GLU 48 - HB THR 9 lone 1 70 - 1 - Peak 9115 from cnoeabs.peaks (1.89, 0.86, 19.21 ppm; 4.41 A): 1 out of 20 assignments used, quality = 0.60: HB ILE 7 + QG2 THR 9 OK 60 100 - 60 - ~9082=18, 2.1/9117=15...(8) QE MET 67 - QG2 THR 9 lone 8 84 - 10 - 9724=2, 3.3/9712=2...(4) HB3 LYS 44 - QG2 THR 9 lone 4 84 - 5 - 2.9/10755=1 HG LEU 45 - QG2 THR 9 lone 4 90 - 4 - 2.1/9117=2 HB2 LEU 45 - QG2 THR 9 lone 3 90 - 4 - 3.1/9117=1 HB2 LYS 44 - QG2 THR 9 lone 3 65 - 5 - 2.9/10755=1 HB2 ARG 95 - QG2 THR 9 lone 3 99 - 3 - 3.9/11097=1, 3.9/11097=1 HB3 LYS 43 - QG2 THR 9 lone 3 96 - 3 - 3.0/10756=2 HB2 LYS 96 - QG2 THR 9 lone 3 96 - 3 - HB2 LYS 43 - QG2 THR 9 lone 2 81 - 3 - 3.0/10756=2 HB3 LYS 16 - QG2 THR 9 lone 2 87 - 3 - 4.0/78=2 HG2 ARG 95 - QG2 THR 9 lone 2 70 - 3 - 2.9/11097=1, 2.9/11097=1 HB2 LYS 16 - QG2 THR 9 lone 2 84 - 3 - 4.0/78=2 HB2 LYS 49 - QG2 THR 9 lone 2 98 - 2 - HB3 LYS 20 - QG2 THR 9 lone 1 100 - 1 - HB2 LYS 20 - QG2 THR 9 lone 1 100 - 1 - HB3 LYS 73 - QG2 THR 9 lone 1 100 - 1 - HB2 LYS 73 - QG2 THR 9 lone 1 100 - 1 - HB ILE 71 - QG2 THR 9 lone 1 100 - 1 - HB2 GLU 128 - QG2 THR 9 lone 1 96 - 1 - Peak 9116 from cnoeabs.peaks (1.72, 0.86, 19.21 ppm; 3.83 A): 0 out of 13 assignments used, low quality = 0.42: HG12 ILE 15 - QG2 THR 9 OK 42 97 - 43 - 1.8/9118=17...(6) HB2 LYS 106 - QG2 THR 9 lone 9 100 - 9 - 10284=1, 3.0/10282=1...(6) HB3 LYS 106 - QG2 THR 9 lone 9 99 - 9 - 3.0/10282=1, 10284=1...(6) HB2 LEU 114 - QG2 THR 9 lone 4 73 - 6 - 3.0/10445=1 HG2 ARG 118 - QG2 THR 9 lone 3 92 - 3 - 3.0/10975=1 HD3 LYS 44 - QG2 THR 9 lone 2 70 - 3 - HD2 LYS 44 - QG2 THR 9 lone 2 61 - 3 - HB3 LYS 94 - QG2 THR 9 lone 2 73 - 2 - 3.0/10756=1 HB3 LEU 90 - QG2 THR 9 lone 1 100 - 1 - HB3 LEU 82 - QG2 THR 9 lone 1 70 - 1 - HD2 LYS 39 - QG2 THR 9 lone 1 81 - 1 - HG LEU 74 - QG2 THR 9 lone 1 73 - 1 - HD3 LYS 39 - QG2 THR 9 lone 0 77 - 1 - Peak 9117 from cnoeabs.peaks (0.73, 0.86, 19.21 ppm; 3.03 A): 4 out of 11 assignments used, quality = 0.53: QG2 ILE 7 + QG2 THR 9 OK 31 84 - 37 - 11583=10, 2.1/9115=9...(7) HG13 ILE 18 + QG2 THR 9 OK 15 100 - 15 - 2.1/9118=4, 11585/3.2=3...(5) QD1 LEU 63 + QG2 THR 9 OK 11 92 - 12 - 9108/2.1=2, 11585/3.2=2...(5) QG2 ILE 18 + QG2 THR 9 OK 11 84 - 13 - 2.9/9118=4, 2.1/10975=3...(4) QD2 LEU 55 - QG2 THR 9 lone 9 99 - 9 - 11138=2, 11585/3.2=2...(4) QG2 VAL 78 - QG2 THR 9 lone 5 98 - 5 - 2.1/9118=1, 11291/9115=1 QG2 ILE 54 - QG2 THR 9 lone 5 77 - 6 - 3.1/9118=2, 9108/2.1=1 QD2 LEU 6 - QG2 THR 9 lone 3 99 - 3 - QD2 LEU 45 - QG2 THR 9 lone 3 98 - 3 - QG1 VAL 117 - QG2 THR 9 lone 2 92 - 3 - QD1 LEU 6 - QG2 THR 9 lone 1 73 - 2 - Peak 9118 from cnoeabs.peaks (0.63, 0.86, 19.21 ppm; 3.66 A): 3 out of 7 assignments used, quality = 0.57: HG13 ILE 15 + QG2 THR 9 OK 41 96 - 43 - 1.8/9116=19...(6) QD1 ILE 18 + QG2 THR 9 OK 18 77 - 23 - 2.1/9117=6, 3.2/10975=4...(8) QD1 ILE 5 + QG2 THR 9 OK 11 99 - 11 - 2.1/10975=3...(5) QD1 ILE 54 - QG2 THR 9 lone 9 97 - 9 - 9495/3.2=2, 3.1/9117=2...(4) QG1 VAL 78 - QG2 THR 9 lone 5 84 - 6 - 2.1/9117=2 QD1 LEU 4 - QG2 THR 9 lone 4 81 - 5 - ~11554=1, 3.1/10755=1 QG1 VAL 22 - QG2 THR 9 lone 4 92 - 5 - Peak 9121 from cnoeabs.peaks (6.18, 4.32, 67.77 ppm; 3.72 A): 1 out of 1 assignment used, quality = 1.00: * HG1 THR 9 + HB THR 9 OK 100 100 - 100 - 2.8=100 Peak 9122 from cnoeabs.peaks (4.96, 0.86, 19.21 ppm; 5.34 A): 1 out of 2 assignments used, quality = 0.79: HA ASN 10 + QG2 THR 9 OK 79 99 - 80 - 3.6/9126=37, ~44=27...(6) HA ASN 33 - QG2 THR 9 lone 7 77 - 9 - 3.0/10794=2, 3.6/9319=2...(4) Peak 9123 from cnoeabs.peaks (5.89, 0.86, 19.21 ppm; 5.42 A): 0 out of 1 assignment used, low quality = 0.39: HA ASN 8 - QG2 THR 9 OK 39 87 - 44 - 37/3.9=32, 10750/3.2=15 Peak 9124 from cnoeabs.peaks (6.17, 0.86, 19.21 ppm; 4.18 A): 1 out of 1 assignment used, quality = 0.99: HG1 THR 9 + QG2 THR 9 OK 99 99 - 100 - 3.0=100 Peak 9125 from cnoeabs.peaks (8.24, 0.86, 19.21 ppm; 4.63 A): 2 out of 3 assignments used, quality = 0.67: H ILE 15 + QG2 THR 9 OK 62 100 - 63 - 2.9/11097=24...(11) H GLU 112 + QG2 THR 9 OK 12 100 - 12 - 10399=3, 2699/9116=1 H GLU 89 - QG2 THR 9 lone 3 77 - 4 - 1932/3.9=2 Peak 9126 from cnoeabs.peaks (8.36, 0.86, 19.21 ppm; 4.09 A): 1 out of 3 assignments used, quality = 0.82: H ASN 11 + QG2 THR 9 OK 82 99 - 83 - 9132/3.0=34, 9141/2.1=30...(10) H PHE 79 - QG2 THR 9 lone 4 84 - 5 - 4.1/9117=2, 4.1/9118=2 H ASP 31 - QG2 THR 9 lone 3 73 - 3 - 1859/4.0=1 Peak 9133 from cnoeabs.peaks (6.18, 3.03, 38.35 ppm; 5.22 A): 1 out of 1 assignment used, quality = 0.77: HG1 THR 9 + HB2 ASN 11 OK 77 99 - 78 - 9132/4.1=40, 9134/1.8=35...(7) Peak 9134 from cnoeabs.peaks (6.18, 2.74, 38.35 ppm; 5.58 A): 1 out of 1 assignment used, quality = 0.81: HG1 THR 9 + HB3 ASN 11 OK 81 100 - 81 - 9133/1.8=44, 9132/4.1=42...(7) Peak 9135 from cnoeabs.peaks (7.58, 2.74, 38.35 ppm; 5.49 A): 2 out of 3 assignments used, quality = 0.91: H LEU 14 + HB3 ASN 11 OK 90 100 - 90 - 9159/1.8=39, 9158=29...(9) H LYS 17 + HB3 ASN 11 OK 14 99 - 14 - 9136/1.8=6, 1972/4.4=4 HE21 GLN 25 - HB3 ASN 11 lone 2 73 - 3 - Peak 9136 from cnoeabs.peaks (7.58, 3.03, 38.35 ppm; 5.02 A): 2 out of 3 assignments used, quality = 0.92: H LEU 14 + HB2 ASN 11 OK 91 100 - 91 - 9159=36, 9135/1.8=29...(11) H LYS 17 + HB2 ASN 11 OK 15 99 - 15 - 1987/10760=5, 9135/1.8=4...(4) HE21 GLN 25 - HB2 ASN 11 lone 2 73 - 3 - Peak 9137 from cnoeabs.peaks (1.82, 3.03, 38.35 ppm; 4.72 A): 3 out of 11 assignments used, quality = 0.93: HB2 LEU 14 + HB2 ASN 11 OK 90 98 - 92 - 4.0/9136=21, 1.8/9167=20...(20) HB ILE 3 + HB2 ASN 11 OK 17 90 - 19 - 9001/3.0=5, 9145/1.8=5...(4) HB ILE 57 + HB2 ASN 11 OK 11 98 - 11 - 9145/1.8=2, 9142/4.1=2...(4) HG12 ILE 5 - HB2 ASN 11 poor 10 92 - 11 - 9145/1.8=3, 9142/4.1=2 HB ILE 18 - HB2 ASN 11 lone 8 99 - 9 - 9145/1.8=2, 9142/4.1=2...(5) HB3 ARG 105 - HB2 ASN 11 lone 5 100 - 5 - 9145/1.8=1 QE MET 121 - HB2 ASN 11 lone 5 84 - 5 - 1090/9136=1 HB ILE 97 - HB2 ASN 11 lone 4 94 - 4 - 9145/1.8=1 HG2 ARG 105 - HB2 ASN 11 lone 4 87 - 4 - 9145/1.8=1 HB2 ARG 118 - HB2 ASN 11 lone 4 65 - 5 - 3.0/9138=1, 9145/1.8=1, ~9146=1 HB3 LYS 19 - HB2 ASN 11 lone 1 70 - 1 - Peak 9138 from cnoeabs.peaks (1.49, 3.03, 38.35 ppm; 5.28 A): 2 out of 9 assignments used, quality = 0.89: HB3 LEU 14 + HB2 ASN 11 OK 80 84 - 95 - 1.8/9137=26, 4.0/9136=26...(18) HB3 LEU 45 + HB2 ASN 11 OK 44 100 - 44 - 9146/1.8=12, ~9438=11...(8) HG3 ARG 118 - HB2 ASN 11 lone 6 100 - 6 - 9146/1.8=2 HG3 LYS 73 - HB2 ASN 11 lone 3 97 - 3 - HD2 LYS 53 - HB2 ASN 11 lone 3 99 - 3 - HG3 LYS 20 - HB2 ASN 11 lone 2 94 - 3 - HG2 ARG 30 - HB2 ASN 11 lone 2 87 - 2 - QB ALA 124 - HB2 ASN 11 lone 2 61 - 3 - HB2 LEU 74 - HB2 ASN 11 lone 1 61 - 2 - Peak 9139 from cnoeabs.peaks (0.86, 3.03, 38.35 ppm; 4.76 A): 2 out of 9 assignments used, quality = 0.98: QD1 LEU 14 + HB2 ASN 11 OK 89 100 - 89 - 2.1/9170=20, 4.3/9136=20...(20) QG2 THR 9 + HB2 ASN 11 OK 80 100 - 80 - 9126/4.1=29, 3.0/9133=29...(11) QG2 ILE 15 - HB2 ASN 11 OK 34 81 - 42 - 4.1/10760=23, 3.0/9140=8...(9) HG13 ILE 57 - HB2 ASN 11 lone 9 100 - 9 - 2.9/9137=2, 9147/1.8=2, ~9145=1 QG2 VAL 107 - HB2 ASN 11 lone 8 97 - 8 - 9147/1.8=2, 2.1/9140=1, ~9148=1 HG13 ILE 5 - HB2 ASN 11 lone 8 77 - 10 - 1.8/9137=3, ~9145=2, 9147/1.8=1 QG1 VAL 32 - HB2 ASN 11 lone 7 98 - 7 - 9147/1.8=1, 2.1/9140=1 QG2 VAL 22 - HB2 ASN 11 lone 3 97 - 3 - QG2 VAL 117 - HB2 ASN 11 lone 3 99 - 3 - Peak 9140 from cnoeabs.peaks (0.75, 3.03, 38.35 ppm; 4.66 A): 3 out of 11 assignments used, quality = 0.94: QD2 LEU 14 + HB2 ASN 11 OK 82 90 - 92 - 9170=21, 4.3/9136=19...(23) QD1 ILE 15 + HB2 ASN 11 OK 47 87 - 55 - 5.0/10760=18...(10) QD1 LEU 45 + HB2 ASN 11 OK 36 100 - 36 - 9439/1.8=10, ~9438=10...(9) QG1 VAL 107 - HB2 ASN 11 lone 7 90 - 8 - 9148/1.8=2, 2.1/9139=1, ~9147=1 QG2 VAL 32 - HB2 ASN 11 lone 7 90 - 7 - 9148/1.8=1, 9144/4.1=1 QG2 ILE 7 - HB2 ASN 11 lone 6 96 - 7 - 11583/11098=2, 9148/1.8=1 QD1 ILE 7 - HB2 ASN 11 lone 6 77 - 8 - 9144/4.1=1...(3) QD1 LEU 63 - HB2 ASN 11 lone 4 90 - 5 - 9148/1.8=1 QG2 ILE 54 - HB2 ASN 11 lone 3 98 - 3 - 9494/4.1=1 QD2 LEU 55 - HB2 ASN 11 lone 2 73 - 2 - QD2 LEU 6 - HB2 ASN 11 lone 1 70 - 1 - Peak 9145 from cnoeabs.peaks (1.81, 2.74, 38.35 ppm; 4.93 A): 3 out of 10 assignments used, quality = 0.86: HB2 LEU 14 + HB3 ASN 11 OK 80 87 - 92 - 9137/1.8=23, 4.0/9135=21...(20) HB ILE 3 + HB3 ASN 11 OK 20 99 - 20 - 9001/3.0=6, 9142/4.1=5...(4) HG12 ILE 5 + HB3 ASN 11 OK 10 99 - 11 - 9137/1.8=3, 9142/4.1=2 HB ILE 57 - HB3 ASN 11 poor 9 87 - 10 - 9137/1.8=3, 9142/4.1=2 HB ILE 18 - HB3 ASN 11 lone 7 92 - 8 - 9137/1.8=2, 9142/4.1=2 HB2 ARG 118 - HB3 ASN 11 lone 5 87 - 5 - 3.0/9146=1, ~9138=1 HB ILE 97 - HB3 ASN 11 lone 5 100 - 5 - 2.1/10118=1, 9137/1.8=1 HB3 ARG 105 - HB3 ASN 11 lone 5 99 - 5 - 9137/1.8=1 HG2 ARG 105 - HB3 ASN 11 lone 4 98 - 4 - QE MET 121 - HB3 ASN 11 lone 3 61 - 5 - 1090/9135=1, 9137/1.8=1 Peak 9146 from cnoeabs.peaks (1.48, 2.74, 38.35 ppm; 5.70 A): 2 out of 9 assignments used, quality = 0.80: HB3 LEU 14 + HB3 ASN 11 OK 63 65 - 96 - 4.0/9135=27, 1.8/9145=26...(18) HB3 LEU 45 + HB3 ASN 11 OK 45 98 - 47 - 3.1/9438=14, 9138/1.8=14...(7) HG3 ARG 118 - HB3 ASN 11 lone 7 100 - 7 - 9138/1.8=2, 3.0/9145=1 HG3 LYS 73 - HB3 ASN 11 lone 3 100 - 3 - HD2 LYS 53 - HB3 ASN 11 lone 3 100 - 3 - HG3 LYS 20 - HB3 ASN 11 lone 3 99 - 3 - HB3 LEU 38 - HB3 ASN 11 lone 3 61 - 4 - HG2 ARG 30 - HB3 ASN 11 lone 2 70 - 3 - HB2 LEU 74 - HB3 ASN 11 lone 2 81 - 2 - Peak 9147 from cnoeabs.peaks (0.86, 2.74, 38.35 ppm; 4.84 A): 2 out of 9 assignments used, quality = 0.97: QD1 LEU 14 + HB3 ASN 11 OK 91 100 - 91 - 4.3/9135=19, ~9170=18...(20) QG2 THR 9 + HB3 ASN 11 OK 71 100 - 71 - 9126/4.1=30, 3.0/9134=26...(8) QG2 ILE 15 - HB3 ASN 11 OK 21 81 - 26 - 3.0/9148=7, ~9140=6...(8) QG2 VAL 107 - HB3 ASN 11 OK 11 97 - 11 - 2.1/9148=2...(5) HG13 ILE 57 - HB3 ASN 11 lone 9 100 - 9 - 2.9/9145=2, ~9137=2, 9139/1.8=2 QG1 VAL 32 - HB3 ASN 11 lone 8 98 - 7 - 2.1/9148=1, 9139/1.8=1...(4) HG13 ILE 5 - HB3 ASN 11 lone 7 77 - 9 - 1.8/9145=3, ~9137=2, 9139/1.8=1 QG2 VAL 22 - HB3 ASN 11 lone 3 97 - 3 - QG2 VAL 117 - HB3 ASN 11 lone 3 99 - 3 - Peak 9148 from cnoeabs.peaks (0.75, 2.74, 38.35 ppm; 4.70 A): 3 out of 11 assignments used, quality = 0.93: QD2 LEU 14 + HB3 ASN 11 OK 81 90 - 90 - 9170/1.8=20, 4.3/9135=18...(22) QD1 LEU 45 + HB3 ASN 11 OK 42 100 - 42 - 9439=12, 2.1/9438=10...(10) QD1 ILE 15 + HB3 ASN 11 OK 38 87 - 44 - 9171/4.1=18, 9172/4.4=13...(8) QG1 VAL 107 - HB3 ASN 11 lone 9 90 - 10 - 2.1/9147=2, 9140/1.8=1...(4) QG2 VAL 32 - HB3 ASN 11 lone 7 90 - 7 - 9140/1.8=1, 9144/4.1=1 QG2 ILE 7 - HB3 ASN 11 lone 6 96 - 6 - 9140/1.8=1, 11583/9147=1 QD1 ILE 7 - HB3 ASN 11 lone 6 77 - 7 - 9144/4.1=1, 9140/1.8=1 QD1 LEU 63 - HB3 ASN 11 lone 5 90 - 5 - QG2 ILE 54 - HB3 ASN 11 lone 3 98 - 3 - 9494/4.1=1 QD2 LEU 55 - HB3 ASN 11 lone 2 73 - 2 - QD2 LEU 6 - HB3 ASN 11 lone 1 70 - 1 - Peak 9154 from cnoeabs.peaks (0.75, 4.27, 57.61 ppm; 3.41 A): 2 out of 11 assignments used, quality = 0.69: QD1 ILE 15 + HA ASP 12 OK 64 87 - 74 - 9174=32, 3.2/7965=22...(12) QD2 LEU 14 + HA ASP 12 OK 14 90 - 16 - 4.3/1974=7, 7358/7964=3...(4) QG2 ILE 54 - HA ASP 12 lone 2 98 - 2 - QD1 LEU 45 - HA ASP 12 lone 2 100 - 2 - QG1 VAL 107 - HA ASP 12 lone 2 90 - 2 - QD1 ILE 7 - HA ASP 12 lone 1 77 - 1 - QG2 VAL 32 - HA ASP 12 lone 1 90 - 1 - QG2 ILE 7 - HA ASP 12 lone 1 96 - 1 - QD2 LEU 55 - HA ASP 12 lone 1 73 - 1 - QD1 LEU 63 - HA ASP 12 lone 0 90 - 0 - QD2 LEU 6 - HA ASP 12 lone 0 70 - 0 - Peak 9155 from cnoeabs.peaks (0.63, 4.27, 57.61 ppm; 4.75 A): 2 out of 6 assignments used, quality = 0.90: HG13 ILE 15 + HA ASP 12 OK 88 100 - 88 - 2.1/9174=38, 2.9/7965=37...(11) QD1 ILE 5 + HA ASP 12 OK 12 92 - 14 - 2.1/9156=4, 3.0/9156=3...(5) QG1 VAL 22 - HA ASP 12 lone 7 99 - 7 - 1100/7964=1, 2.1/9156=1...(5) QD1 ILE 54 - HA ASP 12 lone 6 100 - 6 - 1100/7964=1 QD1 LEU 4 - HA ASP 12 lone 4 96 - 4 - QG1 VAL 78 - HA ASP 12 lone 2 61 - 3 - 9886/3.0=2 Peak 9156 from cnoeabs.peaks (0.84, 4.27, 57.61 ppm; 4.04 A): 1 out of 6 assignments used, quality = 0.81: QG2 ILE 15 + HA ASP 12 OK 81 96 - 85 - 2.1/7965=36, 3.0/9174=28...(11) HG13 ILE 5 - HA ASP 12 lone 8 97 - 8 - 2.1/9155=3, 3.2/9178=2 QG2 ILE 5 - HA ASP 12 lone 8 100 - 8 - 3.0/9155=3, 9178=2 QG2 VAL 22 - HA ASP 12 lone 3 77 - 3 - 2.1/9155=2 QG2 ILE 57 - HA ASP 12 lone 2 100 - 2 - QD2 LEU 82 - HA ASP 12 lone 1 81 - 1 - Peak 9163 from cnoeabs.peaks (1.72, 3.98, 57.26 ppm; 4.45 A): 2 out of 13 assignments used, quality = 0.63: HG12 ILE 15 + HA LEU 14 OK 56 97 - 58 - 1099/3.6=26, 2.9/7979=10...(9) HB2 LEU 114 + HA LEU 14 OK 15 73 - 21 - 1099/3.6=4, 1.8/8241=3...(8) HB2 LYS 106 - HA LEU 14 lone 4 100 - 4 - HB3 LYS 106 - HA LEU 14 lone 3 99 - 3 - HD2 LYS 39 - HA LEU 14 lone 3 81 - 4 - 9161/3.0=1 HB3 LYS 94 - HA LEU 14 lone 3 73 - 4 - HD3 LYS 39 - HA LEU 14 lone 3 77 - 4 - 9161/3.0=1 HD3 LYS 44 - HA LEU 14 lone 2 70 - 2 - HB3 LEU 90 - HA LEU 14 lone 2 100 - 2 - HG2 ARG 118 - HA LEU 14 lone 2 92 - 2 - HD2 LYS 44 - HA LEU 14 lone 1 61 - 2 - HB3 LEU 82 - HA LEU 14 lone 1 70 - 2 - HG LEU 74 - HA LEU 14 lone 1 73 - 1 - Peak 9164 from cnoeabs.peaks (0.63, 3.98, 57.26 ppm; 5.24 A): 4 out of 7 assignments used, quality = 0.95: HG13 ILE 15 + HA LEU 14 OK 74 96 - 77 - 1.8/9163=28, 2706/3.6=27...(12) QD1 ILE 5 + HA LEU 14 OK 55 99 - 56 - 11652/4.0=12, 9063=12...(14) QD1 ILE 18 + HA LEU 14 OK 39 77 - 50 - 5.0/7981=16...(8) QD1 ILE 54 + HA LEU 14 OK 29 97 - 29 - 11330/3.0=5, 9063=4...(8) QG1 VAL 22 - HA LEU 14 OK 29 92 - 31 - 2.1/7977=8, 9160/3.0=4...(9) QD1 LEU 4 - HA LEU 14 lone 6 81 - 8 - 9160/3.0=1, 1100/3.6=1 QG1 VAL 78 - HA LEU 14 lone 4 84 - 4 - 11652/4.0=1 Peak 9165 from cnoeabs.peaks (0.64, 1.82, 40.10 ppm; 5.81 A): 4 out of 6 assignments used, quality = 0.92: HG13 ILE 15 + HB2 LEU 14 OK 75 100 - 75 - 2706/4.6=29, ~9163=21...(12) QD1 ILE 5 + HB2 LEU 14 OK 38 81 - 48 - ~11519=12, 9063/3.0=11...(9) QG1 VAL 22 + HB2 LEU 14 OK 29 100 - 29 - 9160/4.0=6, ~7977=6...(9) QD1 ILE 54 + HB2 LEU 14 OK 27 100 - 26 - 11330/1.8=6, 9160/4.0=5...(8) QD1 LEU 4 - HB2 LEU 14 lone 7 99 - 7 - 9160/4.0=2, 1100/4.6=1 QD1 ILE 71 - HB2 LEU 14 lone 3 73 - 4 - 9160/4.0=1 Peak 9166 from cnoeabs.peaks (3.02, 1.82, 40.10 ppm; 5.25 A): 3 out of 9 assignments used, quality = 0.90: HB2 ASN 11 + HB2 LEU 14 OK 87 92 - 95 - 9137=25, 9170/3.1=23...(20) HE3 LYS 49 + HB2 LEU 14 OK 11 100 - 11 - 9170/3.1=3, ~9167=2...(5) HE2 LYS 49 + HB2 LEU 14 OK 11 100 - 11 - 9170/3.1=3, ~9167=2...(5) HB2 ASN 59 - HB2 LEU 14 lone 6 92 - 7 - 9170/3.1=3, ~9621=2, ~10769=1 HE2 LYS 123 - HB2 LEU 14 lone 6 99 - 6 - 9170/3.1=1, 9167/1.8=1 HE2 LYS 94 - HB2 LEU 14 lone 6 100 - 6 - 9170/3.1=2, 9167/1.8=1 HE3 LYS 123 - HB2 LEU 14 lone 6 96 - 6 - 9170/3.1=1, ~9167=1 HB2 PHE 51 - HB2 LEU 14 lone 6 92 - 6 - ~4603=2, 9170/3.1=1, 9167/1.8=1 HB3 PHE 93 - HB2 LEU 14 lone 3 61 - 5 - 9167/1.8=1 Peak 9167 from cnoeabs.peaks (3.03, 1.50, 40.10 ppm; 5.46 A): 1 out of 8 assignments used, quality = 0.96: HB2 ASN 11 + HB3 LEU 14 OK 96 100 - 96 - 9136/4.0=27, 9137/1.8=27...(18) HE3 LYS 49 - HB3 LEU 14 poor 10 84 - 12 - ~9166=3, 9166/1.8=3...(5) HE2 LYS 49 - HB3 LEU 14 poor 10 84 - 12 - ~9166=3, 9166/1.8=3...(5) HB2 PHE 51 - HB3 LEU 14 lone 6 100 - 6 - ~4603=2, 9166/1.8=1, 9170/3.1=1 HE2 LYS 123 - HB3 LEU 14 lone 6 77 - 7 - 9166/1.8=1, ~9166=1...(4) HB3 PHE 93 - HB3 LEU 14 lone 5 96 - 6 - 9159/4.0=1 HE2 LYS 94 - HB3 LEU 14 lone 5 94 - 6 - 9166/1.8=1, 9170/3.1=1 HE3 LYS 123 - HB3 LEU 14 lone 4 61 - 7 - ~9166=1, 9166/1.8=1...(4) Peak 9168 from cnoeabs.peaks (4.09, 0.86, 22.48 ppm; 3.58 A): 1 out of 5 assignments used, quality = 0.71: HA ASP 110 + QD1 LEU 14 OK 71 100 - 71 - 10371=23, 3.0/10910=21...(11) HA LYS 20 - QD1 LEU 14 lone 7 99 - 7 - 9169/2.1=2, 3036/3.1=2 HA LYS 43 - QD1 LEU 14 lone 6 99 - 6 - 9169/2.1=2, 3815/2.1=2 HA GLN 62 - QD1 LEU 14 lone 2 84 - 3 - HA GLU 91 - QD1 LEU 14 lone 1 61 - 1 - Peak 9169 from cnoeabs.peaks (4.10, 0.76, 24.53 ppm; 4.20 A): 1 out of 4 assignments used, quality = 0.82: HA ASP 110 + QD2 LEU 14 OK 82 100 - 83 - 9168/2.1=34, 10372=25...(15) HA LYS 20 - QD2 LEU 14 lone 9 92 - 10 - 9168/2.1=3, 3036/3.1=2...(5) HA LYS 43 - QD2 LEU 14 lone 8 94 - 8 - 9168/2.1=3, 3815/2.1=2 HA GLN 62 - QD2 LEU 14 lone 3 96 - 3 - 9168/2.1=1 Peak 9170 from cnoeabs.peaks (3.02, 0.76, 24.53 ppm; 4.80 A): 2 out of 9 assignments used, quality = 0.86: HB2 ASN 11 + QD2 LEU 14 OK 85 92 - 92 - 9136/4.3=18, 9166/3.1=17...(23) HB2 ASN 59 + QD2 LEU 14 OK 11 92 - 12 - 3.5/9618=4, 3.5/9617=3...(4) HE2 LYS 49 - QD2 LEU 14 lone 9 100 - 9 - 9166/3.1=2, ~11519=2...(5) HE3 LYS 49 - QD2 LEU 14 lone 9 100 - 9 - 9166/3.1=2, ~11519=2...(5) HE2 LYS 94 - QD2 LEU 14 lone 6 100 - 6 - 9166/3.1=1 HB2 PHE 51 - QD2 LEU 14 lone 5 92 - 6 - 2.4/4603=2, 9166/3.1=1 HE2 LYS 123 - QD2 LEU 14 lone 5 99 - 5 - 9166/3.1=1 HE3 LYS 123 - QD2 LEU 14 lone 5 96 - 5 - 9166/3.1=1 HB3 PHE 93 - QD2 LEU 14 lone 3 61 - 4 - Peak 9171 from cnoeabs.peaks (8.37, 0.76, 13.07 ppm; 5.00 A): 1 out of 3 assignments used, quality = 0.70: H ASN 11 + QD1 ILE 15 OK 70 100 - 70 - 3.6/9175=36, 9144=20...(10) H PHE 79 - QD1 ILE 15 lone 6 97 - 7 - ~11380=3, 9899/3.0=2, 4.7/9172=1 H ASP 31 - QD1 ILE 15 lone 5 92 - 5 - 9273=2 Peak 9172 from cnoeabs.peaks (8.59, 0.76, 13.07 ppm; 5.70 A): 1 out of 5 assignments used, quality = 0.95: H ASP 12 + QD1 ILE 15 OK 95 100 - 95 - 3.0/9174=39, 4.6/9171=28...(15) H ALA 124 - QD1 ILE 15 OK 10 73 - 14 - ~10620=5, ~10619=4...(5) H LEU 80 - QD1 ILE 15 lone 6 73 - 8 - 4.7/9171=3, 9916/2.1=2 H THR 108 - QD1 ILE 15 lone 3 61 - 4 - 4.6/10355=1 H ILE 71 - QD1 ILE 15 lone 2 84 - 2 - Peak 9174 from cnoeabs.peaks (4.28, 0.76, 13.07 ppm; 3.40 A): 1 out of 5 assignments used, quality = 0.72: HA ASP 12 + QD1 ILE 15 OK 72 99 - 73 - 9154=29, 7965/3.2=21...(13) HA GLU 52 - QD1 ILE 15 lone 6 57 - 10 - ~11351=3, ~10801=2...(4) HA GLU 41 - QD1 ILE 15 lone 6 77 - 7 - 7966/3.2=2, 9398=1, 9178/3.0=1 HA LYS 73 - QD1 ILE 15 lone 6 84 - 7 - 3.6/7364=4, 7966/3.2=1 HA LEU 127 - QD1 ILE 15 lone 2 99 - 2 - Peak 9175 from cnoeabs.peaks (4.96, 0.76, 13.07 ppm; 4.31 A): 0 out of 1 assignment used, low quality = 0.28: HA ASN 10 - QD1 ILE 15 OK 28 90 - 32 - 3.6/9171=20, 3.0/9129=12...(4) Peak 9176 from cnoeabs.peaks (6.74, 0.76, 13.07 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.47: HD22 ASN 59 + QD1 ILE 15 OK 47 87 - 55 - 9618=21, 1.7/9617=15...(6) HE22 GLN 100 - QD1 ILE 15 lone 2 87 - 2 - Peak 9177 from cnoeabs.peaks (3.82, 0.85, 17.08 ppm; 4.54 A): 0 out of 4 assignments used, low quality = 0.00: HA2 GLY 75 - QG2 ILE 15 lone 2 77 - 2 - 1.8/10984=1 HA2 GLY 26 - QG2 ILE 5 lone 2 91 - 2 - ~9064=1 HA2 GLY 75 - QG2 ILE 5 lone 1 69 - 2 - HA2 GLY 26 - QG2 ILE 15 lone 1 98 - 1 - Peak 9178 from cnoeabs.peaks (4.27, 0.85, 17.08 ppm; 4.57 A): 4 out of 14 assignments used, quality = 0.94: HA ASP 12 + QG2 ILE 15 OK 90 98 - 91 - 7965/2.1=38, 9156=36...(12) HA GLU 52 + QG2 ILE 15 OK 18 94 - 19 - ~11351=4, 7966/2.1=4...(6) HA GLU 41 + QG2 ILE 15 OK 13 99 - 13 - 7966/2.1=4, 9398/3.0=3...(5) HA ASP 12 + QG2 ILE 5 OK 12 91 - 13 - 9156=3, 9155/3.0=3, 9156/3.2=3 HA GLU 52 - QG2 ILE 5 lone 5 86 - 6 - ~11351=2, ~10801=1, ~11545=1 HA LEU 127 - QG2 ILE 15 lone 3 77 - 4 - 7966/2.1=1 HA VAL 32 - QG2 ILE 15 lone 2 61 - 4 - HA ALA 46 - QG2 ILE 15 lone 1 77 - 2 - HA GLU 41 - QG2 ILE 5 lone 1 93 - 1 - HA LEU 127 - QG2 ILE 5 lone 1 69 - 2 - HA GLU 47 - QG2 ILE 15 lone 1 70 - 1 - HA ALA 46 - QG2 ILE 5 lone 1 69 - 1 - HA GLU 47 - QG2 ILE 5 lone 1 62 - 1 - HA VAL 32 - QG2 ILE 5 lone 1 54 - 1 - Peak 9179 from cnoeabs.peaks (1.39, 3.22, 66.59 ppm; 5.70 A): 3 out of 7 assignments used, quality = 0.91: HG LEU 14 + HA ILE 15 OK 81 90 - 91 - 72/2.9=27, ~7357=22...(16) HG3 LYS 16 + HA ILE 15 OK 35 97 - 36 - 2760/3.6=30, 72/2.9=5 HB3 LEU 114 + HA ILE 15 OK 23 96 - 24 - 10777/7983=5, ~1099=5...(6) HG2 LYS 40 - HA ILE 15 lone 7 92 - 8 - 1107/3.6=5, 72/2.9=1 HG3 LYS 106 - HA ILE 15 lone 4 84 - 4 - HB3 LEU 68 - HA ILE 15 lone 4 96 - 4 - HG3 LYS 43 - HA ILE 15 lone 3 61 - 4 - 72/2.9=1 Peak 9180 from cnoeabs.peaks (2.68, 0.85, 17.08 ppm; 3.70 A): 0 out of 20 assignments used, low quality = 0.35: HB2 TYR 27 - QG2 ILE 5 OK 26 62 - 42 - 2.5/9049=10, 4.4/4596=5...(13) HB3 ASP 110 - QG2 ILE 15 OK 12 100 - 12 - 1.8/10377=2, 11419=2...(5) HE2 LYS 19 - QG2 ILE 5 poor 10 54 - 18 - 3.0/10913=5, 3.0/10913=5...(4) HE3 LYS 19 - QG2 ILE 5 poor 10 54 - 18 - 3.0/10913=5, 3.0/10913=5...(4) HB2 TYR 27 - QG2 ILE 15 poor 9 70 - 13 - 2.5/9049=3, 1.8/9216=2...(8) HB2 TYR 76 - QG2 ILE 15 poor 8 73 - 11 - ~4610=3, ~4618=2...(5) HE3 LYS 19 - QG2 ILE 15 poor 7 61 - 12 - 3.0/10913=4, 3.0/10913=4 HE2 LYS 19 - QG2 ILE 15 poor 7 61 - 12 - 3.0/10913=4, 3.0/10913=4 HB3 ASP 110 - QG2 ILE 5 lone 3 95 - 3 - HB3 ASN 33 - QG2 ILE 15 lone 1 94 - 1 - HB2 TYR 76 - QG2 ILE 5 lone 1 65 - 2 - HE3 LYS 61 - QG2 ILE 5 lone 1 91 - 1 - HE2 LYS 61 - QG2 ILE 5 lone 1 91 - 1 - HE3 LYS 61 - QG2 ILE 15 lone 1 98 - 1 - HE2 LYS 61 - QG2 ILE 15 lone 1 98 - 1 - HB3 ASP 84 - QG2 ILE 5 lone 1 65 - 1 - HB3 ASN 33 - QG2 ILE 5 lone 0 86 - 1 - HB3 ASP 84 - QG2 ILE 15 lone 0 73 - 0 - HB3 ASP 36 - QG2 ILE 15 lone 0 65 - 0 - HB3 ASP 36 - QG2 ILE 5 lone 0 58 - 0 - Peak 9181 from cnoeabs.peaks (2.65, 1.92, 37.42 ppm; 6.11 A): 2 out of 7 assignments used, quality = 0.96: HB3 ASP 12 + HB ILE 15 OK 80 90 - 90 - 3.0/7965=40, ~9156=30...(9) HB2 ASP 12 + HB ILE 15 OK 80 90 - 90 - 3.0/7965=40, ~9156=30...(9) HB2 TYR 27 - HB ILE 15 OK 31 92 - 33 - 4.4/10837=5, 9214/2.9=5...(9) HB2 TYR 76 - HB ILE 15 OK 25 90 - 29 - ~4610=8, ~4618=6...(7) HG2 MET 42 - HB ILE 15 lone 4 100 - 4 - HB3 ASP 36 - HB ILE 15 lone 2 94 - 2 - HB3 ASP 84 - HB ILE 15 lone 2 90 - 2 - Peak 9182 from cnoeabs.peaks (2.63, 0.76, 13.07 ppm; 5.51 A): 3 out of 4 assignments used, quality = 0.89: HB3 ASP 12 + QD1 ILE 15 OK 65 73 - 89 - 3.0/9174=39, 4.0/9172=24...(11) HB2 ASP 12 + QD1 ILE 15 OK 65 73 - 89 - 3.0/9174=39, 4.0/9172=24...(11) HG3 MET 121 + QD1 ILE 15 OK 12 100 - 12 - ~10602=5, ~10594=3, ~10600=2 HE2 LYS 53 - QD1 ILE 15 lone 4 100 - 4 - ~9469=2 Peak 9186 from cnoeabs.peaks (0.84, 3.37, 65.47 ppm; 4.27 A): 6 out of 8 assignments used, quality = 0.93: QG2 VAL 22 + HA ILE 18 OK 52 84 - 62 - 2.1/8005=12...(15) QG2 ILE 15 + HA ILE 18 OK 47 98 - 48 - ~7983=10, ~1993=8...(13) HG13 ILE 5 + HA ILE 18 OK 38 99 - 38 - 2.1/2906=10, ~1128=5...(14) QG2 ILE 5 + HA ILE 18 OK 36 100 - 36 - 3.0/2906=9, 10779/3.8=5...(14) QG2 ILE 57 + HA ILE 18 OK 21 100 - 21 - 9204/2008=4, 10781/3.6=3...(10) QD1 LEU 14 + HA ILE 18 OK 16 65 - 24 - 11652/4.2=5, 9185/3.0=5...(7) HG13 ILE 57 - HA ILE 18 poor 9 65 - 14 - 10781/3.6=4, 9185/3.0=2...(6) QD2 LEU 82 - HA ILE 18 lone 1 73 - 1 - Peak 9187 from cnoeabs.peaks (1.40, 3.37, 65.47 ppm; 6.20 A): 2 out of 5 assignments used, quality = 0.97: HB3 LEU 114 + HA ILE 18 OK 93 100 - 93 - 3.1/10439=49...(12) QB ALA 113 + HA ILE 18 OK 63 90 - 70 - 10421/4.2=28...(11) HG3 LYS 16 - HA ILE 18 OK 12 100 - 12 - 10777/3.0=9 HG3 LYS 106 - HA ILE 18 lone 4 100 - 4 - HB3 LEU 68 - HA ILE 18 lone 3 65 - 4 - Peak 9188 from cnoeabs.peaks (1.96, 3.37, 65.47 ppm; 4.17 A): 1 out of 12 assignments used, quality = 0.72: HB3 GLU 21 + HA ILE 18 OK 72 92 - 79 - 8006=35, 1.8/8004=22...(10) HB3 LYS 40 - HA ILE 18 lone 6 65 - 8 - ~8062=2, ~94=2...(4) HB VAL 29 - HA ILE 18 lone 5 92 - 5 - 2.1/11028=2 HB2 GLU 41 - HA ILE 18 lone 3 84 - 4 - 10446/10439=2 HB3 GLU 41 - HA ILE 18 lone 3 81 - 4 - 10446/10439=2 HB3 LYS 39 - HA ILE 18 lone 2 77 - 3 - ~8056=1 HB3 MET 42 - HA ILE 18 lone 2 84 - 2 - HB3 ARG 95 - HA ILE 18 lone 2 97 - 2 - HB3 LYS 96 - HA ILE 18 lone 1 96 - 1 - HB3 GLU 52 - HA ILE 18 lone 1 90 - 1 - HB VAL 104 - HA ILE 18 lone 1 70 - 2 - HB3 GLU 128 - HA ILE 18 lone 1 94 - 1 - Peak 9189 from cnoeabs.peaks (3.97, 3.37, 65.47 ppm; 5.79 A): 2 out of 4 assignments used, quality = 0.93: HA GLU 21 + HA ILE 18 OK 90 99 - 91 - 3.0/8006=45, 2.9/2008=45...(8) HA LEU 14 + HA ILE 18 OK 30 65 - 46 - 9196/4.2=16, 7981/3.0=14...(8) HB3 SER 35 - HA ILE 18 lone 4 65 - 5 - ~10797=1, 9196/4.2=1, ~9338=1 HA MET 67 - HA ILE 18 lone 2 61 - 4 - Peak 9190 from cnoeabs.peaks (3.22, 0.72, 17.36 ppm; 5.28 A): 4 out of 4 assignments used, quality = 0.94: HA ILE 15 + QG2 ILE 18 OK 70 99 - 71 - 7983/4.0=24, 7985/2.1=21...(11) HB2 PHE 120 + QG2 ILE 18 OK 70 99 - 71 - 7985/2.1=18, 9192/2.9=12...(18) HD2 ARG 95 + QG2 ILE 18 OK 17 100 - 17 - 7985/2.1=4, ~7985=3...(6) HD3 ARG 95 + QG2 ILE 18 OK 17 100 - 17 - 7985/2.1=4, ~7985=3...(6) Peak 9191 from cnoeabs.peaks (3.67, 0.72, 17.36 ppm; 4.77 A): 1 out of 1 assignment used, quality = 0.77: HA LYS 19 + QG2 ILE 18 OK 77 98 - 79 - ~7384=20, 3.0/105=16...(18) Peak 9192 from cnoeabs.peaks (3.22, 0.61, 13.41 ppm; 3.67 A): 4 out of 8 assignments used, quality = 0.81: HB2 PHE 120 + QD1 ILE 5 OK 42 78 - 54 - 2.4/4709=9, 11658/2.1=7...(16) HB2 PHE 120 + QD1 ILE 18 OK 41 100 - 41 - 7985/3.2=9, 2.4/4709=6...(15) HA ILE 15 + QD1 ILE 18 OK 36 100 - 36 - 10773/2.9=11...(8) HA ILE 15 + QD1 ILE 5 OK 13 78 - 17 - 11658/2.1=3, 2683=2...(8) HD2 ARG 95 - QD1 ILE 18 lone 8 99 - 8 - 7985/3.2=2, 9190/2.9=2...(5) HD3 ARG 95 - QD1 ILE 18 lone 8 99 - 8 - 7985/3.2=2, 9190/2.9=2...(5) HD2 ARG 95 - QD1 ILE 5 lone 1 76 - 1 - HD3 ARG 95 - QD1 ILE 5 lone 1 75 - 1 - Peak 9196 from cnoeabs.peaks (3.97, 0.61, 13.41 ppm; 4.19 A): 0 out of 8 assignments used, low quality = 0.39: HA LEU 14 - QD1 ILE 18 OK 21 65 - 32 - 4.0/11652=9, 3.7/11651=9...(9) HA LEU 14 - QD1 ILE 5 OK 13 44 - 29 - 4.0/11652=9, 3.7/11651=8...(9) HA GLU 21 - QD1 ILE 18 OK 12 99 - 12 - 9189/4.2=11 HA GLU 21 - QD1 ILE 5 lone 4 76 - 5 - ~9204=3, 9189/2906=1 HB3 SER 35 - QD1 ILE 18 lone 2 65 - 2 - HA MET 67 - QD1 ILE 5 lone 2 41 - 4 - 9703=1 HA MET 67 - QD1 ILE 18 lone 1 61 - 1 - HB3 SER 35 - QD1 ILE 5 lone 0 44 - 1 - Peak 9197 from cnoeabs.peaks (1.39, 0.61, 13.41 ppm; 3.19 A): 4 out of 14 assignments used, quality = 0.75: HB3 LEU 114 + QD1 ILE 18 OK 56 99 - 56 - 3.0/11126=10...(14) HG LEU 14 + QD1 ILE 18 OK 22 77 - 28 - 2.1/11652=9, 11651=7...(8) QB ALA 113 + QD1 ILE 18 OK 19 70 - 27 - 10421=10, 10419/2.1=4...(8) HG LEU 14 + QD1 ILE 5 OK 13 53 - 24 - 2.1/11652=9, 11651=6...(5) HB3 LEU 114 - QD1 ILE 5 lone 6 76 - 8 - 3.0/11126=2, 11023=2 QB ALA 113 - QD1 ILE 5 lone 4 47 - 9 - 10421=2 HB3 LEU 68 - QD1 ILE 5 lone 3 62 - 4 - 3.1/9768=2 HG3 LYS 16 - QD1 ILE 18 lone 3 100 - 3 - 10777/5.0=2 HG3 LYS 106 - QD1 ILE 18 lone 1 94 - 1 - HB3 LEU 68 - QD1 ILE 18 lone 1 87 - 1 - HG3 LYS 16 - QD1 ILE 5 lone 1 77 - 1 - HG3 LYS 106 - QD1 ILE 5 lone 0 69 - 1 - HG2 LYS 40 - QD1 ILE 18 lone 0 81 - 0 - HG2 LYS 40 - QD1 ILE 5 lone 0 56 - 0 - Peak 9198 from cnoeabs.peaks (0.87, 3.68, 60.85 ppm; 3.39 A): 4 out of 10 assignments used, quality = 0.56: QG2 VAL 22 + HA LYS 19 OK 29 70 - 42 - 10859=23, 2.1/10856=8...(11) HG13 ILE 57 + HA LYS 19 OK 20 87 - 23 - 2.1/9560=7, ~4530=4...(9) QG2 VAL 107 + HA LYS 19 OK 13 100 - 13 - 11460/3.0=5, ~10897=2...(4) QG2 VAL 117 + HA LYS 19 OK 11 98 - 11 - 10520/3.0=3, 2.1/9199=2...(6) QG1 VAL 32 - HA LYS 19 lone 7 99 - 8 - 10931/3.8=2, 10783/3.0=2 QG2 THR 9 - HA LYS 19 lone 4 96 - 4 - QD1 LEU 14 - HA LYS 19 lone 3 87 - 3 - QD2 LEU 90 - HA LYS 19 lone 2 90 - 2 - QG2 VAL 104 - HA LYS 19 lone 1 84 - 2 - QD2 LEU 38 - HA LYS 19 lone 1 65 - 2 - Peak 9199 from cnoeabs.peaks (0.72, 3.68, 60.85 ppm; 3.87 A): 5 out of 11 assignments used, quality = 0.95: QG2 ILE 18 + HA LYS 19 OK 67 100 - 67 - 9191=26, ~7384=13...(14) HG13 ILE 18 + HA LYS 19 OK 56 94 - 59 - 3.2/9191=20, ~7384=10...(13) QD1 ILE 57 + HA LYS 19 OK 41 84 - 49 - 2.1/9198=9, 9560=8...(15) QD2 LEU 55 + HA LYS 19 OK 23 73 - 32 - 9504=22, 9528/3.0=4...(5) QG1 VAL 117 + HA LYS 19 OK 20 100 - 20 - 2.1/9198=5, 105/3.0=4...(7) QD2 LEU 81 - HA LYS 19 lone 6 81 - 7 - 11634/3.0=1, ~11633=1 QG2 VAL 78 - HA LYS 19 lone 3 99 - 3 - QD2 LEU 63 - HA LYS 19 lone 3 90 - 3 - QD1 LEU 6 - HA LYS 19 lone 1 99 - 1 - QD2 LEU 45 - HA LYS 19 lone 1 99 - 1 - QD2 LEU 6 - HA LYS 19 lone 1 77 - 1 - Peak 9200 from cnoeabs.peaks (0.62, 3.68, 60.85 ppm; 5.34 A): 3 out of 6 assignments used, quality = 0.89: QD1 ILE 18 + HA LYS 19 OK 72 94 - 77 - 2.9/9191=39, 108/3.0=24...(9) QG1 VAL 22 + HA LYS 19 OK 50 73 - 68 - 2.1/10859=41, 10856=20...(8) QD1 ILE 5 + HA LYS 19 OK 20 100 - 20 - 108/3.0=10, ~1131=2...(6) QG1 VAL 78 - HA LYS 19 lone 6 97 - 6 - 108/3.0=2 HG13 ILE 15 - HA LYS 19 lone 3 81 - 4 - ~10781=2 QD1 ILE 54 - HA LYS 19 lone 2 84 - 2 - Peak 9208 from cnoeabs.peaks (2.70, 4.13, 45.96 ppm; 5.60 A): 0 out of 7 assignments used, low quality = 0.00: HE3 LYS 19 - HA3 GLY 26 lone 1 100 - 1 - HE2 LYS 19 - HA3 GLY 26 lone 1 100 - 1 - HB3 ASN 33 - HA3 GLY 26 lone 1 96 - 1 - HB2 ASN 50 - HA3 GLY 26 lone 1 94 - 1 - HB3 ASN 50 - HA3 GLY 26 lone 1 92 - 1 - HE2 LYS 61 - HA3 GLY 26 lone 1 90 - 1 - HB3 ASP 110 - HA3 GLY 26 lone 1 73 - 1 - Peak 9211 from cnoeabs.peaks (7.56, 3.81, 45.96 ppm; 6.20 A): 0 out of 2 assignments used, low quality = 0.42: HE21 GLN 25 - HA2 GLY 26 OK 42 100 - 42 - 9210/3.0=41 H LEU 14 - HA2 GLY 26 lone 5 81 - 6 - 9210/3.0=3 Peak 9212 from cnoeabs.peaks (2.00, 2.66, 39.01 ppm; 4.80 A): 1 out of 6 assignments used, quality = 0.75: HB VAL 22 + HB2 TYR 27 OK 75 80 - 93 - 2.1/10860=38, 10875=29...(15) HB3 GLU 103 - HB2 TYR 27 lone 8 89 - 9 - 10213/2.5=6, 9215/1.8=3 HB2 LYS 17 - HB2 TYR 27 lone 5 99 - 5 - 10838/2.5=1, 9215/1.8=1 HG2 GLU 128 - HB2 TYR 27 lone 5 73 - 7 - 10838/2.5=2, ~10838=2, ~4571=2 HG3 GLU 128 - HB2 TYR 27 lone 5 73 - 7 - 10838/2.5=2, ~10838=2, ~4571=2 HB2 LYS 40 - HB2 TYR 27 lone 2 95 - 2 - Peak 9213 from cnoeabs.peaks (0.85, 2.66, 39.01 ppm; 4.65 A): 3 out of 9 assignments used, quality = 0.98: QG2 VAL 22 + HB2 TYR 27 OK 90 97 - 93 - 10860=41, 2.1/10875=28...(15) HG13 ILE 5 + HB2 TYR 27 OK 60 100 - 60 - ~9054=10, 4586/2.5=9...(12) QG2 ILE 5 + HB2 TYR 27 OK 58 98 - 60 - 9049/2.5=16, 9180=8...(12) QG2 ILE 15 - HB2 TYR 27 OK 25 100 - 24 - 9049/2.5=5, 3.2/9214=4...(9) QG2 ILE 57 - HB2 TYR 27 OK 23 97 - 23 - 9564=8, 9216/1.8=3...(9) HG13 ILE 57 - HB2 TYR 27 OK 17 87 - 20 - 3.2/9564=7, 4586/2.5=3...(8) QG2 VAL 117 - HB2 TYR 27 OK 17 65 - 26 - ~10531=8, ~4587=6...(6) QD1 LEU 14 - HB2 TYR 27 lone 3 87 - 4 - QG2 THR 9 - HB2 TYR 27 lone 2 73 - 2 - Peak 9214 from cnoeabs.peaks (0.65, 2.66, 39.01 ppm; 5.04 A): 4 out of 6 assignments used, quality = 0.91: QG1 VAL 22 + HB2 TYR 27 OK 82 87 - 94 - 2.1/10860=40...(14) QD1 ILE 54 + HB2 TYR 27 OK 21 77 - 27 - 9237/4.2=10, 10839/2.5=6...(5) HG13 ILE 15 + HB2 TYR 27 OK 19 80 - 23 - 10839/2.5=4, 9217/1.8=4...(9) QD1 LEU 4 + HB2 TYR 27 OK 19 95 - 20 - 10732=6, 10839/2.5=3...(7) QD1 ILE 71 - HB2 TYR 27 lone 4 99 - 4 - 9781/1.8=1 QD1 ILE 56 - HB2 TYR 27 lone 2 89 - 2 - Peak 9215 from cnoeabs.peaks (1.99, 2.37, 39.01 ppm; 4.78 A): 2 out of 7 assignments used, quality = 0.92: HB VAL 22 + HB3 TYR 27 OK 91 100 - 91 - 10875/1.8=31, ~10860=28...(15) HB3 GLU 103 + HB3 TYR 27 OK 10 100 - 10 - 10213/2.5=6, 9212/1.8=3 HB2 LYS 17 - HB3 TYR 27 lone 4 98 - 4 - 9212/1.8=2 HB2 LYS 40 - HB3 TYR 27 lone 2 100 - 2 - HB3 LYS 96 - HB3 TYR 27 lone 2 73 - 2 - 7797/3.9=1 HB3 ARG 95 - HB3 TYR 27 lone 1 69 - 1 - HB3 GLU 21 - HB3 TYR 27 lone 1 80 - 1 - Peak 9216 from cnoeabs.peaks (0.85, 2.37, 39.01 ppm; 4.79 A): 3 out of 9 assignments used, quality = 0.99: QG2 VAL 22 + HB3 TYR 27 OK 92 97 - 95 - 10860/1.8=38...(16) HG13 ILE 5 + HB3 TYR 27 OK 63 100 - 63 - ~9054=10, 4586/2.5=10...(12) QG2 ILE 5 + HB3 TYR 27 OK 60 98 - 61 - 9049/2.5=16, 9180/1.8=13...(11) QG2 ILE 15 - HB3 TYR 27 OK 24 100 - 24 - 9049/2.5=5, 9180/1.8=5...(8) QG2 ILE 57 - HB3 TYR 27 OK 22 97 - 23 - 9564/1.8=10, 4596/4.4=3...(8) HG13 ILE 57 - HB3 TYR 27 OK 18 87 - 21 - ~9564=7, 4586/2.5=3...(8) QG2 VAL 117 - HB3 TYR 27 OK 18 65 - 27 - ~10531=8, 10530/2.5=6...(6) QD1 LEU 14 - HB3 TYR 27 lone 4 87 - 5 - QG2 THR 9 - HB3 TYR 27 lone 2 73 - 3 - Peak 9217 from cnoeabs.peaks (0.64, 2.37, 39.01 ppm; 5.11 A): 2 out of 6 assignments used, quality = 0.99: QG1 VAL 22 + HB3 TYR 27 OK 97 100 - 97 - 10858/1.8=35...(18) QD1 ILE 5 + HB3 TYR 27 OK 53 77 - 69 - 9056/4.4=14, 4588/2.5=14...(13) QD1 ILE 54 - HB3 TYR 27 OK 35 99 - 35 - 9237/4.2=11, 4588/2.5=7...(7) HG13 ILE 15 - HB3 TYR 27 OK 28 100 - 28 - 4588/2.5=5, 9214/1.8=4...(10) QD1 LEU 4 - HB3 TYR 27 OK 20 100 - 20 - 10732/1.8=6, 9237/4.2=4...(7) QD1 ILE 71 - HB3 TYR 27 lone 4 77 - 5 - 9214/1.8=1 Peak 9221 from cnoeabs.peaks (2.02, 6.59, 117.91 ppm; 5.37 A): 3 out of 5 assignments used, quality = 0.90: HB2 GLN 25 + QE TYR 27 OK 88 95 - 92 - 1.8/4579=44, 4571/2.2=44...(6) HG2 GLU 128 + QE TYR 27 OK 10 91 - 11 - 10655/4595=3, ~10838=3...(4) HG3 GLU 128 + QE TYR 27 OK 10 91 - 11 - 10655/4595=3, ~10838=3...(4) HB2 MET 1 - QE TYR 27 lone 4 84 - 5 - 10655/4595=3 HB3 GLU 111 - QE TYR 27 lone 2 94 - 2 - Peak 9222 from cnoeabs.peaks (1.81, 6.59, 117.91 ppm; 4.50 A): 4 out of 11 assignments used, quality = 0.94: HG12 ILE 5 + QE TYR 27 OK 75 95 - 79 - 9052=29, 2.1/9229=26...(13) HB ILE 3 + QE TYR 27 OK 66 95 - 70 - 2.1/9017=39, 3.2/4595=24...(7) HB ILE 18 + QE TYR 27 OK 20 72 - 27 - 3.2/9229=11, 4582/2.2=4...(6) HB ILE 57 + QE TYR 27 OK 14 65 - 21 - 2.1/4596=4, 4582/2.2=4...(8) HB ILE 97 - QE TYR 27 lone 5 95 - 5 - 4582/2.2=1 HB2 LEU 14 - QE TYR 27 lone 4 65 - 6 - 1.8/4592=2 HG2 ARG 105 - QE TYR 27 lone 4 95 - 4 - HB3 ARG 105 - QE TYR 27 lone 3 86 - 4 - HB2 LYS 19 - QE TYR 27 lone 2 54 - 4 - ~4584=2 HB2 ARG 118 - QE TYR 27 lone 2 88 - 2 - HB2 LEU 64 - QE TYR 27 lone 1 58 - 1 - Peak 9223 from cnoeabs.peaks (1.47, 6.59, 117.91 ppm; 6.06 A): 3 out of 14 assignments used, quality = 0.92: HD2 LYS 53 + QE TYR 27 OK 88 91 - 96 - 9475=43, 3.7/4719=38...(8) HG12 ILE 57 + QE TYR 27 OK 25 72 - 35 - 2.1/9228=8...(9) HG12 ILE 7 + QE TYR 27 OK 13 69 - 19 - ~9083=9, 1.8/4593=3...(5) HB3 LEU 38 - QE TYR 27 lone 3 76 - 4 - 3.1/4595=2 HB3 LEU 6 - QE TYR 27 lone 3 65 - 5 - 3.1/9228=1 HB3 LEU 45 - QE TYR 27 lone 3 79 - 4 - HG2 LYS 39 - QE TYR 27 lone 3 62 - 4 - HG3 LYS 20 - QE TYR 27 lone 2 95 - 2 - HG3 ARG 118 - QE TYR 27 lone 2 86 - 2 - HG3 LYS 73 - QE TYR 27 lone 2 94 - 2 - HB2 LEU 74 - QE TYR 27 lone 2 88 - 2 - HG2 LYS 106 - QE TYR 27 lone 2 72 - 2 - HG2 LYS 49 - QE TYR 27 lone 1 65 - 2 - HG3 LYS 49 - QE TYR 27 lone 1 65 - 2 - Peak 9224 from cnoeabs.peaks (1.27, 6.59, 117.91 ppm; 5.51 A): 1 out of 5 assignments used, quality = 0.87: HD3 LYS 53 + QE TYR 27 OK 87 94 - 93 - 9479=35, 3.7/4719=33...(11) HD2 LYS 2 - QE TYR 27 poor 9 81 - 10 - 1.8/4595=3, 9479=3, 2.9/9225=1 HG13 ILE 7 - QE TYR 27 poor 7 54 - 14 - ~9083=7, 1.8/9223=3, ~4587=1 HG3 LYS 61 - QE TYR 27 lone 2 69 - 3 - HB3 LEU 80 - QE TYR 27 lone 1 65 - 2 - Peak 9225 from cnoeabs.peaks (1.08, 6.59, 117.91 ppm; 4.49 A): 2 out of 5 assignments used, quality = 0.95: HG2 LYS 53 + QE TYR 27 OK 78 91 - 86 - 2.8/4719=26, 3.0/4592=21...(11) QG2 ILE 3 + QE TYR 27 OK 76 94 - 81 - 9017=48, 9020/2.2=26...(11) HG2 LYS 2 - QE TYR 27 lone 5 76 - 6 - 2.9/4595=2, 2.9/9224=2 HG2 LYS 19 - QE TYR 27 lone 2 62 - 4 - 4584/2.2=2 HD3 LYS 61 - QE TYR 27 lone 1 69 - 2 - Peak 9226 from cnoeabs.peaks (0.94, 6.59, 117.91 ppm; 5.58 A): 1 out of 5 assignments used, quality = 0.89: HG3 LYS 53 + QE TYR 27 OK 89 94 - 96 - 2.8/4719=38, ~4584=35...(11) QG1 VAL 104 - QE TYR 27 poor 9 84 - 11 - 4585/2.2=3, 10232/4.4=3 HG13 ILE 97 - QE TYR 27 lone 4 72 - 6 - 4585/2.2=2, 2.9/9222=1 QD2 LEU 127 - QE TYR 27 lone 3 88 - 4 - 3.1/4590=1 HG13 ILE 56 - QE TYR 27 lone 1 54 - 2 - Peak 9227 from cnoeabs.peaks (0.85, 6.59, 117.91 ppm; 5.12 A): 3 out of 9 assignments used, quality = 0.98: HG13 ILE 5 + QE TYR 27 OK 78 95 - 82 - 1.8/9052=37, 2.1/9229=30...(14) QG2 ILE 5 + QE TYR 27 OK 72 91 - 79 - 3.2/9052=30, 3.0/9229=27...(14) QG2 VAL 22 + QE TYR 27 OK 71 90 - 79 - 10860/4.4=27...(11) QG2 ILE 57 - QE TYR 27 OK 30 90 - 34 - 9564/4.4=8, 3.0/9228=5...(11) QG2 VAL 117 - QE TYR 27 OK 30 58 - 52 - 2.1/4589=20, ~10531=10...(12) QG2 ILE 15 - QE TYR 27 OK 27 95 - 28 - 2.1/4590=6, 9049/2.2=5...(9) HG13 ILE 57 - QE TYR 27 OK 22 79 - 28 - 2.1/9228=5, 1.8/9223=5...(10) QD1 LEU 14 - QE TYR 27 poor 9 79 - 11 - 11652/9056=3, 3.1/4592=2...(4) QG2 THR 9 - QE TYR 27 lone 4 65 - 6 - 10975/9052=1 Peak 9228 from cnoeabs.peaks (0.71, 6.59, 117.91 ppm; 6.20 A): 4 out of 10 assignments used, quality = 0.83: QG1 VAL 117 + QE TYR 27 OK 48 81 - 59 - 2.1/4589=21...(10) QG2 ILE 18 + QE TYR 27 OK 37 88 - 42 - 2.9/9229=16, ~4587=5...(11) QD1 ILE 57 + QE TYR 27 OK 35 94 - 37 - 2.1/9223=7...(10) HG13 ILE 18 + QE TYR 27 OK 21 54 - 39 - 2.1/9229=16, 4587/2.2=5...(9) QD2 LEU 81 - QE TYR 27 poor 10 94 - 11 - ~11295=2, 3.1/10837=2 QD1 LEU 6 - QE TYR 27 lone 7 93 - 8 - QG2 VAL 78 - QE TYR 27 lone 5 69 - 7 - 2.1/9229=2 QD2 LEU 63 - QE TYR 27 lone 4 95 - 4 - QD2 LEU 45 - QE TYR 27 lone 3 69 - 4 - QG2 ILE 56 - QE TYR 27 lone 3 65 - 4 - Peak 9229 from cnoeabs.peaks (0.61, 6.59, 117.91 ppm; 4.06 A): 2 out of 3 assignments used, quality = 0.50: QD1 ILE 5 + QE TYR 27 OK 38 62 - 61 - 2.1/9052=21, 9056=14...(11) QD1 ILE 18 + QE TYR 27 OK 20 91 - 22 - 9056=4, ~4587=3...(9) QG1 VAL 78 - QE TYR 27 lone 3 88 - 3 - Peak 9233 from cnoeabs.peaks (4.85, 1.78, 30.45 ppm; 5.64 A): 2 out of 3 assignments used, quality = 0.65: HA ILE 54 + HB3 GLN 28 OK 58 100 - 58 - 9232/4.0=33...(3) HA ILE 5 + HB3 GLN 28 OK 17 81 - 20 - 9232/4.0=8, 4.2/11481=7...(5) HA ASP 60 - HB3 GLN 28 lone 1 73 - 1 - Peak 9239 from cnoeabs.peaks (0.79, 4.50, 54.38 ppm; 4.86 A): 1 out of 7 assignments used, quality = 0.65: QG1 VAL 29 + HA GLN 28 OK 65 97 - 67 - 4.0/158=40, 3.2/10675=33...(4) QD1 LEU 114 - HA GLN 28 lone 4 87 - 5 - 1190/3.6=2, ~11629=1 QD2 LEU 80 - HA GLN 28 lone 3 70 - 4 - QD1 LEU 80 - HA GLN 28 lone 3 65 - 4 - 11092/9240=2 QD2 LEU 64 - HA GLN 28 lone 2 92 - 2 - QD1 LEU 81 - HA GLN 28 lone 2 99 - 2 - QD1 LEU 82 - HA GLN 28 lone 1 77 - 2 - Peak 9240 from cnoeabs.peaks (0.87, 4.50, 54.38 ppm; 4.55 A): 2 out of 9 assignments used, quality = 0.46: QG1 VAL 32 + HA GLN 28 OK 32 97 - 33 - 9299/3.8=19, 9235/3.0=6...(6) QG2 VAL 104 + HA GLN 28 OK 20 92 - 22 - 10243=7, 2.1/10242=5...(6) QG2 VAL 107 - HA GLN 28 lone 8 98 - 8 - 11460/3.0=3, 9235/3.0=2 QD2 LEU 90 - HA GLN 28 lone 7 96 - 7 - 11099=2, 9235/3.0=1 QG2 VAL 117 - HA GLN 28 lone 5 94 - 5 - 9235/3.0=2, 10520/3.0=1 QD2 LEU 38 - HA GLN 28 lone 2 77 - 3 - 1189/3.6=1, 9235/3.0=1 QG2 THR 9 - HA GLN 28 lone 2 90 - 2 - QD1 LEU 14 - HA GLN 28 lone 1 77 - 1 - HG13 ILE 57 - HA GLN 28 lone 1 77 - 1 - Peak 9245 from cnoeabs.peaks (2.71, 0.80, 21.46 ppm; 3.79 A): 2 out of 6 assignments used, quality = 0.79: HE3 LYS 19 + QG1 VAL 29 OK 55 96 - 57 - 4.0/10926=20, 6.3/9249=9...(10) HE2 LYS 19 + QG1 VAL 29 OK 55 96 - 57 - 4.0/10926=20, 6.3/9249=9...(10) HB2 ASN 50 - QG1 VAL 29 lone 1 100 - 1 - HB3 ASN 50 - QG1 VAL 29 lone 1 100 - 1 - HE3 LYS 53 - QG1 VAL 29 lone 1 92 - 1 - HB3 ASN 33 - QG1 VAL 29 lone 0 65 - 1 - Peak 9246 from cnoeabs.peaks (2.70, 0.90, 21.87 ppm; 6.10 A): 2 out of 14 assignments used, quality = 0.95: HE3 LYS 19 + QG2 VAL 29 OK 78 100 - 78 - 6.3/9247=30, ~9245=23...(9) HE2 LYS 19 + QG2 VAL 29 OK 78 100 - 78 - 6.3/9247=30, ~9245=23...(9) HE3 LYS 19 - QG2 VAL 104 lone 3 63 - 5 - 5.0/11031=1 HE2 LYS 19 - QG2 VAL 104 lone 3 63 - 5 - 5.0/11031=1 HE2 LYS 61 - QG2 VAL 29 lone 3 90 - 3 - HB2 ASN 50 - QG2 VAL 29 lone 2 94 - 3 - HB3 ASN 50 - QG2 VAL 29 lone 2 92 - 3 - HB3 ASN 33 - QG2 VAL 29 lone 2 96 - 2 - HB3 ASP 110 - QG2 VAL 29 lone 2 73 - 2 - HB3 ASP 110 - QG2 VAL 104 lone 2 40 - 4 - HB2 ASN 50 - QG2 VAL 104 lone 1 55 - 2 - HB3 ASN 33 - QG2 VAL 104 lone 1 57 - 2 - HB3 ASN 50 - QG2 VAL 104 lone 1 53 - 2 - HE2 LYS 61 - QG2 VAL 104 lone 1 51 - 2 - Peak 9247 from cnoeabs.peaks (3.67, 0.90, 21.87 ppm; 3.87 A): 1 out of 2 assignments used, quality = 0.52: HA LYS 19 + QG2 VAL 29 OK 52 92 - 57 - 9249/2.1=21...(11) HA LYS 19 - QG2 VAL 104 lone 2 53 - 3 - Peak 9249 from cnoeabs.peaks (3.67, 0.80, 21.46 ppm; 5.13 A): 1 out of 1 assignment used, quality = 0.91: HA LYS 19 + QG1 VAL 29 OK 91 97 - 94 - 9247/2.1=47...(13) Peak 9251 from cnoeabs.peaks (5.04, 1.65, 32.39 ppm; 6.19 A): 2 out of 2 assignments used, quality = 0.89: HA VAL 29 + HB2 ARG 30 OK 67 100 - 67 - 7431/4.0=48, 9252/1.8=21...(4) HA ILE 56 + HB2 ARG 30 OK 66 81 - 82 - 10680/4.0=33...(8) Peak 9252 from cnoeabs.peaks (5.04, 1.51, 32.39 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.88: HA VAL 29 + HB3 ARG 30 OK 67 100 - 67 - 7431/4.0=48, 9251/1.8=21 HA ILE 56 + HB3 ARG 30 OK 64 81 - 80 - 10680/4.0=33...(7) Peak 9253 from cnoeabs.peaks (5.05, 1.45, 26.70 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.87: HA ILE 56 + HG3 ARG 30 OK 66 96 - 69 - 10680/4.9=37...(7) HA VAL 29 + HG3 ARG 30 OK 62 98 - 63 - 7431/4.9=42, 9252/2.8=18 Peak 9256 from cnoeabs.peaks (0.94, 1.51, 32.39 ppm; 6.20 A): 1 out of 6 assignments used, quality = 0.59: HG13 ILE 56 + HB3 ARG 30 OK 59 73 - 81 - 9258/1.8=36, 2.1/9257=25...(7) HG13 ILE 97 - HB3 ARG 30 poor 7 70 - 10 - 3.2/9257=3, ~10128=2...(5) QG1 VAL 104 - HB3 ARG 30 lone 4 84 - 5 - 9258/1.8=1 HG3 LYS 53 - HB3 ARG 30 lone 3 97 - 3 - 9258/1.8=1 QD2 LEU 127 - HB3 ARG 30 lone 3 90 - 3 - 9258/1.8=1 HD3 LYS 2 - HB3 ARG 30 lone 2 65 - 3 - 9258/1.8=1 Peak 9257 from cnoeabs.peaks (0.67, 1.51, 32.39 ppm; 4.83 A): 4 out of 7 assignments used, quality = 0.86: QD1 ILE 56 + HB3 ARG 30 OK 75 92 - 82 - 11360/4.0=25...(11) QD2 LEU 4 + HB3 ARG 30 OK 25 97 - 26 - 11554/3.0=13, 9259/1.8=5...(4) QD2 LEU 114 + HB3 ARG 30 OK 15 100 - 14 - 11514=4, 9259/1.8=3...(5) QD1 ILE 71 + HB3 ARG 30 OK 14 70 - 20 - 10927/2.8=5, 9259/1.8=5...(5) QG2 ILE 97 - HB3 ARG 30 lone 8 90 - 9 - 3.2/9256=2, 9259/1.8=2...(4) QD1 LEU 55 - HB3 ARG 30 lone 7 84 - 9 - 11554/3.0=2, ~11136=2...(4) QD1 ILE 116 - HB3 ARG 30 lone 4 94 - 4 - 10501/3.6=1 Peak 9258 from cnoeabs.peaks (0.95, 1.65, 32.39 ppm; 5.94 A): 1 out of 6 assignments used, quality = 0.75: HG13 ILE 56 + HB2 ARG 30 OK 75 92 - 81 - 9256/1.8=28, 2.1/9259=25...(9) HG3 LYS 53 - HB2 ARG 30 lone 3 84 - 4 - 9256/1.8=2 QG1 VAL 104 - HB2 ARG 30 lone 3 61 - 5 - 9256/1.8=2 HD3 LYS 2 - HB2 ARG 30 lone 3 87 - 3 - 9256/1.8=1 QD1 LEU 38 - HB2 ARG 30 lone 3 81 - 3 - QD2 LEU 127 - HB2 ARG 30 lone 2 70 - 3 - 9256/1.8=1 Peak 9259 from cnoeabs.peaks (0.67, 1.65, 32.39 ppm; 4.99 A): 4 out of 7 assignments used, quality = 0.91: QD1 ILE 56 + HB2 ARG 30 OK 83 99 - 84 - 11360/4.0=29...(11) QD2 LEU 4 + HB2 ARG 30 OK 23 87 - 26 - 11554/3.0=12, 9257/1.8=7...(4) QD1 ILE 71 + HB2 ARG 30 OK 19 87 - 22 - 10927/2.8=6, 9777/2.8=5...(5) QD2 LEU 114 + HB2 ARG 30 OK 13 99 - 13 - 11514/1.8=4, 10927/2.8=3...(4) QG2 ILE 97 - HB2 ARG 30 lone 7 73 - 9 - 9257/1.8=2, ~9256=2...(4) QD1 LEU 55 - HB2 ARG 30 lone 7 65 - 10 - 11554/3.0=2, 9257/1.8=2...(5) QD1 ILE 116 - HB2 ARG 30 lone 4 81 - 4 - 9257/1.8=1, 10501/3.6=1 Peak 9260 from cnoeabs.peaks (0.76, 1.65, 32.39 ppm; 5.37 A): 2 out of 11 assignments used, quality = 0.64: QG2 ILE 54 + HB2 ARG 30 OK 55 87 - 63 - 9498/3.6=21, 9488/3.0=14...(13) QG2 VAL 32 + HB2 ARG 30 OK 20 99 - 20 - 9273/4.6=15, 9303/2.8=3 QD1 LEU 63 - HB2 ARG 30 lone 5 70 - 7 - 11707/9259=2, 11705/9258=2 QD1 ILE 7 - HB2 ARG 30 lone 4 94 - 5 - 9273/4.6=3 QD2 LEU 14 - HB2 ARG 30 lone 4 99 - 4 - 2.1/11519=2, 9273/4.6=1 QD1 ILE 15 - HB2 ARG 30 lone 4 98 - 4 - 9171/4.6=2 QD1 LEU 45 - HB2 ARG 30 lone 4 99 - 4 - 9273/4.6=1 QG1 VAL 107 - HB2 ARG 30 lone 4 99 - 4 - QG2 ILE 7 - HB2 ARG 30 lone 2 81 - 3 - QD1 LEU 80 - HB2 ARG 30 lone 2 70 - 3 - QD2 LEU 80 - HB2 ARG 30 lone 2 65 - 2 - Peak 9261 from cnoeabs.peaks (0.73, 3.33, 42.86 ppm; 4.63 A): 2 out of 11 assignments used, quality = 0.47: QG2 ILE 54 + HD2 ARG 30 OK 38 77 - 49 - 9263/1.8=23, ~9264=14...(7) QD2 LEU 6 + HD2 ARG 30 OK 15 99 - 15 - 9263/1.8=7, 11611/3.6=4...(5) QD1 LEU 6 - HD2 ARG 30 lone 7 73 - 9 - ~9263=5, ~2468=1...(4) QD2 LEU 55 - HD2 ARG 30 lone 6 99 - 6 - 9263/1.8=3, 11136/3.0=2 QD1 LEU 63 - HD2 ARG 30 lone 5 92 - 6 - 9263/1.8=3, 11611/3.6=1 QG2 VAL 78 - HD2 ARG 30 lone 3 98 - 3 - 9263/1.8=1 HG13 ILE 18 - HD2 ARG 30 lone 3 100 - 3 - 9263/1.8=1 QD2 LEU 45 - HD2 ARG 30 lone 2 98 - 2 - QG1 VAL 117 - HD2 ARG 30 lone 2 92 - 2 - QG2 ILE 18 - HD2 ARG 30 lone 2 84 - 2 - QG2 ILE 7 - HD2 ARG 30 lone 1 84 - 2 - Peak 9262 from cnoeabs.peaks (0.66, 3.33, 42.86 ppm; 5.91 A): 2 out of 6 assignments used, quality = 0.75: QD1 ILE 56 + HD2 ARG 30 OK 67 98 - 69 - 11360/6.3=25...(6) QD1 ILE 71 + HD2 ARG 30 OK 25 100 - 25 - 10927/3.0=7, 9777/3.0=6...(6) QD2 LEU 114 - HD2 ARG 30 poor 8 77 - 10 - 10927/3.0=3, 11514/3.6=3 QD1 LEU 4 - HD2 ARG 30 lone 7 84 - 9 - ~10927=4, 9264/1.8=2 QG1 VAL 22 - HD2 ARG 30 lone 2 70 - 3 - HG13 ILE 15 - HD2 ARG 30 lone 1 61 - 2 - Peak 9263 from cnoeabs.peaks (0.74, 2.93, 42.86 ppm; 4.38 A): 2 out of 11 assignments used, quality = 0.63: QG2 ILE 54 + HD3 ARG 30 OK 56 92 - 61 - 9498=24, 3.1/9264=17...(9) QD2 LEU 6 + HD3 ARG 30 OK 16 100 - 16 - 9261/1.8=6, 11611/3.6=3...(6) QD2 LEU 55 - HD3 ARG 30 lone 7 100 - 7 - 9261/1.8=3, 11136/3.0=2 QD1 LEU 63 - HD3 ARG 30 lone 6 99 - 6 - 9261/1.8=2, 11611/3.6=1 QG2 VAL 78 - HD3 ARG 30 lone 3 90 - 3 - 9261/1.8=1 HG13 ILE 18 - HD3 ARG 30 lone 3 97 - 3 - 9261/1.8=1 QD2 LEU 45 - HD3 ARG 30 lone 2 90 - 2 - 9261/1.8=1 QG2 ILE 7 - HD3 ARG 30 lone 2 96 - 2 - QG1 VAL 117 - HD3 ARG 30 lone 1 77 - 2 - QD1 LEU 45 - HD3 ARG 30 lone 1 65 - 2 - QG2 ILE 18 - HD3 ARG 30 lone 1 65 - 2 - Peak 9264 from cnoeabs.peaks (0.64, 2.93, 42.86 ppm; 5.06 A): 1 out of 6 assignments used, quality = 0.55: QD1 ILE 54 + HD3 ARG 30 OK 55 100 - 55 - 3.1/9498=24...(9) QD1 LEU 4 - HD3 ARG 30 lone 9 99 - 9 - 4389/9498=4, ~10927=3 QD1 ILE 71 - HD3 ARG 30 poor 8 73 - 11 - 9777/3.0=4, 9262/1.8=3, ~9789=2 QD1 ILE 5 - HD3 ARG 30 lone 4 81 - 5 - 4389/9498=1 QG1 VAL 22 - HD3 ARG 30 lone 2 100 - 2 - HG13 ILE 15 - HD3 ARG 30 lone 2 100 - 2 - Peak 9265 from cnoeabs.peaks (7.93, 2.47, 42.72 ppm; 5.38 A): 2 out of 12 assignments used, quality = 0.90: HD21 ASN 33 + HB2 ASP 31 OK 69 99 - 70 - 9314/1.8=24, 1.7/9266=22...(6) HD21 ASN 33 + HB3 ASP 31 OK 69 99 - 70 - 9314/1.8=23, 1.7/9266=22...(6) H GLU 119 - HB2 ASP 31 lone 4 77 - 5 - H GLU 119 - HB3 ASP 31 lone 4 77 - 5 - H GLU 91 - HB3 ASP 31 lone 1 97 - 1 - H GLU 91 - HB2 ASP 31 lone 1 97 - 1 - H GLY 75 - HB3 ASP 31 lone 1 96 - 1 - H GLY 75 - HB2 ASP 31 lone 1 95 - 1 - H GLY 101 - HB3 ASP 31 lone 1 87 - 1 - H GLY 101 - HB2 ASP 31 lone 1 87 - 1 - H GLY 125 - HB3 ASP 31 lone 1 73 - 1 - H GLY 125 - HB2 ASP 31 lone 1 73 - 1 - Peak 9266 from cnoeabs.peaks (7.02, 2.47, 42.72 ppm; 4.81 A): 2 out of 8 assignments used, quality = 0.88: HD22 ASN 33 + HB2 ASP 31 OK 65 100 - 65 - 9315/1.8=23, 9315=20...(6) HD22 ASN 33 + HB3 ASP 31 OK 64 100 - 65 - 9315/1.8=22, 9315=21...(6) HZ PHE 120 - HB2 ASP 31 lone 1 100 - 1 - HZ PHE 120 - HB3 ASP 31 lone 1 100 - 1 - HD22 ASN 88 - HB3 ASP 31 lone 1 97 - 1 - HD22 ASN 88 - HB2 ASP 31 lone 1 97 - 1 - HE22 GLN 28 - HB3 ASP 31 lone 1 96 - 1 - HE22 GLN 28 - HB2 ASP 31 lone 1 95 - 1 - Peak 9267 from cnoeabs.peaks (1.82, 2.47, 42.72 ppm; 5.98 A): 2 out of 22 assignments used, quality = 0.99: HB ILE 57 + HB2 ASP 31 OK 92 100 - 92 - 9569/3.0=45, ~9573=25...(12) HB ILE 57 + HB3 ASP 31 OK 92 100 - 92 - 9569/3.0=45, ~9573=25...(12) HB ILE 18 - HB2 ASP 31 OK 23 100 - 23 - 2.9/9269=6, 2.1/9269=5...(5) HB ILE 18 - HB3 ASP 31 OK 23 100 - 23 - 2.9/9269=6, 2.1/9269=5...(5) HB3 LYS 19 - HB2 ASP 31 OK 11 87 - 13 - 10790/4.5=7, 9270/3.0=5 HB3 LYS 19 - HB3 ASP 31 OK 11 87 - 13 - 10790/4.5=7, 9270/3.0=5 QE MET 121 - HB2 ASP 31 lone 9 96 - 9 - 9270/3.0=4, 10790/4.5=2 QE MET 121 - HB3 ASP 31 lone 9 95 - 9 - 9270/3.0=4, 10790/4.5=2 HB ILE 97 - HB3 ASP 31 lone 7 80 - 9 - ~10149=2, 2.1/10117=2...(4) HB ILE 97 - HB2 ASP 31 lone 7 81 - 8 - ~10149=2, 2.1/10117=2, ~10117=2 HB3 ARG 105 - HB3 ASP 31 lone 3 98 - 3 - HB2 LEU 14 - HB2 ASP 31 lone 3 100 - 3 - HB2 LEU 14 - HB3 ASP 31 lone 3 100 - 3 - HB3 ARG 105 - HB2 ASP 31 lone 3 98 - 3 - HG12 ILE 5 - HB2 ASP 31 lone 3 77 - 3 - HG12 ILE 5 - HB3 ASP 31 lone 3 77 - 3 - HG2 ARG 105 - HB2 ASP 31 lone 2 70 - 3 - HB3 LYS 77 - HB2 ASP 31 lone 2 61 - 3 - HG2 ARG 105 - HB3 ASP 31 lone 2 69 - 3 - HB3 LYS 77 - HB3 ASP 31 lone 2 61 - 3 - HB ILE 3 - HB2 ASP 31 lone 1 73 - 2 - HB ILE 3 - HB3 ASP 31 lone 1 73 - 2 - Peak 9268 from cnoeabs.peaks (0.85, 2.47, 42.72 ppm; 5.74 A): 4 out of 22 assignments used, quality = 1.00: QG2 ILE 57 + HB2 ASP 31 OK 81 92 - 89 - ~9569=32, 9567/3.0=27...(11) QG2 ILE 57 + HB3 ASP 31 OK 81 92 - 89 - ~9569=32, 9567/3.0=27...(11) HG13 ILE 57 + HB2 ASP 31 OK 81 94 - 86 - ~9573=28, ~9569=27...(11) HG13 ILE 57 + HB3 ASP 31 OK 81 94 - 86 - ~9573=28, ~9569=27...(11) QG1 VAL 32 - HB2 ASP 31 OK 35 70 - 51 - ~11682=28, 4.0/181=21 QG1 VAL 32 - HB3 ASP 31 OK 35 69 - 51 - ~11682=28, 4.0/181=21 QG2 THR 9 - HB2 ASP 31 lone 5 84 - 5 - QG2 THR 9 - HB3 ASP 31 lone 5 84 - 5 - QG2 VAL 117 - HB2 ASP 31 lone 4 77 - 6 - 2.1/9269=1, ~9269=1 QG2 VAL 117 - HB3 ASP 31 lone 4 77 - 6 - 2.1/9269=1, ~9269=1 QD1 LEU 14 - HB2 ASP 31 lone 3 94 - 4 - QD1 LEU 14 - HB3 ASP 31 lone 3 94 - 4 - QG2 VAL 22 - HB2 ASP 31 lone 3 99 - 3 - QG2 VAL 22 - HB3 ASP 31 lone 3 99 - 3 - HG13 ILE 5 - HB2 ASP 31 lone 3 99 - 3 - HG13 ILE 5 - HB3 ASP 31 lone 3 99 - 3 - QG2 ILE 5 - HB2 ASP 31 lone 3 94 - 3 - QG2 ILE 5 - HB3 ASP 31 lone 3 94 - 3 - QG2 ILE 15 - HB2 ASP 31 lone 2 100 - 2 - QG2 ILE 15 - HB3 ASP 31 lone 2 100 - 2 - QG2 VAL 107 - HB2 ASP 31 lone 2 65 - 3 - 1206/4.5=1 QG2 VAL 107 - HB3 ASP 31 lone 2 65 - 3 - 1206/4.5=1 Peak 9269 from cnoeabs.peaks (0.73, 2.47, 42.72 ppm; 5.64 A): 0 out of 22 assignments used, low quality = 0.22: HG13 ILE 18 - HB2 ASP 31 OK 12 100 - 12 - ~9270=3, ~10789=3...(4) HG13 ILE 18 - HB3 ASP 31 OK 12 100 - 12 - ~9270=3, ~10789=3...(4) QG2 ILE 18 - HB2 ASP 31 poor 10 84 - 12 - ~9270=4, 2.1/9267=3...(4) QG2 ILE 18 - HB3 ASP 31 poor 10 84 - 12 - ~9270=4, 2.1/9267=3...(4) QD2 LEU 55 - HB2 ASP 31 lone 4 99 - 4 - 11487/9554=1 QD2 LEU 55 - HB3 ASP 31 lone 4 99 - 4 - 11487/9554=1 QG1 VAL 117 - HB2 ASP 31 lone 3 92 - 3 - QG1 VAL 117 - HB3 ASP 31 lone 3 92 - 3 - QD1 LEU 63 - HB2 ASP 31 lone 3 92 - 3 - ~10789=1 QD1 LEU 63 - HB3 ASP 31 lone 3 92 - 3 - ~10789=1 QD2 LEU 6 - HB2 ASP 31 lone 2 99 - 2 - QD2 LEU 6 - HB3 ASP 31 lone 2 99 - 2 - QG2 VAL 78 - HB2 ASP 31 lone 2 98 - 2 - QG2 VAL 78 - HB3 ASP 31 lone 2 98 - 2 - QD2 LEU 45 - HB2 ASP 31 lone 2 98 - 2 - QD2 LEU 45 - HB3 ASP 31 lone 2 98 - 2 - QD1 LEU 6 - HB2 ASP 31 lone 2 73 - 2 - QG2 ILE 7 - HB2 ASP 31 lone 2 84 - 2 - QG2 ILE 7 - HB3 ASP 31 lone 2 84 - 2 - QD1 LEU 6 - HB3 ASP 31 lone 2 73 - 2 - QG2 ILE 54 - HB2 ASP 31 lone 1 77 - 1 - QG2 ILE 54 - HB3 ASP 31 lone 1 77 - 1 - Peak 9270 from cnoeabs.peaks (1.83, 5.21, 53.37 ppm; 4.07 A): 3 out of 11 assignments used, quality = 0.86: * HB ILE 57 + HA ASP 31 OK 81 100 - 81 - 9569=43, 4.0/9570=26...(10) HB ILE 18 + HA ASP 31 OK 13 99 - 14 - 4.5/10683=4, 2.1/10789=3...(7) HB3 LYS 19 + HA ASP 31 OK 12 96 - 13 - 10790/3.6=6, 4.0/10683=4 QE MET 121 - HA ASP 31 lone 9 99 - 10 - 10601/9573=3...(4) HB ILE 97 - HA ASP 31 lone 2 65 - 3 - 2.1/10149=1 HB2 LEU 14 - HA ASP 31 lone 2 100 - 2 - HG12 ILE 5 - HA ASP 31 lone 2 61 - 2 - ~172=1 HB3 ARG 105 - HA ASP 31 lone 1 92 - 1 - HB3 LYS 77 - HA ASP 31 lone 1 77 - 2 - HB2 LYS 77 - HA ASP 31 lone 1 70 - 1 - HD2 LYS 123 - HA ASP 31 lone 1 70 - 1 - Peak 9277 from cnoeabs.peaks (7.61, 4.25, 61.56 ppm; 4.56 A): 2 out of 9 assignments used, quality = 0.89: H ASP 34 + HA VAL 32 OK 86 98 - 87 - 9322=41, 187/3.6=39...(12) H LEU 64 + HA VAL 32 OK 20 73 - 27 - 9278/3.2=8, 1417/3.0=4...(7) H GLU 69 - HA VAL 32 poor 7 70 - 10 - 5.1/9292=2, 9278/3.2=2...(5) H LYS 16 - HA VAL 32 lone 6 98 - 7 - 9278/3.2=1, 81/3.2=1 H LEU 74 - HA VAL 32 lone 6 100 - 6 - 9357/9292=1, 9278/3.2=1 H LYS 115 - HA VAL 32 lone 5 97 - 5 - 10451/3.2=2 HE21 GLN 85 - HA VAL 32 lone 4 81 - 4 - H GLN 100 - HA VAL 32 lone 4 84 - 4 - HE ARG 105 - HA VAL 32 lone 1 90 - 1 - Peak 9278 from cnoeabs.peaks (7.62, 0.87, 21.73 ppm; 3.74 A): 2 out of 11 assignments used, quality = 0.84: H ASP 34 + QG1 VAL 32 OK 76 100 - 76 - 9319=34, 9322/3.2=24...(11) H LEU 64 + QG1 VAL 32 OK 34 96 - 35 - 2.9/9288=6, 1417/2.1=5...(14) H GLU 69 - QG1 VAL 32 lone 9 94 - 10 - 4.6/9757=3, 9280/2.1=1 H LYS 115 - QG1 VAL 32 lone 6 100 - 6 - 10451=1 H LYS 16 - QG1 VAL 32 lone 6 81 - 7 - H LEU 74 - QG1 VAL 32 lone 5 94 - 5 - H GLN 100 - QG1 VAL 32 lone 4 99 - 4 - HE21 GLN 85 - QG1 VAL 32 lone 4 98 - 4 - HD21 ASN 50 - QG1 VAL 32 lone 2 77 - 3 - H ALA 46 - QG1 VAL 32 lone 2 61 - 2 - HE ARG 105 - QG1 VAL 32 lone 0 61 - 1 - Peak 9279 from cnoeabs.peaks (7.82, 0.87, 21.73 ppm; 5.67 A): 3 out of 4 assignments used, quality = 0.82: H LYS 39 + QG1 VAL 32 OK 74 92 - 80 - 3.6/9288=34, 4.5/9282=29...(11) H GLU 66 + QG1 VAL 32 OK 21 73 - 29 - 9281/2.1=9, 4.6/1065=3...(10) H ILE 97 + QG1 VAL 32 OK 13 87 - 15 - 1883/9282=4, 9281/2.1=3 H VAL 78 - QG1 VAL 32 lone 6 90 - 7 - 9281/2.1=1, 1883/9282=1 Peak 9280 from cnoeabs.peaks (7.62, 0.76, 21.14 ppm; 6.20 A): 3 out of 11 assignments used, quality = 0.94: H ASP 34 + QG2 VAL 32 OK 84 97 - 86 - 187/4.4=46, 9322/3.2=41...(9) H LEU 64 + QG2 VAL 32 OK 49 100 - 49 - 9278/2.1=11, 2.9/9289=10...(9) H GLU 69 + QG2 VAL 32 OK 26 99 - 26 - 3.6/9290=8, 9278/2.1=3...(9) H LEU 74 - QG2 VAL 32 poor 9 81 - 11 - 9278/2.1=2, 4.3/10928=2...(5) H LYS 16 - QG2 VAL 32 poor 9 61 - 15 - ~7989=2, 9278/2.1=2...(6) H LYS 115 - QG2 VAL 32 lone 9 98 - 9 - 10451/2.1=3, 9277/3.2=1 HE21 GLN 85 - QG2 VAL 32 lone 8 100 - 8 - 9278/2.1=1 H GLN 100 - QG2 VAL 32 lone 8 100 - 8 - 9278/2.1=1 H ALA 46 - QG2 VAL 32 lone 7 81 - 9 - 4.6/1297=1, 4.3/10928=1...(4) HD21 ASN 50 - QG2 VAL 32 lone 5 92 - 6 - ~9297=1, ~9294=1 HD21 ASN 10 - QG2 VAL 32 lone 3 65 - 4 - 5.6/9129=2 Peak 9281 from cnoeabs.peaks (7.81, 0.76, 21.14 ppm; 6.20 A): 2 out of 4 assignments used, quality = 0.69: H LYS 39 + QG2 VAL 32 OK 58 73 - 80 - 3.6/9289=32, 9279/2.1=28...(8) H GLU 66 + QG2 VAL 32 OK 25 92 - 27 - 9279/2.1=8, 4.9/11065=8...(6) H ILE 97 - QG2 VAL 32 poor 9 65 - 14 - 9279/2.1=5, 1883/9283=3 H VAL 78 - QG2 VAL 32 lone 4 70 - 5 - 9279/2.1=2 Peak 9282 from cnoeabs.peaks (8.20, 0.87, 21.73 ppm; 3.90 A): 3 out of 3 assignments used, quality = 0.84: H LEU 38 + QG1 VAL 32 OK 80 99 - 80 - 11505=30, 3.0/9288=25...(15) H ASP 84 + QG1 VAL 32 OK 14 98 - 14 - 9283/2.1=5, 4.4/10008=1 H GLU 111 + QG1 VAL 32 OK 11 81 - 14 - 9283/2.1=3, 4.4/11419=2...(6) Peak 9283 from cnoeabs.peaks (8.20, 0.76, 21.14 ppm; 4.95 A): 3 out of 3 assignments used, quality = 0.91: H LEU 38 + QG2 VAL 32 OK 86 99 - 86 - 9282/2.1=36, 3.0/9289=28...(12) H ASP 84 + QG2 VAL 32 OK 25 98 - 25 - 10021=6, 9282/2.1=6...(7) H GLU 111 + QG2 VAL 32 OK 16 81 - 19 - 9282/2.1=5, 3.6/10372=4...(5) Peak 9284 from cnoeabs.peaks (4.98, 4.25, 61.56 ppm; 5.69 A): 1 out of 2 assignments used, quality = 0.94: HA ASN 33 + HA VAL 32 OK 94 100 - 94 - 2.9/7445=50, 3.6/9322=39...(10) HA ASN 10 - HA VAL 32 lone 8 90 - 9 - 11485/3.2=3, ~9129=2...(4) Peak 9287 from cnoeabs.peaks (3.76, 1.78, 33.88 ppm; 5.82 A): 2 out of 2 assignments used, quality = 0.73: HB2 SER 58 + HB VAL 32 OK 67 73 - 91 - 2.8/11681=39...(10) HA LEU 68 + HB VAL 32 OK 17 77 - 23 - 9290/2.1=8, ~9757=8...(5) Peak 9288 from cnoeabs.peaks (3.91, 0.87, 21.73 ppm; 3.26 A): 2 out of 5 assignments used, quality = 0.77: HA LEU 38 + QG1 VAL 32 OK 71 100 - 71 - 11003=34, 3.0/9282=16...(10) HA LEU 64 + QG1 VAL 32 OK 20 100 - 20 - 2.9/9278=5, 9289/2.1=5...(6) HB2 SER 35 - QG1 VAL 32 lone 6 90 - 6 - 3.0/9337=3, 9289/2.1=1, 10798=1 HA GLU 128 - QG1 VAL 32 lone 3 100 - 3 - HA ARG 118 - QG1 VAL 32 lone 1 77 - 1 - Peak 9289 from cnoeabs.peaks (3.91, 0.76, 21.14 ppm; 4.10 A): 2 out of 5 assignments used, quality = 0.84: HA LEU 38 + QG2 VAL 32 OK 79 100 - 79 - 11003/2.1=31...(10) HA LEU 64 + QG2 VAL 32 OK 24 97 - 25 - 9288/2.1=8, ~9278=4...(6) HB2 SER 35 - QG2 VAL 32 lone 7 99 - 7 - ~9337=3, 10798/2.1=3 HA GLU 128 - QG2 VAL 32 lone 4 98 - 4 - 9288/2.1=1 HA MET 121 - QG2 VAL 32 lone 1 70 - 1 - Peak 9290 from cnoeabs.peaks (3.77, 0.76, 21.14 ppm; 5.32 A): 2 out of 2 assignments used, quality = 0.73: HB2 SER 58 + QG2 VAL 32 OK 68 84 - 81 - 2.8/11713=28...(7) HA LEU 68 + QG2 VAL 32 OK 16 87 - 19 - 9287/2.1=7, ~9757=7, 3.6/9280=3 Peak 9291 from cnoeabs.peaks (2.16, 4.25, 61.56 ppm; 4.38 A): 2 out of 6 assignments used, quality = 0.83: HB3 GLU 37 + HA VAL 32 OK 81 90 - 90 - 1.8/9292=31, 9373=22...(18) HB2 GLU 98 + HA VAL 32 OK 14 77 - 19 - 3.0/9293=3, 9305/3.6=3...(7) HB3 GLN 62 - HA VAL 32 lone 4 100 - 4 - HB2 GLN 62 - HA VAL 32 lone 4 100 - 4 - HB2 GLN 85 - HA VAL 32 lone 3 94 - 4 - HB3 GLU 13 - HA VAL 32 lone 1 99 - 1 - Peak 9292 from cnoeabs.peaks (2.27, 4.25, 61.56 ppm; 4.20 A): 2 out of 10 assignments used, quality = 0.88: HB2 GLU 37 + HA VAL 32 OK 86 99 - 87 - 1.8/9291=27, 9351/3.6=20...(17) HG2 GLU 69 + HA VAL 32 OK 11 100 - 11 - 1.8/9293=2, 9306/3.6=2...(5) HG3 GLU 111 - HA VAL 32 lone 3 99 - 3 - HB3 ASN 8 - HA VAL 32 lone 3 100 - 3 - 9092/3.0=1 HG3 GLU 91 - HA VAL 32 lone 3 81 - 3 - 9306/3.6=1 HG2 GLU 111 - HA VAL 32 lone 2 81 - 3 - HG2 GLU 89 - HA VAL 32 lone 1 92 - 2 - HG3 GLU 92 - HA VAL 32 lone 1 96 - 1 - HB2 MET 121 - HA VAL 32 lone 1 70 - 1 - HG2 GLU 103 - HA VAL 32 lone 1 70 - 1 - Peak 9293 from cnoeabs.peaks (2.45, 4.25, 61.56 ppm; 5.01 A): 2 out of 7 assignments used, quality = 0.97: HG2 GLU 37 + HA VAL 32 OK 94 99 - 95 - 3.0/9292=31, 1.8/9294=30...(17) HG3 GLU 41 + HA VAL 32 OK 53 87 - 62 - ~9300=29, ~9302=16...(7) HG3 GLU 98 - HA VAL 32 OK 26 92 - 28 - 3.0/9291=5, 9353/3.6=5...(9) HG3 GLU 69 - HA VAL 32 OK 15 92 - 17 - 1.8/9292=5, 9301/3.2=3...(6) HG2 GLN 100 - HA VAL 32 lone 4 98 - 4 - HG3 GLU 119 - HA VAL 32 lone 2 87 - 3 - HG2 MET 1 - HA VAL 32 lone 1 65 - 2 - Peak 9294 from cnoeabs.peaks (2.71, 4.25, 61.56 ppm; 4.65 A): 1 out of 7 assignments used, quality = 0.69: HG3 GLU 37 + HA VAL 32 OK 69 77 - 89 - 3.0/9292=28, 3.0/9291=26...(17) HE3 LYS 19 - HA VAL 32 poor 10 81 - 12 - 9297/3.2=4, ~9297=3...(5) HE2 LYS 19 - HA VAL 32 poor 10 81 - 12 - 9297/3.2=4, ~9297=3...(5) HB3 ASN 50 - HA VAL 32 lone 4 98 - 4 - 9297/3.2=1 HB2 ASN 50 - HA VAL 32 lone 4 97 - 4 - 9297/3.2=1 HB3 ASP 109 - HA VAL 32 lone 4 73 - 5 - 9297/3.2=2, ~10360=2 HE3 LYS 53 - HA VAL 32 lone 1 99 - 1 - Peak 9295 from cnoeabs.peaks (2.92, 4.25, 61.56 ppm; 6.20 A): 2 out of 18 assignments used, quality = 0.92: HB2 ASN 33 + HA VAL 32 OK 85 94 - 91 - 4.0/7445=48, 3.0/9284=37...(8) HB2 ASP 34 + HA VAL 32 OK 46 92 - 50 - 4.0/9322=39, 1210/3.6=10 HB2 ASN 10 - HA VAL 32 lone 7 84 - 8 - 3.0/9284=3, ~11485=3 HD3 ARG 30 - HA VAL 32 lone 4 81 - 5 - ~9303=2 HE3 LYS 44 - HA VAL 32 lone 4 90 - 4 - HE2 LYS 44 - HA VAL 32 lone 4 90 - 4 - HE2 LYS 16 - HA VAL 32 lone 4 94 - 4 - 7.4/9277=1 HE3 LYS 16 - HA VAL 32 lone 4 94 - 4 - 7.4/9277=1 HE2 LYS 115 - HA VAL 32 lone 3 92 - 3 - HE3 LYS 115 - HA VAL 32 lone 3 92 - 3 - HB3 ASN 88 - HA VAL 32 lone 3 81 - 4 - HB2 ASP 86 - HA VAL 32 lone 2 96 - 3 - HE2 LYS 65 - HA VAL 32 lone 2 100 - 2 - HE3 LYS 65 - HA VAL 32 lone 2 100 - 2 - HE3 LYS 94 - HA VAL 32 lone 2 100 - 2 - HE3 LYS 17 - HA VAL 32 lone 2 61 - 3 - HE2 LYS 96 - HA VAL 32 lone 2 90 - 2 - HE3 LYS 96 - HA VAL 32 lone 2 90 - 2 - Peak 9297 from cnoeabs.peaks (2.71, 0.87, 21.73 ppm; 4.60 A): 3 out of 7 assignments used, quality = 0.76: HG3 GLU 37 + QG1 VAL 32 OK 66 73 - 90 - 1.8/9298=22, 9294/3.2=21...(22) HE2 LYS 19 + QG1 VAL 32 OK 15 84 - 18 - 4.0/10931=3, 9294/3.2=3...(9) HE3 LYS 19 + QG1 VAL 32 OK 15 84 - 18 - 4.0/10931=3, 9294/3.2=3...(9) HB3 ASP 109 - QG1 VAL 32 poor 9 70 - 13 - 1.8/10360=3, 4.4/10368=3...(5) HB3 ASN 50 - QG1 VAL 32 lone 5 99 - 5 - 9294/3.2=1, 9678/10931=1 HB2 ASN 50 - QG1 VAL 32 lone 5 98 - 5 - 9294/3.2=1, 9678/10931=1 HE3 LYS 53 - QG1 VAL 32 lone 2 99 - 2 - Peak 9298 from cnoeabs.peaks (2.44, 0.87, 21.73 ppm; 4.25 A): 2 out of 7 assignments used, quality = 0.93: HG2 GLU 37 + QG1 VAL 32 OK 88 100 - 88 - 9301/2.1=22, 1.8/9297=19...(20) HG3 GLU 41 + QG1 VAL 32 OK 44 65 - 67 - 1.8/9300=43, ~9302=16...(7) HG3 GLU 98 - QG1 VAL 32 OK 22 99 - 22 - 9301/2.1=4, 9367=3...(10) HG3 GLU 69 - QG1 VAL 32 OK 13 99 - 13 - 9301/2.1=3, ~9292=2...(5) HG2 GLN 100 - QG1 VAL 32 lone 3 100 - 3 - HG2 MET 1 - QG1 VAL 32 lone 2 87 - 2 - HG3 GLU 119 - QG1 VAL 32 lone 1 65 - 2 - Peak 9299 from cnoeabs.peaks (2.25, 0.87, 21.73 ppm; 4.10 A): 0 out of 6 assignments used, low quality = 0.19: HG2 GLN 28 - QG1 VAL 32 OK 19 97 - 20 - 3.8/9240=9, 1.8/9705=4...(5) HB2 GLN 122 - QG1 VAL 32 lone 3 99 - 3 - HB3 GLN 122 - QG1 VAL 32 lone 3 99 - 3 - HG2 GLU 89 - QG1 VAL 32 lone 1 70 - 2 - HG2 GLU 103 - QG1 VAL 32 lone 1 92 - 1 - HG3 GLU 92 - QG1 VAL 32 lone 1 61 - 1 - Peak 9300 from cnoeabs.peaks (2.14, 0.87, 21.73 ppm; 3.58 A): 0 out of 2 assignments used, low quality = 0.30: HG2 GLU 41 - QG1 VAL 32 OK 30 99 - 30 - 9302/2.1=17, 1.8/9298=7...(4) HB2 GLU 91 - QG1 VAL 32 lone 2 87 - 2 - Peak 9301 from cnoeabs.peaks (2.44, 0.76, 21.14 ppm; 3.92 A): 4 out of 7 assignments used, quality = 0.89: HG2 GLU 37 + QG2 VAL 32 OK 78 100 - 78 - 9298/2.1=16, 9353/4.4=11...(18) HG3 GLU 41 + QG2 VAL 32 OK 35 65 - 53 - ~9300=24, 1.8/9302=22...(7) HG3 GLU 98 + QG2 VAL 32 OK 15 99 - 15 - 9298/2.1=4, 9353/4.4=3...(4) HG3 GLU 69 + QG2 VAL 32 OK 11 99 - 11 - 9298/2.1=2, ~9292=2...(6) HG2 GLN 100 - QG2 VAL 32 lone 2 100 - 2 - HG2 MET 1 - QG2 VAL 32 lone 2 87 - 2 - HG3 GLU 119 - QG2 VAL 32 lone 1 65 - 2 - Peak 9302 from cnoeabs.peaks (2.13, 0.76, 21.14 ppm; 3.47 A): 2 out of 8 assignments used, quality = 0.71: HG2 GLU 41 + QG2 VAL 32 OK 53 100 - 54 - 9300/2.1=29, 9399=20...(7) HB2 LEU 38 + QG2 VAL 32 OK 37 65 - 56 - 2.9/9289=15...(8) HG3 GLN 83 - QG2 VAL 32 lone 7 77 - 10 - 3.0/10009=1, 5.0/3427=1 HB VAL 107 - QG2 VAL 32 lone 3 73 - 4 - 4.0/1714=1 HB2 GLU 91 - QG2 VAL 32 lone 2 97 - 2 - 9300/2.1=2 HB2 GLU 119 - QG2 VAL 32 lone 1 77 - 1 - HB3 GLU 119 - QG2 VAL 32 lone 1 65 - 1 - HB2 GLU 21 - QG2 VAL 32 lone 0 73 - 0 - Peak 9303 from cnoeabs.peaks (1.45, 0.76, 21.14 ppm; 4.07 A): 5 out of 18 assignments used, quality = 0.89: HB3 LEU 38 + QG2 VAL 32 OK 61 81 - 75 - 2.9/9289=21, 1.8/9302=16...(9) HG12 ILE 7 + QG2 VAL 32 OK 56 87 - 64 - 3.0/10928=15, ~11584=10...(14) HG2 LYS 39 + QG2 VAL 32 OK 22 92 - 24 - 11039=11, 4.9/9281=7...(4) HG3 ARG 30 + QG2 VAL 32 OK 13 99 - 13 - 4.8/9273=9, 2.8/9260=4 HB3 LEU 6 + QG2 VAL 32 OK 11 90 - 12 - 10954=3, 4.6/1055=3...(5) HG2 LYS 106 - QG2 VAL 32 poor 9 84 - 11 - 10930/2.1=2, 1.8/10289=2...(4) HG12 ILE 57 - QG2 VAL 32 lone 7 84 - 9 - ~10791=5, 175/9273=1 HG2 LYS 96 - QG2 VAL 32 lone 4 97 - 4 - 5.0/9281=1 HG3 LYS 44 - QG2 VAL 32 lone 2 94 - 2 - HG LEU 80 - QG2 VAL 32 lone 2 98 - 2 - HG LEU 4 - QG2 VAL 32 lone 2 99 - 2 - HG3 LYS 49 - QG2 VAL 32 lone 1 90 - 2 - HG2 LYS 49 - QG2 VAL 32 lone 1 90 - 2 - HB3 LEU 4 - QG2 VAL 32 lone 1 92 - 1 - HB2 LEU 4 - QG2 VAL 32 lone 1 92 - 1 - HB3 LYS 61 - QG2 VAL 32 lone 1 77 - 2 - HB2 LEU 74 - QG2 VAL 32 lone 1 61 - 2 - HG3 LYS 17 - QG2 VAL 32 lone 1 65 - 2 - Peak 9304 from cnoeabs.peaks (2.26, 0.76, 21.14 ppm; 5.43 A): 3 out of 10 assignments used, quality = 0.89: HB2 GLU 37 + QG2 VAL 32 OK 84 87 - 97 - 3.0/9301=25, 9351/4.4=24...(20) HG2 GLN 28 + QG2 VAL 32 OK 23 65 - 36 - 9299/2.1=25, 3.0/11484=6...(4) HG2 GLU 69 + QG2 VAL 32 OK 14 73 - 18 - 1.8/9301=4, ~9298=3...(6) HB2 GLN 122 - QG2 VAL 32 poor 9 73 - 12 - ~9299=5, 9299/2.1=5 HB3 GLN 122 - QG2 VAL 32 poor 9 73 - 12 - ~9299=5, 9299/2.1=5 HG3 GLU 111 - QG2 VAL 32 lone 7 87 - 8 - 5.2/9283=3 HG2 GLU 89 - QG2 VAL 32 lone 4 98 - 4 - 9299/2.1=1 HB3 ASN 8 - QG2 VAL 32 lone 4 73 - 5 - 9092/4.0=1 HG3 GLU 92 - QG2 VAL 32 lone 3 96 - 3 - HG2 GLU 103 - QG2 VAL 32 lone 3 100 - 3 - 9299/2.1=1 Peak 9308 from cnoeabs.peaks (0.74, 4.98, 53.40 ppm; 3.67 A): 0 out of 9 assignments used, low quality = 0.43: QD1 LEU 63 - HA ASN 33 OK 43 100 - 43 - 11256=26, 2.1/11255=11...(4) QD2 LEU 6 - HA ASN 33 lone 9 97 - 9 - 11256=5, 9320/3.6=3, 10795/3.0=1 QG2 ILE 7 - HA ASN 33 lone 8 100 - 8 - 9320/3.6=2, ~186=2...(4) QD1 LEU 45 - HA ASN 33 lone 3 87 - 3 - 11256=1 QG2 ILE 54 - HA ASN 33 lone 2 99 - 2 - QD2 LEU 45 - HA ASN 33 lone 2 70 - 2 - QD2 LEU 55 - HA ASN 33 lone 1 98 - 1 - HG13 ILE 18 - HA ASN 33 lone 1 84 - 1 - QG2 VAL 78 - HA ASN 33 lone 0 70 - 0 - Peak 9309 from cnoeabs.peaks (2.03, 2.93, 40.96 ppm; 4.27 A): 5 out of 14 assignments used, quality = 0.83: HB2 GLU 89 + HB2 ASP 86 OK 32 87 - 37 - 4.0/10037=8, 10049/1.8=7...(10) HB3 GLU 89 + HB2 ASP 86 OK 32 87 - 37 - 4.0/10037=8, 10049/1.8=7...(10) HB3 GLU 87 + HB2 ASP 86 OK 31 87 - 35 - 4.0/7742=22, 10049/1.8=7...(5) HB3 GLN 85 + HB2 ASP 86 OK 28 87 - 33 - 4.6/1570=24, 10049/1.8=7...(4) HB3 GLU 111 + HB2 ASP 86 OK 26 99 - 26 - 10049/1.8=7, 3.9/10037=6...(7) HB2 GLU 66 - HB2 ASP 86 lone 3 87 - 4 - HB2 GLU 48 - HB2 ASP 86 lone 2 87 - 2 - HB3 GLU 48 - HB2 ASP 86 lone 2 87 - 2 - HB2 MET 1 - HB2 ASP 86 lone 1 100 - 1 - HB2 GLN 25 - HB2 ASP 86 lone 1 97 - 1 - HG3 GLU 128 - HB2 ASP 86 lone 1 81 - 1 - HG2 GLU 128 - HB2 ASP 86 lone 1 81 - 1 - HG3 GLU 52 - HB2 ASP 86 lone 1 73 - 1 - HB VAL 117 - HB2 ASP 86 lone 1 61 - 1 - Peak 9323 from cnoeabs.peaks (0.72, 3.09, 42.40 ppm; 5.01 A): 3 out of 11 assignments used, quality = 0.70: QD2 LEU 63 + HB3 ASP 34 OK 52 90 - 58 - 11262/3.0=20, ~11349=17...(7) QD1 LEU 6 + HB3 ASP 34 OK 26 99 - 26 - ~11349=8, ~9324=6...(6) QD2 LEU 6 + HB3 ASP 34 OK 15 77 - 20 - 9324/3.0=7, 9334/4.5=4...(5) QG2 VAL 78 - HB3 ASP 34 lone 9 99 - 10 - 9334/4.5=2, 9341/9343=2...(5) QD2 LEU 45 - HB3 ASP 34 lone 7 99 - 7 - 9324/3.0=2, ~11349=2, 9334/4.5=1 QG2 ILE 18 - HB3 ASP 34 lone 5 100 - 5 - ~11349=1 HG13 ILE 18 - HB3 ASP 34 lone 5 94 - 5 - 9324/3.0=1, 9334/4.5=1 QG1 VAL 117 - HB3 ASP 34 lone 4 100 - 4 - 9334/4.5=2 QD2 LEU 81 - HB3 ASP 34 lone 3 81 - 3 - 9334/4.5=1 QD2 LEU 55 - HB3 ASP 34 lone 2 73 - 3 - QD1 ILE 57 - HB3 ASP 34 lone 2 84 - 2 - Peak 9324 from cnoeabs.peaks (0.73, 4.70, 53.48 ppm; 3.30 A): 3 out of 11 assignments used, quality = 0.55: QD1 LEU 63 + HA ASP 34 OK 40 92 - 44 - 11263=14, 2.1/11262=11...(9) QD2 LEU 6 + HA ASP 34 OK 16 99 - 17 - 11263=5, 11349/3.0=4...(6) QD1 LEU 6 + HA ASP 34 OK 10 73 - 14 - 2.1/11263=5, 9334/3.6=2...(6) QG2 VAL 78 - HA ASP 34 lone 5 98 - 5 - 9334/3.6=1, 11349/3.0=1 QD2 LEU 45 - HA ASP 34 lone 4 98 - 4 - HG13 ILE 18 - HA ASP 34 lone 3 100 - 3 - QG2 ILE 7 - HA ASP 34 lone 2 84 - 3 - 9320/3.0=1 QG1 VAL 117 - HA ASP 34 lone 2 92 - 2 - QD2 LEU 55 - HA ASP 34 lone 2 99 - 2 - QG2 ILE 54 - HA ASP 34 lone 2 77 - 2 - QG2 ILE 18 - HA ASP 34 lone 2 84 - 2 - Peak 9328 from cnoeabs.peaks (8.39, 3.09, 42.40 ppm; 5.31 A): 2 out of 5 assignments used, quality = 0.85: H ASP 36 + HB3 ASP 34 OK 82 100 - 82 - 9343=41, 4.6/196=38...(5) H MET 67 + HB3 ASP 34 OK 13 99 - 13 - 9329/1.8=6, 1880/4.5=4 H PHE 79 - HB3 ASP 34 lone 5 77 - 7 - 4.1/9323=2, 9329/1.8=2 H LYS 123 - HB3 ASP 34 lone 2 90 - 3 - H ASP 31 - HB3 ASP 34 lone 2 87 - 2 - Peak 9329 from cnoeabs.peaks (8.39, 2.91, 42.40 ppm; 5.61 A): 2 out of 5 assignments used, quality = 0.87: H ASP 36 + HB2 ASP 34 OK 84 100 - 84 - 9343/1.8=48, 197/4.5=37...(4) H MET 67 + HB2 ASP 34 OK 17 99 - 17 - 9328/1.8=5, 1880/4.5=4...(5) H PHE 79 - HB2 ASP 34 lone 6 77 - 8 - 4.1/11349=2, 9328/1.8=2 H LYS 123 - HB2 ASP 34 lone 3 90 - 3 - H ASP 31 - HB2 ASP 34 lone 3 87 - 3 - Peak 9335 from cnoeabs.peaks (1.69, 4.05, 61.45 ppm; 5.94 A): 3 out of 24 assignments used, quality = 0.51: HG3 LYS 39 + HA SER 35 OK 29 87 - 34 - 4.9/8033=21, 1.8/8031=8 HD3 LYS 39 + HA SER 35 OK 18 65 - 27 - 6.2/8033=16, 3.0/8031=7 HD2 LYS 39 + HA SER 35 OK 16 61 - 27 - 6.2/8033=16, 3.0/8031=7 HD2 LYS 40 - HA SER 35 lone 9 99 - 9 - 6.2/2040=3, 3.6/8044=2...(4) HD3 LYS 40 - HA SER 35 lone 9 98 - 9 - 6.2/2040=3, 3.6/8044=2...(4) HG3 ARG 95 - HA SER 35 lone 7 90 - 8 - 1.8/9336=2 HD2 LYS 73 - HA SER 35 lone 5 100 - 5 - ~10796=1 HD3 LYS 73 - HA SER 35 lone 5 100 - 5 - ~10796=1 HD3 LYS 96 - HA SER 35 lone 5 99 - 5 - 7801/8033=1 HD2 LYS 96 - HA SER 35 lone 5 98 - 5 - 7801/8033=1 HD2 LYS 16 - HA SER 35 lone 4 100 - 4 - HD3 LYS 16 - HA SER 35 lone 4 100 - 4 - HD3 LYS 20 - HA SER 35 lone 4 100 - 4 - HD2 LYS 20 - HA SER 35 lone 4 100 - 4 - HG3 LYS 123 - HA SER 35 lone 4 87 - 4 - 7107/3.6=2 HD3 LYS 43 - HA SER 35 lone 4 100 - 4 - HG12 ILE 71 - HA SER 35 lone 4 97 - 4 - ~9783=2 HD2 LYS 43 - HA SER 35 lone 4 96 - 4 - HD2 LYS 44 - HA SER 35 lone 2 81 - 3 - HD3 LYS 44 - HA SER 35 lone 2 73 - 3 - HD2 LYS 17 - HA SER 35 lone 2 98 - 2 - HB ILE 54 - HA SER 35 lone 2 99 - 2 - HB ILE 56 - HA SER 35 lone 2 100 - 2 - HG LEU 74 - HA SER 35 lone 1 70 - 2 - Peak 9336 from cnoeabs.peaks (1.87, 4.05, 61.45 ppm; 6.13 A): 4 out of 11 assignments used, quality = 0.78: HB2 LEU 63 + HA SER 35 OK 61 99 - 62 - 3.1/9338=22, ~11264=13...(11) QE MET 42 + HA SER 35 OK 18 100 - 18 - 9429/8031=6, 9424/3.0=5...(4) HG LEU 70 + HA SER 35 OK 18 65 - 27 - ~9769=7, ~9770=6...(5) QE MET 67 + HA SER 35 OK 16 81 - 20 - 4948/3.6=5, 9729/3.0=4...(6) HG2 ARG 95 - HA SER 35 lone 8 92 - 9 - 1.8/9335=2, 11427=2 HG LEU 45 - HA SER 35 lone 6 73 - 8 - 2.1/9338=2, ~9334=2, ~10797=2 HB2 LYS 16 - HA SER 35 lone 3 81 - 4 - HB3 LYS 16 - HA SER 35 lone 3 77 - 4 - HG LEU 127 - HA SER 35 lone 3 96 - 3 - HB3 ARG 118 - HA SER 35 lone 2 99 - 2 - HB2 ARG 105 - HA SER 35 lone 2 94 - 2 - Peak 9337 from cnoeabs.peaks (0.87, 4.05, 61.45 ppm; 4.17 A): 3 out of 10 assignments used, quality = 0.68: QD2 LEU 38 + HA SER 35 OK 52 70 - 75 - 3.1/8029=23, 3.1/8031=17...(13) QG1 VAL 32 + HA SER 35 OK 22 99 - 23 - 9282/8028=7...(7) QD2 LEU 90 + HA SER 35 OK 14 92 - 15 - 2.1/11493=4, 11573=3...(6) QG2 VAL 117 - HA SER 35 lone 9 97 - 9 - 2.1/9338=3, 10798/3.0=2 HG13 ILE 57 - HA SER 35 poor 9 84 - 10 - 2.1/9338=3, 1.8/8031=3...(4) QG2 VAL 107 - HA SER 35 lone 7 99 - 7 - 2.1/8029=2, 10798/3.0=1 QG2 VAL 104 - HA SER 35 lone 2 87 - 3 - QD1 LEU 14 - HA SER 35 lone 2 84 - 3 - QG2 THR 9 - HA SER 35 lone 2 94 - 2 - QG2 VAL 22 - HA SER 35 lone 1 65 - 2 - Peak 9338 from cnoeabs.peaks (0.71, 4.05, 61.45 ppm; 3.76 A): 2 out of 9 assignments used, quality = 0.64: QD2 LEU 63 + HA SER 35 OK 53 99 - 54 - 11048=21, 10797/3.0=9...(14) QD1 LEU 6 + HA SER 35 OK 22 100 - 23 - 10797/3.0=4, 9334/2.9=3...(9) QG2 VAL 78 - HA SER 35 poor 10 90 - 11 - 9341/3.6=3, 9334/2.9=2...(4) QD1 ILE 57 - HA SER 35 lone 8 97 - 9 - 2.1/8031=2, 2.1/9337=2 QG1 VAL 117 - HA SER 35 lone 8 97 - 8 - 2.1/9337=2, 10797/3.0=2 QD2 LEU 81 - HA SER 35 lone 7 96 - 7 - ~7719=1, 10797/3.0=1, ~7720=1 QD2 LEU 45 - HA SER 35 lone 4 90 - 5 - 9334/2.9=1 QG2 ILE 18 - HA SER 35 lone 4 99 - 4 - HG13 ILE 18 - HA SER 35 lone 3 77 - 4 - Peak 9345 from cnoeabs.peaks (1.70, 4.52, 57.67 ppm; 4.16 A): 3 out of 25 assignments used, quality = 0.97: HG3 LYS 39 + HA ASP 36 OK 72 100 - 73 - 2.9/8039=18, 2.9/8037=17...(11) HD3 LYS 39 + HA ASP 36 OK 67 97 - 69 - 3.5/8039=15...(11) HD2 LYS 39 + HA ASP 36 OK 66 96 - 69 - 3.5/8039=15...(11) HG3 LYS 123 - HA ASP 36 OK 11 100 - 11 - 10933=2, 7107/3.0=2...(5) HD2 LYS 40 - HA ASP 36 poor 10 73 - 14 - 6.2/2041=9, 3.6/8038=3 HD3 LYS 40 - HA ASP 36 poor 9 70 - 14 - 6.2/2041=9, 3.6/8038=3 HD3 LYS 96 - HA ASP 36 lone 4 77 - 5 - 5.7/8040=3 HD3 LYS 44 - HA ASP 36 lone 3 99 - 3 - HD2 LYS 44 - HA ASP 36 lone 3 100 - 3 - HD2 LYS 96 - HA ASP 36 lone 3 70 - 5 - 5.7/8040=3 HD3 LYS 43 - HA ASP 36 lone 1 81 - 2 - HD2 LYS 73 - HA ASP 36 lone 1 84 - 2 - HD3 LYS 73 - HA ASP 36 lone 1 81 - 2 - HD3 LYS 16 - HA ASP 36 lone 1 94 - 1 - HD2 LYS 16 - HA ASP 36 lone 1 87 - 1 - HD2 LYS 43 - HA ASP 36 lone 1 61 - 2 - HD2 LYS 20 - HA ASP 36 lone 1 92 - 1 - HG12 ILE 71 - HA ASP 36 lone 1 99 - 1 - HD3 LYS 20 - HA ASP 36 lone 1 90 - 1 - HG LEU 74 - HA ASP 36 lone 1 98 - 1 - HD2 LYS 17 - HA ASP 36 lone 1 70 - 1 - HB ILE 56 - HA ASP 36 lone 1 94 - 1 - HB ILE 54 - HA ASP 36 lone 0 73 - 1 - HB3 LYS 106 - HA ASP 36 lone 0 70 - 1 - HB2 LYS 106 - HA ASP 36 lone 0 61 - 1 - Peak 9346 from cnoeabs.peaks (3.00, 4.52, 57.67 ppm; 4.81 A): 2 out of 8 assignments used, quality = 0.77: HE3 LYS 39 + HA ASP 36 OK 54 81 - 67 - 3.6/10933=19...(9) HE2 LYS 39 + HA ASP 36 OK 49 73 - 67 - 3.6/10933=19...(9) HE3 LYS 123 - HA ASP 36 lone 6 81 - 8 - 3.9/10933=2, ~11206=1...(4) HE2 LYS 123 - HA ASP 36 lone 5 65 - 7 - 3.9/10933=2, ~11206=1...(4) HE2 LYS 43 - HA ASP 36 lone 2 77 - 3 - HE2 LYS 73 - HA ASP 36 lone 2 84 - 2 - HE3 LYS 73 - HA ASP 36 lone 2 65 - 2 - HB2 ASN 59 - HA ASP 36 lone 1 87 - 1 - Peak 9347 from cnoeabs.peaks (4.05, 2.84, 40.28 ppm; 6.20 A): 2 out of 10 assignments used, quality = 0.91: HA GLU 37 + HB2 ASP 36 OK 74 90 - 83 - 2.9/7459=50, ~7460=43, ~204=38 HA SER 35 + HB2 ASP 36 OK 64 100 - 64 - 3.6/1224=47, 8027/4.3=31 HA LYS 96 - HB2 ASP 36 lone 6 70 - 8 - ~8040=6 HA GLU 87 - HB2 ASP 36 lone 3 84 - 3 - HA GLU 69 - HB2 ASP 36 lone 2 97 - 3 - HA2 GLY 125 - HB2 ASP 36 lone 2 99 - 2 - HA LYS 44 - HB2 ASP 36 lone 2 84 - 2 - HA GLU 92 - HB2 ASP 36 lone 1 73 - 2 - HA3 GLY 125 - HB2 ASP 36 lone 1 77 - 2 - HB3 SER 126 - HB2 ASP 36 lone 1 65 - 2 - Peak 9351 from cnoeabs.peaks (9.54, 2.27, 29.72 ppm; 5.25 A): 1 out of 1 assignment used, quality = 0.82: H ASN 33 + HB2 GLU 37 OK 82 92 - 89 - 9352/1.8=35, 3.6/9292=29...(8) Peak 9352 from cnoeabs.peaks (9.55, 2.17, 29.72 ppm; 5.16 A): 2 out of 2 assignments used, quality = 0.91: H ASN 33 + HB3 GLU 37 OK 89 99 - 90 - 9305=38, 9351/1.8=38...(8) H ASN 33 + HB2 GLU 98 OK 12 56 - 20 - 9305=6, 9353/3.0=4...(6) Peak 9353 from cnoeabs.peaks (9.54, 2.44, 36.55 ppm; 5.52 A): 2 out of 2 assignments used, quality = 0.72: H ASN 33 + HG2 GLU 37 OK 67 77 - 87 - 9351/3.0=36, 9354/1.8=34...(7) H ASN 33 + HG3 GLU 98 OK 15 65 - 23 - 4.6/9316=5, 4.4/9298=5...(6) Peak 9354 from cnoeabs.peaks (9.54, 2.73, 36.55 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.71: H ASN 33 + HG3 GLU 37 OK 71 77 - 91 - 9351/3.0=42, 9353/1.8=39...(8) Peak 9355 from cnoeabs.peaks (7.60, 2.73, 36.55 ppm; 5.52 A): 2 out of 6 assignments used, quality = 0.78: H ASP 34 + HG3 GLU 37 OK 71 81 - 88 - 9318/3.0=28, 9357/3.0=27...(13) H LEU 74 + HG3 GLU 37 OK 24 97 - 25 - 2.9/9370=6, 9357/3.0=6...(6) H LYS 16 - HG3 GLU 37 lone 9 100 - 9 - 9357/3.0=2, 4.1/9368=1 H LYS 115 - HG3 GLU 37 lone 6 77 - 7 - 9357/3.0=2, 9350/4.9=1 HE ARG 105 - HG3 GLU 37 lone 2 100 - 2 - H LYS 17 - HG3 GLU 37 lone 1 61 - 2 - Peak 9357 from cnoeabs.peaks (7.61, 2.27, 29.72 ppm; 4.20 A): 2 out of 9 assignments used, quality = 0.84: H ASP 34 + HB2 GLU 37 OK 81 94 - 86 - 9318/1.8=34, 9317=30...(11) H LEU 74 + HB2 GLU 37 OK 17 100 - 17 - 2.9/9372=5, 9355/3.0=4...(6) H LEU 64 - HB2 GLU 37 poor 8 61 - 13 - 4.8/9364=4, 11315/4.7=3...(4) H GLU 69 - HB2 GLU 37 poor 7 57 - 13 - 1456=2, 9350/3.8=2...(5) H LYS 16 - HB2 GLU 37 lone 6 100 - 6 - 9355/3.0=1, 4.1/9363=1 H LYS 115 - HB2 GLU 37 lone 5 92 - 5 - H GLN 100 - HB2 GLU 37 lone 4 73 - 5 - 11178/3.0=1, 9350/3.8=1 HE21 GLN 85 - HB2 GLU 37 lone 2 70 - 2 - HE ARG 105 - HB2 GLU 37 lone 1 96 - 1 - Peak 9363 from cnoeabs.peaks (0.85, 2.27, 29.72 ppm; 4.26 A): 2 out of 11 assignments used, quality = 0.68: QG1 VAL 32 + HB2 GLU 37 OK 60 70 - 87 - 3.2/9292=23, 9365/1.8=19...(17) QD1 LEU 14 + HB2 GLU 37 OK 19 94 - 20 - 9365/1.8=5, 9368/3.0=3...(8) QG2 VAL 107 - HB2 GLU 37 poor 9 65 - 13 - 9365/1.8=3, 9368/3.0=2...(5) QG2 ILE 15 - HB2 GLU 37 lone 7 100 - 7 - 9365/1.8=1, 4.1/9357=1 HG13 ILE 57 - HB2 GLU 37 lone 5 94 - 5 - 9365/1.8=1 QG2 THR 9 - HB2 GLU 37 lone 4 84 - 5 - 9365/1.8=1 QG2 VAL 117 - HB2 GLU 37 lone 3 77 - 4 - 9365/1.8=1 QG2 VAL 22 - HB2 GLU 37 lone 3 99 - 3 - QG2 ILE 57 - HB2 GLU 37 lone 3 92 - 3 - HG13 ILE 5 - HB2 GLU 37 lone 2 99 - 2 - QG2 ILE 5 - HB2 GLU 37 lone 2 94 - 2 - Peak 9364 from cnoeabs.peaks (0.75, 2.27, 29.72 ppm; 4.77 A): 7 out of 11 assignments used, quality = 0.92: QG2 VAL 32 + HB2 GLU 37 OK 69 73 - 94 - 3.2/9292=27, 4.4/9351=23...(20) QD1 LEU 63 + HB2 GLU 37 OK 46 98 - 48 - 10986/4.7=11, 9366/1.8=9...(10) QD2 LEU 14 + HB2 GLU 37 OK 18 73 - 25 - 2.1/9363=7, ~9365=4...(7) QG2 ILE 7 + HB2 GLU 37 OK 13 100 - 14 - 10986/4.7=3, 9366/1.8=3...(5) QD2 LEU 6 + HB2 GLU 37 OK 13 87 - 15 - 10986/4.7=6, 9360/3.8=4...(5) QG1 VAL 107 + HB2 GLU 37 OK 13 73 - 17 - 2.1/9363=3, ~11672=3...(6) QD1 LEU 45 + HB2 GLU 37 OK 10 97 - 10 - ~9438=2, 9366/1.8=2...(5) QG2 ILE 54 - HB2 GLU 37 lone 6 100 - 6 - 10986/4.7=1, 9360/3.8=1 QD1 ILE 15 - HB2 GLU 37 lone 6 70 - 8 - 3.0/9363=2, ~9365=1 QD2 LEU 55 - HB2 GLU 37 lone 5 90 - 5 - 10986/4.7=1 HG13 ILE 18 - HB2 GLU 37 lone 2 65 - 3 - Peak 9365 from cnoeabs.peaks (0.86, 2.17, 29.72 ppm; 4.10 A): 3 out of 22 assignments used, quality = 0.85: QG1 VAL 32 + HB3 GLU 37 OK 78 90 - 87 - 9363/1.8=18, 4.4/9305=18...(19) QD1 LEU 14 + HB3 GLU 37 OK 21 100 - 21 - 9363/1.8=6, 9368/3.0=3...(9) QG2 VAL 107 + HB3 GLU 37 OK 12 87 - 14 - 9363/1.8=3, 11672/3.0=3...(5) QG1 VAL 32 - HB2 GLU 98 poor 8 46 - 17 - 9298/3.0=3, 3.2/9291=3...(8) QG2 ILE 15 - HB3 GLU 37 lone 6 94 - 6 - 9363/1.8=2 HG13 ILE 57 - HB3 GLU 37 lone 5 100 - 5 - 9363/1.8=1 QG2 THR 9 - HB3 GLU 37 lone 5 97 - 5 - 9363/1.8=1 QG2 VAL 117 - HB3 GLU 37 lone 4 94 - 4 - QG2 VAL 22 - HB3 GLU 37 lone 3 100 - 3 - QG2 VAL 107 - HB2 GLU 98 lone 2 44 - 5 - 10296/4.3=3 QG2 ILE 57 - HB3 GLU 37 lone 2 73 - 3 - HG13 ILE 5 - HB3 GLU 37 lone 2 92 - 2 - QG2 ILE 5 - HB3 GLU 37 lone 1 77 - 2 - QD1 LEU 14 - HB2 GLU 98 lone 1 57 - 2 - QG2 VAL 22 - HB2 GLU 98 lone 1 58 - 1 - HG13 ILE 57 - HB2 GLU 98 lone 1 57 - 1 - HG13 ILE 5 - HB2 GLU 98 lone 1 48 - 1 - QG2 THR 9 - HB2 GLU 98 lone 1 53 - 1 - QG2 VAL 117 - HB2 GLU 98 lone 0 50 - 1 - QG2 ILE 15 - HB2 GLU 98 lone 0 50 - 1 - QG2 ILE 5 - HB2 GLU 98 lone 0 38 - 1 - QG2 ILE 57 - HB2 GLU 98 lone 0 36 - 1 - Peak 9366 from cnoeabs.peaks (0.75, 2.17, 29.72 ppm; 4.48 A): 6 out of 22 assignments used, quality = 0.90: QG2 VAL 32 + HB3 GLU 37 OK 67 73 - 91 - 4.4/9305=21, 2.1/9365=21...(19) QD1 LEU 63 + HB3 GLU 37 OK 44 98 - 45 - 10986/4.7=10, 9364/1.8=8...(11) QD2 LEU 14 + HB3 GLU 37 OK 17 73 - 23 - 2.1/9365=6, ~9363=5...(7) QG2 ILE 7 + HB3 GLU 37 OK 13 100 - 13 - 10986/4.7=3...(5) QD2 LEU 6 + HB3 GLU 37 OK 12 87 - 14 - 10986/4.7=5, 9360/3.8=3...(5) QG1 VAL 107 + HB3 GLU 37 OK 12 73 - 16 - 2.1/9365=3, ~11672=3...(6) QD1 LEU 45 - HB3 GLU 37 lone 9 97 - 9 - 9364/1.8=2, ~9438=2...(5) QG2 VAL 32 - HB2 GLU 98 poor 8 36 - 21 - 3.2/9291=4, 4.4/9305=3...(9) QG2 ILE 54 - HB3 GLU 37 lone 6 100 - 6 - 10986/4.7=1, 9364/1.8=1 QD1 ILE 15 - HB3 GLU 37 lone 5 70 - 7 - ~9363=1, 3.0/9365=1, 9364/1.8=1 QD2 LEU 55 - HB3 GLU 37 lone 4 90 - 4 - QD1 LEU 63 - HB2 GLU 98 lone 2 54 - 4 - HG13 ILE 18 - HB3 GLU 37 lone 2 65 - 3 - QD2 LEU 55 - HB2 GLU 98 lone 2 46 - 3 - QG1 VAL 107 - HB2 GLU 98 lone 2 36 - 4 - QG2 ILE 7 - HB2 GLU 98 lone 1 57 - 2 - QD2 LEU 6 - HB2 GLU 98 lone 1 44 - 2 - QG2 ILE 54 - HB2 GLU 98 lone 1 58 - 1 - QD2 LEU 14 - HB2 GLU 98 lone 1 36 - 2 - QD1 LEU 45 - HB2 GLU 98 lone 1 53 - 1 - QD1 ILE 15 - HB2 GLU 98 lone 0 33 - 1 - HG13 ILE 18 - HB2 GLU 98 lone 0 31 - 1 - Peak 9367 from cnoeabs.peaks (0.88, 2.44, 36.55 ppm; 4.17 A): 4 out of 20 assignments used, quality = 0.94: QG1 VAL 32 + HG2 GLU 37 OK 78 92 - 85 - 9298=21, 2.1/9301=21...(19) QG2 VAL 104 + HG3 GLU 98 OK 59 86 - 68 - 2.1/10233=24, ~10232=17...(9) QD2 LEU 38 + HG2 GLU 37 OK 22 87 - 25 - 9359/4.9=7, 4.4/209=7...(6) QG1 VAL 32 + HG3 GLU 98 OK 18 80 - 22 - 9298=5, 2.1/9301=4...(6) QD2 LEU 38 - HG3 GLU 98 poor 10 75 - 13 - 4.4/209=3, 9384/1.8=2...(5) QG2 VAL 107 - HG2 GLU 37 lone 9 94 - 9 - 11672/1.8=3, ~9369=1...(4) QD1 LEU 14 - HG2 GLU 37 poor 9 65 - 14 - ~10771=2, ~9369=2...(7) QG2 VAL 104 - HG2 GLU 37 lone 6 97 - 7 - 2.1/10233=2 QG2 VAL 107 - HG3 GLU 98 lone 5 82 - 6 - 10296/4.9=3 QD2 LEU 90 - HG2 GLU 37 lone 4 99 - 4 - 9359/4.9=2 QD2 LEU 90 - HG3 GLU 98 lone 4 89 - 4 - 10161/4.1=1 HG13 ILE 57 - HG2 GLU 37 lone 2 65 - 3 - QG2 VAL 117 - HG2 GLU 37 lone 2 87 - 2 - QG2 THR 9 - HG2 GLU 37 lone 2 81 - 2 - QG2 VAL 117 - HG3 GLU 98 lone 1 75 - 1 - QG2 VAL 29 - HG3 GLU 98 lone 1 51 - 2 - QG2 THR 9 - HG3 GLU 98 lone 1 69 - 1 - QD1 LEU 14 - HG3 GLU 98 lone 1 55 - 1 - HG13 ILE 57 - HG3 GLU 98 lone 1 55 - 1 - QG2 VAL 29 - HG2 GLU 37 lone 1 61 - 1 - Peak 9368 from cnoeabs.peaks (0.86, 2.73, 36.55 ppm; 5.39 A): 1 out of 9 assignments used, quality = 0.95: QG1 VAL 32 + HG3 GLU 37 OK 95 98 - 97 - 9298/1.8=24, 4.4/9354=23...(22) QD1 LEU 14 - HG3 GLU 37 OK 32 100 - 32 - 9365/3.0=6, 9363/3.0=5...(9) QG2 VAL 107 - HG3 GLU 37 OK 23 97 - 23 - 11672=6, 9365/3.0=3...(7) QG2 ILE 15 - HG3 GLU 37 poor 9 81 - 11 - 4.1/9355=2, 9363/3.0=2...(4) QG2 THR 9 - HG3 GLU 37 lone 9 100 - 9 - 9365/3.0=1, 9363/3.0=1 HG13 ILE 57 - HG3 GLU 37 lone 8 100 - 8 - 9365/3.0=2, 9363/3.0=1, ~9557=1 QG2 VAL 117 - HG3 GLU 37 lone 7 99 - 7 - 9365/3.0=1 QG2 VAL 22 - HG3 GLU 37 lone 4 97 - 4 - HG13 ILE 5 - HG3 GLU 37 lone 3 77 - 3 - Peak 9369 from cnoeabs.peaks (0.75, 2.73, 36.55 ppm; 5.57 A): 3 out of 11 assignments used, quality = 0.96: QG2 VAL 32 + HG3 GLU 37 OK 86 90 - 96 - 4.4/9354=25, 9301/1.8=23...(19) QD1 LEU 63 + HG3 GLU 37 OK 54 90 - 61 - 2.1/9681=11, 9364/3.0=9...(13) QD2 LEU 14 + HG3 GLU 37 OK 31 90 - 34 - 2.1/9368=7, 3.1/10771=5...(9) QG1 VAL 107 - HG3 GLU 37 OK 17 90 - 19 - 2.1/11672=5, ~9365=3...(6) QD1 LEU 45 - HG3 GLU 37 OK 15 100 - 15 - 2.1/9438=4, 9439=3...(5) QG2 ILE 7 - HG3 GLU 37 OK 14 96 - 15 - 9364/3.0=3, 9366/3.0=3...(5) QD2 LEU 6 - HG3 GLU 37 OK 11 70 - 15 - 9360/4.9=4, 9364/3.0=3...(5) QD1 ILE 15 - HG3 GLU 37 poor 9 87 - 10 - 3.0/9368=2, ~9363=2...(4) QD1 ILE 7 - HG3 GLU 37 lone 7 77 - 9 - 11584/9368=2, ~9364=2...(4) QG2 ILE 54 - HG3 GLU 37 lone 7 98 - 7 - 9360/4.9=1, 9364/3.0=1 QD2 LEU 55 - HG3 GLU 37 lone 4 73 - 5 - 9360/4.9=1 Peak 9370 from cnoeabs.peaks (4.24, 2.73, 36.55 ppm; 5.39 A): 3 out of 5 assignments used, quality = 0.93: HA VAL 32 + HG3 GLU 37 OK 89 94 - 95 - 9292/3.0=30, 9291/3.0=29...(17) HA LEU 74 + HG3 GLU 37 OK 23 87 - 27 - 2.9/9355=7, 9372/3.0=7...(5) HA GLU 47 + HG3 GLU 37 OK 20 90 - 23 - 9373/3.0=7, 9372/3.0=6...(5) HA ALA 46 - HG3 GLU 37 lone 6 84 - 7 - 9373/3.0=1, 9374/1.8=1 HA GLU 52 - HG3 GLU 37 lone 1 61 - 2 - Peak 9372 from cnoeabs.peaks (4.23, 2.27, 29.72 ppm; 4.50 A): 3 out of 5 assignments used, quality = 0.79: HA VAL 32 + HB2 GLU 37 OK 68 77 - 89 - 9292=26, 3.6/9351=23...(17) HA LEU 74 + HB2 GLU 37 OK 19 98 - 19 - 2.9/9357=5, 9373/1.8=4...(5) HA GLU 47 + HB2 GLU 37 OK 17 70 - 25 - 9373/1.8=6, 9370/3.0=3...(9) HB THR 108 - HB2 GLU 37 lone 4 77 - 6 - ~11122=2, ~10330=2 HA ALA 46 - HB2 GLU 37 lone 3 61 - 5 - 9373/1.8=1, 9370/3.0=1 Peak 9373 from cnoeabs.peaks (4.24, 2.17, 29.72 ppm; 4.45 A): 4 out of 10 assignments used, quality = 0.92: HA VAL 32 + HB3 GLU 37 OK 86 94 - 92 - 9291=29, 9292/1.8=29...(18) HA GLU 47 + HB3 GLU 37 OK 22 90 - 25 - 9372/1.8=6, 11322/3.8=4...(9) HA LEU 74 + HB3 GLU 37 OK 17 87 - 19 - 9372/1.8=6, 9374/3.0=4...(5) HA VAL 32 + HB2 GLU 98 OK 11 50 - 22 - 9291=5, 3.6/9305=4...(9) HA ALA 46 - HB3 GLU 37 lone 5 84 - 5 - 9372/1.8=1, 9370/3.0=1 HA GLU 52 - HB3 GLU 37 lone 1 61 - 1 - HA GLU 47 - HB2 GLU 98 lone 1 46 - 2 - HA ALA 46 - HB2 GLU 98 lone 1 42 - 1 - HA LEU 74 - HB2 GLU 98 lone 0 44 - 1 - HA GLU 52 - HB2 GLU 98 lone 0 29 - 1 - Peak 9374 from cnoeabs.peaks (4.23, 2.44, 36.55 ppm; 5.05 A): 4 out of 10 assignments used, quality = 0.84: HA VAL 32 + HG2 GLU 37 OK 71 77 - 93 - 9372/3.0=23, 3.2/9301=22...(17) HA LEU 74 + HG2 GLU 37 OK 22 98 - 23 - 9372/3.0=6, 9370/1.8=6...(5) HA VAL 32 + HG3 GLU 98 OK 17 65 - 26 - 3.6/9353=5, 3.2/9298=5...(7) HA GLU 47 + HG2 GLU 37 OK 14 70 - 21 - 9372/3.0=6, 9373/3.0=6...(5) HB THR 108 - HG3 GLU 98 lone 5 65 - 7 - ~11122=2, ~10325=2...(4) HB THR 108 - HG2 GLU 37 lone 4 77 - 5 - ~11122=2, 9372/3.0=2 HA ALA 46 - HG2 GLU 37 lone 4 61 - 7 - 9370/1.8=2, 9373/3.0=1 HA GLU 47 - HG3 GLU 98 lone 2 58 - 3 - HA LEU 74 - HG3 GLU 98 lone 1 88 - 2 - HA ALA 46 - HG3 GLU 98 lone 1 51 - 2 - Peak 9375 from cnoeabs.peaks (0.75, 3.91, 59.13 ppm; 3.94 A): 6 out of 11 assignments used, quality = 0.92: QG2 VAL 32 + HA LEU 38 OK 71 90 - 79 - 2.1/9288=30, 9289=26...(10) QD1 LEU 63 + HA LEU 38 OK 51 90 - 57 - 2.1/9680=14, ~10957=12...(11) QD2 LEU 6 + HA LEU 38 OK 20 70 - 30 - 2.1/3520=6, 10986/3.0=6...(12) QG2 ILE 7 + HA LEU 38 OK 13 96 - 14 - 11583/11003=3...(4) QD1 LEU 45 + HA LEU 38 OK 12 100 - 12 - 9414/8054=2, 11526/2.9=2...(5) QD2 LEU 14 + HA LEU 38 OK 10 90 - 11 - 2.1/11003=3, 11007/2.9=2...(5) QG1 VAL 107 - HA LEU 38 lone 9 90 - 10 - 2.1/11003=3, ~11505=2...(4) QD1 ILE 7 - HA LEU 38 poor 9 77 - 11 - 11584/9288=3...(4) QG2 ILE 54 - HA LEU 38 lone 8 98 - 8 - 11708/3.8=2, 10986/3.0=1 QD2 LEU 55 - HA LEU 38 lone 3 73 - 4 - 10986/3.0=1 QD1 ILE 15 - HA LEU 38 lone 2 87 - 3 - Peak 9376 from cnoeabs.peaks (3.83, 1.52, 27.18 ppm; 4.79 A): 1 out of 4 assignments used, quality = 0.76: HA LYS 39 + HG LEU 38 OK 76 92 - 83 - 9380/2.1=38, 3.0/7469=19...(13) HA LYS 16 - HG LEU 38 lone 7 87 - 9 - 9380/2.1=3, 11043/9378=1 HA2 GLY 75 - HG LEU 38 lone 5 99 - 5 - 9380/2.1=2, 11043/9378=1 HA2 GLY 26 - HG LEU 38 lone 2 73 - 3 - Peak 9377 from cnoeabs.peaks (4.04, 1.52, 27.18 ppm; 5.62 A): 4 out of 13 assignments used, quality = 0.93: HA SER 35 + HG LEU 38 OK 80 96 - 84 - 8029/3.0=32, 8031/3.0=24...(9) HA GLU 66 + HG LEU 38 OK 35 87 - 40 - ~9696=13, 10996/2.1=9...(5) HA GLU 87 + HG LEU 38 OK 28 100 - 28 - 10054/2.1=6, ~10056=6...(7) HA LYS 40 + HG LEU 38 OK 21 73 - 28 - ~9392=17, ~222=7...(4) HB3 SER 126 - HG LEU 38 OK 15 96 - 15 - ~10644=5, 10644/2.1=3...(6) HA GLU 69 - HG LEU 38 OK 13 70 - 19 - ~11001=4, 2.9/11231=3...(7) HB2 SER 126 - HG LEU 38 OK 13 77 - 16 - 10644/2.1=4, ~10644=3...(8) HA LYS 123 - HG LEU 38 poor 9 84 - 11 - ~10998=3, ~9386=2...(4) HA2 GLY 125 - HG LEU 38 lone 7 81 - 8 - 11035/2.1=1, 3.6/10640=1...(4) HA GLU 92 - HG LEU 38 lone 6 98 - 6 - 11035/2.1=1 HA GLU 119 - HG LEU 38 lone 3 90 - 4 - HA PHE 120 - HG LEU 38 lone 3 73 - 4 - 10557=1 HA GLU 13 - HG LEU 38 lone 2 87 - 2 - Peak 9378 from cnoeabs.peaks (2.75, 1.52, 27.18 ppm; 4.82 A): 2 out of 5 assignments used, quality = 0.86: HG3 MET 42 + HG LEU 38 OK 80 92 - 88 - 10993/2.1=31...(16) HB3 TYR 102 + HG LEU 38 OK 27 100 - 27 - 11670/2.1=9, 10993/2.1=8...(4) HB2 ASP 60 - HG LEU 38 lone 5 73 - 7 - ~10991=3, 10993/2.1=2 HB3 ASN 11 - HG LEU 38 lone 3 97 - 3 - HE2 LYS 2 - HG LEU 38 lone 2 97 - 2 - 10993/2.1=1 Peak 9379 from cnoeabs.peaks (2.66, 1.52, 27.18 ppm; 5.05 A): 2 out of 8 assignments used, quality = 0.96: HG2 MET 42 + HG LEU 38 OK 93 100 - 93 - 1.8/9378=29...(17) HB3 ASP 84 + HG LEU 38 OK 46 98 - 47 - ~10994=15, 10992/2.1=12...(7) HB3 ASP 36 - HG LEU 38 lone 6 99 - 6 - 10992/2.1=3, 11036/9376=2 HB2 TYR 76 - HG LEU 38 lone 4 98 - 4 - ~4615=2, 10992/2.1=1 HB2 TYR 27 - HG LEU 38 lone 4 99 - 4 - HE3 LYS 61 - HG LEU 38 lone 1 73 - 1 - HB2 ASP 12 - HG LEU 38 lone 1 73 - 1 - HB3 ASP 12 - HG LEU 38 lone 1 73 - 1 - Peak 9380 from cnoeabs.peaks (3.84, 0.89, 25.56 ppm; 4.08 A): 1 out of 3 assignments used, quality = 0.80: HA LYS 39 + QD2 LEU 38 OK 80 99 - 81 - 9390=24, 9376/2.1=22...(15) HA LYS 16 - QD2 LEU 38 lone 6 98 - 7 - 9376/2.1=2 HA2 GLY 75 - QD2 LEU 38 lone 4 100 - 4 - 9376/2.1=1 Peak 9384 from cnoeabs.peaks (2.38, 0.89, 25.56 ppm; 4.52 A): 3 out of 6 assignments used, quality = 0.83: HG2 GLU 66 + QD2 LEU 38 OK 57 87 - 66 - 1.8/11067=24, 11064=19...(10) HG3 MET 67 + QD2 LEU 38 OK 55 73 - 75 - ~10991=23, ~9711=17...(16) HG2 GLU 98 + QD2 LEU 38 OK 10 100 - 10 - 3.0/11404=3, 4.1/10161=2 HB3 TYR 27 - QD2 LEU 38 lone 4 97 - 4 - HG2 GLN 25 - QD2 LEU 38 lone 2 99 - 2 - HG2 GLU 13 - QD2 LEU 38 lone 1 65 - 1 - Peak 9385 from cnoeabs.peaks (2.18, 0.89, 25.56 ppm; 3.40 A): 6 out of 8 assignments used, quality = 0.91: HG3 GLU 66 + QD2 LEU 38 OK 56 98 - 58 - 11067=23, 1.8/11064=15...(11) HB2 MET 42 + QD2 LEU 38 OK 54 92 - 58 - 10989/2.1=9, ~10993=8...(16) HB3 GLU 37 + QD2 LEU 38 OK 28 98 - 28 - 4.7/1237=10, 3.8/9359=5...(8) HB2 GLN 85 + QD2 LEU 38 OK 19 96 - 20 - 11404=4, 4.0/10029=3...(10) HB3 MET 1 + QD2 LEU 38 OK 14 70 - 21 - 3.0/10994=5, ~10877=4...(7) HB2 GLU 98 + QD2 LEU 38 OK 10 100 - 10 - 11404=2, 2.9/10161=2...(5) HB2 GLN 62 - QD2 LEU 38 lone 7 81 - 8 - 4.6/9671=3 HB3 GLN 62 - QD2 LEU 38 lone 7 81 - 8 - 4.6/9671=3 Peak 9386 from cnoeabs.peaks (8.38, 0.89, 25.56 ppm; 4.64 A): 2 out of 6 assignments used, quality = 0.85: H MET 67 + QD2 LEU 38 OK 68 92 - 74 - 9699/2.1=22...(13) H ASP 36 + QD2 LEU 38 OK 54 99 - 54 - 2025/4.4=15...(8) H LYS 123 - QD2 LEU 38 poor 9 73 - 13 - 3.6/11527=2, 10998/2.1=2...(5) H PHE 79 - QD2 LEU 38 lone 8 92 - 9 - 4.1/10988=3, 4.6/7470=2 H ASP 31 - QD2 LEU 38 lone 5 97 - 5 - 2030/4.4=1 H ASN 11 - QD2 LEU 38 lone 1 65 - 1 - Peak 9390 from cnoeabs.peaks (0.88, 3.84, 59.87 ppm; 3.67 A): 2 out of 10 assignments used, quality = 0.69: QD2 LEU 38 + HA LYS 39 OK 63 87 - 72 - 9380=26, 2.1/9376=16...(15) QG1 VAL 32 + HA LYS 39 OK 17 92 - 19 - 9279/3.0=8, ~9281=5...(5) QG2 VAL 104 - HA LYS 39 lone 9 97 - 9 - 9392/3.6=2, 216/3.0=2 QD2 LEU 90 - HA LYS 39 lone 8 99 - 8 - 9392/3.6=2, 216/3.0=2 QG2 VAL 29 - HA LYS 39 lone 4 61 - 7 - 4.0/8056=2 QG2 VAL 107 - HA LYS 39 lone 3 94 - 3 - QG2 VAL 117 - HA LYS 39 lone 1 87 - 1 - HG13 ILE 57 - HA LYS 39 lone 1 65 - 1 - QG2 THR 9 - HA LYS 39 lone 1 81 - 1 - QD1 LEU 14 - HA LYS 39 lone 0 65 - 1 - Peak 9396 from cnoeabs.peaks (1.69, 4.26, 58.07 ppm; 4.44 A): 10 out of 24 assignments used, quality = 0.92: HD2 LYS 44 + HA GLU 41 OK 40 96 - 41 - 6.4/8070=14, 2.9/9397=12...(6) HD3 LYS 44 + HA GLU 41 OK 38 92 - 41 - 6.4/8070=14, 2.9/9397=12...(6) HD2 LYS 40 + HA GLU 41 OK 29 90 - 32 - ~233=10, 7486/3.0=7...(5) HD3 LYS 40 + HA GLU 41 OK 28 87 - 32 - ~233=10, 7486/3.0=7...(5) HD3 LYS 43 + HA GLU 41 OK 18 94 - 19 - 5.9/2053=7, 3.8/8071=5...(6) HD2 LYS 43 + HA GLU 41 OK 15 81 - 18 - 5.9/2053=7, 3.8/8071=5...(5) HD3 LYS 16 + HA GLU 41 OK 14 99 - 14 - 7486/3.0=3, ~233=3...(5) HD3 LYS 96 + HA GLU 41 OK 13 92 - 14 - 3.0/9397=4, 3.4/8073=3...(6) HD2 LYS 16 + HA GLU 41 OK 13 97 - 14 - 7486/3.0=3, ~233=3...(5) HD2 LYS 96 + HA GLU 41 OK 11 87 - 13 - 3.0/9397=4, 3.4/8073=3...(5) HB ILE 54 - HA GLU 41 poor 10 90 - 11 - 2.1/9398=4, ~9394=3...(4) HG3 LYS 39 - HA GLU 41 lone 8 98 - 9 - ~1261=2, ~1262=2, ~231=2 HG3 LYS 123 - HA GLU 41 lone 5 98 - 6 - 1.8/9397=2 HD2 LYS 73 - HA GLU 41 lone 4 96 - 4 - 3.0/9397=1 HD3 LYS 73 - HA GLU 41 lone 4 94 - 4 - 3.0/9397=1 HB ILE 56 - HA GLU 41 lone 4 99 - 4 - ~11249=2, ~11236=2 HD3 LYS 39 - HA GLU 41 lone 4 87 - 4 - HD2 LYS 39 - HA GLU 41 lone 4 84 - 4 - HD2 LYS 20 - HA GLU 41 lone 3 99 - 3 - HD3 LYS 20 - HA GLU 41 lone 3 98 - 3 - HG3 ARG 95 - HA GLU 41 lone 2 70 - 3 - HD2 LYS 17 - HA GLU 41 lone 2 87 - 2 - HG12 ILE 71 - HA GLU 41 lone 2 100 - 2 - HG LEU 74 - HA GLU 41 lone 1 90 - 1 - Peak 9397 from cnoeabs.peaks (1.58, 4.26, 58.07 ppm; 5.61 A): 2 out of 12 assignments used, quality = 0.63: HG2 LYS 44 + HA GLU 41 OK 55 100 - 55 - 4.9/8070=32, 2.9/8071=11...(6) HG3 LYS 96 + HA GLU 41 OK 18 84 - 22 - 1286/8070=5, ~230=5...(7) HG2 LYS 123 - HA GLU 41 lone 7 96 - 8 - 1286/8070=1 HG2 LYS 73 - HA GLU 41 lone 5 81 - 7 - 1286/8070=1 HG LEU 55 - HA GLU 41 lone 4 70 - 6 - ~9394=2, ~9400=1, ~11236=1 HG12 ILE 116 - HA GLU 41 lone 2 100 - 2 - HG LEU 68 - HA GLU 41 lone 2 99 - 2 - HB3 LEU 70 - HA GLU 41 lone 2 84 - 2 - HD3 LYS 19 - HA GLU 41 lone 2 90 - 2 - HD2 LYS 19 - HA GLU 41 lone 2 90 - 2 - HG3 LYS 19 - HA GLU 41 lone 2 84 - 2 - HG LEU 82 - HA GLU 41 lone 1 77 - 2 - Peak 9398 from cnoeabs.peaks (0.76, 4.26, 58.07 ppm; 4.90 A): 6 out of 11 assignments used, quality = 0.78: QD1 LEU 45 + HA GLU 41 OK 37 99 - 37 - 9414/3.6=11, 4.7/2066=8...(9) QG2 VAL 32 + HA GLU 41 OK 32 99 - 32 - 9302/4.2=18, 9301/4.2=8...(4) QG2 ILE 54 + HA GLU 41 OK 19 87 - 21 - 9394/3.0=5, 9399/4.2=4...(8) QD1 ILE 15 + HA GLU 41 OK 17 98 - 17 - 2.1/10912=3, 3.0/9178=3...(7) QD1 LEU 63 + HA GLU 41 OK 13 70 - 19 - 9394/3.0=5, 9399/4.2=3...(7) QG2 ILE 7 + HA GLU 41 OK 13 81 - 16 - 9394/3.0=4, 9399/4.2=3...(7) QD1 ILE 7 - HA GLU 41 lone 7 94 - 8 - ~9394=2, 9399/4.2=2, ~9400=1 QD2 LEU 14 - HA GLU 41 lone 7 99 - 7 - 9414/3.6=2, 4.3/1974=1 QG1 VAL 107 - HA GLU 41 lone 3 99 - 3 - QD1 LEU 80 - HA GLU 41 lone 1 70 - 1 - QD2 LEU 80 - HA GLU 41 lone 1 65 - 1 - Peak 9399 from cnoeabs.peaks (0.75, 2.13, 34.90 ppm; 3.18 A): 2 out of 11 assignments used, quality = 0.50: QG2 VAL 32 + HG2 GLU 41 OK 43 92 - 47 - 2.1/9300=25, 9302=17...(7) QD1 LEU 45 + HG2 GLU 41 OK 13 100 - 13 - 9401/1.8=3, 9398/4.2=3...(6) QG2 ILE 54 - HG2 GLU 41 lone 9 97 - 9 - 9401/1.8=3, 9394/4.9=1...(5) QG2 ILE 7 - HG2 GLU 41 lone 9 94 - 9 - 9401/1.8=3, 11583/9300=3 QD1 LEU 63 - HG2 GLU 41 lone 8 87 - 10 - 9401/1.8=3, 2.1/9684=2...(5) QD1 ILE 7 - HG2 GLU 41 lone 5 81 - 6 - 11584/9300=3, ~9401=2 QD2 LEU 55 - HG2 GLU 41 lone 3 70 - 4 - 9401/1.8=1 QD1 ILE 15 - HG2 GLU 41 lone 2 90 - 2 - 9398/4.2=1 QD2 LEU 6 - HG2 GLU 41 lone 1 65 - 2 - QD2 LEU 14 - HG2 GLU 41 lone 1 92 - 1 - QG1 VAL 107 - HG2 GLU 41 lone 1 92 - 1 - Peak 9400 from cnoeabs.peaks (0.74, 1.95, 28.25 ppm; 4.25 A): 10 out of 18 assignments used, quality = 0.85: QD1 LEU 45 + HB3 GLU 41 OK 22 87 - 26 - 9414/4.7=6, 9401/3.0=6...(6) QD1 LEU 45 + HB2 GLU 41 OK 22 87 - 26 - 9414/4.7=6, 9401/3.0=6...(6) QG2 ILE 54 + HB3 GLU 41 OK 20 99 - 21 - 9401/3.0=6, 9394/4.0=3...(7) QG2 ILE 54 + HB2 GLU 41 OK 20 99 - 21 - 9401/3.0=6, 9394/4.0=3...(7) QD1 LEU 63 + HB3 GLU 41 OK 17 100 - 17 - 9401/3.0=6, 9394/4.0=3...(6) QD1 LEU 63 + HB2 GLU 41 OK 17 100 - 17 - 9401/3.0=6, 9394/4.0=3...(6) QG2 ILE 7 + HB3 GLU 41 OK 15 100 - 15 - 9401/3.0=5, 9399/3.0=3...(5) QG2 ILE 7 + HB2 GLU 41 OK 15 100 - 15 - 9401/3.0=5, 9399/3.0=3...(5) QD2 LEU 45 + HB3 GLU 41 OK 11 70 - 15 - ~9398=4, ~9401=4...(4) QD2 LEU 45 + HB2 GLU 41 OK 10 69 - 15 - ~9398=4, ~9401=4...(4) QD2 LEU 55 - HB3 GLU 41 lone 9 98 - 9 - 9401/3.0=3, 9394/4.0=1 QD2 LEU 55 - HB2 GLU 41 lone 9 98 - 9 - 9401/3.0=3, 9394/4.0=1 QD2 LEU 6 - HB3 GLU 41 lone 5 97 - 5 - 9401/3.0=2 QD2 LEU 6 - HB2 GLU 41 lone 5 97 - 5 - 9401/3.0=2 HG13 ILE 18 - HB2 GLU 41 lone 3 84 - 4 - HG13 ILE 18 - HB3 GLU 41 lone 3 84 - 4 - QG2 VAL 78 - HB2 GLU 41 lone 1 69 - 1 - QG2 VAL 78 - HB3 GLU 41 lone 1 70 - 1 - Peak 9401 from cnoeabs.peaks (0.74, 2.46, 34.90 ppm; 4.11 A): 4 out of 9 assignments used, quality = 0.48: QD1 LEU 45 + HG3 GLU 41 OK 16 87 - 19 - 9399/1.8=5, 9394/4.9=4...(6) QD1 LEU 63 + HG3 GLU 41 OK 16 100 - 16 - 9399/1.8=3, 9394/4.9=3...(5) QG2 ILE 54 + HG3 GLU 41 OK 15 99 - 15 - 9399/1.8=4, 9400/3.0=3...(6) QG2 ILE 7 + HG3 GLU 41 OK 13 100 - 13 - 9399/1.8=3, 9400/3.0=2...(5) QD2 LEU 55 - HG3 GLU 41 lone 7 98 - 7 - 9400/3.0=1, 9400/3.0=1...(4) QD2 LEU 45 - HG3 GLU 41 lone 6 70 - 9 - ~9399=4, ~9400=2...(4) QD2 LEU 6 - HG3 GLU 41 lone 4 97 - 4 - HG13 ILE 18 - HG3 GLU 41 lone 2 84 - 3 - QG2 VAL 78 - HG3 GLU 41 lone 1 70 - 1 - Peak 9402 from cnoeabs.peaks (0.66, 2.46, 34.90 ppm; 5.64 A): 0 out of 5 assignments used, low quality = 0.24: QD1 ILE 56 - HG3 GLU 41 OK 13 100 - 13 - 11249/3.0=5, 11249/3.0=4 QD2 LEU 114 - HG3 GLU 41 OK 13 92 - 14 - 10446/3.0=6, 10446/3.0=6 QD1 ILE 71 - HG3 GLU 41 lone 5 98 - 5 - 11236/3.0=1, 11236/3.0=1 QD2 LEU 4 - HG3 GLU 41 lone 3 65 - 4 - 11236/3.0=1, 11236/3.0=1 QD1 LEU 4 - HG3 GLU 41 lone 2 65 - 3 - Peak 9403 from cnoeabs.peaks (3.96, 2.13, 34.90 ppm; 5.18 A): 0 out of 4 assignments used, low quality = 0.18: HB3 SER 35 - HG2 GLU 41 OK 18 97 - 19 - ~9404=9, ~8053=4...(4) HA ILE 97 - HG2 GLU 41 lone 3 65 - 4 - ~10117=1 HA MET 67 - HG2 GLU 41 lone 2 96 - 2 - HA GLU 21 - HG2 GLU 41 lone 1 97 - 1 - Peak 9404 from cnoeabs.peaks (3.92, 2.46, 34.90 ppm; 6.20 A): 3 out of 5 assignments used, quality = 0.78: HA LEU 38 + HG3 GLU 41 OK 52 97 - 54 - 8049/4.9=28, 8053/3.0=11...(8) HB2 SER 35 + HG3 GLU 41 OK 48 100 - 48 - ~9403=31, 2045/4.9=7...(6) HA GLU 128 + HG3 GLU 41 OK 11 92 - 11 - 2045/4.9=3, 8051/3.0=2...(4) HA LEU 64 - HG3 GLU 41 poor 9 90 - 10 - 2045/4.9=3, 8053/3.0=1...(4) HA MET 121 - HG3 GLU 41 lone 2 84 - 2 - Peak 9405 from cnoeabs.peaks (8.60, 1.87, 17.86 ppm; 6.01 A): 4 out of 8 assignments used, quality = 0.94: H ILE 71 + QE MET 42 OK 86 100 - 86 - 3.0/9426=38...(14) H LYS 94 + QE MET 42 OK 31 99 - 31 - 10097=11, 6.3/9428=6...(8) H LEU 80 + QE MET 42 OK 24 100 - 24 - 4.6/9409=9, 4.5/11685=4...(5) H ALA 124 + QE MET 42 OK 18 100 - 18 - 8143/9424=3...(7) H GLN 85 - QE MET 42 lone 7 73 - 9 - 5.0/9427=2, 5.0/9427=2 H THR 108 - QE MET 42 lone 6 100 - 6 - 4.2/9431=2 H LYS 49 - QE MET 42 lone 5 98 - 5 - 3.6/3804=1 H ASP 12 - QE MET 42 lone 2 77 - 3 - Peak 9407 from cnoeabs.peaks (7.73, 1.87, 17.86 ppm; 6.20 A): 3 out of 4 assignments used, quality = 0.71: H LEU 70 + QE MET 42 OK 50 92 - 54 - 4.6/9405=15, 4.8/9430=13...(12) H LYS 73 + QE MET 42 OK 30 99 - 30 - 2124/9426=13...(8) H GLU 47 + QE MET 42 OK 17 81 - 21 - 3.7/9428=12, 8162/9426=1...(5) H LEU 114 - QE MET 42 lone 5 73 - 6 - 4.5/9432=2, 4.5/11530=1 Peak 9409 from cnoeabs.peaks (6.71, 1.87, 17.86 ppm; 6.20 A): 3 out of 3 assignments used, quality = 0.63: QE TYR 76 + QE MET 42 OK 39 99 - 39 - 9799/11530=7...(11) QD PHE 79 + QE MET 42 OK 26 94 - 28 - 2.4/11685=5, 3.8/4664=5...(9) QE TYR 102 + QE MET 42 OK 17 99 - 17 - 9801/11630=2...(6) Peak 9415 from cnoeabs.peaks (0.87, 4.38, 57.05 ppm; 5.01 A): 0 out of 10 assignments used, low quality = 0.31: QD2 LEU 38 - HA MET 42 OK 31 70 - 45 - ~9412=17, 9419/3.0=14...(5) QD1 LEU 14 - HA MET 42 poor 9 84 - 10 - 3.1/8080=3, ~9411=2...(5) QD2 LEU 90 - HA MET 42 lone 8 92 - 8 - 9419/3.0=3, ~9413=2 QG1 VAL 32 - HA MET 42 lone 7 99 - 7 - ~9414=2, 9419/3.0=2, ~9418=1 QG2 VAL 104 - HA MET 42 lone 5 87 - 5 - 9419/3.0=2 QG2 VAL 107 - HA MET 42 lone 4 99 - 4 - 9419/3.0=1 QG2 THR 9 - HA MET 42 lone 3 94 - 3 - QG2 VAL 117 - HA MET 42 lone 2 97 - 2 - HG13 ILE 57 - HA MET 42 lone 1 84 - 1 - QG2 VAL 22 - HA MET 42 lone 1 65 - 2 - Peak 9416 from cnoeabs.peaks (0.74, 4.38, 57.05 ppm; 4.22 A): 3 out of 9 assignments used, quality = 0.87: QD1 LEU 45 + HA MET 42 OK 70 87 - 80 - 9435=30, 3.1/8079=19...(12) QD2 LEU 45 + HA MET 42 OK 53 70 - 76 - 2.1/9435=27, 3.1/8079=19...(11) QD1 LEU 63 + HA MET 42 OK 12 100 - 12 - 9414/3.0=2, 9435=2...(6) QG2 ILE 54 - HA MET 42 lone 7 99 - 8 - 9414/3.0=3, 9418/3.0=2 QG2 ILE 7 - HA MET 42 lone 5 100 - 5 - 9414/3.0=2 QD2 LEU 55 - HA MET 42 lone 3 98 - 3 - 9527/3.0=2 HG13 ILE 18 - HA MET 42 lone 2 84 - 3 - QD2 LEU 6 - HA MET 42 lone 2 97 - 2 - QG2 VAL 78 - HA MET 42 lone 2 70 - 2 - Peak 9417 from cnoeabs.peaks (0.89, 2.19, 31.25 ppm; 5.28 A): 3 out of 7 assignments used, quality = 0.98: QD2 LEU 38 + HB2 MET 42 OK 89 100 - 89 - ~10993=21, ~11531=21...(16) QD2 LEU 70 + HB2 MET 42 OK 65 77 - 84 - ~11368=31, ~11369=28...(12) QD1 LEU 70 + HB2 MET 42 OK 51 65 - 78 - 11368/3.0=24, ~11367=23...(11) QD2 LEU 90 - HB2 MET 42 OK 15 98 - 15 - ~11570=4, 9419/1.8=3...(5) QG2 VAL 29 - HB2 MET 42 OK 12 96 - 12 - 4.0/162=5, 3334/3.9=2...(4) QD1 LEU 90 - HB2 MET 42 OK 11 77 - 14 - 11570/3.0=4, ~9419=3...(6) QG2 VAL 104 - HB2 MET 42 lone 8 99 - 8 - 9419/1.8=2, 9415/3.0=1 Peak 9418 from cnoeabs.peaks (0.75, 2.19, 31.25 ppm; 5.64 A): 4 out of 11 assignments used, quality = 0.89: QD1 LEU 45 + HB2 MET 42 OK 84 97 - 87 - 9435/3.0=34, ~9434=19...(11) QG2 ILE 54 + HB2 MET 42 OK 14 100 - 14 - 9414/3.9=4, 9431/4.2=4...(4) QD1 LEU 63 + HB2 MET 42 OK 14 98 - 14 - 9414/3.9=3, 9431/4.2=3...(5) QG2 VAL 32 + HB2 MET 42 OK 10 73 - 14 - 9414/3.9=4, 9431/4.2=4...(4) QD2 LEU 14 - HB2 MET 42 poor 10 73 - 13 - ~9415=4, ~8080=2...(6) QG2 ILE 7 - HB2 MET 42 lone 7 100 - 7 - 9414/3.9=2, 9431/4.2=1 QD2 LEU 55 - HB2 MET 42 lone 5 90 - 6 - 9527/3.9=2 QG1 VAL 107 - HB2 MET 42 lone 5 73 - 7 - ~9415=2, 9431/4.2=2, ~9419=1 QD2 LEU 6 - HB2 MET 42 lone 4 87 - 5 - QD1 ILE 15 - HB2 MET 42 lone 3 70 - 4 - 9414/3.9=1 HG13 ILE 18 - HB2 MET 42 lone 1 65 - 2 - Peak 9419 from cnoeabs.peaks (0.88, 1.95, 31.25 ppm; 5.85 A): 4 out of 10 assignments used, quality = 0.86: QD2 LEU 38 + HB3 MET 42 OK 78 87 - 90 - ~10993=25, ~11531=24...(16) QD2 LEU 90 + HB3 MET 42 OK 19 99 - 18 - ~11570=5, 9415/3.0=5...(6) QG1 VAL 32 + HB3 MET 42 OK 10 92 - 11 - 9415/3.0=4, ~9418=2...(4) QG2 VAL 104 + HB3 MET 42 OK 10 97 - 10 - 9415/3.0=3, 9417/1.8=1...(4) QD1 LEU 14 - HB3 MET 42 poor 8 65 - 13 - 9415/3.0=5, ~8080=3...(4) QG2 VAL 29 - HB3 MET 42 poor 7 61 - 11 - 4.0/1188=5, 9417/1.8=2 QG2 VAL 107 - HB3 MET 42 lone 6 94 - 6 - 9415/3.0=3, ~9418=1 QG2 THR 9 - HB3 MET 42 lone 3 81 - 3 - 9415/3.0=2 QG2 VAL 117 - HB3 MET 42 lone 3 87 - 3 - HG13 ILE 57 - HB3 MET 42 lone 2 65 - 3 - Peak 9420 from cnoeabs.peaks (1.52, 2.66, 32.47 ppm; 5.41 A): 1 out of 11 assignments used, quality = 0.95: HG LEU 38 + HG2 MET 42 OK 95 100 - 95 - 9378/1.8=32, 9379=30...(17) HG2 LYS 43 - HG2 MET 42 OK 28 99 - 28 - 4.9/248=21, 9422/1.8=6 HD3 LYS 94 - HG2 MET 42 poor 10 61 - 16 - ~9428=6, 9422/1.8=3...(4) HD2 LYS 94 - HG2 MET 42 poor 10 61 - 16 - ~9428=6, 9422/1.8=3...(4) HB2 LYS 61 - HG2 MET 42 lone 6 100 - 5 - ~9426=2, 9422/1.8=1, ~11685=1 HG2 LYS 20 - HG2 MET 42 lone 5 87 - 6 - 1276/248=3 QB ALA 124 - HG2 MET 42 lone 5 81 - 6 - ~9405=2 HG LEU 6 - HG2 MET 42 lone 4 100 - 4 - HB2 LEU 6 - HG2 MET 42 lone 4 92 - 4 - HB3 ARG 30 - HG2 MET 42 lone 3 99 - 3 - HD3 LYS 17 - HG2 MET 42 lone 2 100 - 2 - Peak 9421 from cnoeabs.peaks (0.90, 2.66, 32.47 ppm; 4.20 A): 3 out of 6 assignments used, quality = 0.99: QD1 LEU 70 + HG2 MET 42 OK 84 100 - 85 - 11368=47, 11369/1.8=38...(10) QD2 LEU 70 + HG2 MET 42 OK 81 100 - 81 - 2.1/11368=40, ~11369=25...(11) QD2 LEU 38 + HG2 MET 42 OK 63 77 - 82 - 2.1/10992=19, ~10993=18...(15) QD1 LEU 90 - HG2 MET 42 OK 14 100 - 14 - 11570=6, 9423/1.8=2...(5) QG2 VAL 29 - HG2 MET 42 lone 9 96 - 9 - 4.0/3789=4, 9423/1.8=1 HG13 ILE 54 - HG2 MET 42 lone 6 97 - 6 - ~9431=1 Peak 9422 from cnoeabs.peaks (1.52, 2.76, 32.47 ppm; 5.32 A): 1 out of 11 assignments used, quality = 0.92: HG LEU 38 + HG3 MET 42 OK 92 100 - 93 - 2.1/11531=33, 9378=30...(16) HG2 LYS 43 - HG3 MET 42 OK 24 92 - 26 - 4.9/249=19, 9420/1.8=6 HD3 LYS 94 - HG3 MET 42 OK 12 81 - 15 - ~9428=6, 9420/1.8=2...(5) HD2 LYS 94 - HG3 MET 42 OK 12 81 - 15 - ~9428=6, 9420/1.8=2...(5) HB2 LYS 61 - HG3 MET 42 lone 5 98 - 5 - ~9426=2, 9420/1.8=1, ~11685=1 HG2 LYS 20 - HG3 MET 42 lone 4 70 - 5 - 1276/249=2, 9420/1.8=1 HG LEU 6 - HG3 MET 42 lone 4 100 - 4 - HB3 ARG 30 - HG3 MET 42 lone 4 94 - 4 - 9256/11531=1 QB ALA 124 - HG3 MET 42 lone 3 61 - 5 - ~9405=2, 9420/1.8=1 HB2 LEU 6 - HG3 MET 42 lone 3 77 - 4 - HD3 LYS 17 - HG3 MET 42 lone 2 98 - 2 - Peak 9423 from cnoeabs.peaks (0.90, 2.76, 32.47 ppm; 4.05 A): 3 out of 6 assignments used, quality = 0.98: QD1 LEU 70 + HG3 MET 42 OK 83 100 - 83 - 11368/1.8=40, 11369=38...(10) QD2 LEU 70 + HG3 MET 42 OK 76 100 - 76 - 2.1/11369=29, ~11368=26...(10) QD2 LEU 38 + HG3 MET 42 OK 58 77 - 75 - 2.1/11531=23...(14) QD1 LEU 90 - HG3 MET 42 OK 11 100 - 11 - 11570/1.8=5, ~9419=2...(4) QG2 VAL 29 - HG3 MET 42 lone 8 96 - 8 - 4.0/3796=4, 9421/1.8=1 HG13 ILE 54 - HG3 MET 42 lone 6 97 - 6 - ~9431=1 Peak 9424 from cnoeabs.peaks (3.94, 1.87, 17.86 ppm; 4.73 A): 0 out of 4 assignments used, low quality = 0.44: HA MET 67 - QE MET 42 OK 44 96 - 46 - 3.7/9427=19, 3.0/3805=8...(13) HA ILE 97 - QE MET 42 lone 7 100 - 7 - 3.2/9432=1, 9783/11630=1 HB3 SER 35 - QE MET 42 lone 6 94 - 6 - 3.0/9336=3 HA MET 121 - QE MET 42 lone 2 94 - 2 - Peak 9425 from cnoeabs.peaks (3.83, 1.87, 17.86 ppm; 6.20 A): 3 out of 4 assignments used, quality = 0.69: HA LYS 39 + QE MET 42 OK 50 77 - 65 - 8057/4.2=20...(8) HA2 GLY 75 + QE MET 42 OK 23 92 - 25 - 11044/3.3=8, 11043/3.3=7...(5) HA LYS 16 + QE MET 42 OK 21 70 - 30 - 11044/3.3=8, 11043/3.3=8...(5) HA2 GLY 26 - QE MET 42 lone 2 90 - 3 - Peak 9426 from cnoeabs.peaks (3.74, 1.87, 17.86 ppm; 5.22 A): 1 out of 3 assignments used, quality = 0.69: HA ILE 71 + QE MET 42 OK 69 100 - 69 - 3.9/11685=25...(10) HA LYS 61 - QE MET 42 lone 6 70 - 9 - 3.6/9663=3, 4.1/11685=2 HA2 GLY 101 - QE MET 42 lone 1 70 - 2 - Peak 9427 from cnoeabs.peaks (2.40, 1.87, 17.86 ppm; 4.26 A): 0 out of 10 assignments used, low quality = 0.36: HG3 MET 67 - QE MET 42 OK 36 100 - 36 - 3.7/9424=17, 3.0/3805=7...(8) HG2 GLU 66 - QE MET 42 poor 10 97 - 10 - 1.8/3805=3...(4) HG3 GLN 85 - QE MET 42 lone 3 97 - 3 - HG2 GLN 85 - QE MET 42 lone 3 94 - 3 - HG3 GLN 62 - QE MET 42 lone 2 81 - 3 - 5.2/9663=1 HG2 GLN 62 - QE MET 42 lone 2 77 - 3 - 5.2/9663=1 HG2 GLN 122 - QE MET 42 lone 2 96 - 2 - HG2 GLU 91 - QE MET 42 lone 1 61 - 1 - HB2 ASP 110 - QE MET 42 lone 1 65 - 1 - HG2 GLN 25 - QE MET 42 lone 1 77 - 1 - Peak 9428 from cnoeabs.peaks (1.54, 1.87, 17.86 ppm; 3.60 A): 0 out of 9 assignments used, low quality = 0.00: QB ALA 46 - QE MET 42 lone 7 99 - 7 - 9461/11530=2, 3.7/9407=2 HD2 LYS 94 - QE MET 42 lone 5 96 - 6 - 6.3/10097=2 HD3 LYS 94 - QE MET 42 lone 5 96 - 6 - 6.3/10097=2 HG12 ILE 3 - QE MET 42 lone 4 73 - 5 - 2.1/11532=4 HB VAL 78 - QE MET 42 lone 3 87 - 3 - HG2 LYS 65 - QE MET 42 lone 1 99 - 1 - HD2 LYS 106 - QE MET 42 lone 1 73 - 2 - HD3 LYS 106 - QE MET 42 lone 1 70 - 2 - HG2 LYS 115 - QE MET 42 lone 1 73 - 1 - Peak 9429 from cnoeabs.peaks (1.46, 1.87, 17.86 ppm; 3.91 A): 3 out of 14 assignments used, quality = 0.77: HB3 LEU 38 + QE MET 42 OK 62 100 - 63 - 3.1/11532=21...(12) HB2 LEU 74 + QE MET 42 OK 25 96 - 26 - 3.1/11277=14...(4) HG LEU 4 + QE MET 42 OK 17 97 - 18 - 2.1/10736=7, 2.1/9432=6 HG2 LYS 39 - QE MET 42 lone 8 100 - 8 - 3.8/9425=6 HG LEU 80 - QE MET 42 lone 7 70 - 9 - 2.1/9431=3, 2.1/9431=3...(4) HG2 LYS 106 - QE MET 42 lone 4 100 - 4 - 3.0/9428=1, 3.0/9428=1 HG12 ILE 7 - QE MET 42 lone 4 100 - 4 - 2.1/9431=1, 3.2/9431=1 HB3 LEU 6 - QE MET 42 lone 2 100 - 2 - HG3 ARG 30 - QE MET 42 lone 2 98 - 2 - HG2 LYS 49 - QE MET 42 lone 1 100 - 1 - HG3 LYS 49 - QE MET 42 lone 1 100 - 1 - HG12 ILE 57 - QE MET 42 lone 1 100 - 1 - HG3 LYS 20 - QE MET 42 lone 1 65 - 2 - HG2 LYS 96 - QE MET 42 lone 1 65 - 1 - Peak 9430 from cnoeabs.peaks (0.90, 1.87, 17.86 ppm; 3.29 A): 3 out of 8 assignments used, quality = 0.88: QD2 LEU 38 + QE MET 42 OK 53 92 - 58 - 2.1/11532=19, 3.1/9429=9...(13) QD1 LEU 70 + QE MET 42 OK 51 97 - 52 - 11368/3.3=19...(10) QD2 LEU 70 + QE MET 42 OK 46 99 - 46 - 11367/3.3=12, ~11368=10...(11) QD1 LEU 90 - QE MET 42 lone 6 99 - 6 - 11570/3.3=3 QG2 VAL 29 - QE MET 42 lone 6 100 - 6 - 4.0/3803=2 HG13 ILE 54 - QE MET 42 lone 4 87 - 4 - 3.2/9431=3 QD2 LEU 90 - QE MET 42 lone 3 70 - 4 - ~11570=1 QG2 VAL 104 - QE MET 42 lone 2 77 - 3 - Peak 9431 from cnoeabs.peaks (0.76, 1.87, 17.86 ppm; 3.25 A): 0 out of 11 assignments used, low quality = 0.16: QD1 LEU 45 - QE MET 42 OK 16 99 - 16 - 9435/5.4=7, 9418/4.2=4 QG2 ILE 54 - QE MET 42 lone 5 87 - 5 - QG2 VAL 32 - QE MET 42 lone 4 99 - 4 - 11526/9429=1 QD1 LEU 63 - QE MET 42 lone 4 70 - 6 - QD1 LEU 80 - QE MET 42 lone 3 70 - 5 - 2.1/9429=1 QD2 LEU 80 - QE MET 42 lone 3 65 - 4 - 2.1/9429=1 QD2 LEU 14 - QE MET 42 lone 2 99 - 2 - QG1 VAL 107 - QE MET 42 lone 2 99 - 2 - QG2 ILE 7 - QE MET 42 lone 2 81 - 2 - QD1 ILE 7 - QE MET 42 lone 1 94 - 2 - QD1 ILE 15 - QE MET 42 lone 1 98 - 1 - Peak 9432 from cnoeabs.peaks (0.67, 1.87, 17.86 ppm; 3.17 A): 3 out of 7 assignments used, quality = 0.54: QD1 ILE 71 + QE MET 42 OK 39 87 - 45 - 11630=15, 2.1/11685=12...(7) QD1 ILE 56 + QE MET 42 OK 16 99 - 16 - 9547=6, 2.1/11532=4...(5) QD2 LEU 4 + QE MET 42 OK 11 87 - 12 - 2.1/10736=5, 2.1/9429=3...(4) QD2 LEU 114 - QE MET 42 lone 3 99 - 3 - QG2 ILE 97 - QE MET 42 lone 2 73 - 3 - 3.2/9424=2 QD1 ILE 116 - QE MET 42 lone 1 81 - 1 - QD1 LEU 55 - QE MET 42 lone 0 65 - 1 - Peak 9434 from cnoeabs.peaks (4.38, 1.88, 26.77 ppm; 5.07 A): 2 out of 3 assignments used, quality = 0.92: HA MET 42 + HG LEU 45 OK 88 100 - 88 - 9435/2.1=35, 8080/3.0=27...(12) HA GLU 48 + HG LEU 45 OK 31 87 - 36 - 8079/3.0=9, 8081/3.0=9...(6) HA SER 72 - HG LEU 45 poor 10 57 - 17 - 8081/3.0=3, 8079/3.0=3...(6) Peak 9435 from cnoeabs.peaks (4.39, 0.75, 25.49 ppm; 4.19 A): 2 out of 4 assignments used, quality = 0.77: HA MET 42 + QD1 LEU 45 OK 73 96 - 76 - 8080/3.1=17, 8079/3.1=17...(12) HA GLU 48 + QD1 LEU 45 OK 15 65 - 23 - 9434/2.1=6, 8079/3.1=6...(5) HA MET 42 - QD1 LEU 63 poor 4 31 - 14 - 9416=3, 3.0/9414=2...(6) HA GLU 48 - QD1 LEU 63 lone 0 18 - 1 - Peak 9436 from cnoeabs.peaks (4.37, 0.72, 23.70 ppm; 6.20 A): 3 out of 3 assignments used, quality = 0.92: HA MET 42 + QD2 LEU 45 OK 85 94 - 90 - 8080/3.1=31, 8079/3.1=28...(12) HA GLU 48 + QD2 LEU 45 OK 37 100 - 37 - 8079/3.1=10, 8081/3.1=10...(6) HA SER 72 + QD2 LEU 45 OK 17 94 - 18 - 2065/4.7=3, 8081/3.1=3...(7) Peak 9437 from cnoeabs.peaks (2.89, 0.72, 23.70 ppm; 4.72 A): 1 out of 5 assignments used, quality = 0.46: HE3 LYS 2 + QD2 LEU 45 OK 46 99 - 47 - 1.8/11504=13, ~11222=11...(7) HE3 LYS 17 - QD2 LEU 45 lone 4 81 - 4 - 2.9/11533=1 HB3 ASN 59 - QD2 LEU 45 lone 4 73 - 5 - 9621/2.1=2, 4.6/9649=1 HB2 ASN 8 - QD2 LEU 45 lone 2 99 - 2 - HB3 ASN 88 - QD2 LEU 45 lone 1 61 - 1 - Peak 9438 from cnoeabs.peaks (2.73, 0.72, 23.70 ppm; 6.20 A): 2 out of 6 assignments used, quality = 0.47: HB3 ASN 11 + QD2 LEU 45 OK 38 92 - 42 - 9439/2.1=13, 9146/3.1=12...(7) HB2 ASP 60 + QD2 LEU 45 OK 13 100 - 13 - 9641=3, 9439/2.1=3...(4) HG3 GLU 37 - QD2 LEU 45 lone 9 98 - 9 - 9439/2.1=3, ~9364=2, ~9366=2 HB3 TYR 102 - QD2 LEU 45 lone 6 70 - 8 - 4.4/9450=4, 9439/2.1=2 HB3 ASP 109 - QD2 LEU 45 lone 3 99 - 3 - HE3 LYS 53 - QD2 LEU 45 lone 2 70 - 3 - Peak 9439 from cnoeabs.peaks (2.74, 0.75, 25.49 ppm; 4.96 A): 4 out of 12 assignments used, quality = 0.78: HB3 ASN 11 + QD1 LEU 45 OK 43 99 - 44 - 9438/2.1=13, 9148=10...(9) HE2 LYS 2 + QD1 LEU 45 OK 38 65 - 58 - ~9437=25, 1.8/9440=17...(8) HB2 ASP 60 + QD1 LEU 63 OK 31 34 - 91 - 9639/2.1=25, 9638/3.1=20...(17) HG3 GLU 37 + QD1 LEU 63 OK 12 27 - 44 - 3.0/9364=8, 3.0/9366=8...(10) HG3 GLU 37 - QD1 LEU 45 poor 10 87 - 11 - 9438/2.1=3, 3.0/9364=2...(5) HB2 ASP 60 - QD1 LEU 45 lone 9 99 - 9 - 9438/2.1=4, ~9645=2 HB3 TYR 102 - QD1 LEU 45 lone 6 90 - 6 - 4.4/9445=3, 9438/2.1=2 HB3 ASP 109 - QD1 LEU 45 lone 2 90 - 3 - HB3 ASN 11 - QD1 LEU 63 lone 2 35 - 6 - 9148=1 HB3 ASP 109 - QD1 LEU 63 lone 2 28 - 7 - 9681/2.1=2, 9676/3.1=2 HE2 LYS 2 - QD1 LEU 63 lone 2 18 - 8 - 11222/3.1=2, 11504=1...(5) HB3 TYR 102 - QD1 LEU 63 lone 1 28 - 4 - ~4690=2 Peak 9440 from cnoeabs.peaks (2.87, 0.75, 25.49 ppm; 6.20 A): 2 out of 4 assignments used, quality = 0.62: HE3 LYS 2 + QD1 LEU 45 OK 55 90 - 61 - 9437/2.1=21, ~11222=19...(6) HB3 ASN 59 + QD1 LEU 63 OK 16 36 - 44 - 9621=15, ~11262=12...(5) HB3 ASN 59 - QD1 LEU 45 lone 10 100 - 9 - 9621=4, 9437/2.1=2 HE3 LYS 2 - QD1 LEU 63 poor 3 28 - 12 - ~11222=4, 1.8/11504=3...(5) Peak 9441 from cnoeabs.peaks (6.72, 1.90, 41.77 ppm; 5.84 A): 2 out of 3 assignments used, quality = 0.97: QE TYR 76 + HB2 LEU 45 OK 94 100 - 94 - ~4611=30, ~9442=28...(13) QD PHE 79 + HB2 LEU 45 OK 55 99 - 55 - ~9448=18, 9443/1.8=14...(7) QE TYR 102 - HB2 LEU 45 OK 17 100 - 16 - 9443/1.8=4, 9445/3.1=3...(5) Peak 9442 from cnoeabs.peaks (6.84, 1.49, 41.77 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.73: QD TYR 76 + HB3 LEU 45 OK 73 77 - 94 - 9446/3.1=34, 9449/3.1=33...(17) HE22 GLN 122 - HB3 LEU 45 lone 3 92 - 3 - Peak 9443 from cnoeabs.peaks (6.71, 1.49, 41.77 ppm; 4.91 A): 3 out of 3 assignments used, quality = 0.93: QE TYR 76 + HB3 LEU 45 OK 85 99 - 86 - 2.2/4611=31, 9450/3.1=22...(10) QD PHE 79 + HB3 LEU 45 OK 45 92 - 49 - ~9448=12, 2.2/4655=11...(8) QE TYR 102 + HB3 LEU 45 OK 13 98 - 13 - 9445/3.1=3, 9450/3.1=3...(4) Peak 9445 from cnoeabs.peaks (6.71, 0.75, 25.49 ppm; 4.53 A): 3 out of 6 assignments used, quality = 0.83: QE TYR 76 + QD1 LEU 45 OK 74 92 - 80 - 2.2/9446=29, 9450/2.1=23...(12) QD PHE 79 + QD1 LEU 45 OK 28 77 - 37 - ~9448=13, 9450/2.1=10...(6) QE TYR 102 + QD1 LEU 45 OK 11 90 - 12 - 9450/2.1=3, 9443/3.1=3 QE TYR 102 - QD1 LEU 63 lone 3 28 - 9 - 4606/4.0=2, ~4690=1...(4) QE TYR 76 - QD1 LEU 63 lone 2 29 - 7 - QD PHE 79 - QD1 LEU 63 lone 1 23 - 2 - Peak 9446 from cnoeabs.peaks (6.85, 0.75, 25.49 ppm; 5.13 A): 1 out of 4 assignments used, quality = 0.92: QD TYR 76 + QD1 LEU 45 OK 92 99 - 93 - 9449/2.1=34, 4611/3.1=29...(17) QD TYR 76 - QD1 LEU 63 lone 2 34 - 7 - HE22 GLN 122 - QD1 LEU 45 lone 2 57 - 3 - HE22 GLN 122 - QD1 LEU 63 lone 0 16 - 1 - Peak 9448 from cnoeabs.peaks (7.12, 0.72, 23.70 ppm; 5.63 A): 0 out of 4 assignments used, low quality = 0.28: QE PHE 79 - QD2 LEU 45 OK 28 57 - 48 - 2.2/9450=13, ~9443=9...(9) QD PHE 51 - QD2 LEU 45 lone 7 97 - 7 - 4603/2.1=5 QE PHE 120 - QD2 LEU 45 lone 5 57 - 9 - ~4713=3, 4723/9450=1 QE PHE 93 - QD2 LEU 45 lone 1 61 - 2 - Peak 9449 from cnoeabs.peaks (6.85, 0.72, 23.70 ppm; 5.52 A): 1 out of 2 assignments used, quality = 0.92: QD TYR 76 + QD2 LEU 45 OK 92 99 - 94 - 9446/2.1=41, 4611/3.1=31...(16) HE22 GLN 122 - QD2 LEU 45 lone 2 57 - 3 - Peak 9450 from cnoeabs.peaks (6.71, 0.72, 23.70 ppm; 4.55 A): 3 out of 3 assignments used, quality = 0.87: QE TYR 76 + QD2 LEU 45 OK 78 92 - 85 - 2.2/9449=26, 9445/2.1=23...(13) QD PHE 79 + QD2 LEU 45 OK 34 77 - 44 - 2.2/9448=17, 9445/2.1=9...(7) QE TYR 102 + QD2 LEU 45 OK 11 90 - 12 - 9445/2.1=4, 9443/3.1=3...(5) Peak 9452 from cnoeabs.peaks (6.71, 1.55, 18.88 ppm; 6.20 A): 0 out of 3 assignments used, low quality = 0.13: QE TYR 76 - QB ALA 46 OK 13 92 - 15 - 9799/9461=6, 9818/9461=3...(4) QE TYR 102 - QB ALA 46 poor 10 90 - 11 - 4.4/9457=2, 4.4/10175=2...(4) QD PHE 79 - QB ALA 46 poor 8 77 - 11 - 2.4/9459=4, 9818/9461=2 Peak 9453 from cnoeabs.peaks (8.16, 1.55, 18.88 ppm; 4.96 A): 2 out of 2 assignments used, quality = 0.69: H LEU 45 + QB ALA 46 OK 58 100 - 58 - 1890/2.9=35, 2073/3.7=20...(4) H ARG 95 + QB ALA 46 OK 26 100 - 26 - 271/2.9=10, 2073/3.7=7...(5) Peak 9454 from cnoeabs.peaks (1.89, 4.25, 53.67 ppm; 5.50 A): 4 out of 20 assignments used, quality = 0.97: HG LEU 45 + HA ALA 46 OK 69 99 - 70 - ~274=19, ~276=17...(9) HB3 LYS 43 + HA ALA 46 OK 63 81 - 78 - ~8086=30, ~8084=22...(14) HB2 LEU 45 + HA ALA 46 OK 48 70 - 70 - ~274=25, ~276=13...(10) HB ILE 71 + HA ALA 46 OK 41 94 - 44 - 2.1/9455=19, ~9461=18...(5) HB3 LYS 44 - HA ALA 46 OK 22 61 - 36 - 4.7/2066=12, 4.0/2060=8...(9) HB2 LYS 20 - HA ALA 46 OK 12 100 - 12 - ~2070=3, ~8086=2, ~274=2...(5) HB3 LYS 20 - HA ALA 46 OK 12 100 - 12 - ~2070=3, ~8086=2, ~274=2...(5) HB3 LYS 73 - HA ALA 46 lone 9 97 - 9 - ~274=2, 275/3.0=1...(5) HB2 LYS 73 - HA ALA 46 lone 9 96 - 9 - ~274=2, 275/3.0=1...(5) HB2 ARG 95 - HA ALA 46 lone 9 92 - 9 - 275/3.0=2, 6023/2066=2...(4) HG2 ARG 95 - HA ALA 46 lone 8 90 - 9 - 275/3.0=3, 6039/2066=2...(4) HB2 LEU 63 - HA ALA 46 lone 7 73 - 9 - ~276=2, ~7612=1, ~7614=1, ~277=1 QE MET 67 - HA ALA 46 lone 5 97 - 5 - 9736/3.0=4 HB2 LYS 96 - HA ALA 46 lone 3 81 - 4 - HB ILE 7 - HA ALA 46 lone 3 99 - 3 - HB3 LYS 16 - HA ALA 46 lone 2 98 - 2 - HB2 LYS 16 - HA ALA 46 lone 2 97 - 2 - HB2 LYS 49 - HA ALA 46 lone 1 87 - 2 - HB2 GLU 128 - HA ALA 46 lone 1 81 - 2 - HB3 ARG 118 - HA ALA 46 lone 1 73 - 2 - Peak 9455 from cnoeabs.peaks (0.83, 4.25, 53.67 ppm; 3.78 A): 0 out of 9 assignments used, low quality = 0.11: QG2 ILE 71 - HA ALA 46 OK 11 90 - 13 - 9788/2.1=6, 9795/3.6=3 QD2 LEU 74 - HA ALA 46 lone 7 94 - 7 - ~9461=5, 9461/2.1=2 QD1 LEU 74 - HA ALA 46 lone 6 90 - 7 - ~9461=4, 9461/2.1=2 QD1 LEU 64 - HA ALA 46 lone 3 81 - 3 - 9461/2.1=1 QD2 LEU 82 - HA ALA 46 lone 1 100 - 1 - QG2 ILE 15 - HA ALA 46 lone 1 61 - 1 - QG2 ILE 57 - HA ALA 46 lone 0 87 - 0 - QG2 ILE 5 - HA ALA 46 lone 0 84 - 0 - HG13 ILE 5 - HA ALA 46 lone 0 65 - 1 - Peak 9457 from cnoeabs.peaks (2.49, 1.55, 18.88 ppm; 4.21 A): 1 out of 2 assignments used, quality = 0.63: HG3 GLU 47 + QB ALA 46 OK 63 92 - 69 - 11239=36, 1307/3.7=29...(5) HB2 TYR 102 - QB ALA 46 lone 4 65 - 6 - 4.4/9452=4, 1.8/10175=1 Peak 9458 from cnoeabs.peaks (2.29, 1.55, 18.88 ppm; 4.67 A): 3 out of 8 assignments used, quality = 0.89: HG2 GLU 47 + QB ALA 46 OK 71 100 - 71 - 1.8/9457=42, 5.2/280=24...(5) HG3 GLU 87 + QB ALA 46 OK 40 100 - 40 - 3.0/11299=13...(8) HG2 GLU 87 + QB ALA 46 OK 40 100 - 40 - 3.0/11299=13...(8) HG3 GLU 91 - QB ALA 46 lone 7 96 - 7 - 4.2/8086=3, 3.0/9459=2 HG2 GLU 111 - QB ALA 46 lone 4 96 - 4 - 1306/3.7=1 HB2 MET 121 - QB ALA 46 lone 2 99 - 2 - HG3 GLU 89 - QB ALA 46 lone 1 73 - 2 - HG3 GLU 13 - QB ALA 46 lone 1 77 - 1 - Peak 9459 from cnoeabs.peaks (2.08, 1.55, 18.88 ppm; 5.67 A): 5 out of 13 assignments used, quality = 0.65: HB2 GLU 87 + QB ALA 46 OK 30 70 - 44 - 1.8/11300=15, 11299=11...(7) HB3 GLU 69 + QB ALA 46 OK 24 87 - 27 - 7650/3.7=6, ~5021=3...(11) HB2 LYS 94 + QB ALA 46 OK 19 97 - 19 - 4.4/9453=10, 3.9/1624=2...(5) HB3 PHE 79 + QB ALA 46 OK 11 100 - 11 - 2.4/9452=9 HB3 GLU 91 + QB ALA 46 OK 10 96 - 11 - 3.0/8086=4, 3.0/9458=2, ~2070=1 HB3 GLU 66 - QB ALA 46 lone 7 73 - 10 - 3.7/402=2, ~2107=2, ~8131=1 HB2 GLU 103 - QB ALA 46 lone 4 92 - 5 - 10206/9452=2 HB3 GLU 112 - QB ALA 46 lone 3 98 - 3 - HB2 GLU 112 - QB ALA 46 lone 3 97 - 3 - HB3 MET 121 - QB ALA 46 lone 3 100 - 3 - HB2 GLU 13 - QB ALA 46 lone 2 84 - 3 - HG2 GLU 119 - QB ALA 46 lone 2 100 - 2 - HB2 GLN 28 - QB ALA 46 lone 1 77 - 2 - Peak 9461 from cnoeabs.peaks (0.81, 1.55, 18.88 ppm; 3.21 A): 0 out of 8 assignments used, low quality = 0.12: QG2 ILE 71 - QB ALA 46 OK 12 92 - 13 - 9788=4, 9455/2.1=3...(4) QD1 LEU 74 - QB ALA 46 lone 6 92 - 7 - ~9455=3, 9455/2.1=1 QD2 LEU 74 - QB ALA 46 lone 5 87 - 5 - ~9455=3, 9455/2.1=2 QD1 LEU 64 - QB ALA 46 lone 3 97 - 3 - QD1 LEU 114 - QB ALA 46 lone 1 100 - 1 - QD2 LEU 82 - QB ALA 46 lone 0 65 - 1 - QG1 VAL 29 - QB ALA 46 lone 0 97 - 0 - QD1 LEU 81 - QB ALA 46 lone 0 65 - 0 - Peak 9465 from cnoeabs.peaks (4.43, 1.13, 31.45 ppm; 5.07 A): 1 out of 2 assignments used, quality = 0.73: HA TYR 27 + HB3 LYS 53 OK 73 99 - 73 - 11226=50, 11225/1.8=38 HA SER 126 - HB3 LYS 53 lone 1 65 - 1 - Peak 9469 from cnoeabs.peaks (0.65, 1.27, 28.78 ppm; 4.54 A): 0 out of 12 assignments used, low quality = 0.34: QD1 ILE 54 - HD3 LYS 53 OK 26 92 - 28 - 4.8/321=11, 11330/1.8=7...(6) QD1 LEU 4 - HD3 LYS 53 OK 12 100 - 12 - 11235=5, 10800/6.2=2, 1354/321=2 QG1 VAL 22 - HD3 LYS 53 lone 8 97 - 9 - 10851/9479=6, 10800/6.2=2 QD1 ILE 54 - HD2 LYS 2 lone 6 82 - 7 - 3.1/9470=2, ~11708=2, ~11504=1 QD1 LEU 4 - HD2 LYS 2 lone 6 92 - 6 - 11235=3 HG13 ILE 15 - HD3 LYS 53 lone 4 94 - 5 - 10800/6.2=2 QD1 ILE 71 - HD3 LYS 53 lone 1 94 - 1 - QG1 VAL 22 - HD2 LYS 2 lone 1 88 - 1 - HG13 ILE 15 - HD2 LYS 2 lone 1 84 - 1 - QD1 ILE 71 - HD2 LYS 2 lone 1 84 - 1 - QD1 ILE 56 - HD3 LYS 53 lone 1 73 - 1 - QD1 ILE 56 - HD2 LYS 2 lone 1 63 - 1 - Peak 9470 from cnoeabs.peaks (0.74, 1.27, 28.78 ppm; 4.57 A): 4 out of 22 assignments used, quality = 0.70: QD2 LEU 45 + HD2 LYS 2 OK 38 76 - 51 - 9437/3.0=21...(6) QG2 ILE 54 + HD3 LYS 53 OK 27 94 - 29 - 4.0/321=13, 3.1/9469=12...(4) QD1 LEU 45 + HD2 LYS 2 OK 26 60 - 44 - ~9437=17, 11504/3.0=12...(5) QD1 LEU 63 + HD3 LYS 53 OK 10 99 - 10 - 9685/3.0=2, ~9678=2...(5) QG2 ILE 54 - HD2 LYS 2 poor 9 84 - 11 - 11708/1.8=3, 3.1/9469=3...(4) QD1 LEU 63 - HD2 LYS 2 lone 7 91 - 7 - 11504/3.0=2, ~11222=2...(4) QG2 VAL 78 - HD3 LYS 53 lone 5 87 - 6 - ~9866=3, 2.1/9864=1 QD2 LEU 55 - HD3 LYS 53 lone 3 100 - 3 - HG13 ILE 18 - HD3 LYS 53 lone 3 96 - 3 - QG2 ILE 7 - HD3 LYS 53 lone 3 97 - 3 - QG2 VAL 78 - HD2 LYS 2 lone 2 76 - 3 - QD2 LEU 55 - HD2 LYS 2 lone 2 93 - 2 - QG2 ILE 7 - HD2 LYS 2 lone 2 88 - 2 - QD2 LEU 45 - HD3 LYS 53 lone 2 87 - 2 - QD2 LEU 6 - HD3 LYS 53 lone 2 100 - 2 - QG2 ILE 18 - HD3 LYS 53 lone 2 61 - 3 - ~11244=1 QD1 LEU 45 - HD3 LYS 53 lone 1 70 - 2 - QD2 LEU 6 - HD2 LYS 2 lone 1 93 - 1 - QG1 VAL 117 - HD3 LYS 53 lone 1 73 - 2 - HG13 ILE 18 - HD2 LYS 2 lone 1 86 - 1 - QG1 VAL 117 - HD2 LYS 2 lone 1 63 - 1 - QG2 ILE 18 - HD2 LYS 2 lone 1 52 - 1 - Peak 9471 from cnoeabs.peaks (7.11, 1.09, 24.59 ppm; 6.20 A): 0 out of 2 assignments used, low quality = 0.26: QD PHE 51 - HG2 LYS 53 OK 26 87 - 30 - 9473/3.0=22, 9476/3.0=9 QE PHE 79 - HG2 LYS 53 lone 7 77 - 9 - 9910/1.8=3, 2.2/4662=2...(4) Peak 9473 from cnoeabs.peaks (7.12, 1.48, 28.78 ppm; 5.80 A): 0 out of 3 assignments used, low quality = 0.44: QD PHE 51 - HD2 LYS 53 OK 37 100 - 37 - 9471/3.0=20, 9476/1.8=19 QE PHE 93 - HD2 LYS 53 OK 12 84 - 14 - 9476/1.8=8, 4677/3.0=5 QE PHE 120 - HD2 LYS 53 lone 4 81 - 5 - 9476/1.8=3 Peak 9475 from cnoeabs.peaks (6.58, 1.48, 28.78 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.94: QE TYR 27 + HD2 LYS 53 OK 94 98 - 96 - 9479/1.8=42, 4719/3.7=41...(8) Peak 9476 from cnoeabs.peaks (7.13, 1.27, 28.78 ppm; 6.20 A): 2 out of 6 assignments used, quality = 0.51: QD PHE 51 + HD3 LYS 53 OK 41 99 - 41 - 9473/1.8=30, 9471/3.0=13 QE PHE 93 + HD3 LYS 53 OK 17 97 - 18 - 9473/1.8=10, 4677/3.0=6 QE PHE 120 - HD3 LYS 53 lone 6 96 - 6 - 9473/1.8=3 QE PHE 93 - HD2 LYS 2 lone 5 88 - 6 - ~4684=2, 4677/2.9=2 QD PHE 51 - HD2 LYS 2 lone 3 90 - 3 - QE PHE 120 - HD2 LYS 2 lone 3 86 - 3 - Peak 9478 from cnoeabs.peaks (6.69, 1.27, 28.78 ppm; 6.20 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9479 from cnoeabs.peaks (6.58, 1.27, 28.78 ppm; 5.54 A): 1 out of 2 assignments used, quality = 0.82: QE TYR 27 + HD3 LYS 53 OK 82 90 - 92 - 9475/1.8=33, 9224=32...(11) QE TYR 27 - HD2 LYS 2 lone 8 79 - 10 - 4595/1.8=3, 9224=3, 4594/2.9=1 Peak 9484 from cnoeabs.peaks (6.99, 0.64, 13.41 ppm; 6.20 A): 4 out of 4 assignments used, quality = 0.88: QD TYR 102 + QD1 ILE 54 OK 49 99 - 50 - 4691/2.1=10, ~4626=10...(14) HZ PHE 79 + QD1 ILE 5 OK 49 78 - 62 - 2.2/4661=17, 3.8/4649=17...(9) QD TYR 102 + QD1 ILE 5 OK 37 76 - 48 - ~9051=9, ~9053=9...(13) HZ PHE 79 + QD1 ILE 54 OK 26 100 - 26 - 2.2/4661=6, 3.8/4649=6...(7) Peak 9486 from cnoeabs.peaks (5.45, 1.68, 41.95 ppm; 4.77 A): 1 out of 1 assignment used, quality = 0.81: HA LEU 4 + HB ILE 54 OK 81 94 - 87 - 9485/3.9=29, 9490/2.1=21...(14) Peak 9488 from cnoeabs.peaks (4.72, 0.75, 17.84 ppm; 4.75 A): 3 out of 6 assignments used, quality = 0.51: HA ARG 30 + QG2 ILE 54 OK 33 70 - 48 - 5.3/9498=15, 9495/3.1=12...(9) HA ASN 59 + QG2 ILE 54 OK 18 87 - 21 - 9495/3.1=6, 3.0/9613=4...(6) HA ASN 24 + QG2 ILE 54 OK 10 98 - 11 - 9495/3.1=5, 11645/9498=3 HA THR 9 - QG2 ILE 54 poor 10 73 - 13 - 9495/3.1=3, 3.0/9108=3...(5) HA ASP 34 - QG2 ILE 54 lone 3 57 - 5 - 3.0/11349=1, 3.0/9320=1 HA ASP 109 - QG2 ILE 54 lone 1 77 - 2 - Peak 9489 from cnoeabs.peaks (5.04, 0.75, 17.84 ppm; 4.76 A): 2 out of 2 assignments used, quality = 0.64: HA ILE 56 + QG2 ILE 54 OK 58 81 - 72 - 3.0/11355=35...(9) HA VAL 29 + QG2 ILE 54 OK 13 100 - 13 - 9506/4.4=5, 9509/9491=2...(4) Peak 9490 from cnoeabs.peaks (5.46, 0.75, 17.84 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.94: HA LEU 4 + QG2 ILE 54 OK 94 100 - 94 - 9486/2.1=47, 9485/4.0=44...(13) Peak 9491 from cnoeabs.peaks (5.63, 0.75, 17.84 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.82: HA LEU 55 + QG2 ILE 54 OK 82 90 - 92 - 3.0/7565=50...(10) Peak 9492 from cnoeabs.peaks (6.73, 0.75, 17.84 ppm; 6.20 A): 3 out of 3 assignments used, quality = 0.73: QD PHE 79 + QG2 ILE 54 OK 50 98 - 51 - ~9895=11, ~9896=11...(11) QE TYR 102 + QG2 ILE 54 OK 35 92 - 38 - 4626/3.2=11, ~9484=8...(7) QE TYR 76 + QG2 ILE 54 OK 15 90 - 17 - 4626/3.2=4, 4628/11708=3...(5) Peak 9494 from cnoeabs.peaks (8.35, 0.75, 17.84 ppm; 5.32 A): 2 out of 3 assignments used, quality = 0.65: H GLN 28 + QG2 ILE 54 OK 61 87 - 70 - 9232/3.2=29, 9524/4.4=28...(5) H PHE 51 + QG2 ILE 54 OK 11 94 - 12 - 4.6/4603=8, 9524/4.4=2 H ASN 11 - QG2 ILE 54 lone 4 73 - 6 - Peak 9495 from cnoeabs.peaks (4.72, 0.64, 13.41 ppm; 4.65 A): 3 out of 10 assignments used, quality = 0.48: HA ARG 30 + QD1 ILE 54 OK 31 73 - 42 - 9488/3.1=13, 5.3/9264=13...(7) HA ASN 59 + QD1 ILE 54 OK 14 84 - 17 - 9488/3.1=7, 11645/9264=3...(5) HA ASN 24 + QD1 ILE 54 OK 12 97 - 13 - 9488/3.1=4, 11645/9264=3...(4) HA THR 9 - QD1 ILE 54 poor 9 77 - 11 - 9488/3.1=4, 3.2/9118=4, ~9108=2 HA THR 9 - QD1 ILE 5 poor 7 53 - 13 - 3.2/9118=5, 10741/3.0=4 HA ARG 30 - QD1 ILE 5 lone 3 50 - 5 - 10741/3.0=2 HA ASN 59 - QD1 ILE 5 lone 2 59 - 4 - ~9612=1 HA ASN 24 - QD1 ILE 5 lone 2 72 - 3 - HA ASP 109 - QD1 ILE 5 lone 1 56 - 3 - 10741/3.0=1 HA ASP 109 - QD1 ILE 54 lone 1 81 - 2 - Peak 9496 from cnoeabs.peaks (5.45, 0.64, 13.41 ppm; 5.88 A): 2 out of 2 assignments used, quality = 0.89: HA LEU 4 + QD1 ILE 54 OK 84 94 - 89 - 9486/3.2=43, 9485/4.8=34...(10) HA LEU 4 + QD1 ILE 5 OK 34 69 - 50 - 9/5.0=37, 10662/9009=4...(9) Peak 9497 from cnoeabs.peaks (2.95, 0.64, 13.41 ppm; 6.20 A): 0 out of 20 assignments used, low quality = 0.31: HB3 PHE 51 - QD1 ILE 54 OK 15 81 - 18 - ~4603=9, ~10143=4...(4) HB2 ASN 24 - QD1 ILE 54 OK 10 81 - 13 - 3.0/9495=7, ~9488=4 HB3 ASN 24 - QD1 ILE 54 OK 10 81 - 13 - 3.0/9495=7, ~9488=4 HE3 LYS 20 - QD1 ILE 54 lone 5 90 - 5 - 3.9/11330=2 HE2 LYS 20 - QD1 ILE 54 lone 5 90 - 5 - 3.9/11330=2 HE3 LYS 40 - QD1 ILE 54 lone 4 84 - 4 - 5.0/11545=1 HE2 LYS 40 - QD1 ILE 54 lone 3 77 - 4 - 5.0/11545=1 HB3 PHE 51 - QD1 ILE 5 lone 3 56 - 5 - ~9048=2, 2.4/11357=1 HB2 ASN 24 - QD1 ILE 5 lone 2 56 - 4 - 3.0/9495=1 HB3 ASN 24 - QD1 ILE 5 lone 2 56 - 4 - 3.0/9495=1 HE2 LYS 106 - QD1 ILE 54 lone 2 100 - 2 - HE3 LYS 106 - QD1 ILE 54 lone 2 100 - 2 - HE2 LYS 20 - QD1 ILE 5 lone 2 64 - 3 - HE3 LYS 20 - QD1 ILE 5 lone 2 64 - 3 - HE3 LYS 40 - QD1 ILE 5 lone 2 59 - 3 - HE3 LYS 106 - QD1 ILE 5 lone 2 78 - 2 - HE2 LYS 106 - QD1 ILE 5 lone 2 78 - 2 - HE2 LYS 40 - QD1 ILE 5 lone 2 53 - 3 - HD3 ARG 118 - QD1 ILE 54 lone 1 65 - 2 - HD3 ARG 118 - QD1 ILE 5 lone 1 44 - 2 - Peak 9498 from cnoeabs.peaks (2.92, 0.75, 17.84 ppm; 4.71 A): 1 out of 16 assignments used, quality = 0.63: HD3 ARG 30 + QG2 ILE 54 OK 63 96 - 66 - 9263=24, 9264/3.1=19...(12) HB2 ASP 34 - QG2 ILE 54 lone 3 73 - 4 - 3.0/9488=1, 11349=1 HB2 ASN 33 - QG2 ILE 54 lone 3 77 - 4 - 3.0/9308=1 HE3 LYS 94 - QG2 ILE 54 lone 2 96 - 2 - HE3 LYS 65 - QG2 ILE 54 lone 2 94 - 2 - HE2 LYS 65 - QG2 ILE 54 lone 2 94 - 2 - HE2 LYS 96 - QG2 ILE 54 lone 2 99 - 2 - HE3 LYS 96 - QG2 ILE 54 lone 2 99 - 2 - HB2 ASN 10 - QG2 ILE 54 lone 2 61 - 3 - 4.4/9494=1 HE2 LYS 44 - QG2 ILE 54 lone 1 99 - 1 - HE3 LYS 44 - QG2 ILE 54 lone 1 99 - 1 - HE2 LYS 16 - QG2 ILE 54 lone 1 77 - 1 - HE3 LYS 16 - QG2 ILE 54 lone 1 77 - 1 - HB2 ASP 86 - QG2 ILE 54 lone 1 100 - 1 - HE3 LYS 115 - QG2 ILE 54 lone 1 73 - 1 - HE2 LYS 115 - QG2 ILE 54 lone 1 73 - 1 - Peak 9499 from cnoeabs.peaks (2.06, 0.64, 13.41 ppm; 3.76 A): 6 out of 38 assignments used, quality = 0.74: HB2 GLN 28 + QD1 ILE 54 OK 33 98 - 34 - 1.8/11481=14...(5) HB3 PHE 79 + QD1 ILE 5 OK 29 41 - 70 - 1.8/10740=12...(19) HB VAL 117 + QD1 ILE 5 OK 18 69 - 27 - 2.1/10524=6, 3.0/10502=5...(9) HB3 PHE 79 + QD1 ILE 54 OK 14 61 - 23 - ~9492=4, 2.4/4649=4...(9) HB3 MET 67 + QD1 ILE 54 OK 13 97 - 14 - 3.0/9703=7, 9707/2.1=4 HG3 GLU 52 + QD1 ILE 54 OK 12 87 - 14 - 3.0/11351=6, 4.9/10800=4 HB2 GLN 28 - QD1 ILE 5 poor 10 74 - 13 - 1.8/11481=5, 3.0/11486=3...(4) HB2 GLU 13 - QD1 ILE 54 lone 7 96 - 7 - 10909/3.1=3, 4.4/9160=2 HB3 MET 67 - QD1 ILE 5 lone 6 72 - 8 - 3.0/9703=3, 10943/3.0=2, ~9712=1 HG3 GLU 52 - QD1 ILE 5 lone 4 62 - 7 - 3.0/11351=2, 4.9/10800=2 HB3 GLN 100 - QD1 ILE 54 lone 3 96 - 3 - HB3 GLN 100 - QD1 ILE 5 lone 3 71 - 4 - HB VAL 117 - QD1 ILE 54 lone 2 94 - 2 - HB3 GLU 87 - QD1 ILE 54 lone 2 73 - 3 - HB2 LYS 94 - QD1 ILE 54 lone 2 81 - 2 - HB2 GLU 13 - QD1 ILE 5 lone 1 71 - 2 - HB3 GLU 91 - QD1 ILE 54 lone 1 84 - 2 - HB2 GLU 66 - QD1 ILE 54 lone 1 73 - 2 - HB2 GLU 89 - QD1 ILE 5 lone 1 50 - 2 - HB3 GLU 89 - QD1 ILE 5 lone 1 50 - 2 - HB3 GLU 98 - QD1 ILE 5 lone 1 77 - 1 - HB3 GLN 85 - QD1 ILE 54 lone 1 73 - 1 - HB2 GLU 92 - QD1 ILE 5 lone 1 77 - 1 - HB2 GLU 92 - QD1 ILE 54 lone 1 100 - 1 - HB3 GLU 98 - QD1 ILE 54 lone 1 100 - 1 - HB2 GLU 66 - QD1 ILE 5 lone 1 50 - 2 - HB3 GLU 91 - QD1 ILE 5 lone 1 59 - 1 - HB3 GLU 89 - QD1 ILE 54 lone 1 73 - 1 - HB2 GLU 89 - QD1 ILE 54 lone 1 73 - 1 - HB2 GLU 47 - QD1 ILE 5 lone 1 78 - 1 - HB2 LYS 94 - QD1 ILE 5 lone 1 56 - 1 - HB2 GLU 47 - QD1 ILE 54 lone 1 100 - 1 - HB3 GLN 85 - QD1 ILE 5 lone 0 50 - 1 - HB3 GLU 87 - QD1 ILE 5 lone 0 50 - 1 - HB2 GLU 48 - QD1 ILE 54 lone 0 73 - 0 - HB3 GLU 48 - QD1 ILE 54 lone 0 73 - 0 - HB2 GLU 48 - QD1 ILE 5 lone 0 50 - 1 - HB3 GLU 48 - QD1 ILE 5 lone 0 50 - 1 - Peak 9501 from cnoeabs.peaks (1.65, 5.64, 53.50 ppm; 4.40 A): 1 out of 13 assignments used, quality = 0.81: HB ILE 5 + HA LEU 55 OK 81 100 - 81 - 9058=44, 3.9/9057=24...(10) HB2 ARG 30 - HA LEU 55 lone 6 99 - 6 - 9260/9491=2, 9251/9509=1 HG LEU 90 - HA LEU 55 lone 4 92 - 5 - ~11140=1, ~9502=1 HG LEU 114 - HA LEU 55 lone 2 100 - 2 - HD2 LYS 115 - HA LEU 55 lone 1 97 - 1 - HB2 GLU 52 - HA LEU 55 lone 1 97 - 1 - HD3 LYS 115 - HA LEU 55 lone 1 92 - 1 - HD3 LYS 49 - HA LEU 55 lone 1 99 - 1 - HD2 LYS 49 - HA LEU 55 lone 1 99 - 1 - HD3 LYS 65 - HA LEU 55 lone 1 100 - 1 - HD2 LYS 65 - HA LEU 55 lone 1 99 - 1 - HG LEU 64 - HA LEU 55 lone 1 97 - 1 - HB ILE 116 - HA LEU 55 lone 1 61 - 1 - Peak 9502 from cnoeabs.peaks (0.89, 1.76, 45.20 ppm; 3.77 A): 2 out of 7 assignments used, quality = 0.67: QG2 VAL 29 + HB2 LEU 55 OK 44 96 - 46 - 3.2/9513=19, 11140/3.9=9...(8) QG2 VAL 104 + HB2 LEU 55 OK 41 99 - 41 - 11509/1.8=13...(11) QD2 LEU 90 - HB2 LEU 55 lone 4 98 - 4 - 11140/3.9=1 QD1 LEU 90 - HB2 LEU 55 lone 3 77 - 4 - QD2 LEU 38 - HB2 LEU 55 lone 3 100 - 3 - QD2 LEU 70 - HB2 LEU 55 lone 1 77 - 1 - QD1 LEU 70 - HB2 LEU 55 lone 0 65 - 1 - Peak 9503 from cnoeabs.peaks (0.86, 1.32, 45.20 ppm; 3.93 A): 3 out of 10 assignments used, quality = 0.79: QG2 VAL 22 + HB3 LEU 55 OK 59 92 - 64 - 2.1/10866=23, 10874=17...(11) HG13 ILE 5 + HB3 LEU 55 OK 35 65 - 54 - ~9058=12, ~9501=10...(16) HG13 ILE 57 + HB3 LEU 55 OK 23 99 - 23 - ~11136=7, 11248/4.6=4...(8) QG2 THR 9 - HB3 LEU 55 lone 8 100 - 8 - 9117/3.1=3, ~11554=2...(4) QG2 VAL 117 - HB3 LEU 55 lone 6 100 - 6 - 10530/4583=3...(3) QG2 VAL 107 - HB3 LEU 55 lone 4 99 - 4 - 11457=1, 11417/3.1=1 QD1 LEU 14 - HB3 LEU 55 lone 3 99 - 3 - 11676/1.8=1 QD2 LEU 90 - HB3 LEU 55 lone 2 65 - 4 - QG2 ILE 15 - HB3 LEU 55 lone 2 70 - 3 - QG1 VAL 32 - HB3 LEU 55 lone 1 100 - 1 - Peak 9504 from cnoeabs.peaks (3.68, 0.74, 26.63 ppm; 4.40 A): 0 out of 1 assignment used, low quality = 0.22: HA LYS 19 - QD2 LEU 55 OK 22 100 - 22 - 3.0/9528=9...(5) Peak 9509 from cnoeabs.peaks (5.05, 5.64, 53.50 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.98: HA ILE 56 + HA LEU 55 OK 93 100 - 94 - 3.0/332=50, 3.0/9537=42...(8) HA VAL 29 + HA LEU 55 OK 63 90 - 71 - 9516/3.0=17, 9521/4.0=16...(9) Peak 9513 from cnoeabs.peaks (5.03, 1.76, 45.20 ppm; 4.84 A): 1 out of 1 assignment used, quality = 0.50: HA VAL 29 + HB2 LEU 55 OK 50 90 - 55 - 3.2/9502=18, 9516/1.8=15...(12) Peak 9514 from cnoeabs.peaks (4.86, 1.76, 45.20 ppm; 6.20 A): 0 out of 2 assignments used, low quality = 0.44: HA ILE 54 - HB2 LEU 55 OK 44 65 - 67 - 3.6/1357=40, ~9491=24...(6) HA ASP 60 - HB2 LEU 55 lone 6 100 - 6 - ~9649=1, ~9641=1, ~9645=1 Peak 9515 from cnoeabs.peaks (6.79, 1.76, 45.20 ppm; 5.63 A): 2 out of 2 assignments used, quality = 0.93: QD TYR 27 + HB2 LEU 55 OK 87 100 - 87 - 4583/1.8=48...(7) QD PHE 120 + HB2 LEU 55 OK 44 100 - 44 - 9517/1.8=13, 9522/3.1=11...(6) Peak 9516 from cnoeabs.peaks (5.04, 1.32, 45.20 ppm; 4.85 A): 2 out of 2 assignments used, quality = 0.91: HA ILE 56 + HB3 LEU 55 OK 72 81 - 90 - ~332=24, ~7569=23...(14) HA VAL 29 + HB3 LEU 55 OK 68 100 - 68 - 9513/1.8=31, 9521/3.1=13...(12) Peak 9517 from cnoeabs.peaks (6.78, 1.32, 45.20 ppm; 4.89 A): 2 out of 2 assignments used, quality = 0.89: QD TYR 27 + HB3 LEU 55 OK 83 98 - 85 - 4583=46, 9515/1.8=20...(10) QD PHE 120 + HB3 LEU 55 OK 33 96 - 34 - 9515/1.8=10, 9523/3.1=7...(7) Peak 9520 from cnoeabs.peaks (9.08, 1.57, 27.37 ppm; 5.82 A): 2 out of 4 assignments used, quality = 0.93: H LEU 4 + HG12 ILE 3 OK 92 97 - 95 - 7305/3.2=47, 7308/2.1=45...(7) H LEU 4 + HG LEU 55 OK 14 100 - 14 - 1034/2.1=5, 10665/2.1=4, 5=3 H LEU 81 - HG12 ILE 3 lone 5 68 - 7 - 7308/2.1=2, 7307/1.8=2 H LEU 81 - HG LEU 55 lone 3 73 - 5 - 9087/11617=3 Peak 9521 from cnoeabs.peaks (5.05, 0.74, 26.63 ppm; 4.61 A): 2 out of 2 assignments used, quality = 0.93: HA ILE 56 + QD2 LEU 55 OK 84 96 - 87 - 3.0/7574=33, ~335=20...(16) HA VAL 29 + QD2 LEU 55 OK 56 98 - 57 - 9513/3.1=14, 9516/3.1=14...(12) Peak 9522 from cnoeabs.peaks (6.79, 0.74, 26.63 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.96: QD TYR 27 + QD2 LEU 55 OK 91 99 - 92 - 4583/3.1=46, 9523/2.1=30...(13) QD PHE 120 + QD2 LEU 55 OK 54 100 - 54 - 9523/2.1=13, 9515/3.1=13...(13) Peak 9523 from cnoeabs.peaks (6.79, 0.68, 26.27 ppm; 4.81 A): 3 out of 4 assignments used, quality = 0.85: QD TYR 27 + QD1 LEU 55 OK 75 99 - 76 - 4583/3.1=37, 9508/4.7=17...(8) QD PHE 120 + QD1 LEU 55 OK 33 100 - 33 - 9522/2.1=9, 9515/3.1=8...(7) QD TYR 27 + QD2 LEU 4 OK 11 53 - 20 - 9480/11714=5, ~10732=3...(8) QD PHE 120 - QD2 LEU 4 lone 3 55 - 5 - Peak 9525 from cnoeabs.peaks (8.77, 5.64, 53.50 ppm; 4.64 A): 2 out of 4 assignments used, quality = 0.88: * H ILE 5 + HA LEU 55 OK 81 100 - 81 - 9057=48, 3.9/9058=27...(8) H VAL 29 + HA LEU 55 OK 39 90 - 44 - ~9513=17, ~9516=8...(7) H ILE 18 - HA LEU 55 poor 7 57 - 12 - 9529/3.6=4, 9527/4.0=3...(5) H MET 42 - HA LEU 55 lone 4 81 - 5 - 9529/3.6=2 Peak 9527 from cnoeabs.peaks (8.78, 0.74, 26.63 ppm; 5.66 A): 4 out of 5 assignments used, quality = 0.91: H VAL 29 + QD2 LEU 55 OK 63 99 - 63 - ~9513=25, 3.0/9521=17...(8) H ILE 5 + QD2 LEU 55 OK 54 77 - 70 - 9057/4.0=26...(13) H ILE 18 + QD2 LEU 55 OK 39 99 - 40 - 4.6/9528=12, 3.9/11487=6...(12) H MET 42 + QD2 LEU 55 OK 15 100 - 14 - 9529/4.6=3, 4.6/9394=2...(5) H ASN 59 - QD2 LEU 55 lone 8 81 - 9 - 9613=2, 4.6/9649=2 Peak 9528 from cnoeabs.peaks (8.53, 0.74, 26.63 ppm; 5.91 A): 2 out of 3 assignments used, quality = 0.87: H ILE 57 + QD2 LEU 55 OK 66 90 - 74 - 4.6/7574=37, 3.6/9521=25...(11) H LYS 19 + QD2 LEU 55 OK 62 100 - 62 - 3.0/9504=47, 4.6/9527=7...(10) H ASN 88 - QD2 LEU 55 lone 3 100 - 3 - Peak 9532 from cnoeabs.peaks (8.94, 1.69, 39.82 ppm; 5.97 A): 1 out of 1 assignment used, quality = 0.59: H ILE 7 + HB ILE 56 OK 59 87 - 68 - 3.6/9536=42, 9086/4.0=33...(4) Peak 9534 from cnoeabs.peaks (8.43, 0.69, 17.09 ppm; 4.86 A): 0 out of 5 assignments used, low quality = 0.40: H VAL 32 - QG2 ILE 56 OK 40 96 - 42 - 11348/4.4=19, 10677=13...(5) H GLN 62 - QG2 ILE 56 lone 9 100 - 9 - 369/3.2=2, 9663/10946=2...(4) H GLN 83 - QG2 ILE 56 lone 8 99 - 9 - 9576/4.4=4, 1551/3.2=1 H ASN 10 - QG2 ILE 56 lone 3 97 - 3 - 9576/4.4=2 H ILE 3 - QG2 ILE 56 lone 3 90 - 3 - Peak 9536 from cnoeabs.peaks (5.34, 1.69, 39.82 ppm; 4.70 A): 1 out of 1 assignment used, quality = 0.59: HA LEU 6 + HB ILE 56 OK 59 99 - 60 - 9535/4.0=31, 3.6/9532=21...(6) Peak 9537 from cnoeabs.peaks (5.64, 1.69, 39.82 ppm; 5.47 A): 1 out of 1 assignment used, quality = 0.72: HA LEU 55 + HB ILE 56 OK 72 100 - 72 - 332/4.0=45, ~9506=19...(6) Peak 9543 from cnoeabs.peaks (2.93, 0.66, 12.57 ppm; 6.20 A): 2 out of 9 assignments used, quality = 0.85: HD3 ARG 30 + QD1 ILE 56 OK 77 100 - 78 - 6.3/11360=28...(6) HE3 LYS 94 + QD1 ILE 56 OK 32 81 - 40 - ~9551=18, 3.0/9550=7...(6) HE3 LYS 96 - QD1 ILE 56 lone 7 100 - 7 - 4.9/11249=2, 3.8/11131=2 HE2 LYS 96 - QD1 ILE 56 lone 7 100 - 7 - 4.9/11249=2, 3.8/11131=2 HE2 LYS 44 - QD1 ILE 56 lone 3 100 - 3 - HE3 LYS 44 - QD1 ILE 56 lone 3 100 - 3 - HE2 LYS 65 - QD1 ILE 56 lone 3 77 - 4 - HE3 LYS 65 - QD1 ILE 56 lone 3 77 - 4 - HB2 ASP 86 - QD1 ILE 56 lone 2 99 - 2 - Peak 9547 from cnoeabs.peaks (1.86, 0.66, 12.57 ppm; 3.80 A): 3 out of 12 assignments used, quality = 0.64: HB2 LEU 63 + QD1 ILE 56 OK 36 90 - 41 - 3.1/11707=8, ~11261=6...(11) QE MET 67 + QD1 ILE 56 OK 27 57 - 48 - 9726=9, 3.3/9720=9...(9) QE MET 42 + QD1 ILE 56 OK 23 98 - 23 - 9432=10, 11532/2.1=5...(6) HB2 ARG 105 - QD1 ILE 56 lone 9 100 - 9 - 4.2/10281=2, 3.8/10277=2...(4) HG2 ARG 95 - QD1 ILE 56 lone 2 73 - 3 - HB2 LYS 16 - QD1 ILE 56 lone 1 57 - 2 - HB3 ARG 118 - QD1 ILE 56 lone 1 90 - 1 - HG LEU 127 - QD1 ILE 56 lone 1 100 - 1 - HG LEU 70 - QD1 ILE 56 lone 1 87 - 1 - HB2 LYS 77 - QD1 ILE 56 lone 0 70 - 1 - HD2 LYS 123 - QD1 ILE 56 lone 0 70 - 1 - HB3 LYS 77 - QD1 ILE 56 lone 0 61 - 1 - Peak 9548 from cnoeabs.peaks (2.11, 0.66, 12.57 ppm; 6.20 A): 4 out of 15 assignments used, quality = 0.63: HB VAL 107 + QD1 ILE 56 OK 31 98 - 31 - 4.0/7580=6, 10315/2.1=6...(10) HG2 GLU 21 + QD1 ILE 56 OK 20 99 - 20 - 3.0/11249=7, 10315/2.1=2...(7) HG3 GLU 21 + QD1 ILE 56 OK 19 98 - 20 - 3.0/11249=7, ~10315=2...(8) HB2 GLU 21 + QD1 ILE 56 OK 18 98 - 18 - 1.8/11249=7, 4.1/9205=2...(6) HB2 LEU 38 - QD1 ILE 56 lone 7 99 - 7 - ~3522=2 HG3 GLN 83 - QD1 ILE 56 lone 6 97 - 6 - 10013/11707=1, 10013/11707=1 HB2 GLU 91 - QD1 ILE 56 lone 6 77 - 7 - 3.0/9549=3 HB3 GLU 119 - QD1 ILE 56 lone 5 99 - 5 - ~11200=1 HB2 GLU 119 - QD1 ILE 56 lone 5 97 - 5 - ~11200=1 HB3 GLU 66 - QD1 ILE 56 lone 3 70 - 5 - ~11066=2 HB2 GLU 111 - QD1 ILE 56 lone 3 90 - 3 - HB2 GLU 87 - QD1 ILE 56 lone 3 73 - 4 - 4.6/7580=1 HB3 GLU 92 - QD1 ILE 56 lone 2 100 - 2 - HG2 GLU 52 - QD1 ILE 56 lone 2 92 - 2 - HB3 GLU 47 - QD1 ILE 56 lone 2 100 - 2 - Peak 9549 from cnoeabs.peaks (2.44, 0.66, 12.57 ppm; 5.67 A): 0 out of 6 assignments used, low quality = 0.20: HG2 MET 1 - QD1 ILE 56 OK 20 97 - 21 - 10877/2.1=11, ~10878=8, ~9704=2 HG3 GLU 98 - QD1 ILE 56 lone 3 100 - 3 - HG2 GLU 91 - QD1 ILE 56 lone 3 61 - 4 - 3.0/9548=1 HG2 GLU 37 - QD1 ILE 56 lone 2 98 - 2 - HG2 GLN 100 - QD1 ILE 56 lone 2 99 - 2 - HG3 GLU 69 - QD1 ILE 56 lone 1 100 - 1 - Peak 9550 from cnoeabs.peaks (1.52, 0.66, 12.57 ppm; 3.94 A): 6 out of 11 assignments used, quality = 0.93: HB3 ARG 30 + QD1 ILE 56 OK 65 94 - 69 - 4.0/11360=18...(11) HD3 LYS 17 + QD1 ILE 56 OK 32 98 - 32 - 1.8/10919=7, 3.0/10918=7...(10) HD2 LYS 94 + QD1 ILE 56 OK 27 81 - 34 - ~9551=11, 9551/2.1=7...(7) HD3 LYS 94 + QD1 ILE 56 OK 27 81 - 34 - ~9551=11, 9551/2.1=7...(7) HB2 LEU 6 + QD1 ILE 56 OK 23 77 - 30 - ~9536=11, ~10950=5...(9) HG LEU 6 + QD1 ILE 56 OK 23 100 - 23 - 10948/3.2=5, 2.1/11707=5...(7) HG LEU 38 - QD1 ILE 56 lone 4 100 - 4 - HG2 LYS 20 - QD1 ILE 56 lone 3 70 - 4 - HB2 LYS 61 - QD1 ILE 56 lone 1 98 - 1 - HG2 LYS 43 - QD1 ILE 56 lone 1 92 - 1 - QB ALA 124 - QD1 ILE 56 lone 1 61 - 1 - Peak 9551 from cnoeabs.peaks (1.54, 0.96, 27.65 ppm; 3.84 A): 0 out of 5 assignments used, low quality = 0.36: HD2 LYS 94 - HG13 ILE 56 OK 20 99 - 20 - 10948/2.9=4, ~10948=3...(7) HD3 LYS 94 - HG13 ILE 56 OK 20 99 - 20 - 10948/2.9=4, ~10948=3...(7) HB VAL 78 - HG13 ILE 56 lone 1 73 - 2 - QB ALA 46 - HG13 ILE 56 lone 1 94 - 1 - HG2 LYS 65 - HG13 ILE 56 lone 1 96 - 1 - Peak 9554 from cnoeabs.peaks (2.47, 1.82, 38.95 ppm; 6.20 A): 2 out of 5 assignments used, quality = 0.99: HB3 ASP 31 + HB ILE 57 OK 91 100 - 91 - 3.0/9569=46, ~9573=27...(12) HB2 ASP 31 + HB ILE 57 OK 91 100 - 91 - 3.0/9569=46, ~9573=27...(12) HG3 GLU 119 - HB ILE 57 lone 4 94 - 4 - 7917/4.4=1 HG3 GLU 41 - HB ILE 57 lone 3 94 - 3 - HB2 TYR 102 - HB ILE 57 lone 3 99 - 3 - Peak 9555 from cnoeabs.peaks (1.58, 0.71, 13.94 ppm; 3.64 A): 4 out of 12 assignments used, quality = 0.83: HD3 LYS 19 + QD1 ILE 57 OK 45 90 - 50 - 3.0/9558=12, 3.0/9558=12...(16) HD2 LYS 19 + QD1 ILE 57 OK 45 90 - 50 - 3.0/9558=12, 3.0/9558=12...(16) HG3 LYS 19 + QD1 ILE 57 OK 36 84 - 43 - 3.8/9560=10, 4.0/9558=9...(12) HG LEU 55 + QD1 ILE 57 OK 14 70 - 21 - ~11136=8, ~11487=4...(7) HG LEU 82 - QD1 ILE 57 lone 2 77 - 3 - 5.0/516=2 HG12 ILE 116 - QD1 ILE 57 lone 1 100 - 1 - HG LEU 68 - QD1 ILE 57 lone 1 99 - 1 - HG2 LYS 123 - QD1 ILE 57 lone 1 96 - 1 - HG2 LYS 44 - QD1 ILE 57 lone 1 100 - 1 - HG2 LYS 73 - QD1 ILE 57 lone 1 81 - 1 - HG3 LYS 96 - QD1 ILE 57 lone 1 84 - 1 - HB3 LEU 70 - QD1 ILE 57 lone 0 84 - 0 - Peak 9556 from cnoeabs.peaks (1.92, 0.71, 13.94 ppm; 3.99 A): 3 out of 19 assignments used, quality = 0.67: HB2 LEU 81 + QD1 ILE 57 OK 36 100 - 36 - ~11389=5, ~11388=5...(12) HB ILE 15 + QD1 ILE 57 OK 29 99 - 29 - 3.0/9559=18, ~11687=6...(5) HG2 MET 121 + QD1 ILE 57 OK 28 100 - 28 - 3.4/10601=11, ~10599=9...(6) HB3 LYS 17 - QD1 ILE 57 lone 6 100 - 6 - 11476/3.0=2, 11476/2.1=1 HB3 LYS 123 - QD1 ILE 57 lone 1 98 - 1 - HB2 LYS 123 - QD1 ILE 57 lone 1 81 - 1 - HB2 LYS 44 - QD1 ILE 57 lone 1 94 - 1 - HB2 LYS 115 - QD1 ILE 57 lone 1 96 - 1 - HB3 LYS 65 - QD1 ILE 57 lone 1 84 - 1 - HB3 LYS 44 - QD1 ILE 57 lone 1 81 - 1 - HB2 LYS 65 - QD1 ILE 57 lone 1 81 - 1 - HB2 LYS 39 - QD1 ILE 57 lone 1 81 - 1 - HB3 LYS 115 - QD1 ILE 57 lone 1 81 - 1 - HB2 LEU 45 - QD1 ILE 57 lone 1 73 - 1 - HB2 LYS 43 - QD1 ILE 57 lone 1 84 - 1 - HB2 LYS 96 - QD1 ILE 57 lone 0 61 - 1 - HB3 LYS 43 - QD1 ILE 57 lone 0 61 - 1 - HB2 LEU 127 - QD1 ILE 57 lone 0 84 - 1 - HB2 GLU 128 - QD1 ILE 57 lone 0 61 - 1 - Peak 9557 from cnoeabs.peaks (2.45, 0.71, 13.94 ppm; 6.20 A): 2 out of 8 assignments used, quality = 0.89: HB2 ASP 31 + QD1 ILE 57 OK 68 77 - 88 - 3.0/9573=43, ~9569=30...(11) HB3 ASP 31 + QD1 ILE 57 OK 64 73 - 88 - 3.0/9573=43, ~9569=30...(11) HG2 GLU 37 - QD1 ILE 57 lone 6 92 - 7 - ~9368=2, ~9363=2, ~9365=1 HG3 GLU 119 - QD1 ILE 57 lone 5 97 - 5 - 5.3/10544=2 HG3 GLU 41 - QD1 ILE 57 lone 3 97 - 3 - HG2 GLN 100 - QD1 ILE 57 lone 2 90 - 2 - HG3 GLU 98 - QD1 ILE 57 lone 2 77 - 3 - HG3 GLU 69 - QD1 ILE 57 lone 2 77 - 2 - Peak 9558 from cnoeabs.peaks (2.69, 0.71, 13.94 ppm; 3.87 A): 2 out of 8 assignments used, quality = 0.82: HE3 LYS 19 + QD1 ILE 57 OK 57 96 - 60 - 11033=13, 1.8/11033=11...(17) HE2 LYS 19 + QD1 ILE 57 OK 57 96 - 60 - 11033=13, 1.8/11033=11...(17) HB3 ASP 110 - QD1 ILE 57 lone 4 92 - 4 - 11419/2.1=1 HE2 LYS 61 - QD1 ILE 57 lone 2 99 - 2 - HB3 ASN 33 - QD1 ILE 57 lone 2 100 - 2 - HE3 LYS 61 - QD1 ILE 57 lone 1 70 - 2 - HB2 ASN 50 - QD1 ILE 57 lone 0 77 - 1 - HB3 ASN 50 - QD1 ILE 57 lone 0 73 - 1 - Peak 9559 from cnoeabs.peaks (3.21, 0.71, 13.94 ppm; 4.55 A): 2 out of 4 assignments used, quality = 0.55: HA ILE 15 + QD1 ILE 57 OK 49 97 - 50 - 10773=19, 11687/3.0=10...(11) HB2 PHE 120 + QD1 ILE 57 OK 12 98 - 12 - 11687/3.0=4, 4.0/7586=2...(5) HD2 ARG 95 - QD1 ILE 57 lone 2 92 - 3 - HD3 ARG 95 - QD1 ILE 57 lone 2 90 - 3 - Peak 9560 from cnoeabs.peaks (3.67, 0.71, 13.94 ppm; 6.19 A): 1 out of 1 assignment used, quality = 0.70: HA LYS 19 + QD1 ILE 57 OK 70 87 - 81 - 3.0/4530=17, 6.3/9558=15...(15) Peak 9561 from cnoeabs.peaks (4.78, 0.71, 13.94 ppm; 5.58 A): 0 out of 2 assignments used, low quality = 0.12: HA TYR 76 - QD1 ILE 57 OK 12 100 - 12 - ~9564=6, 3.0/11279=3, ~9831=2 HA THR 108 - QD1 ILE 57 lone 7 100 - 7 - ~11189=2, ~10322=2, ~689=2 Peak 9563 from cnoeabs.peaks (2.06, 0.86, 27.65 ppm; 6.20 A): 5 out of 38 assignments used, quality = 0.74: HB3 PHE 79 + HG13 ILE 5 OK 33 35 - 95 - ~10740=29, 1.8/11534=22...(21) HB VAL 117 + HG13 ILE 5 OK 32 59 - 54 - 10506/2.1=16, ~10524=15...(9) HB3 MET 67 + HG13 ILE 57 OK 24 97 - 24 - 3.0/9712=5, 4.3/9724=4...(8) HB3 MET 67 + HG13 ILE 5 OK 15 63 - 23 - ~9703=4, 4.3/9724=4...(8) HB2 GLN 28 + HG13 ILE 5 OK 13 64 - 20 - ~11481=8, ~11486=5...(4) HB VAL 117 - HG13 ILE 57 poor 10 94 - 10 - ~11673=3, 4.4/745=2, ~10510=1 HG3 GLU 52 - HG13 ILE 5 poor 7 53 - 14 - ~11351=4, ~10801=3...(5) HB3 PHE 79 - HG13 ILE 57 lone 5 61 - 8 - 1.8/11534=2 HB2 GLU 13 - HG13 ILE 5 lone 5 61 - 8 - 4.4/1093=3 HB3 GLN 100 - HG13 ILE 5 lone 4 61 - 7 - ~11486=1 HB2 GLU 13 - HG13 ILE 57 lone 3 96 - 3 - 4.4/1093=1 HB2 GLU 66 - HG13 ILE 57 lone 3 73 - 4 - HB3 GLU 98 - HG13 ILE 57 lone 3 100 - 3 - HB3 GLN 100 - HG13 ILE 57 lone 3 96 - 3 - HB2 GLN 28 - HG13 ILE 57 lone 3 98 - 3 - HB3 GLU 87 - HG13 ILE 57 lone 2 73 - 3 - HB3 GLU 98 - HG13 ILE 5 lone 2 67 - 4 - HB2 GLU 92 - HG13 ILE 5 lone 2 67 - 4 - HB2 GLU 92 - HG13 ILE 57 lone 2 100 - 2 - HB2 GLU 89 - HG13 ILE 5 lone 2 43 - 5 - HB3 GLU 89 - HG13 ILE 5 lone 2 43 - 5 - HB2 GLU 47 - HG13 ILE 57 lone 2 100 - 2 - HB3 GLN 85 - HG13 ILE 57 lone 2 73 - 3 - HB2 LYS 94 - HG13 ILE 57 lone 2 81 - 2 - HB2 GLU 47 - HG13 ILE 5 lone 2 68 - 3 - HB2 GLU 66 - HG13 ILE 5 lone 2 43 - 4 - HB3 GLU 91 - HG13 ILE 57 lone 2 84 - 2 - HB2 GLU 89 - HG13 ILE 57 lone 2 73 - 2 - HB3 GLU 89 - HG13 ILE 57 lone 2 73 - 2 - HG3 GLU 52 - HG13 ILE 57 lone 2 87 - 2 - HB2 LYS 94 - HG13 ILE 5 lone 2 48 - 3 - HB3 GLU 91 - HG13 ILE 5 lone 1 50 - 3 - HB2 GLU 48 - HG13 ILE 57 lone 1 73 - 2 - HB3 GLU 48 - HG13 ILE 57 lone 1 73 - 2 - HB3 GLU 87 - HG13 ILE 5 lone 1 43 - 3 - HB3 GLN 85 - HG13 ILE 5 lone 1 43 - 3 - HB2 GLU 48 - HG13 ILE 5 lone 1 43 - 2 - HB3 GLU 48 - HG13 ILE 5 lone 1 43 - 2 - Peak 9564 from cnoeabs.peaks (2.67, 0.84, 17.77 ppm; 5.83 A): 0 out of 9 assignments used, low quality = 0.36: HB2 TYR 27 - QG2 ILE 57 OK 23 87 - 27 - 4.4/4596=4, ~4582=4...(10) HB2 TYR 76 - QG2 ILE 57 OK 17 90 - 19 - ~9561=15, ~11279=3 HB3 ASP 110 - QG2 ILE 57 lone 8 98 - 8 - 11419/3.2=2, ~10377=1 HE3 LYS 61 - QG2 ILE 57 lone 3 100 - 3 - HB3 ASN 33 - QG2 ILE 57 lone 3 81 - 3 - ~10794=1 HE2 LYS 61 - QG2 ILE 57 lone 2 90 - 3 - HB3 ASP 84 - QG2 ILE 57 lone 2 90 - 2 - HB3 ASP 36 - QG2 ILE 57 lone 1 84 - 2 - HG2 MET 42 - QG2 ILE 57 lone 1 61 - 2 - Peak 9566 from cnoeabs.peaks (5.04, 0.84, 17.77 ppm; 4.81 A): 2 out of 2 assignments used, quality = 0.71: HA ILE 56 + QG2 ILE 57 OK 52 81 - 65 - 339/4.0=26, 9572/3.0=16...(10) HA VAL 29 + QG2 ILE 57 OK 40 100 - 40 - 9572/3.0=16, 9568/2.1=8...(6) Peak 9567 from cnoeabs.peaks (5.20, 0.84, 17.77 ppm; 4.65 A): 2 out of 2 assignments used, quality = 0.81: HA ASP 31 + QG2 ILE 57 OK 72 94 - 77 - 9569/2.1=33, 9570/4.0=30...(11) HA ILE 7 + QG2 ILE 57 OK 30 57 - 53 - ~9581=14, 3.0/10672=9...(14) Peak 9568 from cnoeabs.peaks (5.05, 1.82, 38.95 ppm; 5.67 A): 2 out of 2 assignments used, quality = 0.88: HA ILE 56 + HB ILE 57 OK 78 100 - 78 - 339/4.0=38, 9575/2.9=29...(9) HA VAL 29 + HB ILE 57 OK 48 90 - 53 - 9575/2.9=16, 9572/3.2=16...(7) Peak 9569 from cnoeabs.peaks (5.21, 1.82, 38.95 ppm; 4.19 A): 1 out of 2 assignments used, quality = 0.79: HA ASP 31 + HB ILE 57 OK 79 100 - 79 - 9270=32, 9570/4.0=28...(10) HA VAL 104 - HB ILE 57 lone 4 70 - 6 - 3.6/1695=1 Peak 9572 from cnoeabs.peaks (5.04, 0.71, 13.94 ppm; 4.85 A): 2 out of 2 assignments used, quality = 0.78: HA VAL 29 + QD1 ILE 57 OK 54 100 - 54 - 3.6/11362=24...(7) HA ILE 56 + QD1 ILE 57 OK 52 81 - 65 - 339/4.9=21, 9566/3.0=19...(10) Peak 9573 from cnoeabs.peaks (5.21, 0.71, 13.94 ppm; 5.03 A): 1 out of 2 assignments used, quality = 0.87: HA ASP 31 + QD1 ILE 57 OK 87 100 - 87 - 9569/3.2=37, 9570/4.9=31...(13) HA VAL 104 - QD1 ILE 57 lone 3 70 - 5 - 9569/3.2=2 Peak 9574 from cnoeabs.peaks (6.91, 0.71, 13.94 ppm; 6.20 A): 0 out of 3 assignments used, low quality = 0.00: H TYR 102 - QD1 ILE 57 lone 2 73 - 3 - HE22 GLN 85 - QD1 ILE 57 lone 2 90 - 2 - HE22 GLN 62 - QD1 ILE 57 lone 1 73 - 2 - Peak 9575 from cnoeabs.peaks (5.06, 1.46, 27.65 ppm; 4.31 A): 2 out of 2 assignments used, quality = 0.67: HA ILE 56 + HG12 ILE 57 OK 53 100 - 53 - 339/4.6=23, 9568/2.9=12...(9) HA VAL 29 + HG12 ILE 57 OK 30 81 - 37 - 9572/2.1=10, 9568/2.9=8...(7) Peak 9577 from cnoeabs.peaks (8.44, 1.82, 38.95 ppm; 5.39 A): 3 out of 5 assignments used, quality = 0.86: H VAL 32 + HB ILE 57 OK 81 100 - 81 - 3.6/9569=38...(9) H GLN 83 + HB ILE 57 OK 19 100 - 19 - 9578/2.1=6, 9576/4.0=6 H ASN 10 + HB ILE 57 OK 13 100 - 13 - 9578/2.1=5, 9576/4.0=2...(4) H GLN 62 - HB ILE 57 lone 5 99 - 5 - 9576/4.0=2, 9578/2.1=2 H ILE 3 - HB ILE 57 lone 4 98 - 4 - 9578/2.1=1, 9576/4.0=1 Peak 9578 from cnoeabs.peaks (8.43, 0.84, 17.77 ppm; 6.14 A): 3 out of 5 assignments used, quality = 0.88: H VAL 32 + QG2 ILE 57 OK 77 96 - 81 - 3.6/9567=31, 9577/2.1=30...(9) H GLN 83 + QG2 ILE 57 OK 30 99 - 30 - 9577/2.1=7, 9576/4.0=7...(8) H ASN 10 + QG2 ILE 57 OK 22 97 - 22 - 4.6/9579=13, 9577/2.1=5 H GLN 62 - QG2 ILE 57 lone 7 100 - 7 - 9576/4.0=2, 9577/2.1=2 H ILE 3 - QG2 ILE 57 lone 6 90 - 7 - 4.0/9007=2, 9577/2.1=1 Peak 9579 from cnoeabs.peaks (8.04, 0.84, 17.77 ppm; 4.91 A): 0 out of 9 assignments used, low quality = 0.34: H THR 9 - QG2 ILE 57 OK 24 100 - 24 - 9127/4.4=16, 4.6/9578=3...(4) H VAL 22 - QG2 ILE 57 OK 13 99 - 13 - 4.6/9204=9, 9585/4.4=2 H ARG 118 - QG2 ILE 57 poor 9 73 - 12 - ~11516=3, ~10542=2...(5) H LYS 65 - QG2 ILE 57 lone 7 99 - 8 - 9585/4.4=4 H GLN 122 - QG2 ILE 57 lone 7 87 - 7 - 775/2.1=2, 4.6/10588=2...(4) H ASP 109 - QG2 ILE 57 lone 3 98 - 3 - 10354/3.2=1 H SER 72 - QG2 ILE 57 lone 2 61 - 3 - 9585/4.4=1 H LEU 90 - QG2 ILE 57 lone 2 99 - 2 - H HIS 131 - QG2 ILE 57 lone 1 70 - 1 - Peak 9581 from cnoeabs.peaks (8.93, 0.71, 13.94 ppm; 5.65 A): 1 out of 1 assignment used, quality = 0.58: H ILE 7 + QD1 ILE 57 OK 58 100 - 58 - 9078/4.2=19...(10) Peak 9582 from cnoeabs.peaks (7.85, 3.42, 66.61 ppm; 6.20 A): 1 out of 7 assignments used, quality = 0.85: H ASP 60 + HB3 SER 58 OK 85 90 - 95 - 9633=43, 9630/2.8=43...(9) H VAL 78 - HB3 SER 58 lone 3 73 - 4 - HE21 GLN 62 - HB3 SER 58 lone 2 100 - 2 - H TYR 27 - HB3 SER 58 lone 2 100 - 2 - H LYS 39 - HB3 SER 58 lone 2 70 - 3 - 10960/9601=1 H SER 126 - HB3 SER 58 lone 2 77 - 3 - H ILE 97 - HB3 SER 58 lone 2 77 - 2 - Peak 9583 from cnoeabs.peaks (7.86, 3.78, 66.61 ppm; 5.33 A): 1 out of 5 assignments used, quality = 0.94: H ASP 60 + HB2 SER 58 OK 94 99 - 95 - 9632=46, 9630/2.8=46...(9) H SER 126 - HB2 SER 58 lone 2 100 - 2 - HE21 GLN 62 - HB2 SER 58 lone 1 77 - 2 - H TYR 27 - HB2 SER 58 lone 1 70 - 2 - H LEU 127 - HB2 SER 58 lone 1 57 - 2 - Peak 9584 from cnoeabs.peaks (8.42, 5.01, 56.73 ppm; 4.82 A): 0 out of 4 assignments used, low quality = 0.24: H VAL 32 - HA SER 58 OK 24 61 - 39 - 9285=26, 3.9/11680=12...(5) H GLN 83 - HA SER 58 lone 2 77 - 2 - H GLN 62 - HA SER 58 lone 1 87 - 2 - H ASN 10 - HA SER 58 lone 1 65 - 2 - Peak 9590 from cnoeabs.peaks (5.09, 3.78, 66.61 ppm; 3.71 A): 1 out of 1 assignment used, quality = 1.00: * HG SER 58 + HB2 SER 58 OK 100 100 - 100 - 2.8=100 Peak 9591 from cnoeabs.peaks (5.08, 3.42, 66.61 ppm; 4.16 A): 1 out of 1 assignment used, quality = 0.90: HG SER 58 + HB3 SER 58 OK 90 90 - 100 - 2.8=100 Peak 9593 from cnoeabs.peaks (5.90, 3.42, 66.61 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.55: HA ASN 8 + HB3 SER 58 OK 55 100 - 55 - 9589/4.0=44, 9091/4.5=13 Peak 9596 from cnoeabs.peaks (1.87, 3.78, 66.61 ppm; 4.41 A): 3 out of 11 assignments used, quality = 0.83: QE MET 67 + HB2 SER 58 OK 58 81 - 72 - 9727/1.8=33, 9735/2.8=24...(9) HB2 LEU 63 + HB2 SER 58 OK 53 99 - 54 - 3.1/11547=17...(10) QE MET 42 + HB2 SER 58 OK 13 100 - 13 - 11685/9785=2...(5) HB2 ARG 105 - HB2 SER 58 lone 4 94 - 4 - ~9602=1 HG LEU 70 - HB2 SER 58 lone 3 65 - 4 - 4.8/2110=2, 438/2117=1 HG LEU 45 - HB2 SER 58 lone 3 73 - 3 - HB2 LYS 16 - HB2 SER 58 lone 2 81 - 3 - HB3 LYS 16 - HB2 SER 58 lone 2 77 - 3 - HG LEU 127 - HB2 SER 58 lone 2 96 - 2 - HB3 ARG 118 - HB2 SER 58 lone 2 99 - 2 - HG2 ARG 95 - HB2 SER 58 lone 1 92 - 1 - Peak 9597 from cnoeabs.peaks (1.77, 3.78, 66.61 ppm; 4.75 A): 3 out of 9 assignments used, quality = 0.91: HB VAL 32 + HB2 SER 58 OK 79 100 - 80 - 11681/2.8=26...(11) HB2 LEU 64 + HB2 SER 58 OK 50 73 - 68 - ~10438=21, ~11268=15...(10) HG12 ILE 18 + HB2 SER 58 OK 13 96 - 14 - 9602/1.8=4, 1.8/9600=2...(6) HB2 LEU 55 - HB2 SER 58 lone 7 87 - 8 - 3.1/11555=3, 9602/1.8=2 HB2 LYS 19 - HB2 SER 58 lone 3 77 - 4 - ~9606=2 HB2 LEU 90 - HB2 SER 58 lone 2 100 - 2 - HB3 GLN 28 - HB2 SER 58 lone 2 92 - 2 - HG2 LYS 17 - HB2 SER 58 lone 1 65 - 2 - HB3 LYS 49 - HB2 SER 58 lone 1 65 - 1 - Peak 9598 from cnoeabs.peaks (1.63, 3.78, 66.61 ppm; 5.58 A): 3 out of 14 assignments used, quality = 0.98: HB3 LEU 64 + HB2 SER 58 OK 78 100 - 78 - ~10438=28, ~11268=21...(10) HG LEU 64 + HB2 SER 58 OK 74 92 - 81 - ~10438=33, ~11268=25...(9) HG LEU 63 + HB2 SER 58 OK 65 87 - 75 - 2.1/11547=29, ~11558=21...(9) HG LEU 114 - HB2 SER 58 poor 8 61 - 13 - ~10438=7, 2.1/9599=4 HB ILE 116 - HB2 SER 58 lone 7 100 - 7 - 9603/1.8=1, 11636/9956=1 HB ILE 5 - HB2 SER 58 lone 5 81 - 6 - ~9607=1 HG2 LYS 16 - HB2 SER 58 lone 5 99 - 4 - HB2 LEU 82 - HB2 SER 58 lone 4 90 - 4 - HG LEU 90 - HB2 SER 58 lone 3 97 - 3 - HD2 LYS 77 - HB2 SER 58 lone 3 96 - 3 - HD3 LYS 77 - HB2 SER 58 lone 3 94 - 3 - HB3 LEU 127 - HB2 SER 58 lone 2 61 - 3 - HG3 LYS 40 - HB2 SER 58 lone 2 87 - 2 - HD3 LYS 65 - HB2 SER 58 lone 2 61 - 3 - Peak 9599 from cnoeabs.peaks (0.80, 3.78, 66.61 ppm; 4.24 A): 5 out of 8 assignments used, quality = 0.83: QD1 LEU 64 + HB2 SER 58 OK 53 84 - 63 - 10438/1.8=31, ~11268=14...(10) QD2 LEU 64 + HB2 SER 58 OK 32 65 - 49 - ~10438=21, 11268/2.8=11...(7) QG2 ILE 71 + HB2 SER 58 OK 29 73 - 39 - 2.1/8147=11, 3.3/9784=9...(6) QD1 LEU 81 + HB2 SER 58 OK 13 87 - 15 - 2.1/9956=4, 11606=4...(6) QD1 LEU 114 + HB2 SER 58 OK 11 99 - 11 - 10438/1.8=7, 10437/4.0=1 QD1 LEU 74 - HB2 SER 58 lone 2 73 - 3 - QD2 LEU 74 - HB2 SER 58 lone 1 65 - 2 - QG1 VAL 29 - HB2 SER 58 lone 1 100 - 1 - Peak 9600 from cnoeabs.peaks (0.72, 3.78, 66.61 ppm; 4.34 A): 5 out of 11 assignments used, quality = 0.85: QD2 LEU 63 + HB2 SER 58 OK 53 90 - 59 - 11547=18, ~11558=13...(10) QD1 ILE 57 + HB2 SER 58 OK 37 84 - 44 - ~11686=16, 7586/4.0=10...(7) QD1 LEU 6 + HB2 SER 58 OK 28 99 - 28 - 11562=10, ~11558=7...(7) QD2 LEU 6 + HB2 SER 58 OK 19 77 - 25 - 2.1/11562=8, 11558/2.8=7...(7) QD2 LEU 81 + HB2 SER 58 OK 15 81 - 18 - 9956=4, 2.1/11606=4...(5) HG13 ILE 18 - HB2 SER 58 lone 9 94 - 10 - ~9602=3, 1.8/9597=3 QG2 ILE 18 - HB2 SER 58 lone 9 100 - 9 - ~9602=2, 3.2/9597=2...(4) QD2 LEU 55 - HB2 SER 58 lone 5 73 - 7 - 2.1/11555=3, ~9602=1, 3.1/9597=1 QG2 VAL 78 - HB2 SER 58 lone 5 99 - 5 - 2.1/9867=2 QD2 LEU 45 - HB2 SER 58 lone 4 99 - 4 - QG1 VAL 117 - HB2 SER 58 lone 4 100 - 4 - Peak 9601 from cnoeabs.peaks (1.87, 3.42, 66.61 ppm; 4.49 A): 2 out of 12 assignments used, quality = 0.90: QE MET 67 + HB3 SER 58 OK 76 94 - 81 - 9727=45, 9735/2.8=31...(7) HB2 LEU 63 + HB3 SER 58 OK 58 100 - 58 - 9596/1.8=15, ~11547=13...(11) QE MET 42 - HB3 SER 58 lone 7 99 - 7 - 9596/1.8=4, 10946/11251=1 HB2 ARG 105 - HB3 SER 58 lone 4 81 - 5 - 3.0/9602=2, 9596/1.8=1 HG LEU 45 - HB3 SER 58 lone 3 90 - 3 - HB2 LYS 16 - HB3 SER 58 lone 3 94 - 3 - HB3 LYS 16 - HB3 SER 58 lone 3 92 - 3 - HB3 ARG 118 - HB3 SER 58 lone 2 100 - 2 - HG2 ARG 95 - HB3 SER 58 lone 1 99 - 1 - HG LEU 127 - HB3 SER 58 lone 1 84 - 2 - HB3 LYS 20 - HB3 SER 58 lone 1 61 - 1 - HB2 LYS 20 - HB3 SER 58 lone 1 61 - 1 - Peak 9602 from cnoeabs.peaks (1.76, 3.42, 66.61 ppm; 4.94 A): 2 out of 10 assignments used, quality = 0.66: HB VAL 32 + HB3 SER 58 OK 61 81 - 76 - 11681/2.8=21, ~9290=21...(8) HG12 ILE 18 + HB3 SER 58 OK 13 100 - 13 - 9597/1.8=3, 2921/4.5=2...(6) HB2 LEU 55 - HB3 SER 58 lone 8 100 - 8 - ~11555=4, 9597/1.8=1 HG3 ARG 105 - HB3 SER 58 lone 6 92 - 7 - 7844/4.0=2 HB2 LEU 68 - HB3 SER 58 lone 5 77 - 7 - ~4991=3, ~4984=3 HG2 LYS 17 - HB3 SER 58 lone 2 97 - 2 - HB2 LEU 80 - HB3 SER 58 lone 2 94 - 2 - HB2 LEU 90 - HB3 SER 58 lone 2 81 - 2 - HD3 LYS 123 - HB3 SER 58 lone 1 81 - 1 - HB3 LYS 49 - HB3 SER 58 lone 1 97 - 1 - Peak 9603 from cnoeabs.peaks (1.63, 3.42, 66.61 ppm; 5.21 A): 3 out of 12 assignments used, quality = 0.97: HB3 LEU 64 + HB3 SER 58 OK 75 100 - 75 - 3.1/10438=32...(8) HG LEU 63 + HB3 SER 58 OK 69 97 - 72 - ~11547=21, ~11558=19...(10) HG LEU 64 + HB3 SER 58 OK 60 77 - 78 - 2.1/10438=36...(9) HB ILE 116 - HB3 SER 58 lone 7 100 - 7 - 9598/1.8=1 HG2 LYS 16 - HB3 SER 58 lone 4 100 - 4 - HB2 LEU 82 - HB3 SER 58 lone 3 98 - 3 - HB ILE 5 - HB3 SER 58 lone 2 61 - 4 - ~9607=1 HG LEU 90 - HB3 SER 58 lone 2 87 - 3 - HD3 LYS 77 - HB3 SER 58 lone 2 99 - 2 - HD2 LYS 77 - HB3 SER 58 lone 2 100 - 2 - HB3 LEU 127 - HB3 SER 58 lone 2 81 - 3 - HG3 LYS 40 - HB3 SER 58 lone 2 97 - 2 - Peak 9604 from cnoeabs.peaks (0.78, 3.42, 66.61 ppm; 4.07 A): 3 out of 10 assignments used, quality = 0.80: QD2 LEU 64 + HB3 SER 58 OK 59 100 - 59 - 2.1/10438=26...(9) QG2 VAL 32 + HB3 SER 58 OK 43 70 - 62 - 2.1/9602=16, ~11681=13...(9) QD1 LEU 81 + HB3 SER 58 OK 13 94 - 14 - 11606/1.8=4, 2.1/9605=3...(5) QD2 LEU 80 - HB3 SER 58 lone 2 99 - 2 - QD1 LEU 82 - HB3 SER 58 lone 1 100 - 1 - QD1 LEU 80 - HB3 SER 58 lone 1 99 - 1 - QD1 ILE 15 - HB3 SER 58 lone 1 73 - 1 - QG1 VAL 107 - HB3 SER 58 lone 1 70 - 1 - QD2 LEU 14 - HB3 SER 58 lone 1 70 - 1 - QD1 ILE 7 - HB3 SER 58 lone 0 84 - 1 - Peak 9605 from cnoeabs.peaks (0.71, 3.42, 66.61 ppm; 4.49 A): 6 out of 9 assignments used, quality = 0.94: QD2 LEU 63 + HB3 SER 58 OK 60 100 - 61 - 11547/1.8=22, ~11558=14...(10) QD1 ILE 57 + HB3 SER 58 OK 49 100 - 49 - 3.0/11686=14...(7) QG2 ILE 56 + HB3 SER 58 OK 40 77 - 52 - 11251=32, 11250/1.8=14...(6) QD1 LEU 6 + HB3 SER 58 OK 26 98 - 27 - 11562/1.8=12, ~11558=7...(6) QD2 LEU 81 + HB3 SER 58 OK 23 100 - 23 - 9956/1.8=5, 2.1/9604=4...(7) QG2 ILE 18 + HB3 SER 58 OK 10 94 - 11 - 3.2/9602=4, ~9597=2...(5) QG2 VAL 78 - HB3 SER 58 lone 3 73 - 5 - ~9867=2 QG1 VAL 117 - HB3 SER 58 lone 3 87 - 3 - QD2 LEU 45 - HB3 SER 58 lone 2 73 - 3 - Peak 9606 from cnoeabs.peaks (1.84, 5.01, 56.73 ppm; 4.53 A): 1 out of 10 assignments used, quality = 0.62: HB ILE 57 + HA SER 58 OK 62 77 - 80 - ~346=18, 2.1/9607=17...(15) HB3 LYS 19 - HA SER 58 lone 7 99 - 7 - 10790/9285=6 QE MET 121 - HA SER 58 lone 6 96 - 6 - 10790/9285=2, 10601/9608=1 HB ILE 18 - HA SER 58 lone 5 70 - 8 - ~9602=2, ~9597=1, 2907/3.6=1 HB2 ARG 105 - HA SER 58 lone 4 61 - 7 - ~346=2, ~7840=1, ~7844=1 HB3 LYS 77 - HA SER 58 lone 1 100 - 1 - HD2 LYS 123 - HA SER 58 lone 1 99 - 1 - HB2 LYS 77 - HA SER 58 lone 1 99 - 1 - HG LEU 70 - HA SER 58 lone 1 92 - 1 - HB2 LEU 14 - HA SER 58 lone 1 77 - 1 - Peak 9607 from cnoeabs.peaks (0.84, 5.01, 56.73 ppm; 4.90 A): 2 out of 8 assignments used, quality = 0.95: QG2 ILE 57 + HA SER 58 OK 89 100 - 89 - 348/3.0=29, 2.1/9606=28...(15) HG13 ILE 57 + HA SER 58 OK 54 65 - 82 - 2.9/9606=25, ~11686=16...(15) QG2 ILE 15 - HA SER 58 lone 9 98 - 9 - 9612/3.6=4, ~9594=2, 348/3.0=2 QG2 ILE 5 - HA SER 58 lone 7 100 - 7 - 9612/3.6=2, 9724/9734=1 HG13 ILE 5 - HA SER 58 lone 6 99 - 6 - 9612/3.6=2, 9724/9734=1 QD2 LEU 82 - HA SER 58 lone 4 73 - 5 - 9612/3.6=2, 348/3.0=1 QD1 LEU 14 - HA SER 58 lone 2 65 - 3 - 9724/9734=1 QG2 VAL 22 - HA SER 58 lone 2 84 - 2 - Peak 9608 from cnoeabs.peaks (0.70, 5.01, 56.73 ppm; 5.14 A): 3 out of 9 assignments used, quality = 0.97: QD1 ILE 57 + HA SER 58 OK 82 94 - 87 - 3.2/9606=26, 7586/3.0=19...(15) QG2 ILE 56 + HA SER 58 OK 64 99 - 64 - 11251/3.0=38...(7) QD2 LEU 63 + HA SER 58 OK 51 90 - 57 - 11547/3.0=20, 9605/3.0=8...(11) QD2 LEU 81 - HA SER 58 OK 27 96 - 29 - 351/3.0=6, 9956/3.0=5...(10) QD1 LEU 6 - HA SER 58 OK 16 70 - 22 - 11562/3.0=7, 9605/3.0=4...(7) QD1 LEU 55 - HA SER 58 poor 9 81 - 11 - 11555/3.0=3, 11358/3.0=2...(4) QD2 LEU 4 - HA SER 58 lone 4 57 - 7 - 11555/3.0=3, 10737/9734=2 QG2 ILE 97 - HA SER 58 lone 3 73 - 4 - ~10124=2 QD1 ILE 116 - HA SER 58 lone 2 65 - 3 - Peak 9621 from cnoeabs.peaks (0.75, 2.87, 38.96 ppm; 5.22 A): 4 out of 11 assignments used, quality = 0.62: QD1 LEU 63 + HB3 ASN 59 OK 34 87 - 39 - 9649/4.6=12, 9613/4.0=11...(5) QD1 ILE 15 + HB3 ASN 59 OK 22 90 - 25 - 9176/3.5=20, 9617/3.5=5 QG2 ILE 54 + HB3 ASN 59 OK 17 97 - 18 - 9488/3.0=9, ~9495=4...(4) QD2 LEU 14 + HB3 ASN 59 OK 10 92 - 11 - 9618/3.5=4, 9170/1.8=3...(4) QD1 LEU 45 - HB3 ASN 59 lone 9 100 - 9 - 9440=4, 2.1/9437=2 QD2 LEU 6 - HB3 ASN 59 lone 6 65 - 9 - 9613/4.0=4, 9649/4.6=3 QG2 ILE 7 - HB3 ASN 59 lone 6 94 - 6 - 9088/4.0=4, 9649/4.6=1 QG2 VAL 32 - HB3 ASN 59 lone 3 92 - 3 - 9618/3.5=1 QD2 LEU 55 - HB3 ASN 59 lone 3 70 - 4 - 9613/4.0=2, 9649/4.6=1 QG1 VAL 107 - HB3 ASN 59 lone 2 92 - 2 - QD1 ILE 7 - HB3 ASN 59 lone 2 81 - 2 - Peak 9627 from cnoeabs.peaks (7.67, 2.73, 42.95 ppm; 5.60 A): 3 out of 3 assignments used, quality = 0.87: H LEU 63 + HB2 ASP 60 OK 82 99 - 83 - 9628/1.8=30, 4.0/9638=21...(8) HE ARG 118 + HB2 ASP 60 OK 14 100 - 14 - 9628/1.8=5, 4730/9639=1...(7) H GLU 21 + HB2 ASP 60 OK 14 100 - 14 - 9628/1.8=5, 4730/9639=2...(6) Peak 9628 from cnoeabs.peaks (7.67, 2.57, 42.95 ppm; 5.68 A): 3 out of 3 assignments used, quality = 0.88: H LEU 63 + HB3 ASP 60 OK 84 100 - 84 - 9627/1.8=31, 9672=28...(7) HE ARG 118 + HB3 ASP 60 OK 13 98 - 14 - 9627/1.8=5, 4723/9644=2...(6) H GLU 21 + HB3 ASP 60 OK 13 97 - 14 - 9627/1.8=5, 4723/9644=2...(5) Peak 9638 from cnoeabs.peaks (1.86, 2.73, 42.95 ppm; 5.16 A): 2 out of 12 assignments used, quality = 0.87: HB2 LEU 63 + HB2 ASP 60 OK 85 90 - 95 - 3.1/9641=24, 3.0/9639=24...(16) HG LEU 127 + HB2 ASP 60 OK 12 100 - 12 - 9642/1.8=3, 3.0/9639=3...(4) QE MET 67 - HB2 ASP 60 poor 7 57 - 13 - 9646/4.0=6, 9642/1.8=2...(4) HB3 ARG 118 - HB2 ASP 60 lone 5 90 - 6 - 5.1/9627=3, 9642/1.8=2 QE MET 42 - HB2 ASP 60 lone 5 98 - 5 - 9642/1.8=1 HB2 LYS 77 - HB2 ASP 60 lone 4 70 - 6 - 3.6/9639=1, 3.6/9639=1 HB3 LYS 77 - HB2 ASP 60 lone 4 61 - 6 - 3.6/9639=1, 3.6/9639=1...(4) HB2 LYS 16 - HB2 ASP 60 lone 3 57 - 5 - HB2 ARG 105 - HB2 ASP 60 lone 2 100 - 2 - HG LEU 70 - HB2 ASP 60 lone 2 87 - 2 - HG2 ARG 95 - HB2 ASP 60 lone 1 73 - 2 - HD2 LYS 123 - HB2 ASP 60 lone 1 70 - 2 - Peak 9639 from cnoeabs.peaks (1.61, 2.73, 42.95 ppm; 4.97 A): 2 out of 14 assignments used, quality = 0.87: HG LEU 63 + HB2 ASP 60 OK 85 92 - 92 - 2.1/9641=27, 9643/1.8=22...(15) HB3 LEU 127 + HB2 ASP 60 OK 11 100 - 11 - 3.0/9638=3, 9643/1.8=2...(5) HD3 LYS 77 - HB2 ASP 60 lone 5 84 - 6 - 9643/1.8=1, ~9643=1 HD2 LYS 77 - HB2 ASP 60 lone 5 81 - 6 - 9643/1.8=1, ~9643=1 HB3 LEU 64 - HB2 ASP 60 lone 4 61 - 7 - 1412/9627=2, 9643/1.8=1 HB2 LEU 82 - HB2 ASP 60 lone 3 90 - 4 - HG2 LYS 16 - HB2 ASP 60 lone 3 70 - 5 - HG LEU 82 - HB2 ASP 60 lone 2 87 - 2 - HG3 LYS 40 - HB2 ASP 60 lone 2 92 - 2 - HB ILE 116 - HB2 ASP 60 lone 1 57 - 2 - HG2 LYS 73 - HB2 ASP 60 lone 1 84 - 1 - HG3 LYS 19 - HB2 ASP 60 lone 1 81 - 1 - HD3 LYS 19 - HB2 ASP 60 lone 1 73 - 1 - HD2 LYS 19 - HB2 ASP 60 lone 1 73 - 1 - Peak 9640 from cnoeabs.peaks (1.42, 2.73, 42.95 ppm; 6.10 A): 2 out of 9 assignments used, quality = 0.90: HB3 LEU 63 + HB2 ASP 60 OK 88 90 - 98 - 1.8/9638=32, 3.0/9639=30...(16) HB3 LYS 61 + HB2 ASP 60 OK 19 70 - 28 - 4.6/11182=21...(4) HG12 ILE 56 - HB2 ASP 60 poor 9 87 - 11 - 9648/4.0=3, 4747/9641=2...(4) HB3 GLN 83 - HB2 ASP 60 lone 5 99 - 5 - 9648/4.0=1 QB ALA 113 - HB2 ASP 60 lone 4 99 - 4 - HG3 LYS 16 - HB2 ASP 60 lone 4 61 - 6 - ~9643=1, 1.8/9639=1 HG3 LYS 17 - HB2 ASP 60 lone 3 81 - 4 - 9648/4.0=1 HG3 LYS 106 - HB2 ASP 60 lone 2 84 - 2 - HB3 LEU 114 - HB2 ASP 60 lone 2 65 - 2 - Peak 9641 from cnoeabs.peaks (0.73, 2.73, 42.95 ppm; 4.25 A): 2 out of 11 assignments used, quality = 0.83: QD1 LEU 63 + HB2 ASP 60 OK 81 92 - 88 - 9645/1.8=24, 2.1/9639=19...(18) QD2 LEU 6 + HB2 ASP 60 OK 12 99 - 12 - 9645/1.8=4, 9649/4.0=3, ~9645=1 QD2 LEU 45 - HB2 ASP 60 lone 9 98 - 9 - 9438=3, 9645/1.8=2...(4) QG2 VAL 78 - HB2 ASP 60 lone 8 98 - 8 - 2.1/9866=5, 9645/1.8=2 QD1 LEU 6 - HB2 ASP 60 lone 5 73 - 7 - ~9645=2, 9645/1.8=2, ~9686=1 QD2 LEU 55 - HB2 ASP 60 lone 5 99 - 5 - 9645/1.8=1, ~9514=1, 9649/4.0=1 QG2 ILE 54 - HB2 ASP 60 lone 4 77 - 6 - 9649/4.0=2, 9645/1.8=1 QG2 ILE 7 - HB2 ASP 60 lone 4 84 - 4 - 9649/4.0=1 HG13 ILE 18 - HB2 ASP 60 lone 3 100 - 3 - QG2 ILE 18 - HB2 ASP 60 lone 2 84 - 2 - QG1 VAL 117 - HB2 ASP 60 lone 2 92 - 2 - Peak 9642 from cnoeabs.peaks (1.86, 2.57, 42.95 ppm; 5.46 A): 2 out of 12 assignments used, quality = 0.88: HB2 LEU 63 + HB3 ASP 60 OK 86 90 - 96 - 1.8/9644=33, 9638/1.8=28...(15) HG LEU 127 + HB3 ASP 60 OK 12 100 - 12 - 9638/1.8=4, 3.0/9643=3...(4) QE MET 67 - HB3 ASP 60 poor 9 57 - 16 - 9646/4.0=6, 9638/1.8=2...(6) HB3 ARG 118 - HB3 ASP 60 lone 6 90 - 6 - 5.1/9628=3, 9638/1.8=2 QE MET 42 - HB3 ASP 60 lone 5 98 - 5 - 9638/1.8=2 HB2 LYS 77 - HB3 ASP 60 lone 5 70 - 7 - 3.6/9643=2, 3.6/9643=2 HB3 LYS 77 - HB3 ASP 60 lone 4 61 - 7 - 3.6/9643=2, 3.6/9643=2...(4) HB2 LYS 16 - HB3 ASP 60 lone 3 57 - 5 - 3.0/9643=1 HG LEU 70 - HB3 ASP 60 lone 2 87 - 2 - HB2 ARG 105 - HB3 ASP 60 lone 2 100 - 2 - HG2 ARG 95 - HB3 ASP 60 lone 1 73 - 2 - HD2 LYS 123 - HB3 ASP 60 lone 1 70 - 2 - Peak 9643 from cnoeabs.peaks (1.62, 2.57, 42.95 ppm; 4.99 A): 2 out of 10 assignments used, quality = 0.95: HG LEU 63 + HB3 ASP 60 OK 94 100 - 94 - 2.1/9645=28, 9679=25...(16) HB3 LEU 127 + HB3 ASP 60 OK 11 96 - 11 - 9639/1.8=3, 3.0/9642=3...(5) HD3 LYS 77 - HB3 ASP 60 lone 6 100 - 6 - 9639/1.8=1, ~9639=1 HD2 LYS 77 - HB3 ASP 60 lone 6 100 - 6 - ~9639=1, 9639/1.8=1 HB3 LEU 64 - HB3 ASP 60 lone 6 96 - 6 - 1412/9628=2, 9639/1.8=1 HB2 LEU 82 - HB3 ASP 60 lone 4 100 - 4 - HG2 LYS 16 - HB3 ASP 60 lone 4 98 - 4 - HB ILE 116 - HB3 ASP 60 lone 2 94 - 2 - HG3 LYS 40 - HB3 ASP 60 lone 2 100 - 2 - HG LEU 90 - HB3 ASP 60 lone 1 65 - 1 - Peak 9644 from cnoeabs.peaks (1.43, 2.57, 42.95 ppm; 5.24 A): 1 out of 10 assignments used, quality = 0.94: HB3 LEU 63 + HB3 ASP 60 OK 94 99 - 95 - 3.1/9645=26, 3.0/9643=25...(15) HG12 ILE 56 - HB3 ASP 60 lone 8 99 - 8 - 4747/9645=2, 9648/4.0=2...(4) HB3 LYS 61 - HB3 ASP 60 lone 7 100 - 7 - 9640/1.8=2, 1411/9628=2 HB3 GLN 83 - HB3 ASP 60 lone 3 90 - 4 - HG3 LYS 17 - HB3 ASP 60 lone 3 100 - 3 - HB2 LEU 4 - HB3 ASP 60 lone 2 98 - 2 - HB3 LEU 4 - HB3 ASP 60 lone 2 98 - 2 - HG LEU 80 - HB3 ASP 60 lone 2 92 - 2 - HG3 LYS 44 - HB3 ASP 60 lone 1 97 - 2 - HG2 LYS 96 - HB3 ASP 60 lone 1 94 - 1 - Peak 9645 from cnoeabs.peaks (0.73, 2.57, 42.95 ppm; 4.23 A): 2 out of 11 assignments used, quality = 0.82: QD1 LEU 63 + HB3 ASP 60 OK 79 92 - 86 - 9641/1.8=23, 2.1/9643=19...(15) QD2 LEU 6 + HB3 ASP 60 OK 12 99 - 12 - 9641/1.8=3, 9649/4.0=3, 9686=2 QG2 VAL 78 - HB3 ASP 60 lone 8 98 - 8 - ~9866=4, 9641/1.8=2 QD2 LEU 45 - HB3 ASP 60 lone 7 98 - 7 - 9438/1.8=3, 9649/4.0=1, ~9439=1 QD1 LEU 6 - HB3 ASP 60 lone 5 73 - 7 - ~9641=2, 2.1/9686=2, 9641/1.8=1 QD2 LEU 55 - HB3 ASP 60 lone 4 99 - 4 - 9641/1.8=1, ~9514=1, 9649/4.0=1 QG2 ILE 54 - HB3 ASP 60 lone 4 77 - 5 - 9649/4.0=2, 9641/1.8=1 HG13 ILE 18 - HB3 ASP 60 lone 3 100 - 3 - QG2 ILE 7 - HB3 ASP 60 lone 3 84 - 3 - 9649/4.0=1, 9641/1.8=1 QG1 VAL 117 - HB3 ASP 60 lone 2 92 - 2 - QG2 ILE 18 - HB3 ASP 60 lone 2 84 - 2 - Peak 9652 from cnoeabs.peaks (0.80, 3.72, 59.63 ppm; 3.82 A): 3 out of 6 assignments used, quality = 0.73: QD2 LEU 64 + HA LYS 61 OK 50 84 - 60 - 3.1/8097=20, 2.1/9694=20...(8) QD1 LEU 64 + HA LYS 61 OK 38 65 - 58 - 3.1/8097=20, 9694=14...(7) QD1 LEU 114 + HA LYS 61 OK 11 94 - 12 - 6686=3, 2.1/6693=3...(5) QD1 LEU 81 - HA LYS 61 lone 4 97 - 5 - 4685/9656=1 QD1 LEU 82 - HA LYS 61 lone 3 65 - 4 - 4685/9656=1 QG1 VAL 29 - HA LYS 61 lone 1 99 - 1 - Peak 9656 from cnoeabs.peaks (7.07, 3.72, 59.63 ppm; 5.94 A): 0 out of 1 assignment used, low quality = 0.38: HZ PHE 93 - HA LYS 61 OK 38 84 - 46 - ~9659=23, ~4675=10...(6) Peak 9657 from cnoeabs.peaks (6.23, 3.72, 59.63 ppm; 6.20 A): 0 out of 1 assignment used, low quality = 0.34: HD22 ASN 8 - HA LYS 61 OK 34 65 - 51 - ~9655=28, 9654/3.0=27...(4) Peak 9659 from cnoeabs.peaks (7.15, 1.52, 31.52 ppm; 6.20 A): 0 out of 2 assignments used, low quality = 0.43: QE PHE 93 - HB2 LYS 61 OK 43 92 - 47 - ~9656=29, 4675=10...(5) QE PHE 120 - HB2 LYS 61 lone 4 94 - 5 - 4732/11515=1, 5.6/10557=1 Peak 9661 from cnoeabs.peaks (7.17, 1.10, 28.78 ppm; 5.87 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9674 from cnoeabs.peaks (2.72, 1.87, 40.89 ppm; 5.01 A): 3 out of 6 assignments used, quality = 0.93: HB2 ASP 60 + HB2 LEU 63 OK 84 90 - 94 - 9676/1.8=22, ~9644=22...(16) HG3 GLU 37 + HB2 LEU 63 OK 41 99 - 42 - 9676/1.8=9, 9685/3.1=8...(8) HB3 ASN 50 + HB2 LEU 63 OK 21 70 - 30 - ~11047=7, 9678/3.0=6...(7) HB2 ASN 50 - HB2 LEU 63 OK 20 65 - 31 - ~11047=7, 9678/3.0=6...(7) HE3 LYS 53 - HB2 LEU 63 OK 15 97 - 15 - 9678/3.0=3, 9676/1.8=3...(6) HB3 ASP 109 - HB2 LEU 63 OK 12 99 - 12 - 9676/1.8=3, 9681/3.1=2...(5) Peak 9675 from cnoeabs.peaks (2.57, 1.87, 40.89 ppm; 5.33 A): 2 out of 5 assignments used, quality = 0.99: HB3 ASP 60 + HB2 LEU 63 OK 95 100 - 96 - 9644/1.8=31, 9645/3.1=26...(15) HG2 MET 67 + HB2 LEU 63 OK 79 99 - 80 - 9677/1.8=16, 9679/3.0=14...(20) HB3 ASP 86 - HB2 LEU 63 lone 5 99 - 5 - 9677/1.8=1 HE3 LYS 77 - HB2 LEU 63 lone 5 99 - 5 - 9679/3.0=1, 9677/1.8=1 HB2 ASP 84 - HB2 LEU 63 lone 3 70 - 4 - 10991/11259=1 Peak 9676 from cnoeabs.peaks (2.73, 1.43, 40.89 ppm; 5.11 A): 2 out of 5 assignments used, quality = 0.96: HB2 ASP 60 + HB3 LEU 63 OK 93 98 - 95 - 1.8/9644=29, 9638/1.8=25...(16) HG3 GLU 37 + HB3 LEU 63 OK 39 100 - 40 - 9674/1.8=9, 9681/3.1=8...(8) HE3 LYS 53 - HB3 LEU 63 OK 13 87 - 14 - 9674/1.8=3, 9681/3.1=3...(6) HB3 ASP 109 - HB3 LEU 63 OK 12 100 - 12 - 9674/1.8=2, 9681/3.1=2...(5) HB3 ASN 11 - HB3 LEU 63 lone 4 77 - 5 - Peak 9677 from cnoeabs.peaks (2.57, 1.43, 40.89 ppm; 5.61 A): 2 out of 4 assignments used, quality = 0.99: HB3 ASP 60 + HB3 LEU 63 OK 97 100 - 97 - 9644=37, 9643/3.0=28...(15) HG2 MET 67 + HB3 LEU 63 OK 80 100 - 81 - 9675/1.8=18, 9679/3.0=12...(17) HB3 ASP 86 - HB3 LEU 63 lone 6 100 - 6 - 9675/1.8=1, 9672/4.0=1 HE3 LYS 77 - HB3 LEU 63 lone 5 92 - 5 - 9675/1.8=1, 9672/4.0=1 Peak 9678 from cnoeabs.peaks (2.71, 1.62, 26.77 ppm; 4.55 A): 4 out of 7 assignments used, quality = 0.56: HG3 GLU 37 + HG LEU 63 OK 24 77 - 32 - 9685/2.1=8, 9674/3.0=5...(8) HB3 ASN 50 + HG LEU 63 OK 20 98 - 20 - 9685/2.1=4, 11047/3.7=4...(7) HB2 ASN 50 + HG LEU 63 OK 20 97 - 20 - 9685/2.1=4, 11047/3.7=4...(7) HE3 LYS 53 + HG LEU 63 OK 11 99 - 10 - 9685/2.1=3, 9674/3.0=2...(6) HE2 LYS 19 - HG LEU 63 lone 6 81 - 8 - 11047/3.7=1, 9685/2.1=1...(4) HE3 LYS 19 - HG LEU 63 lone 6 81 - 8 - 11047/3.7=1, 9685/2.1=1...(4) HB3 ASP 109 - HG LEU 63 lone 6 73 - 8 - 9685/2.1=2, 9674/3.0=1...(5) Peak 9679 from cnoeabs.peaks (2.58, 1.62, 26.77 ppm; 4.87 A): 2 out of 5 assignments used, quality = 0.95: HB3 ASP 60 + HG LEU 63 OK 87 94 - 93 - 9643=29, 9645/2.1=25...(16) HG2 MET 67 + HG LEU 63 OK 61 92 - 67 - 9675/3.0=12, ~9725=11...(15) HE3 LYS 77 - HG LEU 63 lone 4 100 - 4 - HB3 ASP 86 - HG LEU 63 lone 3 90 - 4 - HB2 ASP 84 - HG LEU 63 lone 3 90 - 3 - 10994/11254=2 Peak 9680 from cnoeabs.peaks (3.92, 0.71, 22.93 ppm; 3.85 A): 3 out of 5 assignments used, quality = 0.90: HA LEU 38 + QD2 LEU 63 OK 64 97 - 66 - 3.0/10957=16...(12) HA LEU 64 + QD2 LEU 63 OK 52 90 - 58 - 2.9/7614=11, ~390=10...(15) HB2 SER 35 + QD2 LEU 63 OK 40 100 - 40 - 3.0/11048=14, 10797=13...(9) HA GLU 128 - QD2 LEU 63 lone 4 92 - 5 - HA MET 121 - QD2 LEU 63 lone 3 84 - 3 - Peak 9681 from cnoeabs.peaks (2.73, 0.71, 22.93 ppm; 5.23 A): 2 out of 5 assignments used, quality = 0.96: HB2 ASP 60 + QD2 LEU 63 OK 93 98 - 95 - 9641/2.1=27, 9639/2.1=27...(15) HG3 GLU 37 + QD2 LEU 63 OK 43 100 - 44 - 9676/3.1=8, 9685/2.1=8...(8) HE3 LYS 53 - QD2 LEU 63 OK 13 87 - 15 - 9676/3.1=3, 9674/3.1=3...(6) HB3 ASP 109 - QD2 LEU 63 OK 11 100 - 11 - 9676/3.1=3, 9674/3.1=2...(5) HB3 ASN 11 - QD2 LEU 63 lone 5 77 - 6 - 3.0/11262=1 Peak 9682 from cnoeabs.peaks (2.56, 0.71, 22.93 ppm; 6.20 A): 2 out of 3 assignments used, quality = 0.94: HB3 ASP 60 + QD2 LEU 63 OK 81 84 - 97 - 1.8/9681=27, ~9639=27...(14) HG2 MET 67 + QD2 LEU 63 OK 71 87 - 82 - 1.8/9683=21, ~9725=16...(15) HB3 ASP 86 - QD2 LEU 63 lone 5 90 - 6 - 9677/3.1=1, 9672/4.7=1 Peak 9683 from cnoeabs.peaks (2.39, 0.71, 22.93 ppm; 5.94 A): 4 out of 7 assignments used, quality = 0.93: HG3 MET 67 + QD2 LEU 63 OK 81 100 - 81 - 1.8/9682=18, 9719/2.1=15...(19) HG2 GLU 66 + QD2 LEU 63 OK 48 100 - 48 - 11070/4.0=14...(11) HG3 GLN 85 + QD2 LEU 63 OK 18 84 - 22 - 11046/4.0=4, ~11407=3...(9) HG2 GLN 85 + QD2 LEU 63 OK 17 77 - 22 - 11046/4.0=4, ~11407=3...(9) HG2 GLN 122 - QD2 LEU 63 lone 4 81 - 5 - HG2 GLN 25 - QD2 LEU 63 lone 3 94 - 3 - HG2 GLU 98 - QD2 LEU 63 lone 2 77 - 3 - Peak 9684 from cnoeabs.peaks (2.13, 0.71, 22.93 ppm; 4.16 A): 4 out of 10 assignments used, quality = 0.82: HB2 LEU 38 + QD2 LEU 63 OK 70 87 - 81 - 3.1/10987=19...(20) HB VAL 107 + QD2 LEU 63 OK 18 92 - 19 - ~11186=4, ~11254=4...(7) HG3 GLN 83 + QD2 LEU 63 OK 17 94 - 18 - 10013/2.1=9, ~10011=4...(5) HG2 GLU 41 + QD2 LEU 63 OK 11 97 - 12 - ~9401=5, 9399/2.1=4, ~9400=2 HB2 GLU 21 - QD2 LEU 63 lone 7 92 - 7 - 4.1/4737=4, 3128/4.7=1 HB2 GLU 119 - QD2 LEU 63 lone 6 94 - 6 - 3.0/11048=2, 4.0/10544=1 HB3 GLU 119 - QD2 LEU 63 lone 6 87 - 7 - 3.0/11048=2, 4.0/10544=1 HB3 GLU 92 - QD2 LEU 63 lone 4 61 - 7 - ~10909=2, 3.0/11048=2 HB2 GLU 91 - QD2 LEU 63 lone 4 100 - 4 - ~10909=1 HB3 GLU 47 - QD2 LEU 63 lone 1 73 - 1 - Peak 9685 from cnoeabs.peaks (2.72, 0.74, 25.21 ppm; 3.97 A): 5 out of 24 assignments used, quality = 0.82: HB2 ASP 60 + QD1 LEU 63 OK 56 70 - 81 - 1.8/9645=19, 9641=13...(18) HG3 GLU 37 + QD1 LEU 63 OK 34 92 - 37 - 9678/2.1=7, 3.0/9366=5...(11) HB3 ASN 50 + QD1 LEU 63 OK 17 90 - 19 - 9678/2.1=6, ~9678=4...(7) HB2 ASN 50 + QD1 LEU 63 OK 16 87 - 19 - 9678/2.1=6, ~9678=4...(7) HE3 LYS 53 + QD1 LEU 63 OK 11 100 - 11 - 9678/2.1=3, 3.0/9470=2...(6) HB3 ASP 109 - QD1 LEU 63 lone 7 90 - 7 - 9678/2.1=2, 9674/3.1=1...(5) HB2 ASP 60 - QD2 LEU 6 poor 6 51 - 12 - 4.0/9649=3, 1.8/9645=3, 9641=2 HG3 GLU 37 - QD2 LEU 6 lone 6 72 - 8 - 4.9/9360=2, 3.0/9364=1...(4) HE2 LYS 19 - QD1 LEU 63 lone 4 61 - 7 - 9678/2.1=2, ~9678=1 HE3 LYS 19 - QD1 LEU 63 lone 4 61 - 7 - 9678/2.1=2, ~9678=1 HG3 GLU 37 - QD1 LEU 45 lone 2 29 - 6 - 3.0/9364=1, 3.0/9366=1 HB2 ASP 60 - QD1 LEU 45 lone 1 20 - 5 - 9641/2.1=1, ~9645=1 HE3 LYS 53 - QD2 LEU 6 lone 1 84 - 1 - HB3 ASN 50 - QD2 LEU 6 lone 1 69 - 1 - HB2 ASN 50 - QD2 LEU 6 lone 1 67 - 1 - HB3 ASP 109 - QD2 LEU 6 lone 1 69 - 1 - HE3 LYS 19 - QD2 LEU 6 lone 1 45 - 1 - HE2 LYS 19 - QD2 LEU 6 lone 1 45 - 1 - HE3 LYS 53 - QD1 LEU 45 lone 0 36 - 1 - HB3 ASP 109 - QD1 LEU 45 lone 0 28 - 1 - HB3 ASN 50 - QD1 LEU 45 lone 0 28 - 1 - HB2 ASN 50 - QD1 LEU 45 lone 0 27 - 1 - HE3 LYS 19 - QD1 LEU 45 lone 0 17 - 1 - HE2 LYS 19 - QD1 LEU 45 lone 0 17 - 1 - Peak 9686 from cnoeabs.peaks (2.56, 0.74, 25.21 ppm; 4.31 A): 3 out of 12 assignments used, quality = 0.97: HB3 ASP 60 + QD1 LEU 63 OK 86 97 - 88 - 9645=26, 1.8/9641=21...(15) HG2 MET 67 + QD1 LEU 63 OK 61 98 - 63 - 3.3/9725=15, 1.8/9719=11...(15) HG2 MET 67 + QD2 LEU 6 OK 46 79 - 59 - ~11563=12, 9713/2.1=10...(13) HB3 ASP 60 - QD2 LEU 6 OK 12 78 - 15 - 9645=4, 4.0/9649=3...(5) HB3 ASP 86 - QD1 LEU 63 lone 4 99 - 3 - HB3 ASP 60 - QD1 LEU 45 lone 3 32 - 9 - ~9438=3, 9645/2.1=2, ~9641=2 HG2 MET 67 - QD1 LEU 45 lone 2 33 - 7 - 1.8/9719=1, 3.3/9725=1 HE3 LYS 77 - QD1 LEU 63 lone 2 77 - 3 - HB3 ASP 86 - QD2 LEU 6 lone 1 81 - 1 - HE3 LYS 77 - QD2 LEU 6 lone 0 58 - 1 - HB3 ASP 86 - QD1 LEU 45 lone 0 34 - 1 - HE3 LYS 77 - QD1 LEU 45 lone 0 23 - 1 - Peak 9688 from cnoeabs.peaks (7.10, 3.91, 57.78 ppm; 5.56 A): 3 out of 4 assignments used, quality = 0.78: QE PHE 79 + HA LEU 64 OK 48 99 - 49 - 9689/3.0=27, 9691/3.7=11...(7) QE PHE 79 + HA GLU 128 OK 40 86 - 46 - 10879/4.0=16...(5) HZ PHE 93 + HA LEU 64 OK 29 61 - 47 - 9691/3.7=14...(8) HZ PHE 93 - HA GLU 128 lone 3 49 - 5 - 4684/9014=2 Peak 9689 from cnoeabs.peaks (7.11, 1.79, 41.35 ppm; 6.20 A): 0 out of 2 assignments used, low quality = 0.40: QE PHE 79 - HB2 LEU 64 OK 40 90 - 45 - 9688/3.0=16, 9691/3.0=12...(8) QD PHE 51 - HB2 LEU 64 lone 3 73 - 4 - Peak 9690 from cnoeabs.peaks (7.08, 1.63, 41.35 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.89: HZ PHE 93 + HB3 LEU 64 OK 85 100 - 85 - ~9693=22, ~9692=21...(15) QE PHE 79 + HB3 LEU 64 OK 26 70 - 37 - 11668/4.2=13, 9691/3.0=7...(7) Peak 9691 from cnoeabs.peaks (7.10, 1.64, 26.77 ppm; 5.76 A): 2 out of 6 assignments used, quality = 0.82: HZ PHE 93 + HG LEU 64 OK 64 81 - 79 - ~9693=23, ~9692=23...(15) QE PHE 79 + HG LEU 64 OK 50 100 - 50 - 9689/3.0=23, 9688/3.7=13...(8) QE PHE 79 - HG LEU 114 lone 8 87 - 9 - 9911/2.1=2, 4653/3.0=2 HZ PHE 93 - HG LEU 90 lone 6 79 - 7 - 3.8/4740=5 HZ PHE 93 - HG LEU 114 lone 4 64 - 7 - ~4679=1, ~10846=1 QE PHE 79 - HG LEU 90 lone 3 99 - 3 - Peak 9692 from cnoeabs.peaks (7.12, 0.81, 24.93 ppm; 4.28 A): 2 out of 6 assignments used, quality = 0.58: QE PHE 93 + QD1 LEU 64 OK 43 73 - 59 - 4679=15, 9693/2.1=13...(13) QE PHE 120 + QD1 LEU 64 OK 26 70 - 37 - 9693/2.1=9, 4732=8...(10) QD PHE 51 - QD1 LEU 64 lone 2 99 - 2 - QE PHE 93 - QD1 LEU 114 lone 2 40 - 4 - QE PHE 120 - QD1 LEU 114 lone 1 38 - 3 - QD PHE 51 - QD1 LEU 114 lone 1 63 - 1 - Peak 9693 from cnoeabs.peaks (7.13, 0.78, 24.57 ppm; 4.11 A): 2 out of 3 assignments used, quality = 0.76: QE PHE 93 + QD2 LEU 64 OK 59 100 - 59 - 4679/2.1=18, 2.2/4685=11...(13) QE PHE 120 + QD2 LEU 64 OK 42 100 - 42 - 4732/2.1=14, 2.2/4716=6...(11) QD PHE 51 - QD2 LEU 64 lone 1 90 - 1 - Peak 9694 from cnoeabs.peaks (3.73, 0.81, 24.93 ppm; 3.55 A): 2 out of 6 assignments used, quality = 0.48: HA LYS 61 + QD1 LEU 64 OK 42 87 - 48 - 8097/3.1=14, 9652/2.1=12...(8) HA ILE 71 + QD1 LEU 64 OK 11 100 - 11 - 10752/11689=2...(8) HA2 GLY 101 - QD1 LEU 64 lone 5 87 - 6 - 8098/3.1=1, 8100/3.1=1 HA ILE 71 - QD1 LEU 114 lone 4 64 - 6 - HA LYS 61 - QD1 LEU 114 lone 4 50 - 7 - 9652=2, ~11514=1 HA2 GLY 101 - QD1 LEU 114 lone 1 50 - 1 - Peak 9702 from cnoeabs.peaks (0.90, 3.95, 59.96 ppm; 3.61 A): 4 out of 8 assignments used, quality = 0.93: QD1 LEU 70 + HA MET 67 OK 66 97 - 68 - 9769=24, 3.1/8139=12...(12) QD2 LEU 70 + HA MET 67 OK 66 99 - 66 - 2.1/9769=19, 3.1/8139=12...(12) QD2 LEU 38 + HA MET 67 OK 35 92 - 39 - 9386/2.9=8, ~9699=8...(8) HG13 ILE 54 + HA MET 67 OK 10 87 - 12 - 2.1/9703=8, 9700/2.9=1, ~9499=1 QG2 VAL 104 - HA MET 67 lone 6 77 - 8 - ~9707=3, 2.1/8139=2 QD1 LEU 90 - HA MET 67 lone 2 99 - 2 - QD2 LEU 90 - HA MET 67 lone 2 70 - 2 - 9700/2.9=1 QG2 VAL 29 - HA MET 67 lone 1 100 - 1 - Peak 9703 from cnoeabs.peaks (0.63, 3.95, 59.96 ppm; 4.29 A): 0 out of 6 assignments used, low quality = 0.21: QD1 ILE 54 - HA MET 67 OK 12 100 - 12 - ~9707=3, 9499/3.0=3...(4) QD1 LEU 4 - HA MET 67 OK 11 94 - 12 - 10736/5.4=5, ~9709=4 QG1 VAL 22 - HA MET 67 lone 5 99 - 5 - 10855=2 QD1 ILE 5 - HA MET 67 lone 5 94 - 5 - 9499/3.0=1, ~10943=1 HG13 ILE 15 - HA MET 67 lone 3 100 - 3 - ~9708=2 QG1 VAL 78 - HA MET 67 lone 3 65 - 4 - 2.1/8141=1 Peak 9704 from cnoeabs.peaks (0.95, 2.20, 33.44 ppm; 4.48 A): 3 out of 18 assignments used, quality = 0.80: QD1 LEU 38 + HB2 MET 67 OK 56 81 - 70 - 10991/3.0=20...(14) HG13 ILE 56 + HB2 MET 67 OK 46 92 - 50 - 9717/3.0=15, 9711/3.0=13...(8) QD1 LEU 38 + HB3 MET 1 OK 15 42 - 36 - ~10994=7, 10877/3.0=7...(9) HG13 ILE 56 - HB3 MET 1 poor 10 50 - 20 - ~9549=10, 10877/3.0=5 QG1 VAL 104 - HB2 MET 67 poor 7 61 - 11 - 9707/1.8=2, 9717/3.0=2...(5) QD2 LEU 127 - HB2 MET 67 lone 6 70 - 9 - 9717/3.0=2, 3.1/11271=2...(5) HD3 LYS 2 - HB2 MET 67 lone 2 87 - 2 - QG1 VAL 104 - HG3 GLN 28 lone 2 32 - 5 - 10242/3.8=2, 11454/3.0=1 HG3 LYS 53 - HB2 MET 67 lone 1 84 - 1 - QD1 LEU 38 - HG3 GLN 28 lone 1 44 - 2 - HG13 ILE 56 - HG3 GLN 28 lone 1 53 - 2 - HD3 LYS 2 - HB3 MET 1 lone 1 46 - 2 - QD2 LEU 127 - HG3 GLN 28 lone 0 37 - 1 - HD3 LYS 2 - HG3 GLN 28 lone 0 49 - 1 - QD2 LEU 127 - HB3 MET 1 lone 0 35 - 1 - HG3 LYS 53 - HG3 GLN 28 lone 0 46 - 1 - HG3 LYS 53 - HB3 MET 1 lone 0 44 - 1 - QG1 VAL 104 - HB3 MET 1 lone 0 30 - 1 - Peak 9705 from cnoeabs.peaks (0.87, 2.20, 33.44 ppm; 5.20 A): 8 out of 27 assignments used, quality = 0.84: QG1 VAL 32 + HB2 MET 67 OK 39 100 - 39 - ~9708=9, 10929/4.3=8...(8) QG1 VAL 32 + HG3 GLN 28 OK 31 63 - 50 - 9299/1.8=32, 9240/3.8=13...(5) HG13 ILE 57 + HB2 MET 67 OK 17 96 - 18 - 9712/3.0=3, 9563/1.8=3...(8) QD1 LEU 14 + HB2 MET 67 OK 16 96 - 17 - ~9708=4, 9712/3.0=3...(7) QG2 THR 9 + HB2 MET 67 OK 14 99 - 14 - 10757=3, 9115/4.3=2...(7) QG2 VAL 104 + HB2 MET 67 OK 14 70 - 20 - ~9707=9, 9718/3.0=3...(6) QG2 VAL 117 + HB2 MET 67 OK 13 100 - 13 - 9712/3.0=3, 9757/4.6=3...(6) QG2 VAL 107 + HB2 MET 67 OK 13 100 - 13 - ~9708=3, 9718/3.0=2...(5) QG2 VAL 22 - HB2 MET 67 poor 9 84 - 11 - ~9703=4, ~10855=3, 9712/3.0=1 QG2 VAL 107 - HG3 GLN 28 poor 7 63 - 11 - 11460/3.0=4, 9240/3.8=3...(4) QG2 VAL 104 - HG3 GLN 28 poor 5 37 - 15 - 9240/3.8=8, 9235/5.2=3, ~11454=2 QG2 VAL 117 - HG3 GLN 28 lone 4 63 - 6 - 9240/3.8=2, 10520/3.0=2 QG2 VAL 22 - HG3 GLN 28 lone 4 46 - 8 - ~11483=4, ~11481=3 QD2 LEU 90 - HG3 GLN 28 lone 3 42 - 7 - 9240/3.8=3, 9235/5.2=1 QD2 LEU 90 - HB2 MET 67 lone 3 77 - 4 - QG2 THR 9 - HG3 GLN 28 lone 2 62 - 4 - QG1 VAL 32 - HB3 MET 1 lone 2 61 - 3 - QG2 VAL 117 - HB3 MET 1 lone 1 60 - 2 - HG13 ILE 57 - HG3 GLN 28 lone 1 57 - 2 - QD1 LEU 14 - HG3 GLN 28 lone 1 57 - 2 - QG2 THR 9 - HB3 MET 1 lone 1 59 - 2 - QD2 LEU 90 - HB3 MET 1 lone 1 40 - 2 - QD1 LEU 14 - HB3 MET 1 lone 1 54 - 1 - QG2 VAL 107 - HB3 MET 1 lone 1 60 - 1 - HG13 ILE 57 - HB3 MET 1 lone 1 54 - 1 - QG2 VAL 22 - HB3 MET 1 lone 1 44 - 1 - QG2 VAL 104 - HB3 MET 1 lone 1 35 - 2 - Peak 9706 from cnoeabs.peaks (0.72, 2.20, 33.44 ppm; 5.02 A): 5 out of 33 assignments used, quality = 0.95: QD1 LEU 6 + HB2 MET 67 OK 74 99 - 74 - 11564/1.8=23...(14) QD2 LEU 63 + HB2 MET 67 OK 55 90 - 62 - 9713/3.0=11, 9683/3.0=10...(15) QD2 LEU 6 + HB2 MET 67 OK 45 77 - 58 - ~11564=17, ~11563=13...(11) QG1 VAL 117 + HB2 MET 67 OK 12 100 - 12 - 2.1/9705=2, ~9712=2...(5) QD1 ILE 57 + HB2 MET 67 OK 11 84 - 13 - 2.1/9705=3, ~9712=3...(5) QD2 LEU 45 - HB2 MET 67 lone 9 99 - 9 - ~9708=2, 9713/3.0=1...(4) QG2 VAL 78 - HB2 MET 67 lone 8 99 - 8 - ~9703=2, 9701/4.0=1 QD2 LEU 55 - HB2 MET 67 lone 5 73 - 7 - ~9709=2 QD2 LEU 81 - HB2 MET 67 lone 5 81 - 6 - 9756/4.6=4 QG2 ILE 18 - HB2 MET 67 lone 3 100 - 3 - HG13 ILE 18 - HB2 MET 67 lone 3 94 - 3 - QD1 LEU 6 - HG3 GLN 28 lone 2 61 - 4 - 9068/3.5=1 QD2 LEU 45 - HB3 MET 1 lone 2 58 - 3 - 9450/4573=2 QD1 LEU 6 - HB3 MET 1 lone 2 58 - 3 - 11564/1.8=1 QG1 VAL 117 - HG3 GLN 28 lone 2 63 - 3 - ~10520=1 QD2 LEU 55 - HG3 GLN 28 lone 2 39 - 4 - 9527/162=2, 9236/5.2=1 QG1 VAL 117 - HB3 MET 1 lone 2 60 - 3 - 10509/3.0=1 QD2 LEU 63 - HB3 MET 1 lone 1 48 - 3 - QD2 LEU 63 - HG3 GLN 28 lone 1 51 - 3 - QG2 VAL 78 - HB3 MET 1 lone 1 58 - 2 - QD1 ILE 57 - HG3 GLN 28 lone 1 46 - 3 - 9242/162=1 QG2 VAL 78 - HG3 GLN 28 lone 1 61 - 2 - QD2 LEU 6 - HG3 GLN 28 lone 1 42 - 3 - QD2 LEU 45 - HG3 GLN 28 lone 1 61 - 2 - QG2 ILE 18 - HG3 GLN 28 lone 1 63 - 1 - HG13 ILE 18 - HG3 GLN 28 lone 1 55 - 2 - QD2 LEU 6 - HB3 MET 1 lone 1 40 - 2 - QD2 LEU 81 - HG3 GLN 28 lone 1 44 - 2 - QG2 ILE 18 - HB3 MET 1 lone 1 60 - 1 - HG13 ILE 18 - HB3 MET 1 lone 1 52 - 1 - QD1 ILE 57 - HB3 MET 1 lone 1 44 - 1 - QD2 LEU 81 - HB3 MET 1 lone 1 42 - 1 - QD2 LEU 55 - HB3 MET 1 lone 0 37 - 1 - Peak 9707 from cnoeabs.peaks (0.93, 2.05, 33.44 ppm; 5.08 A): 0 out of 5 assignments used, low quality = 0.35: QG1 VAL 104 - HB3 MET 67 OK 15 100 - 15 - 11454=3, ~9718=2...(6) HG13 ILE 97 - HB3 MET 67 OK 15 100 - 15 - 3.2/9709=7, 4.0/10111=3...(4) HG13 ILE 54 - HB3 MET 67 OK 11 73 - 15 - ~9703=8, 2.1/9499=3, ~9719=2 QD2 LEU 127 - HB3 MET 67 lone 9 99 - 10 - ~11271=2, ~11214=2...(6) HG3 LYS 53 - HB3 MET 67 lone 2 96 - 2 - Peak 9708 from cnoeabs.peaks (0.77, 2.05, 33.44 ppm; 4.77 A): 0 out of 10 assignments used, low quality = 0.34: QG2 VAL 32 - HB3 MET 67 OK 24 98 - 25 - 10928/4.3=6, ~9712=5...(6) QD2 LEU 64 - HB3 MET 67 OK 13 81 - 17 - 3.8/8121=13, 4.7/744=2 QD2 LEU 14 - HB3 MET 67 lone 9 98 - 9 - ~9712=3, ~9705=2, ~9718=2 QD1 ILE 15 - HB3 MET 67 lone 8 99 - 8 - ~9703=2, 3.0/10943=1...(4) QG1 VAL 107 - HB3 MET 67 lone 7 98 - 7 - ~9712=2, ~9705=2, ~9718=1 QD1 ILE 7 - HB3 MET 67 lone 6 100 - 6 - 9076=2 QD2 LEU 80 - HB3 MET 67 lone 6 97 - 6 - 11094/4.3=2 QD1 LEU 45 - HB3 MET 67 lone 5 77 - 6 - 2.1/4933=1 QD1 LEU 80 - HB3 MET 67 lone 4 98 - 4 - 9940/9066=1 QD1 LEU 82 - HB3 MET 67 lone 4 94 - 4 - 11392=1, ~11271=1 Peak 9709 from cnoeabs.peaks (0.68, 2.05, 33.44 ppm; 4.85 A): 3 out of 6 assignments used, quality = 0.63: QG2 ILE 56 + HB3 MET 67 OK 40 87 - 46 - 10946/4.3=11, ~9717=8...(8) QD2 LEU 4 + HB3 MET 67 OK 23 99 - 23 - 10737/4.3=8, ~9703=7...(5) QG2 ILE 97 + HB3 MET 67 OK 20 100 - 20 - 3.2/9707=8, 3.2/10111=3...(5) QD1 LEU 55 - HB3 MET 67 lone 7 100 - 7 - 10737/4.3=1 QD1 ILE 116 - HB3 MET 67 lone 5 100 - 5 - QD2 LEU 114 - HB3 MET 67 lone 4 87 - 5 - Peak 9710 from cnoeabs.peaks (1.53, 2.57, 32.07 ppm; 5.91 A): 2 out of 8 assignments used, quality = 0.95: HG LEU 38 + HG2 MET 67 OK 84 96 - 88 - 2.1/10991=36...(12) HG LEU 6 + HG2 MET 67 OK 71 94 - 76 - ~11563=21, ~11564=18...(13) HB3 ARG 30 - HG2 MET 67 OK 11 77 - 14 - ~9722=4, 9257/9714=2...(5) HD2 LYS 94 - HG2 MET 67 lone 6 96 - 6 - 9551/9711=3 HD3 LYS 94 - HG2 MET 67 lone 6 96 - 6 - 9551/9711=3 HD3 LYS 17 - HG2 MET 67 lone 5 87 - 6 - 9550/9714=1 HB2 LYS 61 - HG2 MET 67 lone 2 87 - 3 - HG2 LYS 43 - HG2 MET 67 lone 1 73 - 2 - Peak 9711 from cnoeabs.peaks (0.96, 2.57, 32.07 ppm; 3.83 A): 2 out of 5 assignments used, quality = 0.86: QD1 LEU 38 + HG2 MET 67 OK 71 98 - 72 - 10991=35, 10990/1.8=13...(15) HG13 ILE 56 + HG2 MET 67 OK 53 100 - 54 - 2.1/9714=11, 9717/1.8=10...(12) QD1 ILE 3 - HG2 MET 67 lone 5 84 - 6 - 9012/1.8=2, 9699/5.1=2 HG13 ILE 116 - HG2 MET 67 lone 4 81 - 4 - HD3 LYS 2 - HG2 MET 67 lone 2 99 - 2 - Peak 9712 from cnoeabs.peaks (0.86, 2.57, 32.07 ppm; 4.46 A): 5 out of 11 assignments used, quality = 0.55: QG1 VAL 32 + HG2 MET 67 OK 27 90 - 31 - 9724/3.3=10, ~9708=5...(8) QD1 LEU 14 + HG2 MET 67 OK 13 100 - 13 - 9724/3.3=4, ~9708=2...(7) HG13 ILE 57 + HG2 MET 67 OK 12 100 - 12 - 9724/3.3=3, 9563/3.0=2...(6) HG13 ILE 5 + HG2 MET 67 OK 10 92 - 11 - 9724/3.3=4, ~9722=2...(5) QG2 VAL 117 + HG2 MET 67 OK 10 94 - 11 - 9724/3.3=3, 2.1/9713=2...(5) QG2 ILE 5 - HG2 MET 67 poor 9 77 - 12 - 9724/3.3=4, ~9722=3...(4) QG2 VAL 107 - HG2 MET 67 lone 9 87 - 10 - 9724/3.3=2, ~9708=2...(4) QG2 ILE 57 - HG2 MET 67 poor 8 73 - 11 - 9724/3.3=3, 3.0/9713=2...(6) QG2 THR 9 - HG2 MET 67 lone 8 97 - 8 - 9724/3.3=2, 10757/3.0=2 QG2 ILE 15 - HG2 MET 67 lone 7 94 - 7 - 9724/3.3=2, ~9708=1, ~9715=1 QG2 VAL 22 - HG2 MET 67 lone 4 100 - 4 - 9724/3.3=1 Peak 9713 from cnoeabs.peaks (0.72, 2.57, 32.07 ppm; 4.53 A): 5 out of 11 assignments used, quality = 0.94: QD1 LEU 6 + HG2 MET 67 OK 66 99 - 67 - 11563/1.8=17...(14) QD2 LEU 63 + HG2 MET 67 OK 61 90 - 69 - 2.1/9679=11, 2.1/9686=11...(15) QD2 LEU 6 + HG2 MET 67 OK 40 77 - 52 - ~11563=13, ~11564=11...(11) QD1 ILE 57 + HG2 MET 67 OK 12 84 - 15 - 2.1/9712=4, 3.0/9712=2...(7) QG1 VAL 117 + HG2 MET 67 OK 12 100 - 12 - 2.1/9712=3, ~9724=2...(6) QD2 LEU 45 - HG2 MET 67 lone 8 99 - 8 - ~9719=1, ~9708=1, 9706/3.0=1 QD2 LEU 55 - HG2 MET 67 lone 5 73 - 7 - ~9709=1 QG2 VAL 78 - HG2 MET 67 lone 4 99 - 4 - HG13 ILE 18 - HG2 MET 67 lone 3 94 - 3 - QG2 ILE 18 - HG2 MET 67 lone 2 100 - 2 - QD2 LEU 81 - HG2 MET 67 lone 2 81 - 2 - Peak 9714 from cnoeabs.peaks (0.67, 2.57, 32.07 ppm; 4.40 A): 3 out of 7 assignments used, quality = 0.91: QD1 ILE 56 + HG2 MET 67 OK 67 99 - 68 - 2.1/9711=17, 9726/3.3=17...(12) QD1 ILE 71 + HG2 MET 67 OK 66 87 - 76 - 9781/1.8=26...(10) QD2 LEU 4 + HG2 MET 67 OK 20 87 - 23 - 9726/3.3=7, ~10736=6...(7) QG2 ILE 97 - HG2 MET 67 poor 8 73 - 11 - ~9707=4, 9709/3.0=3...(4) QD2 LEU 114 - HG2 MET 67 lone 6 99 - 6 - 9726/3.3=1, 9720/1.8=1, ~9722=1 QD1 ILE 116 - HG2 MET 67 lone 5 81 - 6 - 2.1/9711=1, 9726/3.3=1 QD1 LEU 55 - HG2 MET 67 lone 4 65 - 6 - 9726/3.3=1, ~9725=1 Peak 9715 from cnoeabs.peaks (1.71, 2.40, 32.07 ppm; 6.20 A): 2 out of 12 assignments used, quality = 0.76: HG12 ILE 71 + HG3 MET 67 OK 72 77 - 93 - ~9782=37, 2.1/9781=37...(12) HG3 LYS 123 + HG3 MET 67 OK 16 92 - 17 - 5.0/4941=5, 7107/5.1=4...(5) HG12 ILE 15 - HG3 MET 67 poor 9 65 - 13 - ~9708=3, ~9712=2...(5) HB3 LEU 90 - HG3 MET 67 lone 3 81 - 4 - 3.1/9718=1 HG LEU 74 - HG3 MET 67 lone 3 99 - 3 - ~11277=1 HD3 LYS 44 - HG3 MET 67 lone 3 98 - 3 - HG3 LYS 39 - HG3 MET 67 lone 3 92 - 3 - HD2 LYS 44 - HG3 MET 67 lone 3 96 - 3 - HB3 LYS 106 - HG3 MET 67 lone 2 98 - 3 - HB2 LYS 106 - HG3 MET 67 lone 2 96 - 3 - HD2 LYS 39 - HG3 MET 67 lone 2 100 - 2 - HD3 LYS 39 - HG3 MET 67 lone 2 99 - 2 - Peak 9716 from cnoeabs.peaks (1.51, 2.40, 32.07 ppm; 5.67 A): 3 out of 11 assignments used, quality = 0.96: HG LEU 38 + HG3 MET 67 OK 71 84 - 85 - ~10991=31, ~9711=23...(12) HB2 LEU 6 + HG3 MET 67 OK 68 100 - 68 - 3.1/11563=22, ~11564=13...(12) HG LEU 6 + HG3 MET 67 OK 61 87 - 71 - 2.1/11563=25, ~11564=16...(11) HB3 LEU 14 - HG3 MET 67 OK 17 92 - 18 - ~9712=4, 3.1/9718=3...(7) HB3 ARG 30 - HG3 MET 67 OK 15 98 - 15 - 9256/9717=4, ~9722=4 QB ALA 124 - HG3 MET 67 OK 13 99 - 13 - 8305/3.7=5, 11272/3.0=1...(5) HG2 ARG 30 - HG3 MET 67 OK 12 90 - 13 - 10927/9720=3, ~9722=3...(4) HD3 LYS 17 - HG3 MET 67 lone 5 94 - 6 - 10920/9720=1 HB2 LYS 61 - HG3 MET 67 lone 3 94 - 3 - HG2 LYS 20 - HG3 MET 67 lone 2 100 - 2 - HG2 LYS 43 - HG3 MET 67 lone 2 99 - 2 - Peak 9717 from cnoeabs.peaks (0.94, 2.40, 32.07 ppm; 4.25 A): 2 out of 7 assignments used, quality = 0.66: HG13 ILE 56 + HG3 MET 67 OK 46 77 - 60 - 2.1/9720=13, 9711/1.8=12...(12) QD1 LEU 38 + HG3 MET 67 OK 37 61 - 61 - 10991/1.8=16...(12) QG1 VAL 104 - HG3 MET 67 lone 7 81 - 9 - 9707/3.0=4, 2.1/9718=2...(4) QD2 LEU 127 - HG3 MET 67 lone 5 87 - 6 - 9707/3.0=2, ~11214=1, 9704/3.0=1 HG13 ILE 97 - HG3 MET 67 lone 5 65 - 8 - 9707/3.0=3, ~9709=3 HD3 LYS 2 - HG3 MET 67 lone 2 70 - 2 - HG3 LYS 53 - HG3 MET 67 lone 1 96 - 1 - Peak 9718 from cnoeabs.peaks (0.87, 2.40, 32.07 ppm; 4.83 A): 7 out of 10 assignments used, quality = 0.85: QD2 LEU 38 + HG3 MET 67 OK 56 70 - 81 - ~10991=26, ~9711=19...(15) QG1 VAL 32 + HG3 MET 67 OK 35 99 - 36 - 10929/3.3=8, ~9708=6...(8) QG2 VAL 104 + HG3 MET 67 OK 13 87 - 15 - ~9707=6, 2.1/9717=3...(5) QD1 LEU 14 + HG3 MET 67 OK 12 84 - 14 - 9712/1.8=3, ~9708=2...(7) HG13 ILE 57 + HG3 MET 67 OK 12 84 - 14 - 9705/3.0=2, 9712/1.8=2...(7) QG2 VAL 107 + HG3 MET 67 OK 11 99 - 11 - 9705/3.0=2, ~9708=2...(5) QG2 VAL 117 + HG3 MET 67 OK 10 97 - 11 - 9712/1.8=2, 9705/3.0=2...(4) QG2 THR 9 - HG3 MET 67 lone 9 94 - 9 - 10757/3.0=2, 9115/3.3=2...(4) QD2 LEU 90 - HG3 MET 67 lone 4 92 - 4 - QG2 VAL 22 - HG3 MET 67 lone 3 65 - 4 - 9705/3.0=1 Peak 9719 from cnoeabs.peaks (0.75, 2.40, 32.07 ppm; 4.67 A): 5 out of 11 assignments used, quality = 0.93: QD1 LEU 63 + HG3 MET 67 OK 71 98 - 72 - 9725/3.3=17, 9686/1.8=12...(19) QD2 LEU 6 + HG3 MET 67 OK 58 87 - 67 - 2.1/11563=18, ~11564=12...(13) QG2 VAL 32 + HG3 MET 67 OK 25 73 - 35 - 2.1/9718=8, ~9712=7...(8) QG2 ILE 54 + HG3 MET 67 OK 17 100 - 17 - 9725/3.3=4, 11708/9717=3...(6) QD2 LEU 14 + HG3 MET 67 OK 11 73 - 15 - ~9712=3, ~9724=3...(6) QD1 LEU 45 - HG3 MET 67 lone 10 97 - 10 - 9431/9427=3, 9725/3.3=2, ~9713=1 QD2 LEU 55 - HG3 MET 67 lone 8 90 - 9 - 9725/3.3=2, ~9709=1 QG1 VAL 107 - HG3 MET 67 poor 8 73 - 11 - 2.1/9718=2, ~9712=2...(5) QG2 ILE 7 - HG3 MET 67 lone 7 100 - 7 - 9725/3.3=1, ~9708=1 QD1 ILE 15 - HG3 MET 67 lone 5 70 - 8 - 2.1/9715=2, ~9712=1, ~9724=1 HG13 ILE 18 - HG3 MET 67 lone 2 65 - 3 - Peak 9720 from cnoeabs.peaks (0.66, 2.40, 32.07 ppm; 4.19 A): 4 out of 5 assignments used, quality = 0.94: QD1 ILE 71 + HG3 MET 67 OK 79 98 - 80 - 9781=34, 9782/1.8=23...(12) QD1 ILE 56 + HG3 MET 67 OK 64 100 - 65 - 2.1/9717=16, 9726/3.3=15...(13) QD1 LEU 4 + HG3 MET 67 OK 15 65 - 22 - 10736/3.3=5, ~10737=4...(7) QD2 LEU 4 + HG3 MET 67 OK 13 65 - 21 - 9726/3.3=7, ~10736=5...(7) QD2 LEU 114 - HG3 MET 67 lone 5 92 - 5 - 9726/3.3=1, 9714/1.8=1 Peak 9721 from cnoeabs.peaks (1.44, 1.88, 16.76 ppm; 3.48 A): 5 out of 12 assignments used, quality = 0.78: HG12 ILE 56 + QE MET 67 OK 45 92 - 49 - 2.1/9726=16, 1.8/9723=16...(8) HB3 LEU 63 + QE MET 67 OK 36 90 - 40 - 3.1/9725=12, 4.6/9736=5...(14) HB2 LEU 4 + QE MET 67 OK 14 100 - 14 - 3.1/10736=7, 3.1/10737=6 HB3 LEU 4 + QE MET 67 OK 14 100 - 14 - 3.1/10736=7, 3.1/10737=6 HG LEU 4 + QE MET 67 OK 14 81 - 17 - 2.1/10736=8, 2.1/9726=7, ~9714=1 HG3 ARG 30 - QE MET 67 lone 4 77 - 5 - 2.8/9722=3 HG3 LYS 17 - QE MET 67 lone 3 96 - 3 - HB3 LYS 61 - QE MET 67 lone 2 99 - 2 - HG LEU 80 - QE MET 67 lone 2 99 - 2 - 2.1/11094=1 HB3 GLN 83 - QE MET 67 lone 2 70 - 2 - HG2 LYS 96 - QE MET 67 lone 1 100 - 1 - HG3 LYS 44 - QE MET 67 lone 1 100 - 1 - Peak 9722 from cnoeabs.peaks (1.65, 1.88, 16.76 ppm; 4.19 A): 0 out of 13 assignments used, low quality = 0.30: HG LEU 64 - QE MET 67 OK 20 97 - 20 - 3.7/9729=12, 5.2/9736=7 HB ILE 5 - QE MET 67 OK 13 100 - 13 - 2.1/9724=5, 2.9/9724=4...(4) HB2 ARG 30 - QE MET 67 lone 9 99 - 10 - 9259/9726=3...(3) HD3 LYS 65 - QE MET 67 lone 9 100 - 9 - 4.8/9728=3, 11468/3.3=2...(4) HD2 LYS 65 - QE MET 67 lone 9 99 - 9 - 4.8/9728=3, 11468/3.3=2...(4) HG LEU 114 - QE MET 67 lone 5 100 - 4 - 2.1/9726=1 HD2 LYS 115 - QE MET 67 lone 4 97 - 4 - 4.9/8264=1 HD3 LYS 115 - QE MET 67 lone 4 92 - 4 - 4.9/8264=1 HB ILE 116 - QE MET 67 lone 3 61 - 5 - 2.9/9723=1, 3.2/9726=1 HG LEU 90 - QE MET 67 lone 2 92 - 2 - HD3 LYS 49 - QE MET 67 lone 1 99 - 1 - HD2 LYS 49 - QE MET 67 lone 1 99 - 1 - HB2 GLU 52 - QE MET 67 lone 1 97 - 1 - Peak 9723 from cnoeabs.peaks (0.97, 1.88, 16.76 ppm; 3.21 A): 2 out of 5 assignments used, quality = 0.65: QD1 LEU 38 + QE MET 67 OK 46 96 - 48 - 10995=13, 10991/3.3=13...(11) HG13 ILE 56 + QE MET 67 OK 37 87 - 42 - 2.1/9726=15, 1.8/9721=10...(8) QD1 ILE 3 - QE MET 67 lone 4 100 - 4 - 9012/3.3=1 HG13 ILE 116 - QE MET 67 lone 3 100 - 3 - 2.1/9726=1 HD3 LYS 2 - QE MET 67 lone 1 92 - 1 - Peak 9724 from cnoeabs.peaks (0.85, 1.88, 16.76 ppm; 3.09 A): 0 out of 11 assignments used, low quality = 0.14: QG1 VAL 32 - QE MET 67 OK 14 73 - 20 - 10929=5, 2.1/9725=5...(5) QD1 LEU 14 - QE MET 67 lone 6 96 - 6 - 2.1/9725=2, 9712/3.3=1 QG2 ILE 5 - QE MET 67 lone 6 92 - 6 - 2.1/9722=3, 9712/3.3=1 HG13 ILE 5 - QE MET 67 lone 5 99 - 5 - 2.9/9722=3, 9712/3.3=1 HG13 ILE 57 - QE MET 67 lone 5 96 - 5 - 9712/3.3=1 QG2 ILE 57 - QE MET 67 lone 4 90 - 4 - 9607/9734=2 QG2 VAL 117 - QE MET 67 lone 4 81 - 5 - 2.1/4951=1, 9712/3.3=1 QG2 THR 9 - QE MET 67 lone 3 87 - 4 - QG2 VAL 107 - QE MET 67 lone 3 70 - 4 - 2.1/9725=1 QG2 ILE 15 - QE MET 67 lone 3 99 - 3 - QG2 VAL 22 - QE MET 67 lone 2 100 - 2 - Peak 9725 from cnoeabs.peaks (0.75, 1.88, 16.76 ppm; 2.70 A): 0 out of 11 assignments used, low quality = 0.38: QD1 LEU 63 - QE MET 67 OK 28 98 - 28 - 3.1/9721=4, 9686/3.3=3...(14) QD2 LEU 6 - QE MET 67 OK 15 87 - 17 - ~11563=3, 9719/3.3=2...(7) QG2 VAL 32 - QE MET 67 poor 10 73 - 13 - 2.1/9724=6, 10928=2...(4) QG2 ILE 54 - QE MET 67 lone 6 100 - 6 - 11708/9723=2, 11707/9726=1 QD2 LEU 14 - QE MET 67 lone 4 73 - 5 - 2.1/9724=3 QD2 LEU 55 - QE MET 67 lone 3 90 - 4 - QD1 LEU 45 - QE MET 67 lone 3 97 - 3 - QG1 VAL 107 - QE MET 67 lone 3 73 - 3 - 2.1/9724=1 QG2 ILE 7 - QE MET 67 lone 2 100 - 2 - QD1 ILE 15 - QE MET 67 lone 1 70 - 2 - 3.0/9724=1 HG13 ILE 18 - QE MET 67 lone 1 65 - 1 - Peak 9726 from cnoeabs.peaks (0.67, 1.88, 16.76 ppm; 2.82 A): 3 out of 7 assignments used, quality = 0.60: QD1 ILE 56 + QE MET 67 OK 35 99 - 36 - 2.1/9723=10, 2.1/9721=7...(9) QD1 ILE 71 + QE MET 67 OK 28 87 - 32 - 9781/3.3=7, 9782/3.3=6...(9) QD2 LEU 4 + QE MET 67 OK 15 87 - 17 - 2.1/10736=5, 10737=4...(6) QD2 LEU 114 - QE MET 67 lone 3 99 - 3 - QD1 LEU 55 - QE MET 67 lone 2 65 - 4 - 2.1/9725=1 QD1 ILE 116 - QE MET 67 lone 2 81 - 3 - QG2 ILE 97 - QE MET 67 lone 2 73 - 3 - Peak 9727 from cnoeabs.peaks (3.42, 1.88, 16.76 ppm; 3.93 A): 1 out of 1 assignment used, quality = 0.63: HB3 SER 58 + QE MET 67 OK 63 99 - 64 - 2.8/9735=27, 3.0/9734=21...(7) Peak 9728 from cnoeabs.peaks (3.79, 1.88, 16.76 ppm; 3.82 A): 3 out of 5 assignments used, quality = 0.85: HB2 SER 58 + QE MET 67 OK 66 96 - 69 - 1.8/9727=36, 2.8/9735=25...(7) HA LEU 68 + QE MET 67 OK 46 94 - 49 - 3.0/7641=20, 3.6/9736=8...(10) HA LYS 65 + QE MET 67 OK 20 98 - 20 - 8124/7641=7, 8123/6.2=4...(6) HA LYS 115 - QE MET 67 lone 5 87 - 6 - 8264=2 HA ALA 113 - QE MET 67 lone 3 87 - 3 - Peak 9729 from cnoeabs.peaks (3.91, 1.88, 16.76 ppm; 3.31 A): 3 out of 5 assignments used, quality = 0.56: HA LEU 38 + QE MET 67 OK 30 100 - 30 - 3.8/9723=10, 2.9/11232=5...(7) HA LEU 64 + QE MET 67 OK 30 100 - 30 - 2.9/9736=6, 8121/4.3=5...(8) HA GLU 128 + QE MET 67 OK 10 100 - 10 - 8121/4.3=3, 8118/4.3=2...(5) HB2 SER 35 - QE MET 67 poor 10 90 - 11 - 1.8/4949=3, 4.4/4948=2...(4) HA ARG 118 - QE MET 67 lone 3 77 - 3 - Peak 9730 from cnoeabs.peaks (3.78, 2.40, 32.07 ppm; 6.20 A): 2 out of 3 assignments used, quality = 0.97: HA LEU 68 + HG3 MET 67 OK 85 100 - 85 - 3.0/7640=37, ~7641=28...(12) HB2 SER 58 + HG3 MET 67 OK 84 100 - 84 - ~9727=40, ~9735=31...(13) HA LYS 65 - HG3 MET 67 OK 29 70 - 42 - 3.6/1436=12, 2095/5.1=11...(9) Peak 9734 from cnoeabs.peaks (5.02, 1.88, 16.76 ppm; 4.91 A): 1 out of 1 assignment used, quality = 0.67: HA SER 58 + QE MET 67 OK 67 94 - 71 - 3.0/9727=41, 4.0/9735=32...(6) Peak 9735 from cnoeabs.peaks (5.10, 1.88, 16.76 ppm; 4.34 A): 1 out of 1 assignment used, quality = 0.62: HG SER 58 + QE MET 67 OK 62 96 - 65 - 2.8/9727=36, 4.0/9734=22...(8) Peak 9736 from cnoeabs.peaks (7.64, 1.88, 16.76 ppm; 4.49 A): 2 out of 7 assignments used, quality = 0.67: H LEU 64 + QE MET 67 OK 43 84 - 51 - 2.9/9729=15, 4.8/9725=11...(11) H GLU 69 + QE MET 67 OK 43 87 - 49 - 4.6/7641=21, 3.6/9728=11...(8) H GLN 100 - QE MET 67 poor 10 73 - 13 - 11179/5.4=5, 4.0/4950=2...(5) H ALA 46 - QE MET 67 lone 10 100 - 9 - 2105/5.4=2, 421/7641=1...(4) HE21 GLN 85 - QE MET 67 lone 3 77 - 4 - HD21 ASN 50 - QE MET 67 lone 2 98 - 2 - HD21 ASN 10 - QE MET 67 lone 1 100 - 1 - Peak 9741 from cnoeabs.peaks (6.71, 3.78, 57.94 ppm; 6.20 A): 3 out of 3 assignments used, quality = 0.94: QE TYR 102 + HA LEU 68 OK 76 99 - 77 - 4633/4.0=36, 4632/4.0=35...(9) QD PHE 79 + HA LEU 68 OK 53 94 - 57 - ~4656=12, 9745/4.0=10...(12) QE TYR 76 + HA LEU 68 OK 42 99 - 43 - 4633/4.0=10, 10198/4.0=9...(10) Peak 9743 from cnoeabs.peaks (7.18, 0.51, 25.27 ppm; 5.67 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9744 from cnoeabs.peaks (6.97, 0.51, 25.27 ppm; 5.89 A): 1 out of 1 assignment used, quality = 0.62: QD TYR 102 + QD1 LEU 68 OK 62 65 - 95 - 2.2/4632=37, 9749/2.1=36...(16) Peak 9745 from cnoeabs.peaks (6.72, 0.51, 25.27 ppm; 5.16 A): 2 out of 3 assignments used, quality = 0.97: QE TYR 102 + QD1 LEU 68 OK 95 100 - 95 - 2.2/4695=47, 4633/2.1=39...(11) QD PHE 79 + QD1 LEU 68 OK 47 100 - 47 - ~4656=8, 9750/2.1=8...(10) QE TYR 76 - QD1 LEU 68 OK 34 100 - 34 - 4633/2.1=11, 10198=11...(6) Peak 9747 from cnoeabs.peaks (8.04, 0.38, 23.07 ppm; 6.20 A): 2 out of 9 assignments used, quality = 0.95: H LYS 65 + QD2 LEU 68 OK 90 100 - 90 - 4.7/11269=34...(15) H SER 72 + QD2 LEU 68 OK 56 84 - 67 - 4.1/9775=41...(4) H ARG 118 - QD2 LEU 68 OK 15 92 - 16 - 2.9/9754=3, 4.1/11074=2...(4) H THR 9 - QD2 LEU 68 lone 7 96 - 8 - 396/11269=2, 397/11270=1 H VAL 22 - QD2 LEU 68 lone 4 100 - 4 - 4.0/9768=2 H LEU 90 - QD2 LEU 68 lone 4 90 - 5 - H ASP 109 - QD2 LEU 68 lone 3 100 - 3 - H GLY 26 - QD2 LEU 68 lone 2 73 - 2 - H GLN 122 - QD2 LEU 68 lone 1 65 - 2 - Peak 9748 from cnoeabs.peaks (7.14, 0.38, 23.07 ppm; 6.20 A): 2 out of 3 assignments used, quality = 0.84: QE PHE 93 + QD2 LEU 68 OK 75 99 - 76 - ~4721=40, 2.2/4741=27...(11) QE PHE 120 + QD2 LEU 68 OK 37 100 - 37 - 11603/11608=11...(9) QD PHE 51 - QD2 LEU 68 lone 4 73 - 5 - Peak 9749 from cnoeabs.peaks (6.97, 0.38, 23.07 ppm; 5.12 A): 2 out of 2 assignments used, quality = 0.85: QD TYR 102 + QD2 LEU 68 OK 82 87 - 94 - 4696=40, 4695/2.1=39...(16) HZ PHE 79 + QD2 LEU 68 OK 20 65 - 31 - ~4656=8, 3.8/9750=8...(6) Peak 9750 from cnoeabs.peaks (6.71, 0.38, 23.07 ppm; 4.34 A): 3 out of 3 assignments used, quality = 0.91: QE TYR 102 + QD2 LEU 68 OK 81 92 - 89 - 2.2/4696=42, 4633=33...(12) QD PHE 79 + QD2 LEU 68 OK 32 81 - 40 - ~4656=6, 9745/2.1=6...(11) QE TYR 76 + QD2 LEU 68 OK 31 94 - 33 - 4633=9, 9799/9775=8...(6) Peak 9751 from cnoeabs.peaks (6.72, 1.38, 40.88 ppm; 6.20 A): 2 out of 3 assignments used, quality = 0.97: QE TYR 102 + HB3 LEU 68 OK 95 98 - 96 - ~4696=40, 4633/3.1=38...(10) QD PHE 79 + HB3 LEU 68 OK 53 100 - 53 - 2.2/4656=14, 9745/3.1=11...(8) QE TYR 76 - HB3 LEU 68 OK 35 97 - 36 - 4633/3.1=10...(5) Peak 9752 from cnoeabs.peaks (6.71, 1.75, 40.88 ppm; 6.20 A): 2 out of 6 assignments used, quality = 0.98: QE TYR 102 + HB2 LEU 68 OK 95 99 - 96 - ~4696=40, 4633/3.1=38...(10) QD PHE 79 + HB2 LEU 68 OK 54 94 - 58 - ~4656=14, 9741/2.9=11...(9) QE TYR 76 - HB2 LEU 68 OK 34 99 - 34 - 4633/3.1=10...(4) QE TYR 76 - HB2 LEU 114 poor 8 70 - 11 - 10191/1.8=2, ~10842=2...(5) QD PHE 79 - HB2 LEU 114 lone 6 62 - 10 - ~9691=2, 2.2/4653=2...(4) QE TYR 102 - HB2 LEU 114 lone 4 69 - 6 - 10191/1.8=1 Peak 9753 from cnoeabs.peaks (3.93, 0.51, 25.27 ppm; 6.20 A): 2 out of 6 assignments used, quality = 0.88: HA ILE 97 + QD1 LEU 68 OK 78 96 - 82 - 3.2/11496=49...(6) HA MET 67 + QD1 LEU 68 OK 46 65 - 71 - 3.6/1450=48, ~9698=13...(6) HB2 SER 35 - QD1 LEU 68 lone 5 90 - 6 - 2103/4.8=1, 10797/9766=1 HA LEU 38 - QD1 LEU 68 lone 4 61 - 7 - 2103/4.8=3, 9680/9766=1 HB3 SER 35 - QD1 LEU 68 lone 4 61 - 7 - 2105/4.9=3, ~9754=2 HA MET 121 - QD1 LEU 68 lone 3 100 - 3 - Peak 9754 from cnoeabs.peaks (3.91, 0.38, 23.07 ppm; 6.20 A): 1 out of 5 assignments used, quality = 0.98: HA LEU 64 + QD2 LEU 68 OK 98 100 - 98 - 3.8/11269=37...(22) HA GLU 128 - QD2 LEU 68 OK 22 100 - 22 - 8122/4.8=9, 11053/2.1=7...(4) HA LEU 38 - QD2 LEU 68 OK 15 100 - 15 - 2103/4.8=7...(3) HA ARG 118 - QD2 LEU 68 OK 12 77 - 15 - 2.9/9747=3, ~11071=3...(4) HB2 SER 35 - QD2 LEU 68 OK 10 90 - 11 - 10797/11565=3...(3) Peak 9758 from cnoeabs.peaks (1.02, 3.78, 57.94 ppm; 4.61 A): 2 out of 5 assignments used, quality = 0.76: HG13 ILE 71 + HA LEU 68 OK 70 99 - 70 - 9785=27, 2.1/9784=25...(7) HG12 ILE 97 + HA LEU 68 OK 21 77 - 27 - 2.1/10124=14, 3.2/9760=9 QD1 LEU 127 - HA LEU 68 lone 7 98 - 7 - 11471/2.9=2...(4) HG2 LYS 61 - HA LEU 68 lone 1 90 - 1 - HG3 LYS 2 - HA LEU 68 lone 1 70 - 1 - Peak 9759 from cnoeabs.peaks (0.79, 3.78, 57.94 ppm; 4.25 A): 5 out of 7 assignments used, quality = 0.83: QD1 LEU 81 + HA LEU 68 OK 41 100 - 41 - 11608/4.0=24, 11606=10...(5) QD2 LEU 64 + HA LEU 68 OK 39 97 - 40 - 11270/4.0=17...(8) QD2 LEU 80 + HA LEU 68 OK 32 81 - 40 - 9922/4.0=20...(5) QD1 LEU 80 + HA LEU 68 OK 22 77 - 29 - 9925/4.0=18, 10967/4.0=6...(4) QD1 LEU 82 + HA LEU 68 OK 12 87 - 13 - 11397/4.0=5...(4) QD1 LEU 114 - HA LEU 68 lone 6 77 - 8 - 2.1/9760=3, ~4962=1 QG1 VAL 29 - HA LEU 68 lone 1 92 - 1 - Peak 9760 from cnoeabs.peaks (0.67, 3.78, 57.94 ppm; 3.87 A): 2 out of 7 assignments used, quality = 0.66: QD1 ILE 71 + HA LEU 68 OK 54 87 - 63 - 9784=23, 2.1/9758=18...(12) QG2 ILE 97 + HA LEU 68 OK 25 73 - 34 - 11496/4.0=15...(5) QD1 ILE 56 - HA LEU 68 lone 8 99 - 8 - 2.9/11250=3, 9726/9728=2 QD2 LEU 114 - HA LEU 68 lone 7 99 - 7 - 2.1/9759=1, 7886/3.6=1 QD2 LEU 4 - HA LEU 68 lone 5 87 - 6 - 11555=3 QD1 ILE 116 - HA LEU 68 lone 2 81 - 2 - QD1 LEU 55 - HA LEU 68 lone 1 65 - 1 - Peak 9761 from cnoeabs.peaks (2.04, 3.78, 57.94 ppm; 5.64 A): 4 out of 17 assignments used, quality = 0.90: HB3 MET 67 + HA LEU 68 OK 73 99 - 74 - 417/3.0=22, ~7640=20...(10) HB2 GLU 66 + HA LEU 68 OK 50 99 - 50 - ~2100=15, 417/3.0=14...(9) HB VAL 117 + HA LEU 68 OK 14 100 - 14 - ~9757=3, 4.4/8148=2...(6) HB3 GLN 100 + HA LEU 68 OK 13 100 - 13 - 417/3.0=3, ~416=3...(4) HB2 GLU 47 - HA LEU 68 lone 7 90 - 8 - 4.0/8144=4, 4044/2110=1 HB2 GLU 92 - HA LEU 68 lone 6 96 - 6 - ~2100=2 HB3 GLN 85 - HA LEU 68 lone 6 99 - 6 - 417/3.0=1, ~419=1 HB3 GLU 89 - HA LEU 68 lone 4 99 - 4 - HB2 GLU 89 - HA LEU 68 lone 4 99 - 4 - HB3 GLU 48 - HA LEU 68 lone 4 99 - 4 - 4.7/8145=1 HB2 GLU 48 - HA LEU 68 lone 4 99 - 4 - 4.7/8145=1 HB3 GLU 98 - HA LEU 68 lone 3 96 - 4 - HB3 GLU 87 - HA LEU 68 lone 3 99 - 3 - HB2 GLN 28 - HA LEU 68 lone 2 70 - 3 - HG3 GLU 52 - HA LEU 68 lone 2 100 - 2 - HB2 MET 1 - HA LEU 68 lone 2 77 - 3 - HB2 GLU 13 - HA LEU 68 lone 2 61 - 3 - Peak 9763 from cnoeabs.peaks (1.89, 0.38, 23.07 ppm; 5.07 A): 3 out of 20 assignments used, quality = 0.85: HB ILE 71 + QD2 LEU 68 OK 75 100 - 75 - 2.1/9775=42, 8147/4.0=19...(9) QE MET 67 + QD2 LEU 68 OK 33 84 - 40 - 7641/4.8=20, 9728/4.0=10...(6) HB2 GLU 128 + QD2 LEU 68 OK 10 96 - 11 - 3.0/9754=3, ~11053=3...(4) HB2 LEU 45 - QD2 LEU 68 poor 10 90 - 11 - 3.1/9767=2, 1.8/11640=1...(4) HB3 LYS 73 - QD2 LEU 68 lone 10 100 - 10 - 8146/4.0=3, ~9764=1...(4) HB2 LYS 73 - QD2 LEU 68 lone 9 100 - 10 - 8146/4.0=3, ~9764=1...(4) HG LEU 45 - QD2 LEU 68 lone 9 90 - 10 - 2.1/9767=2, 3.0/11640=1, ~9764=1 HB ILE 7 - QD2 LEU 68 lone 8 100 - 8 - 2.1/9767=1, 11291/9767=1 HB2 LYS 20 - QD2 LEU 68 lone 7 100 - 7 - 2.9/11640=1 HB3 LYS 20 - QD2 LEU 68 lone 7 100 - 7 - 2.9/11640=1 HB3 LYS 43 - QD2 LEU 68 lone 6 96 - 6 - HB2 LYS 43 - QD2 LEU 68 lone 5 81 - 6 - HB3 LYS 44 - QD2 LEU 68 lone 4 84 - 4 - HB2 LYS 96 - QD2 LEU 68 lone 3 96 - 4 - HB3 LYS 16 - QD2 LEU 68 lone 3 87 - 3 - HB2 ARG 95 - QD2 LEU 68 lone 3 99 - 3 - HB2 LYS 16 - QD2 LEU 68 lone 3 84 - 3 - HB2 LYS 44 - QD2 LEU 68 lone 3 65 - 4 - HB2 LYS 49 - QD2 LEU 68 lone 2 98 - 2 - HG2 ARG 95 - QD2 LEU 68 lone 2 70 - 2 - Peak 9764 from cnoeabs.peaks (1.90, 0.51, 25.27 ppm; 6.05 A): 6 out of 20 assignments used, quality = 0.92: HB ILE 71 + QD1 LEU 68 OK 75 96 - 78 - ~9775=39, 11643/2.1=26...(9) HB2 LEU 81 + QD1 LEU 68 OK 40 77 - 52 - ~11608=32, 3.1/9766=13...(5) HB2 GLU 128 + QD1 LEU 68 OK 15 100 - 15 - 3.0/11053=6, ~9754=4...(4) HB2 LEU 45 + QD1 LEU 68 OK 14 100 - 14 - 9763/2.1=2, 9441/10198=2...(8) HB2 LYS 73 + QD1 LEU 68 OK 13 94 - 14 - 8146/4.0=3, 3.8/11075=2...(6) HB3 LYS 73 + QD1 LEU 68 OK 13 92 - 14 - 8146/4.0=3, 3.8/11075=2...(6) HB3 LYS 43 - QD1 LEU 68 lone 10 100 - 10 - 3.8/11075=1, 9763/2.1=1 HB2 LYS 43 - QD1 LEU 68 lone 10 100 - 10 - 3.8/11075=1, ~9763=1 HB3 LYS 123 - QD1 LEU 68 poor 9 92 - 10 - 2.9/11075=2, ~7074=2...(4) HB2 LYS 20 - QD1 LEU 68 poor 9 81 - 11 - 3.4/11075=2, 3.4/11075=2...(5) HB3 LYS 20 - QD1 LEU 68 poor 9 81 - 11 - 3.4/11075=2, 3.4/11075=2...(5) HB ILE 7 - QD1 LEU 68 lone 8 87 - 9 - 11094/9922=2, 9763/2.1=1 HB3 LYS 44 - QD1 LEU 68 lone 7 100 - 7 - HB2 LYS 44 - QD1 LEU 68 lone 7 97 - 7 - HB3 LYS 17 - QD1 LEU 68 lone 6 65 - 9 - 11475/9922=3...(3) HB2 LYS 96 - QD1 LEU 68 lone 6 100 - 6 - HB ILE 15 - QD1 LEU 68 lone 5 90 - 6 - ~9768=2 HB2 ARG 95 - QD1 LEU 68 lone 4 97 - 4 - HB2 LYS 49 - QD1 LEU 68 lone 3 99 - 3 - HG2 MET 121 - QD1 LEU 68 lone 3 84 - 3 - Peak 9765 from cnoeabs.peaks (0.78, 0.51, 25.27 ppm; 3.25 A): 4 out of 10 assignments used, quality = 0.96: QD2 LEU 80 + QD1 LEU 68 OK 62 99 - 62 - 9922=30, 2.1/9925=13...(11) QD2 LEU 64 + QD1 LEU 68 OK 60 100 - 60 - 11270/2.1=17, ~11269=13...(16) QD1 LEU 80 + QD1 LEU 68 OK 60 99 - 61 - 2.1/9922=25, 9925=15...(12) QD1 LEU 81 + QD1 LEU 68 OK 33 94 - 35 - 11608/2.1=22, 2.1/9766=7...(6) QD1 LEU 82 - QD1 LEU 68 OK 16 100 - 16 - 11397/2.1=5, ~11396=2...(7) QG2 VAL 32 - QD1 LEU 68 lone 3 70 - 4 - 9290/4.0=1, 2.1/11071=1 QD1 ILE 7 - QD1 LEU 68 lone 2 84 - 3 - QD1 ILE 15 - QD1 LEU 68 lone 1 73 - 2 - QG1 VAL 107 - QD1 LEU 68 lone 1 70 - 1 - QD2 LEU 14 - QD1 LEU 68 lone 1 70 - 1 - Peak 9766 from cnoeabs.peaks (0.70, 0.51, 25.27 ppm; 3.58 A): 3 out of 8 assignments used, quality = 0.77: QD1 LEU 6 + QD1 LEU 68 OK 54 90 - 60 - 11565/2.1=31, ~11343=13...(8) QD2 LEU 81 + QD1 LEU 68 OK 32 100 - 32 - ~11608=16, 2.1/9765=5...(7) QD2 LEU 63 + QD1 LEU 68 OK 28 99 - 28 - ~11343=6, ~9767=4...(9) QG2 ILE 56 - QD1 LEU 68 lone 5 92 - 6 - 11250/4.0=2, 9756/4.8=1 QG1 VAL 117 - QD1 LEU 68 lone 2 70 - 3 - QD1 ILE 57 - QD1 LEU 68 lone 2 100 - 2 - QG2 ILE 18 - QD1 LEU 68 lone 1 81 - 1 - QD1 LEU 55 - QD1 LEU 68 lone 1 57 - 2 - Peak 9767 from cnoeabs.peaks (0.74, 0.38, 23.07 ppm; 3.12 A): 3 out of 11 assignments used, quality = 0.74: QD2 LEU 6 + QD2 LEU 68 OK 55 100 - 55 - 11343=24, 2.1/11565=24...(8) QD1 LEU 63 + QD2 LEU 68 OK 24 99 - 24 - 11343=12, ~9766=3...(7) QG2 VAL 78 + QD2 LEU 68 OK 24 90 - 27 - 2.1/9768=15, 11274/2.1=4...(6) QG2 ILE 54 - QD2 LEU 68 lone 4 92 - 4 - 3.1/9768=2 QD2 LEU 45 - QD2 LEU 68 lone 4 90 - 4 - QG2 ILE 7 - QD2 LEU 68 lone 3 96 - 4 - 11582/9865=2 QD1 LEU 45 - QD2 LEU 68 lone 2 65 - 4 - QG1 VAL 117 - QD2 LEU 68 lone 2 77 - 2 - QD2 LEU 55 - QD2 LEU 68 lone 1 100 - 1 - HG13 ILE 18 - QD2 LEU 68 lone 1 97 - 1 - QG2 ILE 18 - QD2 LEU 68 lone 1 65 - 1 - Peak 9768 from cnoeabs.peaks (0.63, 0.38, 23.07 ppm; 3.60 A): 0 out of 6 assignments used, low quality = 0.24: QG1 VAL 78 - QD2 LEU 68 OK 24 65 - 37 - 9865=12, 2.1/9767=8...(9) QD1 ILE 5 - QD2 LEU 68 lone 8 94 - 8 - 4694/4696=2, 9055/4633=1 QD1 ILE 54 - QD2 LEU 68 lone 5 100 - 5 - 9484/4696=1, 3.1/9767=1 QD1 LEU 4 - QD2 LEU 68 lone 3 94 - 3 - QG1 VAL 22 - QD2 LEU 68 lone 2 99 - 2 - HG13 ILE 15 - QD2 LEU 68 lone 2 100 - 2 - Peak 9769 from cnoeabs.peaks (3.95, 0.91, 25.18 ppm; 3.80 A): 3 out of 4 assignments used, quality = 0.80: HA MET 67 + QD1 LEU 70 OK 69 99 - 69 - 9702=17, 8139/3.1=13...(12) HA ILE 97 + QD1 LEU 70 OK 22 81 - 28 - 9770/2.1=5, 8142/3.1=5...(7) HB3 SER 35 + QD1 LEU 70 OK 20 100 - 20 - 9770/2.1=4, 8142/3.1=4...(7) HA GLU 21 - QD1 LEU 70 lone 6 90 - 6 - 9770/2.1=1, 11364/2.1=1...(4) Peak 9770 from cnoeabs.peaks (3.95, 0.90, 23.17 ppm; 4.76 A): 3 out of 5 assignments used, quality = 0.93: HA MET 67 + QD2 LEU 70 OK 84 100 - 84 - 9769/2.1=27, 8141/3.1=19...(12) HA ILE 97 + QD2 LEU 70 OK 38 92 - 42 - 9769/2.1=9, 8142/3.1=8...(12) HB3 SER 35 + QD2 LEU 70 OK 32 100 - 32 - 9769/2.1=8, 8142/3.1=6...(7) HA GLU 21 - QD2 LEU 70 poor 9 77 - 11 - 9769/2.1=2, 11364/2.1=2...(6) HA MET 121 - QD2 LEU 70 lone 4 70 - 5 - 8303/4.7=1 Peak 9772 from cnoeabs.peaks (1.20, 3.74, 64.24 ppm; 5.87 A): 1 out of 1 assignment used, quality = 0.93: HB3 LEU 74 + HA ILE 71 OK 93 100 - 93 - 3.1/9819=43...(10) Peak 9773 from cnoeabs.peaks (1.49, 3.74, 64.24 ppm; 5.74 A): 4 out of 10 assignments used, quality = 0.63: HG3 LYS 73 + HA ILE 71 OK 36 84 - 43 - 4.9/2124=27, ~1467=4...(8) QB ALA 124 + HA ILE 71 OK 19 84 - 24 - ~10630=6, ~5083=5...(6) HB3 LEU 45 + HA ILE 71 OK 18 99 - 19 - 4611/4572=13, 1481/2124=1 HG2 ARG 30 + HA ILE 71 OK 11 98 - 11 - 10927/4.2=6, ~9789=3 HG3 LYS 20 - HA ILE 71 lone 6 77 - 8 - 1481/2124=2 HG2 LYS 20 - HA ILE 71 lone 5 77 - 6 - HB2 LEU 6 - HA ILE 71 lone 3 70 - 4 - ~11561=1 HG3 ARG 118 - HA ILE 71 lone 2 96 - 2 - HB3 LEU 14 - HA ILE 71 lone 2 97 - 2 - HD2 LYS 53 - HA ILE 71 lone 2 90 - 2 - Peak 9775 from cnoeabs.peaks (0.38, 0.82, 18.37 ppm; 4.73 A): 0 out of 1 assignment used, low quality = 0.41: QD2 LEU 68 - QG2 ILE 71 OK 41 100 - 41 - 11643/2.1=15, ~11075=9...(7) Peak 9776 from cnoeabs.peaks (0.36, 0.65, 14.72 ppm; 3.93 A): 0 out of 1 assignment used, low quality = 0.12: QD1 ILE 97 - QD1 ILE 71 OK 12 100 - 12 - 4.2/9783=4, ~10134=2...(4) Peak 9777 from cnoeabs.peaks (1.44, 0.65, 14.72 ppm; 4.15 A): 6 out of 19 assignments used, quality = 0.56: HG3 ARG 30 + QD1 ILE 71 OK 15 92 - 16 - 1.8/10927=5, 3.0/9262=4...(5) HB3 LEU 4 + QD1 ILE 71 OK 14 99 - 14 - 9035/4617=2, ~5089=2...(4) HB2 LEU 4 + QD1 ILE 71 OK 14 99 - 14 - 9035/4617=2, ~5089=2...(4) HG LEU 4 + QD1 ILE 71 OK 13 94 - 14 - 9036/4617=3, ~5089=3...(5) HG12 ILE 56 + QD1 ILE 71 OK 11 77 - 14 - 3.2/4473=3, 2.9/4466=3...(6) HG3 LYS 17 + QD1 ILE 71 OK 10 84 - 12 - 10918=4, 3.0/10915=2...(5) HG2 LYS 96 - QD1 ILE 71 lone 7 100 - 7 - 1.8/9778=2 HG LEU 80 - QD1 ILE 71 lone 5 100 - 5 - 5.3/5104=1, ~11094=1 HB3 LEU 63 - QD1 ILE 71 lone 3 73 - 4 - 1.8/11630=1, 9721/9726=1 HG2 LYS 49 - QD1 ILE 71 lone 3 73 - 4 - HG3 LYS 49 - QD1 ILE 71 lone 3 73 - 4 - HG3 LYS 44 - QD1 ILE 71 lone 3 99 - 3 - HB3 LEU 38 - QD1 ILE 71 lone 2 61 - 4 - 9429/11630=2 HG2 LYS 106 - QD1 ILE 71 lone 2 65 - 3 - HG12 ILE 57 - QD1 ILE 71 lone 2 65 - 3 - 4.6/344=2 HG2 LYS 39 - QD1 ILE 71 lone 2 77 - 3 - ~10612=1 HB3 LEU 6 - QD1 ILE 71 lone 1 73 - 2 - HB3 LYS 61 - QD1 ILE 71 lone 1 92 - 1 - HG12 ILE 7 - QD1 ILE 71 lone 1 70 - 1 - Peak 9778 from cnoeabs.peaks (1.58, 0.65, 14.72 ppm; 4.55 A): 3 out of 15 assignments used, quality = 0.74: HG LEU 68 + QD1 ILE 71 OK 50 92 - 54 - 3.7/9784=19, ~9775=19...(7) HB3 LEU 70 + QD1 ILE 71 OK 33 96 - 35 - 4.5/1471=21, 3.0/11630=3...(8) HG2 LYS 123 + QD1 ILE 71 OK 24 100 - 24 - ~10612=9, 4.7/5104=4...(4) HG3 LYS 96 - QD1 ILE 71 lone 10 96 - 10 - 1.8/9777=3, 10129/9776=1 HG2 LYS 115 - QD1 ILE 71 lone 4 70 - 6 - 10129/9776=2 HG2 LYS 73 - QD1 ILE 71 lone 4 61 - 7 - ~9789=2 HG2 LYS 44 - QD1 ILE 71 lone 4 99 - 4 - 1.8/9777=1 HD3 LYS 106 - QD1 ILE 71 lone 3 73 - 4 - HD2 LYS 106 - QD1 ILE 71 lone 3 70 - 4 - HG LEU 55 - QD1 ILE 71 lone 3 87 - 3 - 335/1368=1 HG12 ILE 116 - QD1 ILE 71 lone 2 98 - 2 - HG12 ILE 3 - QD1 ILE 71 lone 2 70 - 2 - HD3 LYS 19 - QD1 ILE 71 lone 1 73 - 1 - HD2 LYS 19 - QD1 ILE 71 lone 1 73 - 1 - HG3 LYS 19 - QD1 ILE 71 lone 1 65 - 1 - Peak 9779 from cnoeabs.peaks (2.04, 0.65, 14.72 ppm; 4.70 A): 1 out of 17 assignments used, quality = 0.74: HB3 MET 67 + QD1 ILE 71 OK 74 94 - 79 - 3.0/9781=28, 3.0/9782=26...(11) HB2 GLU 66 - QD1 ILE 71 lone 8 100 - 8 - 9761/9784=1, 3.0/9781=1 HB3 GLN 100 - QD1 ILE 71 lone 6 96 - 6 - 1.8/9780=2 HB3 GLN 85 - QD1 ILE 71 lone 4 100 - 3 - HG3 GLU 52 - QD1 ILE 71 lone 4 99 - 3 - 3.0/11351=1 HB2 GLU 48 - QD1 ILE 71 lone 3 100 - 3 - 4.7/5104=1 HB3 GLU 48 - QD1 ILE 71 lone 3 100 - 3 - 4.7/5104=1 HB VAL 117 - QD1 ILE 71 lone 3 97 - 3 - HB3 GLU 98 - QD1 ILE 71 lone 3 84 - 3 - HB2 MET 1 - QD1 ILE 71 lone 2 92 - 2 - HB3 GLU 111 - QD1 ILE 71 lone 2 70 - 2 - HB3 GLU 89 - QD1 ILE 71 lone 2 100 - 2 - HB2 GLU 89 - QD1 ILE 71 lone 2 100 - 2 - HB3 GLU 87 - QD1 ILE 71 lone 1 100 - 1 - HB2 GLU 92 - QD1 ILE 71 lone 1 84 - 1 - HB2 GLU 47 - QD1 ILE 71 lone 1 73 - 1 - HB2 GLN 25 - QD1 ILE 71 lone 1 61 - 2 - Peak 9780 from cnoeabs.peaks (2.21, 0.65, 14.72 ppm; 5.66 A): 2 out of 8 assignments used, quality = 0.92: HB2 MET 67 + QD1 ILE 71 OK 90 99 - 91 - 3.0/9782=37, 3.0/9781=35...(12) HB2 MET 42 + QD1 ILE 71 OK 20 70 - 29 - 4.2/11630=21, ~9787=8 HB2 GLN 100 - QD1 ILE 71 lone 9 100 - 9 - 1.8/9779=2, 11120/9783=2 HG3 GLN 28 - QD1 ILE 71 lone 7 98 - 7 - 1.8/11483=3, 11482=2 HB2 GLU 69 - QD1 ILE 71 lone 6 97 - 6 - 11120/9783=1 HG2 GLU 48 - QD1 ILE 71 lone 4 98 - 4 - 3.0/9779=1, 3.0/9779=1 HB3 MET 1 - QD1 ILE 71 lone 4 92 - 4 - 4573/9801=2 HB2 GLN 83 - QD1 ILE 71 lone 2 99 - 2 - Peak 9781 from cnoeabs.peaks (2.39, 0.65, 14.72 ppm; 4.26 A): 2 out of 7 assignments used, quality = 0.76: HG3 MET 67 + QD1 ILE 71 OK 73 96 - 76 - 1.8/9782=24, 9720=20...(12) HG2 GLN 122 + QD1 ILE 71 OK 10 61 - 17 - 3.5/9800=15 HG2 GLU 66 - QD1 ILE 71 lone 3 99 - 4 - 3.0/9779=2 HB3 TYR 27 - QD1 ILE 71 lone 2 77 - 3 - HG3 GLN 85 - QD1 ILE 71 lone 2 65 - 3 - HG2 GLU 98 - QD1 ILE 71 lone 2 92 - 2 - HG2 GLN 25 - QD1 ILE 71 lone 1 99 - 1 - Peak 9782 from cnoeabs.peaks (2.55, 0.65, 14.72 ppm; 5.28 A): 1 out of 3 assignments used, quality = 0.60: HG2 MET 67 + QD1 ILE 71 OK 60 70 - 87 - 1.8/9781=38, 3.0/9779=24...(10) HB3 ASP 60 - QD1 ILE 71 lone 2 65 - 2 - HB3 ASP 86 - QD1 ILE 71 lone 1 73 - 2 - Peak 9783 from cnoeabs.peaks (3.95, 0.65, 14.72 ppm; 6.00 A): 3 out of 4 assignments used, quality = 0.94: HA MET 67 + QD1 ILE 71 OK 88 100 - 88 - 3.7/9782=36, 3.7/9781=34...(12) HA ILE 97 + QD1 ILE 71 OK 46 84 - 55 - 4.2/9776=44, ~10134=6...(4) HB3 SER 35 + QD1 ILE 71 OK 11 100 - 11 - 2118/5.0=5 HA GLU 21 - QD1 ILE 71 lone 7 87 - 8 - ~9204=2, 2118/5.0=2 Peak 9784 from cnoeabs.peaks (3.78, 0.65, 14.72 ppm; 3.92 A): 3 out of 3 assignments used, quality = 0.79: HA LEU 68 + QD1 ILE 71 OK 64 100 - 64 - 9760=22, 9758/2.1=19...(12) HB2 SER 58 + QD1 ILE 71 OK 31 100 - 31 - 9785/2.1=8, 8147/3.2=8...(8) HA LYS 65 + QD1 ILE 71 OK 15 70 - 22 - 8147/3.2=4, 9785/2.1=4...(7) Peak 9785 from cnoeabs.peaks (3.78, 1.02, 28.69 ppm; 4.64 A): 3 out of 3 assignments used, quality = 0.87: HA LEU 68 + HG13 ILE 71 OK 73 100 - 73 - 9758=35, 9784/2.1=26...(7) HB2 SER 58 + HG13 ILE 71 OK 39 100 - 39 - 9784/2.1=13, 8147/3.0=11...(6) HA LYS 65 + HG13 ILE 71 OK 19 70 - 27 - 9784/2.1=6, 8147/3.0=6...(8) Peak 9786 from cnoeabs.peaks (2.84, 0.82, 18.37 ppm; 4.54 A): 1 out of 5 assignments used, quality = 0.89: HB3 TYR 76 + QG2 ILE 71 OK 89 99 - 90 - 2.5/9798=36, 1.8/9787=30...(15) HE2 LYS 17 - QG2 ILE 71 lone 5 99 - 5 - ~10920=1, ~10919=1 HE2 LYS 77 - QG2 ILE 71 lone 2 65 - 4 - 1.8/11078=1 HB2 ASP 36 - QG2 ILE 71 lone 1 100 - 1 - HB2 ASN 88 - QG2 ILE 71 lone 1 97 - 1 - Peak 9787 from cnoeabs.peaks (2.66, 0.82, 18.37 ppm; 3.92 A): 2 out of 8 assignments used, quality = 0.86: HB2 TYR 76 + QG2 ILE 71 OK 79 97 - 81 - 2.5/9798=28, 1.8/9786=26...(14) HG2 MET 42 + QG2 ILE 71 OK 35 100 - 35 - 3.3/11530=13, ~9426=8...(6) HB2 TYR 27 - QG2 ILE 71 lone 2 98 - 2 - HB3 ASP 36 - QG2 ILE 71 lone 1 99 - 1 - HB2 ASP 12 - QG2 ILE 71 lone 1 77 - 1 - HB3 ASP 12 - QG2 ILE 71 lone 1 77 - 1 - HB3 ASP 84 - QG2 ILE 71 lone 1 97 - 1 - HE3 LYS 61 - QG2 ILE 71 lone 0 70 - 1 - Peak 9788 from cnoeabs.peaks (1.56, 0.82, 18.37 ppm; 4.57 A): 4 out of 13 assignments used, quality = 0.68: QB ALA 46 + QG2 ILE 71 OK 40 98 - 41 - 9461=18, 2.1/9455=15...(8) HB3 LEU 70 + QG2 ILE 71 OK 27 81 - 34 - 4.5/5083=17, 3.8/9795=7...(7) HG2 LYS 123 + QG2 ILE 71 OK 19 61 - 32 - 1.8/10612=17, 4.7/5083=5...(6) HB VAL 78 + QG2 ILE 71 OK 10 100 - 10 - 11290/9775=3, ~11291=2...(4) HG2 LYS 65 - QG2 ILE 71 lone 8 97 - 8 - 5.0/396=2, 11131/3.3=1 HG2 LYS 115 - QG2 ILE 71 lone 7 99 - 7 - 11131/3.3=1, 7890/4.1=1 HG3 LYS 96 - QG2 ILE 71 lone 7 81 - 8 - ~9777=1, 11131/3.3=1, 437/4.0=1 HG12 ILE 3 - QG2 ILE 71 lone 4 99 - 4 - 4625/9799=1 HD2 LYS 106 - QG2 ILE 71 lone 3 99 - 3 - HD3 LYS 106 - QG2 ILE 71 lone 3 98 - 3 - HD2 LYS 94 - QG2 ILE 71 lone 2 61 - 4 - 9428/11530=1 HD3 LYS 94 - QG2 ILE 71 lone 2 61 - 4 - 9428/11530=1 HG LEU 55 - QG2 ILE 71 lone 1 92 - 1 - Peak 9789 from cnoeabs.peaks (1.46, 0.82, 18.37 ppm; 4.05 A): 3 out of 15 assignments used, quality = 0.67: HB2 LEU 74 + QG2 ILE 71 OK 56 100 - 56 - 11275/3.2=12, ~9772=12...(13) HG LEU 4 + QG2 ILE 71 OK 16 84 - 19 - 2.1/5089=6, 9036/9798=5...(6) HG3 ARG 30 + QG2 ILE 71 OK 10 87 - 12 - ~10927=3, ~9262=2...(6) HG3 LYS 73 - QG2 ILE 71 poor 9 81 - 12 - 4.9/9795=6 HB3 LEU 38 - QG2 ILE 71 lone 5 100 - 5 - 9429/11530=3 HG2 LYS 49 - QG2 ILE 71 lone 4 98 - 4 - HG3 LYS 49 - QG2 ILE 71 lone 4 98 - 4 - HG2 LYS 39 - QG2 ILE 71 lone 4 97 - 4 - 1.8/10612=2 HG3 LYS 20 - QG2 ILE 71 lone 3 87 - 3 - HG2 LYS 106 - QG2 ILE 71 lone 3 99 - 3 - HB3 LEU 6 - QG2 ILE 71 lone 2 98 - 2 - HG12 ILE 7 - QG2 ILE 71 lone 2 99 - 2 - HG12 ILE 57 - QG2 ILE 71 lone 1 99 - 2 - HD2 LYS 53 - QG2 ILE 71 lone 1 73 - 1 - HG3 ARG 118 - QG2 ILE 71 lone 1 61 - 1 - Peak 9790 from cnoeabs.peaks (7.61, 3.74, 64.24 ppm; 4.86 A): 2 out of 7 assignments used, quality = 0.87: H LEU 74 + HA ILE 71 OK 84 100 - 84 - 4.8/9819=25...(14) H LYS 16 + HA ILE 71 OK 18 100 - 18 - 5241/9819=3, 452/2124=3...(7) H LYS 115 - HA ILE 71 poor 9 90 - 10 - 9802/3.6=3, 4.9/9694=2 H ASP 34 - HA ILE 71 lone 2 92 - 2 - H GLN 100 - HA ILE 71 lone 2 70 - 3 - HE ARG 105 - HA ILE 71 lone 2 97 - 2 - HE21 GLN 85 - HA ILE 71 lone 2 65 - 2 - Peak 9791 from cnoeabs.peaks (6.86, 3.74, 64.24 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.98: QD TYR 76 + HA ILE 71 OK 98 100 - 98 - 4572=48, 9798/3.2=33...(20) HE22 GLN 25 - HA ILE 71 lone 1 61 - 2 - Peak 9794 from cnoeabs.peaks (6.84, 1.90, 37.90 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.85: QD TYR 76 + HB ILE 71 OK 76 77 - 99 - 9798/2.1=43, ~9786=35...(23) HE22 GLN 122 + HB ILE 71 OK 36 92 - 39 - 9800/3.2=34, 9798/2.1=6 Peak 9795 from cnoeabs.peaks (7.71, 0.82, 18.37 ppm; 5.50 A): 3 out of 3 assignments used, quality = 0.96: H LYS 73 + QG2 ILE 71 OK 80 96 - 83 - 448/4.1=34, 3.6/11371=32...(14) H LEU 70 + QG2 ILE 71 OK 63 100 - 63 - 1913/4.0=30, 2114/4.1=20...(10) H GLU 47 + QG2 ILE 71 OK 41 100 - 41 - 3.7/9461=17, 3.6/9455=15...(6) Peak 9797 from cnoeabs.peaks (7.36, 0.82, 18.37 ppm; 4.80 A): 2 out of 2 assignments used, quality = 0.87: H TYR 76 + QG2 ILE 71 OK 73 100 - 73 - 4.4/9798=27, 4.0/9786=26...(10) HD21 ASN 8 + QG2 ILE 71 OK 51 99 - 51 - 10752/3.2=21, ~10753=18...(8) Peak 9798 from cnoeabs.peaks (6.85, 0.82, 18.37 ppm; 3.95 A): 2 out of 2 assignments used, quality = 0.83: QD TYR 76 + QG2 ILE 71 OK 81 92 - 88 - 2.5/9786=24, 2.5/9787=22...(20) HE22 GLN 122 + QG2 ILE 71 OK 12 77 - 15 - 9800/3.3=10, 9794/2.1=4 Peak 9799 from cnoeabs.peaks (6.71, 0.82, 18.37 ppm; 4.44 A): 3 out of 3 assignments used, quality = 0.88: QE TYR 76 + QG2 ILE 71 OK 83 92 - 91 - 2.2/9798=36, 4.4/9786=21...(20) QE TYR 102 + QG2 ILE 71 OK 20 90 - 23 - 4633/9775=8, 9801/3.3=4...(7) QD PHE 79 + QG2 ILE 71 OK 11 77 - 14 - 9801/3.3=3, 9750/9775=2...(8) Peak 9800 from cnoeabs.peaks (6.83, 0.65, 14.72 ppm; 6.20 A): 0 out of 1 assignment used, low quality = 0.23: HE22 GLN 122 - QD1 ILE 71 OK 23 99 - 23 - 9794/3.2=11, 3.5/9781=5...(4) Peak 9801 from cnoeabs.peaks (6.71, 0.65, 14.72 ppm; 5.73 A): 3 out of 3 assignments used, quality = 0.91: QE TYR 76 + QD1 ILE 71 OK 85 92 - 93 - 9799/3.3=32, ~9798=29...(18) QE TYR 102 + QD1 ILE 71 OK 26 90 - 29 - 9799/3.3=8, 10199/9776=5...(8) QD PHE 79 + QD1 ILE 71 OK 16 77 - 20 - 9799/3.3=4, 4.6/5104=3...(8) Peak 9807 from cnoeabs.peaks (0.81, 4.37, 61.37 ppm; 4.93 A): 3 out of 8 assignments used, quality = 0.77: QG2 ILE 71 + HA SER 72 OK 68 92 - 74 - 11371=36, 444/2.9=19...(9) QD1 LEU 74 + HA SER 72 OK 16 92 - 18 - 444/2.9=7, ~444=5...(4) QD2 LEU 74 + HA SER 72 OK 15 87 - 18 - 444/2.9=7, ~444=5...(4) QD1 LEU 114 - HA SER 72 lone 4 100 - 4 - ~447=2, 444/2.9=2 QD1 LEU 64 - HA SER 72 lone 3 97 - 4 - 444/2.9=2 QD1 LEU 81 - HA SER 72 lone 1 65 - 2 - QG1 VAL 29 - HA SER 72 lone 1 97 - 1 - QD2 LEU 82 - HA SER 72 lone 1 65 - 1 - Peak 9808 from cnoeabs.peaks (0.63, 4.37, 61.37 ppm; 5.46 A): 0 out of 6 assignments used, low quality = 0.00: QG1 VAL 22 - HA SER 72 lone 7 99 - 7 - 10848/2.9=3, ~10849=2 QD1 ILE 5 - HA SER 72 lone 4 94 - 4 - 9064/3.0=1, 9064/3.0=1 QD1 ILE 54 - HA SER 72 lone 4 100 - 4 - QD1 LEU 4 - HA SER 72 lone 3 94 - 4 - 447/2.9=2 HG13 ILE 15 - HA SER 72 lone 2 100 - 2 - QG1 VAL 78 - HA SER 72 lone 1 65 - 1 - Peak 9817 from cnoeabs.peaks (6.85, 0.82, 25.82 ppm; 5.56 A): 2 out of 2 assignments used, quality = 0.81: QD TYR 76 + QD1 LEU 74 OK 78 92 - 85 - 2.2/9818=28, 4610/2.1=21...(16) HE22 GLN 122 + QD1 LEU 74 OK 15 77 - 20 - 9821/2.1=17, 9800/5107=2 Peak 9818 from cnoeabs.peaks (6.71, 0.82, 25.82 ppm; 4.33 A): 2 out of 3 assignments used, quality = 0.75: QE TYR 76 + QD1 LEU 74 OK 61 99 - 61 - 2.2/9817=19, ~4610=11...(11) QD PHE 79 + QD1 LEU 74 OK 38 94 - 40 - ~4657=18, ~9914=5...(11) QE TYR 102 - QD1 LEU 74 lone 5 99 - 5 - Peak 9819 from cnoeabs.peaks (3.73, 0.82, 25.82 ppm; 4.27 A): 1 out of 3 assignments used, quality = 0.78: HA ILE 71 + QD1 LEU 74 OK 78 100 - 78 - 11347/2.1=31...(13) HA LYS 61 - QD1 LEU 74 lone 4 84 - 4 - 11347/2.1=1, 11275/3.1=1 HA2 GLY 101 - QD1 LEU 74 lone 2 84 - 2 - Peak 9820 from cnoeabs.peaks (6.69, 0.82, 21.88 ppm; 6.20 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9821 from cnoeabs.peaks (6.83, 0.82, 21.88 ppm; 6.20 A): 0 out of 1 assignment used, low quality = 0.00: HE22 GLN 122 - QD2 LEU 74 lone 8 100 - 8 - 9817/2.1=4, 9800/5107=2 Peak 9822 from cnoeabs.peaks (7.37, 4.23, 55.20 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.85: H TYR 76 + HA LEU 74 OK 83 100 - 83 - 469/3.6=48, 9832/3.0=44...(5) HD21 ASN 8 + HA LEU 74 OK 12 100 - 12 - 9106/4.0=3, 9106/4.0=3...(4) Peak 9835 from cnoeabs.peaks (1.43, 2.66, 37.96 ppm; 6.20 A): 2 out of 10 assignments used, quality = 1.00: HB3 LEU 4 + HB2 TYR 76 OK 95 98 - 97 - ~9037=37, ~9039=34...(18) HB2 LEU 4 + HB2 TYR 76 OK 95 98 - 97 - ~9037=37, ~9039=34...(18) HG12 ILE 56 - HB2 TYR 76 OK 34 99 - 35 - ~4615=11, ~4617=6...(7) HB3 GLN 83 - HB2 TYR 76 OK 21 90 - 24 - ~10000=7, ~10001=7...(4) HB3 LYS 61 - HB2 TYR 76 lone 9 100 - 9 - ~4614=3, 4624/4.4=2...(4) HB3 LEU 63 - HB2 TYR 76 lone 7 99 - 7 - 3.1/11280=1 HG3 LYS 44 - HB2 TYR 76 lone 6 97 - 6 - ~4610=1 HG LEU 80 - HB2 TYR 76 lone 5 92 - 5 - 9036/2.5=1 HG3 LYS 17 - HB2 TYR 76 lone 4 100 - 4 - HG2 LYS 96 - HB2 TYR 76 lone 4 94 - 4 - Peak 9836 from cnoeabs.peaks (0.81, 2.66, 37.96 ppm; 4.54 A): 3 out of 8 assignments used, quality = 0.95: QG2 ILE 71 + HB2 TYR 76 OK 83 92 - 91 - 9798/2.5=32, 9786/1.8=31...(14) QD1 LEU 74 + HB2 TYR 76 OK 48 92 - 52 - 9817/2.5=19, 9818/4.4=13...(7) QD2 LEU 74 + HB2 TYR 76 OK 44 87 - 51 - ~9817=15, ~4610=11...(8) QD1 LEU 64 - HB2 TYR 76 OK 14 97 - 14 - 9833/4.0=8, 10842/2.5=2...(4) QD1 LEU 114 - HB2 TYR 76 OK 13 100 - 13 - 9833/4.0=7, 10842/2.5=2 QD2 LEU 82 - HB2 TYR 76 lone 2 65 - 4 - QG1 VAL 29 - HB2 TYR 76 lone 2 97 - 2 - QD1 LEU 81 - HB2 TYR 76 lone 1 65 - 2 - 9833/4.0=1 Peak 9837 from cnoeabs.peaks (0.65, 2.66, 37.96 ppm; 4.95 A): 2 out of 6 assignments used, quality = 0.99: QD1 LEU 4 + HB2 TYR 76 OK 91 97 - 94 - 9037/2.5=44, 9045/1.8=35...(16) QD1 ILE 71 + HB2 TYR 76 OK 86 99 - 87 - 3.3/9787=25, ~9786=23...(13) HG13 ILE 15 - HB2 TYR 76 OK 22 84 - 27 - ~4610=7, ~4618=6...(9) QD1 ILE 56 - HB2 TYR 76 OK 21 87 - 24 - ~4615=7, 4617/2.5=6...(8) QG1 VAL 22 - HB2 TYR 76 OK 13 90 - 14 - 10858=3, 2.1/10860=3...(6) QD1 ILE 54 - HB2 TYR 76 lone 4 81 - 4 - 3.1/11280=1 Peak 9840 from cnoeabs.peaks (1.43, 2.85, 37.96 ppm; 6.20 A): 2 out of 20 assignments used, quality = 1.00: HB3 LEU 4 + HB3 TYR 76 OK 96 98 - 98 - ~9037=37, 3.1/9045=37...(19) HB2 LEU 4 + HB3 TYR 76 OK 96 98 - 98 - ~9037=37, 3.1/9045=37...(19) HG12 ILE 56 - HB3 TYR 76 OK 34 99 - 34 - ~4615=11, ~4617=6...(7) HB3 GLN 83 - HB3 TYR 76 OK 21 90 - 23 - ~10000=7, ~10001=7...(4) HB3 LYS 61 - HB3 TYR 76 lone 9 100 - 9 - ~4614=3, 4624/4.4=2...(4) HB3 LEU 63 - HB3 TYR 76 lone 7 99 - 7 - 9835/1.8=1 HG3 LYS 44 - HB3 TYR 76 lone 5 97 - 6 - ~4610=1 HG LEU 80 - HB3 TYR 76 lone 5 92 - 6 - 9036/2.5=1 HG3 LYS 17 - HB3 TYR 76 lone 4 100 - 4 - HG2 LYS 96 - HB3 TYR 76 lone 4 94 - 4 - HB2 LEU 4 - HB2 ASN 88 lone 3 77 - 4 - HB3 LEU 4 - HB2 ASN 88 lone 3 77 - 4 - HG12 ILE 56 - HB2 ASN 88 lone 3 79 - 4 - 7578/4.0=2 HG LEU 80 - HB2 ASN 88 lone 2 69 - 3 - ~10816=1 HB3 LEU 63 - HB2 ASN 88 lone 2 78 - 2 - HG3 LYS 17 - HB2 ASN 88 lone 2 81 - 2 - HB3 GLN 83 - HB2 ASN 88 lone 2 67 - 2 - HB3 LYS 61 - HB2 ASN 88 lone 1 81 - 2 - HG3 LYS 44 - HB2 ASN 88 lone 1 75 - 2 - HG2 LYS 96 - HB2 ASN 88 lone 1 71 - 2 - Peak 9841 from cnoeabs.peaks (0.82, 2.85, 37.96 ppm; 4.98 A): 3 out of 14 assignments used, quality = 0.99: QG2 ILE 71 + HB3 TYR 76 OK 96 100 - 96 - 9786=44, 9798/2.5=39...(15) QD1 LEU 74 + HB3 TYR 76 OK 62 100 - 62 - 9817/2.5=26, 9818/4.4=17...(7) QD2 LEU 74 + HB3 TYR 76 OK 59 100 - 59 - ~9817=19, ~4610=14...(8) QD1 LEU 64 - HB3 TYR 76 OK 15 99 - 15 - 11689/4.0=7, 9836/1.8=2...(5) QD1 LEU 114 - HB3 TYR 76 OK 11 84 - 13 - 9833/4.0=5, 9836/1.8=2...(5) QD2 LEU 82 - HB3 TYR 76 lone 5 97 - 5 - QG2 ILE 71 - HB2 ASN 88 lone 1 81 - 2 - QG1 VAL 29 - HB3 TYR 76 lone 1 65 - 2 - QD1 LEU 64 - HB2 ASN 88 lone 1 79 - 1 - QD1 LEU 74 - HB2 ASN 88 lone 1 81 - 1 - QD2 LEU 74 - HB2 ASN 88 lone 1 81 - 1 - QD1 LEU 114 - HB2 ASN 88 lone 1 61 - 1 - QD2 LEU 82 - HB2 ASN 88 lone 1 75 - 1 - QG1 VAL 29 - HB2 ASN 88 lone 0 46 - 1 - Peak 9842 from cnoeabs.peaks (0.64, 2.85, 37.96 ppm; 5.11 A): 2 out of 12 assignments used, quality = 0.99: QD1 LEU 4 + HB3 TYR 76 OK 95 100 - 95 - 9037/2.5=47, 9045=39...(15) QD1 ILE 71 + HB3 TYR 76 OK 71 81 - 88 - 3.3/9786=33, ~9798=22...(13) HG13 ILE 15 - HB3 TYR 76 OK 26 99 - 27 - ~4610=7, ~4618=6...(9) QG1 VAL 22 - HB3 TYR 76 OK 12 100 - 12 - 10858/1.8=4, ~10860=2...(4) QD1 ILE 54 - HB3 TYR 76 lone 4 99 - 4 - ~11280=1 QD1 ILE 5 - HB3 TYR 76 lone 2 73 - 3 - 9055/4.4=1 QD1 LEU 4 - HB2 ASN 88 lone 2 81 - 2 - HG13 ILE 15 - HB2 ASN 88 lone 1 79 - 2 - QG1 VAL 22 - HB2 ASN 88 lone 1 81 - 1 - QD1 ILE 71 - HB2 ASN 88 lone 1 58 - 2 - QD1 ILE 54 - HB2 ASN 88 lone 1 78 - 1 - QD1 ILE 5 - HB2 ASN 88 lone 1 52 - 1 - Peak 9847 from cnoeabs.peaks (7.09, 1.17, 24.49 ppm; 5.61 A): 2 out of 2 assignments used, quality = 0.90: QE PHE 79 + HG3 LYS 77 OK 83 98 - 85 - 9852/1.8=29, 2.2/9848=25...(10) HZ PHE 93 + HG3 LYS 77 OK 41 96 - 42 - 9852/1.8=14, 9849/3.0=8...(7) Peak 9848 from cnoeabs.peaks (6.99, 1.17, 24.49 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.93: HZ PHE 79 + HG3 LYS 77 OK 90 100 - 90 - 10811/3.7=32...(13) QD TYR 102 + HG3 LYS 77 OK 30 99 - 30 - 4698/485=9, 9853/1.8=8...(7) Peak 9849 from cnoeabs.peaks (7.08, 1.62, 28.20 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.65: HZ PHE 93 + HD2 LYS 77 OK 41 96 - 43 - 9847/3.0=7, 9852/3.0=7...(9) HZ PHE 93 + HD3 LYS 77 OK 41 95 - 43 - 9847/3.0=7, 9852/3.0=7...(9) Peak 9850 from cnoeabs.peaks (7.01, 1.62, 28.20 ppm; 6.20 A): 4 out of 8 assignments used, quality = 0.90: HZ PHE 79 + HD2 LYS 77 OK 64 70 - 92 - 10809/3.0=36, ~10808=29...(14) HZ PHE 79 + HD3 LYS 77 OK 64 69 - 92 - 10809/3.0=36, ~10808=29...(14) HZ PHE 120 + HD2 LYS 77 OK 10 87 - 12 - 10809/3.0=2, 3.8/4706=2...(6) HZ PHE 120 + HD3 LYS 77 OK 10 87 - 12 - 10809/3.0=2, 3.8/4706=2...(6) HE22 GLN 28 - HD2 LYS 77 lone 4 98 - 4 - 10809/3.0=1 HE22 GLN 28 - HD3 LYS 77 lone 4 98 - 4 - 10809/3.0=1 HD22 ASN 33 - HD2 LYS 77 lone 2 84 - 3 - HD22 ASN 33 - HD3 LYS 77 lone 2 84 - 3 - Peak 9851 from cnoeabs.peaks (6.73, 1.62, 28.20 ppm; 6.20 A): 4 out of 6 assignments used, quality = 0.95: QD PHE 79 + HD2 LYS 77 OK 72 84 - 86 - ~10808=29, ~10810=26...(10) QD PHE 79 + HD3 LYS 77 OK 72 84 - 86 - ~10808=29, ~10810=26...(10) QE TYR 102 + HD2 LYS 77 OK 17 70 - 25 - ~9848=7, ~10811=6...(4) QE TYR 102 + HD3 LYS 77 OK 17 69 - 25 - ~9848=7, ~10811=6...(4) QE TYR 76 - HD2 LYS 77 lone 3 65 - 4 - QE TYR 76 - HD3 LYS 77 lone 3 65 - 4 - Peak 9852 from cnoeabs.peaks (7.09, 1.35, 24.49 ppm; 5.36 A): 2 out of 4 assignments used, quality = 0.91: QE PHE 79 + HG2 LYS 77 OK 84 98 - 86 - 9847/1.8=26...(12) HZ PHE 93 + HG2 LYS 77 OK 40 96 - 42 - 9847/1.8=12, 2.2/4676=8...(8) QE PHE 79 - HG2 LYS 94 lone 2 39 - 5 - HZ PHE 93 - HG2 LYS 94 lone 1 37 - 3 - Peak 9853 from cnoeabs.peaks (7.00, 1.35, 24.49 ppm; 6.20 A): 2 out of 6 assignments used, quality = 0.91: HZ PHE 79 + HG2 LYS 77 OK 88 99 - 89 - 2.2/9852=31...(12) QD TYR 102 + HG2 LYS 77 OK 25 90 - 28 - 9848/1.8=10, 10811/3.7=6...(7) HE22 GLN 28 - HG2 LYS 77 lone 3 65 - 4 - 10809/3.7=1 HZ PHE 79 - HG2 LYS 94 lone 2 39 - 5 - 2.2/4656=1 QD TYR 102 - HG2 LYS 94 lone 1 33 - 5 - 4687/3.0=1 HE22 GLN 28 - HG2 LYS 94 lone 0 21 - 2 - Peak 9855 from cnoeabs.peaks (4.81, 1.84, 32.22 ppm; 4.53 A): 0 out of 3 assignments used, low quality = 0.30: HA ILE 3 - HB3 LYS 77 OK 17 73 - 23 - 3.8/11691=13, 4.2/11086=11 HA ILE 3 - HB2 LYS 77 OK 16 73 - 22 - 3.8/11691=13, 4.2/11086=10 HA ILE 3 - HB3 LYS 19 lone 1 58 - 2 - Peak 9857 from cnoeabs.peaks (2.76, 1.56, 34.35 ppm; 6.20 A): 1 out of 4 assignments used, quality = 0.87: HB3 TYR 102 + HB VAL 78 OK 87 99 - 88 - 2.5/9872=35, ~9880=27...(9) HG3 MET 42 - HB VAL 78 lone 9 99 - 9 - 3.3/9428=4, ~9860=3 HE2 LYS 2 - HB VAL 78 lone 5 100 - 5 - 11504/2.1=1 HB3 ASN 11 - HB VAL 78 lone 3 87 - 3 - 9866/2.1=1 Peak 9858 from cnoeabs.peaks (4.54, 1.56, 34.35 ppm; 4.90 A): 1 out of 2 assignments used, quality = 0.54: HA LYS 77 + HB VAL 78 OK 54 99 - 54 - 481/3.7=36, 9862/2.1=17 HA ASN 88 - HB VAL 78 poor 8 65 - 12 - 10819/9872=4, 9868/2.1=4...(4) Peak 9859 from cnoeabs.peaks (0.36, 0.72, 22.14 ppm; 3.93 A): 0 out of 1 assignment used, low quality = 0.34: QD1 ILE 97 - QG2 VAL 78 OK 34 100 - 34 - 9865/2.1=15, 10129/2.1=8...(5) Peak 9860 from cnoeabs.peaks (2.65, 0.72, 22.14 ppm; 4.61 A): 2 out of 7 assignments used, quality = 0.53: HB2 TYR 76 + QG2 VAL 78 OK 37 73 - 51 - 2.5/9874=30, 1.8/9861=19...(4) HB3 ASP 36 + QG2 VAL 78 OK 25 81 - 32 - 3.0/9862=14, 1.8/9861=13...(5) HG2 MET 42 - QG2 VAL 78 lone 5 96 - 5 - ~9428=2, ~9857=2 HB2 TYR 27 - QG2 VAL 78 lone 2 77 - 3 - HB2 ASP 12 - QG2 VAL 78 lone 1 98 - 1 - HB3 ASP 12 - QG2 VAL 78 lone 1 98 - 1 - HB3 ASP 84 - QG2 VAL 78 lone 1 73 - 1 - Peak 9861 from cnoeabs.peaks (2.84, 0.72, 22.14 ppm; 4.67 A): 2 out of 5 assignments used, quality = 0.67: HB3 TYR 76 + QG2 VAL 78 OK 50 92 - 54 - 2.5/9874=31, 1.8/9860=21...(4) HB2 ASP 36 + QG2 VAL 78 OK 33 99 - 34 - 1.8/9860=14, 3.0/9862=14...(5) HE2 LYS 77 - QG2 VAL 78 poor 10 84 - 12 - 6.0/9862=9, 10809/9875=1 HB2 ASN 88 - QG2 VAL 78 lone 6 87 - 7 - ~9858=3, ~9868=2 HE2 LYS 17 - QG2 VAL 78 lone 1 92 - 1 - Peak 9862 from cnoeabs.peaks (4.53, 0.72, 22.14 ppm; 4.78 A): 2 out of 2 assignments used, quality = 0.55: HA LYS 77 + QG2 VAL 78 OK 36 73 - 49 - 3.6/5409=28, 9858/2.1=25...(4) HA ASP 36 + QG2 VAL 78 OK 29 84 - 35 - 3.0/9860=12, 3.0/9861=11...(7) Peak 9863 from cnoeabs.peaks (1.44, 0.61, 21.11 ppm; 3.68 A): 5 out of 19 assignments used, quality = 0.96: HB3 LEU 4 + QG1 VAL 78 OK 59 99 - 60 - 11529=17, 1.8/11529=13...(12) HB2 LEU 4 + QG1 VAL 78 OK 59 99 - 60 - 11529=17, 1.8/11529=13...(12) HG LEU 4 + QG1 VAL 78 OK 40 94 - 42 - 2.9/11529=10...(11) HG12 ILE 7 + QG1 VAL 78 OK 40 70 - 57 - 2.1/11581=19...(11) HG LEU 80 + QG1 VAL 78 OK 36 100 - 36 - 3.0/9864=12, 4.3/9877=10...(7) HB3 LEU 6 - QG1 VAL 78 OK 28 73 - 38 - 3.9/9888=11...(10) HG2 LYS 96 - QG1 VAL 78 lone 5 100 - 5 - 7798/4.0=1, ~11291=1 HB3 LEU 38 - QG1 VAL 78 lone 3 61 - 6 - ~10988=1 HG2 LYS 39 - QG1 VAL 78 lone 3 77 - 3 - HG3 ARG 30 - QG1 VAL 78 lone 3 92 - 3 - HG12 ILE 56 - QG1 VAL 78 lone 2 77 - 3 - HG3 LYS 44 - QG1 VAL 78 lone 2 99 - 2 - HB3 LEU 63 - QG1 VAL 78 lone 2 73 - 2 - HG3 LYS 17 - QG1 VAL 78 lone 1 84 - 1 - HG12 ILE 57 - QG1 VAL 78 lone 1 65 - 2 - HG3 LYS 49 - QG1 VAL 78 lone 1 73 - 1 - HG2 LYS 49 - QG1 VAL 78 lone 1 73 - 1 - HB3 LYS 61 - QG1 VAL 78 lone 1 92 - 1 - HG2 LYS 106 - QG1 VAL 78 lone 1 65 - 1 - Peak 9864 from cnoeabs.peaks (1.28, 0.61, 21.11 ppm; 5.66 A): 1 out of 3 assignments used, quality = 0.78: HB3 LEU 80 + QG1 VAL 78 OK 78 100 - 78 - 9920=34, 3.0/9877=31...(9) HD3 LYS 53 - QG1 VAL 78 poor 7 70 - 10 - 3.0/9866=7, ~10668=1 HG3 LYS 115 - QG1 VAL 78 lone 1 77 - 2 - Peak 9865 from cnoeabs.peaks (0.37, 0.61, 21.11 ppm; 3.56 A): 2 out of 2 assignments used, quality = 0.57: QD2 LEU 68 + QG1 VAL 78 OK 35 87 - 41 - 9768=13, 4.0/9867=10...(9) QD1 ILE 97 + QG1 VAL 78 OK 34 94 - 36 - 9859/2.1=23, 10129/2.1=6...(5) Peak 9866 from cnoeabs.peaks (2.73, 0.61, 21.11 ppm; 6.20 A): 0 out of 5 assignments used, low quality = 0.00: HB2 ASP 60 - QG1 VAL 78 lone 7 98 - 8 - 9641/2.1=3, ~9645=3 HB3 ASN 11 - QG1 VAL 78 lone 7 77 - 9 - 4.4/9886=4, 4.1/7703=3 HE3 LYS 53 - QG1 VAL 78 lone 6 87 - 6 - 3.0/9864=3, ~9470=1 HG3 GLU 37 - QG1 VAL 78 lone 3 100 - 3 - HB3 ASP 109 - QG1 VAL 78 lone 2 100 - 2 - Peak 9867 from cnoeabs.peaks (3.77, 0.61, 21.11 ppm; 5.52 A): 0 out of 2 assignments used, low quality = 0.27: HA LEU 68 - QG1 VAL 78 OK 27 84 - 33 - 4.0/9865=22, 2.9/11022=8...(6) HB2 SER 58 - QG1 VAL 78 lone 3 81 - 4 - Peak 9868 from cnoeabs.peaks (4.55, 0.61, 21.11 ppm; 4.70 A): 3 out of 3 assignments used, quality = 0.86: HA PHE 79 + QG1 VAL 78 OK 65 81 - 81 - 3.0/7703=33, 3.6/9886=21...(11) HA LYS 77 + QG1 VAL 78 OK 52 99 - 52 - 481/4.0=32, 9858/2.1=25 HA ASN 88 + QG1 VAL 78 OK 15 96 - 16 - 10819/4694=8, 9858/2.1=4...(4) Peak 9871 from cnoeabs.peaks (6.71, 1.56, 34.35 ppm; 5.38 A): 3 out of 3 assignments used, quality = 0.95: QE TYR 102 + HB VAL 78 OK 77 90 - 86 - 2.2/9872=33, ~4694=24...(11) QD PHE 79 + HB VAL 78 OK 57 77 - 74 - 4634/3.0=28, 4636/4.4=23...(8) QE TYR 76 + HB VAL 78 OK 46 92 - 50 - ~9874=30, 9873/2.1=13...(5) Peak 9872 from cnoeabs.peaks (6.98, 1.56, 34.35 ppm; 4.53 A): 2 out of 2 assignments used, quality = 0.83: QD TYR 102 + HB VAL 78 OK 75 96 - 79 - 4694/2.1=26, 9875/2.1=19...(13) HZ PHE 79 + HB VAL 78 OK 29 81 - 37 - 9880/2.1=11, 9875/2.1=9...(6) Peak 9873 from cnoeabs.peaks (6.71, 0.72, 22.14 ppm; 4.14 A): 3 out of 3 assignments used, quality = 0.94: QE TYR 102 + QG2 VAL 78 OK 68 98 - 69 - 2.2/9875=21, ~4694=15...(11) QD PHE 79 + QG2 VAL 78 OK 62 92 - 67 - 4634/3.2=23, 4636/4.1=20...(12) QE TYR 76 + QG2 VAL 78 OK 50 99 - 51 - 2.2/9874=25, 4.4/9860=10...(7) Peak 9874 from cnoeabs.peaks (6.85, 0.72, 22.14 ppm; 5.10 A): 1 out of 2 assignments used, quality = 0.59: QD TYR 76 + QG2 VAL 78 OK 59 99 - 60 - 2.5/9860=21, 2.5/9861=20...(10) HE22 GLN 122 - QG2 VAL 78 lone 1 57 - 1 - Peak 9875 from cnoeabs.peaks (6.99, 0.72, 22.14 ppm; 4.59 A): 2 out of 2 assignments used, quality = 0.89: QD TYR 102 + QG2 VAL 78 OK 82 100 - 82 - 4694/2.1=28, 9872/2.1=21...(14) HZ PHE 79 + QG2 VAL 78 OK 39 100 - 39 - 3.8/9873=11, 9872/2.1=8...(7) Peak 9877 from cnoeabs.peaks (5.55, 0.61, 21.11 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.73: HA LEU 80 + QG1 VAL 78 OK 73 100 - 73 - 3.0/9864=37, 3.0/9886=34...(7) Peak 9878 from cnoeabs.peaks (6.72, 0.61, 21.11 ppm; 4.52 A): 2 out of 3 assignments used, quality = 0.95: QD PHE 79 + QG1 VAL 78 OK 82 100 - 82 - 4634/3.2=30, 4636/4.1=27...(14) QE TYR 102 + QG1 VAL 78 OK 73 99 - 74 - 2.2/4694=27, ~9872=18...(11) QE TYR 76 - QG1 VAL 78 OK 39 98 - 40 - ~9874=21, 9873/2.1=9...(5) Peak 9880 from cnoeabs.peaks (6.97, 0.61, 21.11 ppm; 4.48 A): 2 out of 2 assignments used, quality = 0.80: QD TYR 102 + QG1 VAL 78 OK 71 84 - 85 - 9872/2.1=25, 4694=24...(16) HZ PHE 79 + QG1 VAL 78 OK 31 61 - 51 - 3.8/9878=11, 9872/2.1=10...(10) Peak 9884 from cnoeabs.peaks (9.08, 0.72, 22.14 ppm; 5.49 A): 2 out of 2 assignments used, quality = 0.89: H LEU 4 + QG2 VAL 78 OK 86 100 - 86 - 9041/3.2=41, 9033/4.1=27...(11) H LEU 81 + QG2 VAL 78 OK 24 73 - 33 - 9887/2.1=13, 9889/3.2=11...(5) Peak 9886 from cnoeabs.peaks (8.59, 0.61, 21.11 ppm; 4.86 A): 1 out of 5 assignments used, quality = 0.55: H LEU 80 + QG1 VAL 78 OK 55 73 - 74 - 4.7/7703=25, 3.0/9877=22...(9) H ASP 12 - QG1 VAL 78 lone 8 100 - 8 - 4.4/9866=5, 4.6/7703=2 H ALA 124 - QG1 VAL 78 lone 5 73 - 7 - 2.9/10620=3, 10623/4661=1 H ILE 71 - QG1 VAL 78 lone 5 84 - 6 - 2117/9867=4 H THR 108 - QG1 VAL 78 lone 1 61 - 2 - Peak 9887 from cnoeabs.peaks (9.08, 0.61, 21.11 ppm; 6.18 A): 2 out of 2 assignments used, quality = 0.95: H LEU 4 + QG1 VAL 78 OK 89 100 - 89 - 9041/3.2=44, 9884/2.1=36...(11) H LEU 81 + QG1 VAL 78 OK 59 73 - 81 - 3.6/9877=34, 4.2/9864=31...(9) Peak 9888 from cnoeabs.peaks (9.22, 0.61, 21.11 ppm; 5.90 A): 1 out of 1 assignment used, quality = 0.59: H LEU 6 + QG1 VAL 78 OK 59 77 - 77 - 9892/4.1=29...(14) Peak 9889 from cnoeabs.peaks (9.08, 5.17, 60.23 ppm; 4.30 A): 2 out of 2 assignments used, quality = 0.86: * H LEU 4 + HA VAL 78 OK 81 100 - 81 - 9041=45, 9033/3.6=19...(10) H LEU 81 + HA VAL 78 OK 29 65 - 44 - 9887/3.2=6, 4.8/9954=6...(12) Peak 9895 from cnoeabs.peaks (4.85, 1.04, 40.18 ppm; 6.20 A): 2 out of 3 assignments used, quality = 0.69: HA ILE 5 + HB2 PHE 79 OK 47 57 - 82 - 9896/1.8=29...(10) HA ILE 54 + HB2 PHE 79 OK 41 97 - 42 - 9896/1.8=18, ~9492=13...(6) HA ASP 60 - HB2 PHE 79 lone 3 92 - 3 - Peak 9896 from cnoeabs.peaks (4.85, 2.08, 40.18 ppm; 5.26 A): 2 out of 3 assignments used, quality = 0.74: HA ILE 5 + HB3 PHE 79 OK 59 77 - 77 - 3.2/9905=16, 4635/2.4=16...(11) HA ILE 54 + HB3 PHE 79 OK 37 100 - 37 - 9895/1.8=13, ~9492=9...(7) HA ASP 60 - HB3 PHE 79 lone 2 77 - 2 - Peak 9898 from cnoeabs.peaks (4.13, 7.10, 130.23 ppm; 6.20 A): 6 out of 11 assignments used, quality = 0.91: HA ALA 124 + QE PHE 79 OK 78 80 - 97 - 2.1/10629=44...(14) HA LEU 45 + QE PHE 79 OK 31 65 - 48 - 3.0/4655=12, 4.0/9448=12...(6) HA VAL 22 + QE PHE 79 OK 16 98 - 16 - 9005/4658=3, 3.2/4661=2...(7) HA GLN 122 + QE PHE 79 OK 13 97 - 13 - 8307/10623=8, 4639/2.2=1 HA LEU 63 + QE PHE 79 OK 12 97 - 12 - 11253/4659=2...(6) HA ARG 95 + QE PHE 79 OK 10 58 - 18 - ~4663=6, ~4644=4...(4) HA GLU 89 - QE PHE 79 lone 5 69 - 7 - ~10890=1 HA MET 1 - QE PHE 79 lone 3 80 - 4 - HA3 GLY 26 - QE PHE 79 lone 3 96 - 3 - HB2 SER 72 - QE PHE 79 lone 3 90 - 3 - HB3 SER 72 - QE PHE 79 lone 3 90 - 3 - Peak 9902 from cnoeabs.peaks (0.83, 1.04, 40.18 ppm; 5.14 A): 3 out of 9 assignments used, quality = 0.93: QG2 ILE 5 + HB2 PHE 79 OK 78 84 - 93 - 3.0/10740=22...(23) HG13 ILE 5 + HB2 PHE 79 OK 60 65 - 91 - 2.1/10740=24, ~9051=16...(20) QD2 LEU 82 + HB2 PHE 79 OK 25 100 - 25 - 9986/4.5=9, 9982/4.4=6...(6) QD2 LEU 74 - HB2 PHE 79 OK 25 94 - 27 - ~9818=11, 9907/2.4=5...(5) QD1 LEU 74 - HB2 PHE 79 OK 23 90 - 25 - 9818/2.4=14, ~9907=5...(5) QG2 ILE 71 - HB2 PHE 79 OK 12 90 - 13 - 9799/2.4=3, ~9801=2...(5) QD1 LEU 64 - HB2 PHE 79 OK 11 81 - 14 - 9907/2.4=5, ~9904=2...(6) QG2 ILE 15 - HB2 PHE 79 poor 10 61 - 16 - 9050/2.4=3, 9905/1.8=2...(8) QG2 ILE 57 - HB2 PHE 79 lone 6 87 - 7 - 9905/1.8=1 Peak 9903 from cnoeabs.peaks (0.61, 1.04, 40.18 ppm; 6.20 A): 2 out of 3 assignments used, quality = 0.98: QG1 VAL 78 + HB2 PHE 79 OK 91 99 - 92 - 7703/4.0=38, ~4634=32...(12) QD1 ILE 5 + HB2 PHE 79 OK 79 84 - 94 - ~9053=23, ~9051=21...(20) QD1 ILE 18 - HB2 PHE 79 OK 15 100 - 15 - 9906/1.8=3, 9908/2.4=2...(6) Peak 9904 from cnoeabs.peaks (1.80, 2.08, 40.18 ppm; 6.20 A): 2 out of 9 assignments used, quality = 0.98: HG12 ILE 5 + HB3 PHE 79 OK 93 97 - 96 - ~10740=29, 9051/2.4=26...(16) HB ILE 3 + HB3 PHE 79 OK 72 98 - 73 - ~4662=41, ~9018=25...(5) HB ILE 97 - HB3 PHE 79 OK 36 96 - 37 - ~10150=13, ~10139=10...(5) HB2 LEU 64 - HB3 PHE 79 OK 32 90 - 36 - 9689/4.4=24, ~9907=5...(5) HB3 GLN 28 - HB3 PHE 79 lone 6 70 - 9 - 9233/9896=3, 4.0/1180=2 HG2 ARG 105 - HB3 PHE 79 lone 5 99 - 5 - 4645/2.4=1, 10252/4729=1 HB2 ARG 118 - HB3 PHE 79 lone 5 100 - 5 - 3.0/8285=1, 4.2/1783=1 HB3 ARG 105 - HB3 PHE 79 lone 3 73 - 4 - HB2 LYS 19 - HB3 PHE 79 lone 3 87 - 3 - Peak 9905 from cnoeabs.peaks (0.84, 2.08, 40.18 ppm; 4.60 A): 2 out of 6 assignments used, quality = 0.98: QG2 ILE 5 + HB3 PHE 79 OK 89 100 - 89 - 4647/2.4=17, ~10740=16...(25) HG13 ILE 5 + HB3 PHE 79 OK 84 97 - 86 - ~10740=19, 9053/2.4=19...(21) QG2 ILE 15 - HB3 PHE 79 OK 15 96 - 15 - 9050/2.4=3, ~11380=2...(9) QD2 LEU 82 - HB3 PHE 79 OK 15 81 - 18 - 9986/4.5=5, 9982/4.4=4...(6) QG2 VAL 22 - HB3 PHE 79 lone 7 77 - 9 - 4647/2.4=2, ~4649=1 QG2 ILE 57 - HB3 PHE 79 lone 7 100 - 7 - 4647/2.4=1 Peak 9906 from cnoeabs.peaks (0.62, 2.08, 40.18 ppm; 5.94 A): 2 out of 5 assignments used, quality = 0.99: QD1 ILE 5 + HB3 PHE 79 OK 94 97 - 97 - 10740/1.8=30, ~9053=22...(21) QG1 VAL 78 + HB3 PHE 79 OK 91 100 - 91 - 7703/4.0=37, ~4634=30...(12) QD1 ILE 54 - HB3 PHE 79 OK 34 65 - 52 - 4.2/9896=13, ~9492=12...(11) QD1 ILE 18 - HB3 PHE 79 OK 18 99 - 18 - 9903/1.8=3, 9908/2.4=3...(7) HG13 ILE 15 - HB3 PHE 79 OK 13 61 - 21 - 4649/2.4=3, ~9050=3...(8) Peak 9907 from cnoeabs.peaks (0.82, 6.72, 131.81 ppm; 6.20 A): 4 out of 7 assignments used, quality = 0.97: QD1 LEU 74 + QD PHE 79 OK 67 100 - 67 - ~4657=36, 9818=17...(10) QD2 LEU 74 + QD PHE 79 OK 66 100 - 66 - ~4657=36, 2.1/9818=17...(10) QD1 LEU 64 + QD PHE 79 OK 57 99 - 57 - ~9689=25, ~9691=13...(11) QD2 LEU 82 + QD PHE 79 OK 41 97 - 42 - 9986/4.6=12, 9982/2.2=10...(9) QG2 ILE 71 - QD PHE 79 OK 23 100 - 23 - 3.3/9801=3, 9775/9750=3...(9) QD1 LEU 114 - QD PHE 79 poor 9 84 - 11 - ~9691=2, 9911/2.2=2...(4) QG1 VAL 29 - QD PHE 79 poor 8 65 - 12 - 2.1/4644=5, 2.1/10244=3 Peak 9908 from cnoeabs.peaks (0.62, 6.72, 131.81 ppm; 6.20 A): 3 out of 6 assignments used, quality = 1.00: QD1 ILE 5 + QD PHE 79 OK 97 100 - 97 - 10740/2.4=31...(25) QG1 VAL 78 + QD PHE 79 OK 92 97 - 95 - 3.2/4634=45, 4.1/4636=41...(17) QD1 ILE 54 + QD PHE 79 OK 47 84 - 55 - 3.1/9492=18, 10740/2.4=8...(12) HG13 ILE 15 - QD PHE 79 OK 26 81 - 32 - 4661/2.2=4, 3.2/4647=4...(14) QD1 ILE 18 - QD PHE 79 OK 23 94 - 24 - 11352/4640=3, 9906/2.4=3...(10) QG1 VAL 22 - QD PHE 79 OK 17 73 - 23 - 10868/4640=3, 2.1/4647=3...(11) Peak 9910 from cnoeabs.peaks (0.95, 7.10, 130.23 ppm; 6.20 A): 2 out of 6 assignments used, quality = 0.71: QD1 ILE 3 + QE PHE 79 OK 67 69 - 97 - 3.0/4658=44, 2.1/9024=39...(20) HD3 LYS 2 + QE PHE 79 OK 11 94 - 11 - 2.9/11382=4, ~4662=2, ~4666=2 QD1 LEU 38 - QE PHE 79 lone 9 90 - 10 - 2.1/9912=2, ~4646=1 HG3 LYS 53 - QE PHE 79 poor 8 62 - 13 - 1.8/9471=7, ~4662=2, 3.0/4655=1 HG13 ILE 56 - QE PHE 79 lone 4 96 - 4 - HG13 ILE 116 - QE PHE 79 lone 2 65 - 4 - Peak 9911 from cnoeabs.peaks (0.81, 7.10, 130.23 ppm; 6.20 A): 3 out of 8 assignments used, quality = 0.93: QD1 LEU 64 + QE PHE 79 OK 59 94 - 63 - 3.1/9689=30, 2.1/9691=16...(8) QD1 LEU 74 + QE PHE 79 OK 58 88 - 66 - 3.1/4657=47, 9818/2.2=16...(5) QD2 LEU 74 + QE PHE 79 OK 56 83 - 68 - 3.1/4657=47, ~9818=15...(5) QD2 LEU 82 - QE PHE 79 OK 17 62 - 27 - 2.1/4654=5, 9907/2.2=5...(8) QG2 ILE 71 - QE PHE 79 OK 15 88 - 17 - 9799/2.2=4, ~9801=4...(5) QG1 VAL 29 - QE PHE 79 OK 15 94 - 16 - ~4644=4, ~4663=4...(4) QD1 LEU 114 - QE PHE 79 OK 12 98 - 12 - 2.1/9691=2, 3.1/4653=2...(4) QD1 LEU 81 - QE PHE 79 lone 6 62 - 9 - 11606/11054=2, 3.1/4656=1 Peak 9912 from cnoeabs.peaks (1.52, 7.10, 130.23 ppm; 4.82 A): 3 out of 11 assignments used, quality = 0.79: QB ALA 124 + QE PHE 79 OK 70 76 - 91 - 2.1/10625=33, 10629=32...(12) HG LEU 6 + QE PHE 79 OK 19 98 - 19 - 4646/2.2=6, ~4646=3...(7) HB2 LEU 6 + QE PHE 79 OK 15 88 - 17 - 4646/2.2=5, ~4646=3...(6) HD3 LYS 17 - QE PHE 79 lone 7 98 - 7 - 4646/2.2=2 HG LEU 38 - QE PHE 79 lone 6 97 - 6 - 2.1/9910=2, 4646/2.2=1 HB3 ARG 30 - QE PHE 79 lone 5 97 - 5 - 4646/2.2=1 HG2 LYS 43 - QE PHE 79 lone 4 96 - 4 - 1.8/4656=1 HB2 LYS 61 - QE PHE 79 lone 4 98 - 4 - HD3 LYS 94 - QE PHE 79 lone 2 58 - 3 - 3.0/4656=1 HD2 LYS 94 - QE PHE 79 lone 2 58 - 3 - 3.0/4656=1 HG2 LYS 20 - QE PHE 79 lone 2 83 - 2 - Peak 9914 from cnoeabs.peaks (1.72, 7.10, 130.23 ppm; 6.20 A): 3 out of 12 assignments used, quality = 0.84: HG3 LYS 123 + QE PHE 79 OK 58 65 - 88 - 2.9/11210=44...(7) HG LEU 74 + QE PHE 79 OK 55 83 - 67 - 3.0/4657=47, ~9818=15...(5) HG12 ILE 15 + QE PHE 79 OK 17 85 - 20 - 1.8/4661=4, ~9050=4...(7) HG3 LYS 39 - QE PHE 79 poor 9 65 - 14 - ~4663=4, ~4644=3...(4) HG2 ARG 118 - QE PHE 79 lone 6 76 - 8 - 11024/11054=2, 1.8/4655=1 HD2 LYS 39 - QE PHE 79 lone 5 88 - 6 - 3.5/4651=2 HD3 LYS 39 - QE PHE 79 lone 5 85 - 6 - 3.5/4651=2 HB3 LEU 90 - QE PHE 79 lone 3 94 - 3 - HD3 LYS 44 - QE PHE 79 lone 3 80 - 3 - HD2 LYS 44 - QE PHE 79 lone 2 73 - 3 - HB3 LYS 106 - QE PHE 79 lone 2 98 - 2 - HB2 LYS 106 - QE PHE 79 lone 2 98 - 2 - Peak 9915 from cnoeabs.peaks (1.84, 7.10, 130.23 ppm; 4.95 A): 4 out of 8 assignments used, quality = 0.99: HD2 LYS 123 + QE PHE 79 OK 80 98 - 82 - 11210=47, 1.8/11207=38...(8) HB2 LYS 77 + QE PHE 79 OK 70 98 - 71 - 4.7/10808=21...(9) HB3 LYS 77 + QE PHE 79 OK 69 97 - 71 - 4.7/10808=21...(9) HG LEU 127 + QE PHE 79 OK 68 80 - 85 - 2.1/10830=38, ~10831=26...(10) HG LEU 70 - QE PHE 79 lone 5 97 - 5 - 10114/10153=1 HB3 LYS 19 - QE PHE 79 lone 4 85 - 5 - QE MET 121 - QE PHE 79 lone 4 73 - 5 - 7023/4.4=1, 10602/4661=1 HB2 ARG 105 - QE PHE 79 lone 3 83 - 4 - Peak 9917 from cnoeabs.peaks (1.93, 5.55, 54.00 ppm; 5.41 A): 7 out of 18 assignments used, quality = 0.93: HB VAL 104 + HA LEU 80 OK 67 73 - 92 - ~9926=25, ~10815=24...(14) HB2 LEU 81 + HA LEU 80 OK 54 90 - 60 - 3.8/504=46, 9943/3.0=9...(7) HB3 LYS 17 + HA LEU 80 OK 26 96 - 27 - 11475/3.9=10...(6) HB3 LYS 65 + HA LEU 80 OK 12 100 - 12 - 9918/3.0=2, 1536/3.6=2...(5) HB2 LYS 39 + HA LEU 80 OK 12 99 - 12 - ~10969=2, 2.9/5471=2...(4) HB2 LYS 65 + HA LEU 80 OK 11 99 - 11 - 9918/3.0=2, ~9918=2...(5) HB2 LYS 115 + HA LEU 80 OK 11 100 - 11 - ~10969=2, ~9918=2...(6) HB3 LYS 115 - HA LEU 80 lone 9 99 - 9 - 9918/3.0=2, ~9918=1...(6) HB3 LYS 39 - HA LEU 80 lone 6 65 - 9 - 2.9/5471=2, ~9918=2...(4) HB ILE 15 - HA LEU 80 lone 5 77 - 6 - ~9916=2, ~9172=1 HB2 LYS 123 - HA LEU 80 lone 4 99 - 4 - HB3 LYS 123 - HA LEU 80 lone 3 73 - 5 - HB2 LEU 70 - HA LEU 80 lone 3 87 - 3 - HG2 MET 121 - HA LEU 80 lone 2 84 - 3 - HB2 LEU 127 - HA LEU 80 lone 2 100 - 2 - HB3 GLU 41 - HA LEU 80 lone 1 61 - 2 - HB3 LYS 40 - HA LEU 80 lone 1 77 - 2 - HB2 LYS 44 - HA LEU 80 lone 1 61 - 2 - Peak 9918 from cnoeabs.peaks (1.94, 1.75, 45.67 ppm; 5.47 A): 1 out of 18 assignments used, quality = 0.98: HB VAL 104 + HB2 LEU 80 OK 98 99 - 99 - 3.0/10815=43...(22) HB3 LYS 17 - HB2 LEU 80 OK 18 61 - 29 - 11475/3.1=6, 11475/3.1=6...(9) HB3 LYS 115 - HB2 LEU 80 OK 17 97 - 17 - ~10452=4, 10969/1.8=3...(6) HB2 LYS 65 - HB2 LEU 80 OK 16 97 - 16 - ~10805=3, 10969/1.8=2...(6) HB3 LYS 65 - HB2 LEU 80 OK 16 96 - 17 - ~10805=3, 10969/1.8=2...(6) HB2 LYS 39 - HB2 LEU 80 OK 15 97 - 15 - ~11039=4, ~10969=2...(4) HB2 LYS 115 - HB2 LEU 80 OK 14 84 - 17 - ~10452=4, ~10969=3...(7) HB3 LYS 39 - HB2 LEU 80 OK 14 97 - 14 - ~11039=4, 10969/1.8=3...(4) HB VAL 29 - HB2 LEU 80 OK 13 87 - 14 - 2.1/11383=3, 10969/1.8=3...(6) HB2 LYS 123 - HB2 LEU 80 lone 7 97 - 8 - 3.7/1815=1 HB3 MET 42 - HB2 LEU 80 lone 6 94 - 6 - ~11694=2, 10969/1.8=1 HB2 LEU 70 - HB2 LEU 80 lone 4 100 - 4 - HB2 LEU 127 - HB2 LEU 80 lone 3 96 - 3 - HB3 GLU 128 - HB2 LEU 80 lone 3 84 - 3 - HB3 GLU 41 - HB2 LEU 80 lone 3 96 - 3 - HB2 GLU 41 - HB2 LEU 80 lone 3 94 - 3 - HB3 LYS 40 - HB2 LEU 80 lone 2 99 - 2 - HB3 GLU 52 - HB2 LEU 80 lone 1 90 - 2 - Peak 9919 from cnoeabs.peaks (0.37, 1.75, 45.67 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.92: QD1 ILE 97 + HB2 LEU 80 OK 81 99 - 81 - 9924/3.1=39, 9923/3.1=29...(9) QD2 LEU 68 + HB2 LEU 80 OK 59 70 - 85 - ~9922=39, ~9925=38...(9) Peak 9920 from cnoeabs.peaks (0.60, 1.29, 45.67 ppm; 5.21 A): 1 out of 2 assignments used, quality = 0.47: QG1 VAL 78 + HB3 LEU 80 OK 47 77 - 62 - 9864=24, 9877/3.0=18...(9) QD1 ILE 18 - HB3 LEU 80 lone 1 84 - 1 - Peak 9921 from cnoeabs.peaks (0.38, 1.29, 45.67 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.82: QD2 LEU 68 + HB3 LEU 80 OK 82 100 - 82 - ~9922=39, ~9925=38...(8) Peak 9922 from cnoeabs.peaks (0.50, 0.78, 27.66 ppm; 3.83 A): 1 out of 1 assignment used, quality = 0.60: QD1 LEU 68 + QD2 LEU 80 OK 60 99 - 60 - 2.1/9923=17...(12) Peak 9923 from cnoeabs.peaks (0.37, 0.78, 27.66 ppm; 3.41 A): 2 out of 2 assignments used, quality = 0.75: QD1 ILE 97 + QD2 LEU 80 OK 58 99 - 58 - 9924/2.1=22, 10132=15...(16) QD2 LEU 68 + QD2 LEU 80 OK 42 70 - 60 - 2.1/9922=28, ~9925=15...(11) Peak 9924 from cnoeabs.peaks (0.36, 0.78, 25.50 ppm; 3.86 A): 1 out of 1 assignment used, quality = 0.60: QD1 ILE 97 + QD1 LEU 80 OK 60 97 - 62 - 9923/2.1=18, 10132=13...(17) Peak 9925 from cnoeabs.peaks (0.52, 0.78, 25.50 ppm; 4.12 A): 0 out of 1 assignment used, low quality = 0.41: QD1 LEU 68 - QD1 LEU 80 OK 41 70 - 59 - ~9923=11, ~9921=11...(12) Peak 9928 from cnoeabs.peaks (5.24, 5.58, 53.87 ppm; 5.51 A): 0 out of 2 assignments used, low quality = 0.34: HA GLN 83 - HA LYS 106 OK 27 73 - 36 - 9990/3.6=23...(6) HA VAL 104 - HA LYS 106 OK 10 73 - 14 - ~10279=5, 3.2/10282=3...(5) Peak 9929 from cnoeabs.peaks (5.24, 1.29, 45.67 ppm; 4.73 A): 1 out of 1 assignment used, quality = 0.87: HA VAL 104 + HB3 LEU 80 OK 87 90 - 97 - 10815/1.8=38...(19) Peak 9930 from cnoeabs.peaks (5.24, 0.78, 27.66 ppm; 4.90 A): 1 out of 1 assignment used, quality = 0.88: HA VAL 104 + QD2 LEU 80 OK 88 90 - 98 - 11605/2.1=38...(21) Peak 9933 from cnoeabs.peaks (7.01, 0.78, 27.66 ppm; 6.20 A): 0 out of 4 assignments used, low quality = 0.31: HZ PHE 120 - QD2 LEU 80 OK 31 99 - 32 - 2.2/9934=21...(5) HE22 GLN 28 - QD2 LEU 80 lone 3 100 - 3 - HD22 ASN 33 - QD2 LEU 80 lone 3 98 - 3 - HD22 ASN 88 - QD2 LEU 80 lone 2 81 - 2 - Peak 9934 from cnoeabs.peaks (7.14, 0.78, 27.66 ppm; 4.97 A): 2 out of 2 assignments used, quality = 0.74: QE PHE 93 + QD2 LEU 80 OK 55 94 - 59 - 2.2/9938=30, 9942/5.0=8...(12) QE PHE 120 + QD2 LEU 80 OK 42 96 - 44 - 4738/5.0=22, 2.2/9933=20...(7) Peak 9935 from cnoeabs.peaks (6.99, 0.78, 25.50 ppm; 5.16 A): 2 out of 2 assignments used, quality = 0.78: QD TYR 102 + QD1 LEU 80 OK 75 100 - 75 - 2.5/11694=30...(12) HZ PHE 79 + QD1 LEU 80 OK 13 100 - 13 - 10140/9924=6...(4) Peak 9938 from cnoeabs.peaks (7.21, 0.78, 27.66 ppm; 5.32 A): 1 out of 3 assignments used, quality = 0.60: QD PHE 93 + QD2 LEU 80 OK 60 98 - 61 - 2.2/9934=24, 10092=9...(12) HE21 GLN 83 - QD2 LEU 80 lone 4 81 - 5 - 6.9/523=1 HE22 GLN 83 - QD2 LEU 80 lone 4 77 - 5 - 6.9/523=1 Peak 9939 from cnoeabs.peaks (9.23, 5.55, 54.00 ppm; 4.45 A): 1 out of 1 assignment used, quality = 0.83: * H LEU 6 + HA LEU 80 OK 83 99 - 83 - 9065=50, 9941/3.6=23...(8) Peak 9940 from cnoeabs.peaks (9.22, 0.78, 25.50 ppm; 5.65 A): 1 out of 1 assignment used, quality = 0.57: H LEU 6 + QD1 LEU 80 OK 57 77 - 74 - 9941/5.0=31, 9939/3.9=31...(11) Peak 9943 from cnoeabs.peaks (8.61, 1.92, 45.78 ppm; 6.20 A): 3 out of 7 assignments used, quality = 0.66: H LEU 80 + HB2 LEU 81 OK 40 90 - 44 - 4.7/1536=29, 3.0/9917=9...(6) H THR 108 + HB2 LEU 81 OK 32 96 - 34 - 4.2/11459=17...(4) H LYS 94 + HB2 LEU 81 OK 16 98 - 17 - 10100/3.1=4, 1621/1.8=3...(6) H GLN 85 - HB2 LEU 81 lone 4 99 - 4 - H LYS 49 - HB2 LEU 81 lone 4 99 - 4 - H ALA 124 - HB2 LEU 81 lone 4 90 - 4 - H ILE 71 - HB2 LEU 81 lone 2 81 - 2 - Peak 9944 from cnoeabs.peaks (7.13, 1.92, 45.78 ppm; 4.67 A): 2 out of 3 assignments used, quality = 0.98: QE PHE 120 + HB2 LEU 81 OK 95 100 - 95 - 4739/3.0=32, 4738/3.8=24...(16) QE PHE 93 + HB2 LEU 81 OK 60 100 - 60 - 11603/3.1=14...(11) QD PHE 51 - HB2 LEU 81 lone 8 90 - 9 - 11385/3.0=2, 9945/1.8=2...(5) Peak 9945 from cnoeabs.peaks (7.12, 1.36, 45.78 ppm; 4.57 A): 2 out of 3 assignments used, quality = 0.65: QE PHE 120 + HB3 LEU 81 OK 52 61 - 85 - ~4711=19, 2.2/11295=18...(16) QE PHE 93 + HB3 LEU 81 OK 28 65 - 42 - 4676=9, 11385/3.0=8...(9) QD PHE 51 - HB3 LEU 81 lone 7 98 - 7 - 11385/3.0=2, 9084/9074=1 Peak 9946 from cnoeabs.peaks (7.01, 1.36, 45.78 ppm; 6.20 A): 1 out of 5 assignments used, quality = 0.93: HZ PHE 120 + HB3 LEU 81 OK 93 94 - 98 - 4711/3.0=40, ~4739=34...(16) HE22 GLN 28 - HB3 LEU 81 lone 4 100 - 4 - 11631/3.0=2 HZ PHE 79 - HB3 LEU 81 lone 4 57 - 7 - 11631/3.0=2 HD22 ASN 33 - HB3 LEU 81 lone 3 92 - 3 - 11631/3.0=1 HD22 ASN 88 - HB3 LEU 81 lone 1 65 - 2 - Peak 9947 from cnoeabs.peaks (8.11, 0.71, 25.86 ppm; 4.68 A): 3 out of 5 assignments used, quality = 0.78: H VAL 117 + QD2 LEU 81 OK 57 81 - 71 - 4.3/9959=28...(9) H ALA 113 + QD2 LEU 81 OK 40 90 - 45 - 11601/2.1=12, 3.0/9956=9...(12) H PHE 93 + QD2 LEU 81 OK 16 99 - 16 - 11601/2.1=6, 6.5/9949=5 H SER 99 - QD2 LEU 81 lone 2 96 - 2 - H GLU 92 - QD2 LEU 81 lone 1 61 - 2 - 4.0/11635=1 Peak 9948 from cnoeabs.peaks (7.99, 0.71, 25.86 ppm; 6.01 A): 1 out of 1 assignment used, quality = 0.55: H ILE 116 + QD2 LEU 81 OK 55 70 - 79 - 4.0/9959=44...(11) Peak 9949 from cnoeabs.peaks (7.13, 0.71, 25.86 ppm; 5.27 A): 2 out of 3 assignments used, quality = 0.98: QE PHE 120 + QD2 LEU 81 OK 95 100 - 95 - 4739/3.9=33...(14) QE PHE 93 + QD2 LEU 81 OK 68 100 - 68 - 11603/2.1=18...(12) QD PHE 51 - QD2 LEU 81 lone 9 90 - 10 - 11385/2.1=3, 9944/3.1=2...(4) Peak 9952 from cnoeabs.peaks (5.18, 1.92, 45.78 ppm; 5.01 A): 2 out of 2 assignments used, quality = 0.94: HA ILE 7 + HB2 LEU 81 OK 91 100 - 91 - 11616=34, 9953/1.8=28...(13) HA VAL 78 + HB2 LEU 81 OK 28 65 - 42 - 9953/1.8=12, 9951/3.8=10...(7) Peak 9953 from cnoeabs.peaks (5.18, 1.36, 45.78 ppm; 4.96 A): 2 out of 2 assignments used, quality = 0.95: HA ILE 7 + HB3 LEU 81 OK 92 100 - 92 - 11616/1.8=32...(14) HA VAL 78 + HB3 LEU 81 OK 40 84 - 47 - 9951/3.8=10, 9955/3.1=10...(9) Peak 9954 from cnoeabs.peaks (5.17, 0.79, 24.93 ppm; 5.25 A): 2 out of 2 assignments used, quality = 0.83: HA ILE 7 + QD1 LEU 81 OK 71 84 - 85 - 9955/2.1=23...(11) HA VAL 78 + QD1 LEU 81 OK 42 100 - 42 - 9955/2.1=13, 11386/2.1=9...(8) Peak 9955 from cnoeabs.peaks (5.17, 0.71, 25.86 ppm; 5.44 A): 2 out of 2 assignments used, quality = 0.92: HA ILE 7 + QD2 LEU 81 OK 86 96 - 90 - 11616/3.1=28...(11) HA VAL 78 + QD2 LEU 81 OK 48 97 - 49 - 9954/2.1=15, 9953/3.1=11...(8) Peak 9956 from cnoeabs.peaks (3.79, 0.71, 25.86 ppm; 3.92 A): 5 out of 5 assignments used, quality = 0.80: HA LYS 65 + QD2 LEU 81 OK 41 99 - 42 - 11606/2.1=11, 4798/2.1=8...(13) HA ALA 113 + QD2 LEU 81 OK 30 90 - 33 - 3.0/9947=8, 11606/2.1=8...(9) HA LYS 115 + QD2 LEU 81 OK 30 90 - 33 - 3.6/9948=13, 11606/2.1=7...(11) HA LEU 68 + QD2 LEU 81 OK 18 92 - 19 - 11606/2.1=9, 4.0/9766=6 HB2 SER 58 + QD2 LEU 81 OK 16 94 - 17 - 11606/2.1=4, 4.0/351=3...(6) Peak 9958 from cnoeabs.peaks (0.04, 0.79, 24.93 ppm; 3.11 A): 1 out of 1 assignment used, quality = 0.69: QG2 ILE 116 + QD1 LEU 81 OK 69 97 - 71 - 9959/2.1=20...(18) Peak 9959 from cnoeabs.peaks (0.04, 0.71, 25.86 ppm; 4.09 A): 1 out of 1 assignment used, quality = 0.89: QG2 ILE 116 + QD2 LEU 81 OK 89 100 - 89 - 9958/2.1=45...(20) Peak 9960 from cnoeabs.peaks (0.02, 1.36, 45.78 ppm; 6.20 A): 0 out of 0 assignments used, low quality = 0.00: Peak 9961 from cnoeabs.peaks (0.04, 1.92, 45.78 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.98: QG2 ILE 116 + HB2 LEU 81 OK 98 100 - 98 - 9958/3.1=49, 9959/3.1=49...(20) Peak 9964 from cnoeabs.peaks (1.43, 1.62, 44.22 ppm; 4.81 A): 3 out of 10 assignments used, quality = 0.55: HG3 LYS 17 + HB2 LEU 82 OK 27 100 - 27 - 11395/3.1=7, ~11475=6...(9) HG LEU 80 + HB2 LEU 82 OK 21 92 - 23 - 11395/3.1=9, 2.1/11093=6...(5) HB3 GLN 83 + HB2 LEU 82 OK 21 90 - 23 - 4.0/519=22 HB3 LEU 63 - HB2 LEU 82 lone 8 99 - 8 - 1551/4.5=2, 4.0/1412=1 HB3 LYS 61 - HB2 LEU 82 lone 6 100 - 6 - 11395/3.1=1, 3.0/8099=1 HB3 LEU 4 - HB2 LEU 82 lone 3 98 - 3 - HB2 LEU 4 - HB2 LEU 82 lone 3 98 - 3 - HG12 ILE 56 - HB2 LEU 82 lone 3 99 - 3 - HG3 LYS 44 - HB2 LEU 82 lone 2 97 - 2 - HG2 LYS 96 - HB2 LEU 82 lone 2 94 - 2 - Peak 9965 from cnoeabs.peaks (0.89, 1.74, 44.22 ppm; 4.33 A): 3 out of 7 assignments used, quality = 0.83: QD2 LEU 90 + HB3 LEU 82 OK 53 97 - 55 - 9967/1.8=17, ~10973=14...(9) QD1 LEU 90 + HB3 LEU 82 OK 44 81 - 54 - 10973/3.0=15, ~9967=12...(9) QG2 VAL 104 + HB3 LEU 82 OK 38 99 - 38 - 9967/1.8=11, 9968/4.0=7...(10) QD2 LEU 38 - HB3 LEU 82 lone 5 100 - 5 - 9967/1.8=2, 9968/4.0=1 QG2 VAL 29 - HB3 LEU 82 lone 3 97 - 3 - QD2 LEU 70 - HB3 LEU 82 lone 2 81 - 3 - QD1 LEU 70 - HB3 LEU 82 lone 2 70 - 3 - Peak 9966 from cnoeabs.peaks (1.39, 1.74, 44.22 ppm; 6.20 A): 2 out of 7 assignments used, quality = 0.62: HG3 LYS 106 + HB3 LEU 82 OK 50 94 - 54 - 3.9/9976=38, 10289/3.1=6...(7) HB3 LEU 68 + HB3 LEU 82 OK 24 87 - 27 - ~11397=7, ~11396=6...(8) QB ALA 113 - HB3 LEU 82 poor 7 70 - 10 - ~8252=2, 2.9/10430=1, 3.7/1744=1 HG3 LYS 16 - HB3 LEU 82 lone 7 100 - 7 - 5.0/79=2 HB3 LEU 114 - HB3 LEU 82 lone 6 99 - 6 - 3.9/1744=1 HG LEU 14 - HB3 LEU 82 lone 3 77 - 4 - HG2 LYS 40 - HB3 LEU 82 lone 2 81 - 3 - Peak 9967 from cnoeabs.peaks (0.88, 1.62, 44.22 ppm; 4.15 A): 4 out of 7 assignments used, quality = 0.74: QD2 LEU 90 + HB2 LEU 82 OK 50 100 - 50 - ~10973=13, 9965/1.8=12...(8) QG2 VAL 104 + HB2 LEU 82 OK 32 100 - 32 - 9965/1.8=9, 9968/4.0=6...(10) QG2 VAL 117 + HB2 LEU 82 OK 13 65 - 21 - ~11492=10, 10521=4...(6) QG2 VAL 107 + HB2 LEU 82 OK 10 77 - 14 - 2.1/11186=6...(3) QD2 LEU 38 - HB2 LEU 82 lone 5 98 - 5 - 9965/1.8=1, 9968/4.0=1 QG2 VAL 29 - HB2 LEU 82 lone 2 84 - 2 - QG1 VAL 32 - HB2 LEU 82 lone 2 73 - 3 - Peak 9970 from cnoeabs.peaks (2.26, 0.82, 23.86 ppm; 3.92 A): 1 out of 10 assignments used, quality = 0.48: HB3 ASN 8 + QD2 LEU 82 OK 48 77 - 63 - 1.8/9971=34, 3.0/9980=13...(11) HG2 GLU 103 - QD2 LEU 82 lone 1 100 - 1 - HG3 GLU 92 - QD2 LEU 82 lone 1 97 - 1 - HG3 GLU 111 - QD2 LEU 82 lone 1 90 - 1 - HG2 GLU 89 - QD2 LEU 82 lone 1 99 - 1 - HB2 GLU 37 - QD2 LEU 82 lone 1 90 - 1 - HG2 GLN 28 - QD2 LEU 82 lone 1 61 - 1 - HG2 GLU 69 - QD2 LEU 82 lone 0 77 - 1 - HB3 GLN 122 - QD2 LEU 82 lone 0 70 - 0 - HB2 GLN 122 - QD2 LEU 82 lone 0 70 - 0 - Peak 9971 from cnoeabs.peaks (2.88, 0.82, 23.86 ppm; 3.64 A): 2 out of 4 assignments used, quality = 0.64: HB2 ASN 8 + QD2 LEU 82 OK 60 98 - 62 - 1.8/9970=30, 9101/2.1=13...(10) HE3 LYS 17 + QD2 LEU 82 OK 10 77 - 13 - 3.8/11395=5, 2.9/11480=3...(4) HE3 LYS 2 - QD2 LEU 82 lone 1 99 - 1 - HB3 ASN 59 - QD2 LEU 82 lone 1 77 - 1 - Peak 9975 from cnoeabs.peaks (5.58, 1.62, 44.22 ppm; 5.88 A): 1 out of 1 assignment used, quality = 0.82: HA LYS 106 + HB2 LEU 82 OK 82 100 - 82 - 9974/4.0=44, 9976/1.8=44...(10) Peak 9976 from cnoeabs.peaks (5.57, 1.74, 44.22 ppm; 5.40 A): 1 out of 1 assignment used, quality = 0.73: HA LYS 106 + HB3 LEU 82 OK 73 96 - 77 - 9974/4.0=38, 9975/1.8=34...(10) Peak 9977 from cnoeabs.peaks (5.55, 0.82, 23.86 ppm; 6.20 A): 0 out of 1 assignment used, low quality = 0.35: HA LEU 80 - QD2 LEU 82 OK 35 99 - 36 - 3.0/9986=15...(5) Peak 9980 from cnoeabs.peaks (5.90, 0.82, 23.86 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.84: HA ASN 8 + QD2 LEU 82 OK 84 98 - 86 - 3.0/9970=45, 3.0/9971=41...(9) Peak 9981 from cnoeabs.peaks (7.16, 0.82, 23.86 ppm; 3.93 A): 2 out of 2 assignments used, quality = 0.49: QE PHE 93 + QD2 LEU 82 OK 43 57 - 75 - 2.2/9983=30, 2.2/9982=20...(12) QE PHE 120 + QD2 LEU 82 OK 11 61 - 17 - 11604/2.1=6, 2.2/10568=3...(7) Peak 9982 from cnoeabs.peaks (7.08, 0.82, 23.86 ppm; 4.80 A): 2 out of 2 assignments used, quality = 0.81: HZ PHE 93 + QD2 LEU 82 OK 76 100 - 76 - 2.2/9981=36, 3.8/9983=32...(7) QE PHE 79 + QD2 LEU 82 OK 20 87 - 23 - 10141/11396=4...(9) Peak 9983 from cnoeabs.peaks (7.22, 0.82, 23.86 ppm; 4.31 A): 1 out of 1 assignment used, quality = 0.77: QD PHE 93 + QD2 LEU 82 OK 77 100 - 77 - 2.2/9981=32...(9) Peak 9986 from cnoeabs.peaks (8.61, 0.82, 23.86 ppm; 5.07 A): 2 out of 7 assignments used, quality = 0.78: H LYS 94 + QD2 LEU 82 OK 64 98 - 65 - 4.4/9983=31, ~11491=26...(5) H LEU 80 + QD2 LEU 82 OK 38 90 - 43 - 3.0/9977=25, 5.3/11395=8...(9) H ALA 124 - QD2 LEU 82 lone 3 90 - 3 - H ILE 71 - QD2 LEU 82 lone 2 81 - 3 - 5.0/5107=1 H THR 108 - QD2 LEU 82 lone 2 96 - 2 - H GLN 85 - QD2 LEU 82 lone 2 99 - 2 - H LYS 49 - QD2 LEU 82 lone 2 99 - 2 - Peak 9990 from cnoeabs.peaks (8.55, 5.26, 54.59 ppm; 4.55 A): 1 out of 2 assignments used, quality = 0.66: * H VAL 107 + HA GLN 83 OK 66 100 - 66 - 10302=30, 4.0/10305=17...(9) H ILE 57 - HA GLN 83 lone 8 81 - 9 - 9576/3.0=4, ~518=2 Peak 9991 from cnoeabs.peaks (4.75, 2.21, 29.87 ppm; 5.25 A): 2 out of 4 assignments used, quality = 0.92: HA THR 9 + HB2 GLN 83 OK 90 97 - 93 - 3.0/9995=37, 4.1/9992=32...(13) HA ASP 109 + HB2 GLN 83 OK 19 96 - 20 - ~11095=7, ~10351=5...(5) HA ARG 30 - HB2 GLN 83 lone 2 98 - 2 - HA PHE 51 - HB2 GLN 83 lone 2 87 - 2 - Peak 9992 from cnoeabs.peaks (6.18, 2.21, 29.87 ppm; 4.85 A): 1 out of 1 assignment used, quality = 0.87: HG1 THR 9 + HB2 GLN 83 OK 87 99 - 88 - 2.8/9995=34, 9993/1.8=30...(13) Peak 9993 from cnoeabs.peaks (6.19, 1.42, 29.87 ppm; 5.54 A): 1 out of 1 assignment used, quality = 0.83: HG1 THR 9 + HB3 GLN 83 OK 83 90 - 93 - 9992/1.8=45, 2.8/9994=33...(11) Peak 9994 from cnoeabs.peaks (4.32, 1.42, 29.87 ppm; 5.13 A): 2 out of 4 assignments used, quality = 0.95: HB THR 9 + HB3 GLN 83 OK 94 99 - 95 - 9110/1.8=41, 2.8/9993=31...(13) HA GLN 100 + HB3 GLN 83 OK 15 98 - 15 - 9995/1.8=5, 9997/4.0=5 HA LYS 49 - HB3 GLN 83 lone 3 100 - 3 - HA GLN 85 - HB3 GLN 83 lone 1 65 - 1 - Peak 9995 from cnoeabs.peaks (4.31, 2.21, 29.87 ppm; 4.14 A): 2 out of 4 assignments used, quality = 0.80: HB THR 9 + HB2 GLN 83 OK 78 90 - 87 - 9110=33, 2.8/9992=25...(13) HA GLN 100 + HB2 GLN 83 OK 10 100 - 10 - 9997/4.0=3, 9994/1.8=3 HA LYS 49 - HB2 GLN 83 lone 2 96 - 2 - HA LYS 73 - HB2 GLN 83 lone 0 61 - 1 - Peak 10000 from cnoeabs.peaks (4.79, 2.34, 33.72 ppm; 4.78 A): 2 out of 2 assignments used, quality = 0.69: HA THR 108 + HG2 GLN 83 OK 62 97 - 64 - 10001/1.8=26...(10) HA TYR 76 + HG2 GLN 83 OK 19 92 - 20 - 10001/1.8=8, 11296/3.9=5...(6) Peak 10001 from cnoeabs.peaks (4.78, 2.12, 33.72 ppm; 5.11 A): 2 out of 2 assignments used, quality = 0.79: HA THR 108 + HG3 GLN 83 OK 73 100 - 73 - 10000/1.8=33...(9) HA TYR 76 + HG3 GLN 83 OK 23 99 - 23 - 10000/1.8=10...(7) Peak 10004 from cnoeabs.peaks (0.88, 5.26, 54.59 ppm; 4.32 A): 3 out of 10 assignments used, quality = 0.97: QG2 VAL 107 + HA GLN 83 OK 75 94 - 80 - 10305=27, 2.1/10310=22...(17) QG2 THR 9 + HA GLN 83 OK 66 81 - 82 - ~9995=17, ~9110=17...(15) QD2 LEU 90 + HA GLN 83 OK 62 99 - 63 - 10074=31, 10976/3.6=19...(10) QD1 LEU 14 - HA GLN 83 OK 28 65 - 42 - ~11518=11, 2.1/10005=8...(10) QG1 VAL 32 - HA GLN 83 OK 14 92 - 15 - 9282/3.6=4, 2.1/10005=2...(6) QG2 VAL 104 - HA GLN 83 lone 8 97 - 8 - 10020/3.6=4, 4.2/10685=2 HG13 ILE 57 - HA GLN 83 poor 7 65 - 10 - ~9578=2, 4.6/9990=2...(4) QD2 LEU 38 - HA GLN 83 lone 6 87 - 7 - 10020/3.6=5 QG2 VAL 117 - HA GLN 83 lone 5 87 - 6 - 10522/3.0=2 QG2 VAL 29 - HA GLN 83 lone 1 61 - 1 - Peak 10005 from cnoeabs.peaks (0.75, 5.26, 54.59 ppm; 4.42 A): 6 out of 11 assignments used, quality = 0.87: QG1 VAL 107 + HA GLN 83 OK 56 73 - 76 - 2.1/10305=24...(15) QD2 LEU 14 + HA GLN 83 OK 43 73 - 58 - 11007/3.9=14...(11) QG2 ILE 7 + HA GLN 83 OK 19 100 - 19 - 10013/3.9=6, 10011/3.9=4...(4) QD1 LEU 63 + HA GLN 83 OK 17 98 - 17 - 10013/3.9=7, 10011/3.9=4...(5) QG2 ILE 54 + HA GLN 83 OK 14 100 - 14 - 10013/3.9=5, 10011/3.9=3...(5) QG2 VAL 32 + HA GLN 83 OK 12 73 - 17 - 9283/3.6=3, 10009/3.0=2...(8) QD1 LEU 45 - HA GLN 83 lone 8 97 - 8 - 10013/3.9=3, 10009/3.0=2...(4) QD2 LEU 55 - HA GLN 83 lone 5 90 - 6 - 10013/3.9=2, 10011/3.9=1 QD2 LEU 6 - HA GLN 83 lone 4 87 - 4 - 10013/3.9=2, 10011/3.9=1 HG13 ILE 18 - HA GLN 83 lone 3 65 - 4 - 10013/3.9=2, 10011/3.9=1 QD1 ILE 15 - HA GLN 83 lone 2 70 - 3 - Peak 10006 from cnoeabs.peaks (0.86, 1.42, 29.87 ppm; 4.44 A): 3 out of 11 assignments used, quality = 0.98: QG2 THR 9 + HB3 GLN 83 OK 86 97 - 88 - ~9995=24, ~9110=24...(13) QD1 LEU 14 + HB3 GLN 83 OK 70 100 - 70 - 2.1/11518=21, ~11007=16...(12) QG2 VAL 107 + HB3 GLN 83 OK 65 87 - 75 - 10305/3.0=17...(14) QG1 VAL 32 - HB3 GLN 83 OK 16 90 - 18 - 9282/4.4=3, 2.1/10007=3...(8) QG2 VAL 117 - HB3 GLN 83 OK 12 94 - 13 - 10522=4, ~10011=1...(5) QG2 VAL 22 - HB3 GLN 83 lone 6 100 - 6 - 10870/3.0=3 QG2 ILE 15 - HB3 GLN 83 lone 5 94 - 5 - 2698/11518=1 QG2 ILE 57 - HB3 GLN 83 lone 4 73 - 5 - 9578/4.0=2 HG13 ILE 5 - HB3 GLN 83 lone 4 92 - 4 - HG13 ILE 57 - HB3 GLN 83 lone 3 100 - 3 - QG2 ILE 5 - HB3 GLN 83 lone 3 77 - 4 - Peak 10007 from cnoeabs.peaks (0.75, 1.42, 29.87 ppm; 4.22 A): 3 out of 11 assignments used, quality = 0.92: QD2 LEU 14 + HB3 GLN 83 OK 68 90 - 76 - 11007/3.0=21, 11518=18...(16) QG1 VAL 107 + HB3 GLN 83 OK 66 90 - 74 - 10310/3.0=15, 10899=12...(17) QG2 ILE 7 + HB3 GLN 83 OK 21 96 - 22 - 10013/3.0=6, 9082/9994=5...(6) QD1 LEU 63 - HB3 GLN 83 OK 18 90 - 21 - 10013/3.0=7, 10011/3.0=3...(6) QG2 VAL 32 - HB3 GLN 83 OK 17 90 - 19 - 9283/4.4=3, 10009/1.8=3...(7) QG2 ILE 54 - HB3 GLN 83 OK 15 98 - 15 - 10013/3.0=5, 10009/1.8=2...(5) QD1 LEU 45 - HB3 GLN 83 OK 12 100 - 12 - 10013/3.0=3, 10009/1.8=2...(5) QD1 ILE 7 - HB3 GLN 83 OK 11 77 - 14 - ~10013=3, ~10011=2...(6) QD2 LEU 55 - HB3 GLN 83 lone 5 73 - 6 - 10013/3.0=2 QD1 ILE 15 - HB3 GLN 83 lone 4 87 - 5 - QD2 LEU 6 - HB3 GLN 83 lone 3 70 - 5 - 10013/3.0=2 Peak 10008 from cnoeabs.peaks (0.87, 2.21, 29.87 ppm; 4.09 A): 3 out of 10 assignments used, quality = 0.98: QG2 THR 9 + HB2 GLN 83 OK 85 100 - 85 - 2.1/9995=30, 3.0/9992=23...(14) QG2 VAL 107 + HB2 GLN 83 OK 72 100 - 72 - 10305/3.0=18...(14) QD1 LEU 14 + HB2 GLN 83 OK 60 97 - 62 - 11517/1.8=15, ~11518=14...(12) QD2 LEU 90 - HB2 GLN 83 OK 19 73 - 26 - 10074/3.0=13...(4) QG1 VAL 32 - HB2 GLN 83 OK 16 100 - 15 - 9282/4.4=3, 2.1/10009=3...(8) QG2 VAL 117 - HB2 GLN 83 lone 8 100 - 8 - 10522/1.8=3, ~10011=1 QG2 VAL 22 - HB2 GLN 83 lone 4 87 - 4 - 10870/3.0=2 HG13 ILE 57 - HB2 GLN 83 lone 3 97 - 3 - QG2 VAL 104 - HB2 GLN 83 lone 2 65 - 3 - 10020/4.4=2 QG2 ILE 15 - HB2 GLN 83 lone 2 61 - 3 - Peak 10009 from cnoeabs.peaks (0.75, 2.21, 29.87 ppm; 4.09 A): 7 out of 11 assignments used, quality = 0.94: QD2 LEU 14 + HB2 GLN 83 OK 65 90 - 73 - 11007/3.0=20...(14) QG1 VAL 107 + HB2 GLN 83 OK 60 90 - 67 - 10310/3.0=15...(15) QG2 ILE 7 + HB2 GLN 83 OK 21 96 - 22 - 9082/9995=6, 10013/3.0=6...(6) QG2 VAL 32 + HB2 GLN 83 OK 16 90 - 18 - 9283/4.4=3, 10007/1.8=3...(7) QD1 LEU 63 + HB2 GLN 83 OK 15 90 - 17 - 10013/3.0=6, 10007/1.8=3...(6) QG2 ILE 54 + HB2 GLN 83 OK 14 98 - 14 - 10013/3.0=5, 10007/1.8=2...(5) QD1 LEU 45 + HB2 GLN 83 OK 11 100 - 10 - 10013/3.0=3, 10007/1.8=2...(5) QD1 ILE 7 - HB2 GLN 83 poor 10 77 - 13 - ~10013=3, ~10011=2...(5) QD2 LEU 55 - HB2 GLN 83 lone 4 73 - 6 - 10013/3.0=2 QD1 ILE 15 - HB2 GLN 83 lone 4 87 - 5 - 9129/9130=2 QD2 LEU 6 - HB2 GLN 83 lone 3 70 - 4 - 10013/3.0=1 Peak 10010 from cnoeabs.peaks (0.85, 2.34, 33.72 ppm; 4.53 A): 3 out of 11 assignments used, quality = 0.93: QG2 THR 9 + HG2 GLN 83 OK 67 84 - 80 - ~9995=19, ~9110=19...(12) QD1 LEU 14 + HG2 GLN 83 OK 62 94 - 67 - ~11007=23, 2.1/11008=19...(10) QG2 VAL 107 + HG2 GLN 83 OK 43 65 - 66 - 2.1/11020=16...(13) QG1 VAL 32 - HG2 GLN 83 poor 10 70 - 14 - ~9302=2, 10012/1.8=2...(6) QG2 VAL 117 - HG2 GLN 83 poor 9 77 - 12 - 2.1/10011=3, 10522/3.0=2...(4) QG2 VAL 22 - HG2 GLN 83 lone 8 99 - 8 - 10870=4, 10012/1.8=1 QG2 ILE 57 - HG2 GLN 83 lone 5 92 - 5 - 9578/5.0=3 HG13 ILE 5 - HG2 GLN 83 lone 5 99 - 5 - 2.1/11352=1 QG2 ILE 5 - HG2 GLN 83 lone 5 94 - 5 - 3.0/11352=1 QG2 ILE 15 - HG2 GLN 83 lone 4 100 - 4 - 2698/11008=1 HG13 ILE 57 - HG2 GLN 83 lone 3 94 - 3 - Peak 10011 from cnoeabs.peaks (0.74, 2.34, 33.72 ppm; 4.57 A): 0 out of 11 assignments used, low quality = 0.43: QD1 LEU 63 - HG2 GLN 83 OK 20 99 - 20 - 10013/1.8=11, ~9684=3...(5) QG2 ILE 7 - HG2 GLN 83 OK 18 96 - 18 - 10013/1.8=10...(5) QG2 ILE 54 - HG2 GLN 83 OK 14 92 - 16 - 10013/1.8=8, 3.1/11352=2...(6) QD2 LEU 45 - HG2 GLN 83 lone 9 90 - 9 - ~10013=3, 10013/1.8=3...(4) QG1 VAL 117 - HG2 GLN 83 lone 7 77 - 10 - ~10522=2, 3.2/8278=2...(4) HG13 ILE 18 - HG2 GLN 83 lone 7 97 - 7 - 10013/1.8=3, 2.1/11352=2 QD2 LEU 55 - HG2 GLN 83 lone 7 100 - 7 - 10013/1.8=3 QD1 LEU 45 - HG2 GLN 83 poor 7 65 - 10 - 10013/1.8=5, ~10013=2 QD2 LEU 6 - HG2 GLN 83 lone 5 100 - 5 - 10013/1.8=2 QG2 ILE 18 - HG2 GLN 83 lone 3 65 - 5 - ~10013=2, 2.9/11352=1 QG2 VAL 78 - HG2 GLN 83 lone 2 90 - 2 - Peak 10012 from cnoeabs.peaks (0.86, 2.12, 33.72 ppm; 4.10 A): 3 out of 11 assignments used, quality = 0.96: QG2 THR 9 + HG3 GLN 83 OK 73 97 - 75 - ~9995=15, ~9110=15...(14) QD1 LEU 14 + HG3 GLN 83 OK 63 100 - 64 - 2.1/11007=28...(10) QG2 VAL 107 + HG3 GLN 83 OK 56 87 - 64 - 11021/1.8=12...(15) QG1 VAL 32 - HG3 GLN 83 OK 12 90 - 13 - 2.1/9302=2, 10006/3.0=2...(6) QG2 VAL 117 - HG3 GLN 83 lone 9 94 - 9 - 10522/3.0=2, ~10011=2 QG2 VAL 22 - HG3 GLN 83 lone 7 100 - 7 - 10870/1.8=3 QG2 ILE 15 - HG3 GLN 83 lone 4 94 - 4 - 2698/11007=2 HG13 ILE 5 - HG3 GLN 83 lone 4 92 - 4 - HG13 ILE 57 - HG3 GLN 83 lone 3 100 - 3 - QG2 ILE 57 - HG3 GLN 83 lone 3 73 - 4 - 9578/5.0=2 QG2 ILE 5 - HG3 GLN 83 lone 3 77 - 4 - Peak 10013 from cnoeabs.peaks (0.74, 2.12, 33.72 ppm; 3.73 A): 0 out of 9 assignments used, low quality = 0.24: QD1 LEU 63 - HG3 GLN 83 OK 13 100 - 14 - 10011/1.8=5, 2.1/9684=3...(5) QG2 ILE 7 - HG3 GLN 83 OK 12 100 - 12 - 10011/1.8=4, 10009/3.0=2...(4) QG2 ILE 54 - HG3 GLN 83 lone 10 99 - 10 - 10011/1.8=4, 10005/3.9=1...(5) QD1 LEU 45 - HG3 GLN 83 lone 6 87 - 7 - 10011/1.8=2, ~10011=2 QD2 LEU 55 - HG3 GLN 83 lone 4 98 - 4 - 10011/1.8=2 HG13 ILE 18 - HG3 GLN 83 lone 4 84 - 5 - 10011/1.8=2 QD2 LEU 45 - HG3 GLN 83 lone 4 70 - 5 - 10011/1.8=2, ~10011=1 QD2 LEU 6 - HG3 GLN 83 lone 3 97 - 3 - 10011/1.8=1 QG2 VAL 78 - HG3 GLN 83 lone 1 70 - 1 - Peak 10024 from cnoeabs.peaks (0.89, 2.59, 43.77 ppm; 3.96 A): 4 out of 7 assignments used, quality = 0.95: QD2 LEU 90 + HB2 ASP 84 OK 75 98 - 77 - 11571=32, ~11570=22...(9) QD1 LEU 90 + HB2 ASP 84 OK 56 77 - 72 - 2.1/11571=27...(9) QD2 LEU 38 + HB2 ASP 84 OK 37 100 - 38 - 10994=11, ~10992=6...(8) QG2 VAL 104 + HB2 ASP 84 OK 29 99 - 29 - 10243/3.0=7, 10025/1.8=5...(9) QG2 VAL 29 - HB2 ASP 84 lone 2 96 - 2 - QD2 LEU 70 - HB2 ASP 84 lone 1 77 - 2 - QD1 LEU 70 - HB2 ASP 84 lone 1 65 - 2 - Peak 10025 from cnoeabs.peaks (0.88, 2.66, 43.77 ppm; 4.21 A): 4 out of 10 assignments used, quality = 0.92: QD2 LEU 90 + HB3 ASP 84 OK 80 99 - 81 - 11571/1.8=35...(10) QD2 LEU 38 + HB3 ASP 84 OK 34 87 - 40 - 10994/1.8=11...(7) QG2 VAL 104 + HB3 ASP 84 OK 31 97 - 32 - 10243/3.0=7, 10029/4.6=5...(9) QG2 VAL 107 + HB3 ASP 84 OK 12 94 - 13 - 10295/4.1=7, 10026/3.0=3 QG1 VAL 32 - HB3 ASP 84 lone 6 92 - 6 - 9282/4.1=3, 10026/3.0=1 QG2 VAL 29 - HB3 ASP 84 lone 2 61 - 3 - QG2 VAL 117 - HB3 ASP 84 lone 1 87 - 1 - QD1 LEU 14 - HB3 ASP 84 lone 1 65 - 2 - HG13 ILE 57 - HB3 ASP 84 lone 1 65 - 1 - QG2 THR 9 - HB3 ASP 84 lone 1 81 - 1 - Peak 10026 from cnoeabs.peaks (0.88, 4.50, 54.02 ppm; 3.95 A): 4 out of 7 assignments used, quality = 0.92: QD2 LEU 90 + HA ASP 84 OK 77 100 - 77 - 11571/3.0=25...(13) QG2 VAL 104 + HA ASP 84 OK 38 100 - 38 - 10243=9, 2.1/10242=6...(10) QD2 LEU 38 + HA ASP 84 OK 35 98 - 35 - 10994/3.0=10...(9) QG2 VAL 107 + HA ASP 84 OK 18 77 - 24 - ~10021=6, 10295/2.9=6...(8) QG1 VAL 32 - HA ASP 84 lone 7 73 - 10 - ~9283=3, 9282/2.9=3, ~10021=2 QG2 VAL 29 - HA ASP 84 lone 2 84 - 3 - QG2 VAL 117 - HA ASP 84 lone 1 65 - 1 - Peak 10027 from cnoeabs.peaks (7.18, 4.50, 54.02 ppm; 4.56 A): 0 out of 2 assignments used, low quality = 0.25: HE22 GLN 83 - HA ASP 84 OK 14 70 - 20 - ~530=8, ~10817=7, 530/2.9=6 HE21 GLN 83 - HA ASP 84 OK 13 65 - 20 - ~530=8, ~10817=7, 530/2.9=6 Peak 10030 from cnoeabs.peaks (1.25, 4.33, 56.59 ppm; 3.94 A): 1 out of 6 assignments used, quality = 0.54: QG2 THR 108 + HA GLN 85 OK 54 99 - 55 - 10331=22, 11122/3.0=12...(7) HG13 ILE 7 - HA GLN 85 lone 5 100 - 5 - HG12 ILE 54 - HA GLN 85 lone 2 100 - 2 - HG3 LYS 61 - HA GLN 85 lone 1 99 - 1 - HD2 LYS 2 - HA GLN 85 lone 1 94 - 1 - HD3 LYS 53 - HA GLN 85 lone 0 73 - 1 - Peak 10037 from cnoeabs.peaks (8.20, 2.93, 40.96 ppm; 6.05 A): 2 out of 4 assignments used, quality = 0.45: H GLU 89 + HB2 ASP 86 OK 29 61 - 48 - 10071/3.0=17...(6) H GLU 111 + HB2 ASP 86 OK 23 90 - 26 - 3.9/9309=7, 5.2/10044=6...(5) H LEU 38 - HB2 ASP 86 lone 3 100 - 3 - H ASP 84 - HB2 ASP 86 lone 2 100 - 2 - Peak 10044 from cnoeabs.peaks (2.28, 2.93, 40.96 ppm; 5.64 A): 5 out of 12 assignments used, quality = 0.89: HG2 GLU 111 + HB2 ASP 86 OK 43 97 - 44 - 10048/1.8=11, ~10048=9...(7) HG3 GLU 111 + HB2 ASP 86 OK 37 90 - 41 - 10048/1.8=11, ~10048=9...(6) HG2 GLU 89 + HB2 ASP 86 OK 34 70 - 49 - 10048/1.8=14...(8) HG3 GLU 87 + HB2 ASP 86 OK 33 77 - 42 - 4.9/7742=30, 3.0/9309=9 HG2 GLU 87 + HB2 ASP 86 OK 33 77 - 42 - 4.9/7742=30, 3.0/9309=9 HG3 GLU 92 - HB2 ASP 86 lone 5 77 - 7 - 10048/1.8=2 HG3 GLU 91 - HB2 ASP 86 lone 5 97 - 5 - 10048/1.8=1, 3.0/11469=1 HB3 ASN 8 - HB2 ASP 86 lone 5 97 - 5 - 4.0/7742=2, 10048/1.8=2 HB2 GLU 37 - HB2 ASP 86 lone 4 90 - 5 - 4.7/10037=1, 10048/1.8=1 HG2 GLU 69 - HB2 ASP 86 lone 3 97 - 3 - HB2 MET 121 - HB2 ASP 86 lone 2 92 - 2 - HG2 GLU 47 - HB2 ASP 86 lone 2 77 - 2 - Peak 10048 from cnoeabs.peaks (2.27, 2.57, 40.96 ppm; 5.09 A): 3 out of 10 assignments used, quality = 0.58: HG2 GLU 89 + HB3 ASP 86 OK 29 90 - 33 - 3.0/10049=7, 3.0/10049=7...(7) HG2 GLU 111 + HB3 ASP 86 OK 24 84 - 28 - 3.0/10049=8, 10044/1.8=7...(6) HG3 GLU 111 + HB3 ASP 86 OK 24 99 - 24 - 3.0/10049=8, 10044/1.8=6...(4) HG3 GLU 92 - HB3 ASP 86 lone 4 94 - 4 - HB3 ASN 8 - HB3 ASP 86 lone 3 100 - 3 - 4.0/7743=1 HG3 GLU 91 - HB3 ASP 86 lone 2 84 - 3 - HB2 GLU 37 - HB3 ASP 86 lone 2 99 - 2 - HG2 GLU 103 - HB3 ASP 86 lone 2 65 - 2 - HG2 GLU 69 - HB3 ASP 86 lone 2 100 - 2 - HB2 MET 121 - HB3 ASP 86 lone 1 73 - 2 - Peak 10049 from cnoeabs.peaks (2.02, 2.57, 40.96 ppm; 4.33 A): 5 out of 12 assignments used, quality = 0.73: HB3 GLU 111 + HB3 ASP 86 OK 25 100 - 25 - 3.0/10048=6, 3.0/10048=6...(5) HB3 GLU 87 + HB3 ASP 86 OK 24 70 - 34 - 4.0/547=25, 9309/1.8=7...(4) HB3 GLN 85 + HB3 ASP 86 OK 23 70 - 33 - 4.6/1571=26, 9309/1.8=7 HB2 GLU 89 + HB3 ASP 86 OK 22 70 - 32 - 3.0/10048=8, 9309/1.8=8...(9) HB3 GLU 89 + HB3 ASP 86 OK 22 70 - 32 - 3.0/10048=8, 9309/1.8=8...(9) HB2 GLU 66 - HB3 ASP 86 lone 2 70 - 3 - HB3 GLU 48 - HB3 ASP 86 lone 1 70 - 2 - HB2 GLU 48 - HB3 ASP 86 lone 1 70 - 2 - HB2 MET 1 - HB3 ASP 86 lone 1 97 - 1 - HB2 GLN 25 - HB3 ASP 86 lone 1 100 - 1 - HG3 GLU 128 - HB3 ASP 86 lone 1 94 - 1 - HG2 GLU 128 - HB3 ASP 86 lone 1 94 - 1 - Peak 10054 from cnoeabs.peaks (0.89, 4.04, 58.52 ppm; 3.70 A): 4 out of 8 assignments used, quality = 0.92: QD2 LEU 90 + HA GLU 87 OK 77 99 - 77 - 3.1/8165=22, 3.1/8167=21...(11) QD1 LEU 90 + HA GLU 87 OK 49 70 - 70 - 3.1/8165=22, 3.1/8167=21...(11) QD2 LEU 38 + HA GLU 87 OK 22 100 - 22 - 10996=5, 10056/3.0=5...(10) QG2 VAL 104 + HA GLU 87 OK 14 100 - 14 - 10056/3.0=4, 6384/3.0=4...(7) QG2 VAL 107 - HA GLU 87 lone 5 65 - 7 - 10322/11410=1, 10056/3.0=1 QG1 VAL 32 - HA GLU 87 lone 4 61 - 6 - 2.1/8165=2, 10056/3.0=1 QG2 VAL 29 - HA GLU 87 lone 1 92 - 1 - QD2 LEU 70 - HA GLU 87 lone 0 70 - 1 - Peak 10055 from cnoeabs.peaks (0.87, 2.04, 29.57 ppm; 3.52 A): 5 out of 27 assignments used, quality = 0.80: QD2 LEU 90 + HB3 GLU 87 OK 59 96 - 62 - 10056/1.8=21...(14) QG2 VAL 104 + HB3 GLU 98 OK 26 49 - 54 - 10161/2.9=12...(9) QG2 VAL 104 + HB3 GLN 85 OK 15 62 - 24 - 11510/4.6=5, ~11455=4...(8) QD2 LEU 38 + HB3 GLU 87 OK 12 77 - 16 - 10056/1.8=5, 10054/3.0=2...(7) QG2 VAL 104 + HB3 GLU 87 OK 12 92 - 13 - 10056/1.8=4, 10050/4.0=3...(6) QD2 LEU 38 - HB3 GLN 85 poor 8 49 - 16 - 11404/1.8=3, 10029/4.0=3...(8) QD2 LEU 90 - HB3 GLN 85 poor 7 66 - 11 - 10029/4.0=5, 11404/1.8=2 QG2 VAL 107 - HB3 GLU 87 lone 6 98 - 6 - 10056/1.8=1, 10322/11409=1 QG1 VAL 32 - HB3 GLU 98 poor 6 54 - 11 - 9298/3.0=3, ~9291=2...(4) QG1 VAL 32 - HB3 GLU 87 lone 5 97 - 5 - 10056/1.8=1 QG2 VAL 107 - HB3 GLN 85 lone 4 69 - 6 - 7858/4.0=2, 10322/11409=1 QG2 VAL 107 - HB3 GLU 98 lone 3 55 - 5 - 10296/4.3=3 QD2 LEU 38 - HB3 GLU 98 lone 3 38 - 7 - 11404/1.8=1, 10161/2.9=1 QG2 VAL 117 - HB3 GLU 87 lone 2 94 - 3 - QG1 VAL 32 - HB3 GLN 85 lone 2 67 - 4 - QD2 LEU 90 - HB3 GLU 98 lone 2 52 - 4 - 10161/2.9=1 QG2 THR 9 - HB3 GLU 87 lone 1 90 - 1 - QG2 VAL 117 - HB3 GLN 85 lone 1 64 - 2 - HG13 ILE 57 - HB3 GLU 87 lone 1 77 - 1 - QD1 LEU 14 - HB3 GLN 85 lone 1 49 - 2 - QD1 LEU 14 - HB3 GLU 87 lone 1 77 - 1 - QG2 THR 9 - HB3 GLN 85 lone 1 59 - 1 - QG2 VAL 117 - HB3 GLU 98 lone 0 50 - 1 - HG13 ILE 57 - HB3 GLN 85 lone 0 49 - 1 - QD1 LEU 14 - HB3 GLU 98 lone 0 38 - 1 - QG2 THR 9 - HB3 GLU 98 lone 0 47 - 1 - HG13 ILE 57 - HB3 GLU 98 lone 0 38 - 1 - Peak 10056 from cnoeabs.peaks (0.88, 2.09, 29.57 ppm; 3.39 A): 3 out of 8 assignments used, quality = 0.65: QD2 LEU 90 + HB2 GLU 87 OK 54 100 - 54 - 10054/3.0=10...(12) QD2 LEU 38 + HB2 GLU 87 OK 14 97 - 14 - 10054/3.0=3, 10055/1.8=2...(6) QG2 VAL 104 + HB2 GLU 87 OK 11 100 - 11 - 6384/4.0=2, 10055/1.8=2...(6) QG2 VAL 107 - HB2 GLU 87 lone 4 81 - 5 - 10055/1.8=1 QG1 VAL 32 - HB2 GLU 87 lone 3 77 - 4 - QG2 VAL 117 - HB2 GLU 87 lone 1 70 - 2 - QG2 VAL 29 - HB2 GLU 87 lone 1 81 - 1 - QG2 THR 9 - HB2 GLU 87 lone 1 61 - 1 - Peak 10057 from cnoeabs.peaks (0.88, 2.29, 36.01 ppm; 3.94 A): 6 out of 32 assignments used, quality = 0.87: QD2 LEU 90 + HG3 GLU 87 OK 52 100 - 52 - 10056/3.0=21...(9) QD2 LEU 90 + HG2 GLU 87 OK 52 100 - 52 - 10056/3.0=21...(9) QD2 LEU 38 + HG3 GLU 87 OK 13 97 - 13 - 10056/3.0=5, 10054/4.0=3...(4) QD2 LEU 38 + HG2 GLU 87 OK 13 97 - 13 - 10056/3.0=5, 10054/4.0=3...(4) QG2 VAL 104 + HG3 GLU 87 OK 13 100 - 12 - 10056/3.0=4, 10050/4.9=3...(4) QG2 VAL 104 + HG2 GLU 87 OK 13 100 - 12 - 10056/3.0=4, 10050/4.9=3...(4) QG2 VAL 107 - HG3 GLU 87 lone 6 81 - 7 - 10322/10326=2...(3) QG2 VAL 107 - HG2 GLU 87 lone 6 81 - 7 - 10322/10326=2...(3) QG2 VAL 107 - HG2 GLU 111 lone 5 67 - 8 - 10308/3.9=3, 10295/5.2=2 QD2 LEU 90 - HG2 GLU 111 lone 4 90 - 4 - QG1 VAL 32 - HG2 GLU 87 lone 4 77 - 5 - 10056/3.0=1 QG1 VAL 32 - HG3 GLU 87 lone 4 77 - 5 - 10056/3.0=1 QG1 VAL 32 - HG2 GLU 111 lone 3 64 - 4 - 9282/5.2=1 QD2 LEU 90 - HG2 GLU 47 lone 2 68 - 3 - 4.6/1602=2 QG2 VAL 117 - HG3 GLU 87 lone 2 70 - 2 - QG2 VAL 117 - HG2 GLU 87 lone 2 70 - 2 - QD2 LEU 38 - HG2 GLU 111 lone 1 85 - 2 - QG2 VAL 104 - HG2 GLU 111 lone 1 90 - 1 - QG2 THR 9 - HG2 GLU 87 lone 1 61 - 2 - QG2 THR 9 - HG3 GLU 87 lone 1 61 - 2 - QG2 VAL 29 - HG2 GLU 87 lone 1 81 - 1 - QG2 VAL 29 - HG3 GLU 87 lone 1 81 - 1 - QG2 VAL 117 - HG2 GLU 111 lone 1 57 - 2 - QG2 VAL 104 - HG2 GLU 47 lone 1 67 - 1 - QG1 VAL 32 - HG2 GLU 47 lone 1 45 - 1 - QG2 THR 9 - HG2 GLU 111 lone 0 50 - 1 - QD2 LEU 38 - HG2 GLU 47 lone 0 62 - 1 - QG2 VAL 29 - HG2 GLU 111 lone 0 67 - 1 - QG2 VAL 107 - HG2 GLU 47 lone 0 48 - 1 - QG2 VAL 29 - HG2 GLU 47 lone 0 48 - 0 - QG2 VAL 117 - HG2 GLU 47 lone 0 40 - 1 - QG2 THR 9 - HG2 GLU 47 lone 0 35 - 1 - Peak 10072 from cnoeabs.peaks (5.57, 0.88, 24.74 ppm; 4.96 A): 1 out of 1 assignment used, quality = 0.73: HA LYS 106 + QD2 LEU 90 OK 73 92 - 80 - 3.6/11578=34...(18) Peak 10073 from cnoeabs.peaks (7.21, 0.88, 24.74 ppm; 4.90 A): 3 out of 3 assignments used, quality = 0.64: QD PHE 93 + QD2 LEU 90 OK 39 94 - 42 - 4668=10, 2.4/10089=10...(9) HE21 GLN 83 + QD2 LEU 90 OK 23 90 - 26 - 5.9/10074=15...(5) HE22 GLN 83 + QD2 LEU 90 OK 22 87 - 26 - 5.9/10074=15...(5) Peak 10074 from cnoeabs.peaks (5.26, 0.88, 24.74 ppm; 4.62 A): 2 out of 2 assignments used, quality = 0.64: HA GLN 83 + QD2 LEU 90 OK 57 100 - 57 - 3.6/10976=22, ~11306=15...(10) HA LEU 81 + QD2 LEU 90 OK 17 94 - 19 - 3.6/9968=8...(4) Peak 10082 from cnoeabs.peaks (2.06, 4.34, 60.45 ppm; 5.09 A): 5 out of 36 assignments used, quality = 0.95: HB2 GLU 92 + HA PHE 93 OK 66 100 - 66 - 581/3.0=21, ~582=19...(11) HB3 GLU 98 + HA SER 99 OK 58 99 - 59 - ~630=23, 631/2.9=19...(6) HB3 GLU 89 + HA PHE 93 OK 30 77 - 39 - ~584=7, ~583=7...(10) HB2 GLU 89 + HA PHE 93 OK 30 77 - 39 - ~584=7, ~583=7...(10) HB2 LYS 94 + HA PHE 93 OK 28 77 - 36 - 1619/3.6=22, 4.4/8205=12 HB3 GLN 100 - HA SER 99 OK 21 95 - 22 - 1665/3.6=17, 631/2.9=5 HB3 GLU 91 - HA PHE 93 OK 18 81 - 22 - 7765/3.0=5, ~7764=4...(7) HB3 GLU 91 - HA SER 99 OK 16 78 - 21 - ~2178=4, 7765/2.9=3...(10) HB3 GLU 89 - HA SER 99 poor 10 75 - 13 - ~2179=4, ~8178=2...(4) HB2 GLU 89 - HA SER 99 poor 10 75 - 13 - ~2179=4, ~8178=2...(4) HB2 LYS 94 - HA SER 99 poor 9 75 - 12 - 4.4/8205=10 HB3 MET 67 - HA SER 99 lone 8 96 - 8 - 1665/3.6=3, ~2176=2, 631/2.9=1 HB2 GLU 13 - HA PHE 93 lone 7 94 - 7 - ~583=2, 581/3.0=2, ~7771=1 HB3 GLU 98 - HA PHE 93 lone 7 100 - 7 - 3.0/6228=1, 581/3.0=1 HB2 GLU 92 - HA SER 99 lone 7 99 - 7 - 631/2.9=2 HB2 GLU 66 - HA SER 99 lone 6 75 - 9 - 631/2.9=2, ~630=2...(4) HB2 GLU 13 - HA SER 99 lone 5 92 - 5 - 631/2.9=1 HB3 GLN 85 - HA SER 99 lone 5 75 - 6 - ~630=2, 631/2.9=2 HB2 GLU 66 - HA PHE 93 lone 3 77 - 4 - HB3 GLN 85 - HA PHE 93 lone 3 77 - 4 - HB2 GLU 48 - HA PHE 93 lone 3 77 - 3 - HB3 GLU 48 - HA PHE 93 lone 3 77 - 3 - HB2 GLU 47 - HA PHE 93 lone 2 100 - 2 - HB3 MET 67 - HA PHE 93 lone 2 98 - 2 - HB3 GLU 87 - HA PHE 93 lone 2 77 - 3 - HB VAL 117 - HA PHE 93 lone 2 96 - 2 - HB2 GLU 47 - HA SER 99 lone 2 99 - 2 - HB3 GLN 100 - HA PHE 93 lone 2 97 - 2 - HB VAL 117 - HA SER 99 lone 2 93 - 2 - HG3 GLU 52 - HA PHE 93 lone 1 90 - 2 - HB2 GLN 28 - HA PHE 93 lone 1 97 - 1 - HB2 GLN 28 - HA SER 99 lone 1 95 - 1 - HG3 GLU 52 - HA SER 99 lone 1 87 - 2 - HB3 GLU 48 - HA SER 99 lone 1 75 - 2 - HB2 GLU 48 - HA SER 99 lone 1 75 - 2 - HB3 GLU 87 - HA SER 99 lone 1 75 - 2 - Peak 10084 from cnoeabs.peaks (1.67, 4.34, 60.45 ppm; 4.60 A): 4 out of 46 assignments used, quality = 0.91: HD2 LYS 96 + HA SER 99 OK 56 92 - 61 - 3.4/8210=20, 3.4/8208=13...(13) HD3 LYS 96 + HA SER 99 OK 53 87 - 61 - 3.4/8210=20, 3.4/8208=13...(13) HD2 LYS 96 + HA PHE 93 OK 37 94 - 39 - 3.4/8210=10, 3.0/11309=8...(8) HD3 LYS 96 + HA PHE 93 OK 35 90 - 39 - 3.4/8210=10, 3.0/11309=8...(8) HG3 ARG 95 - HA SER 99 OK 21 98 - 22 - 4.7/8205=8, 3.0/8209=5...(5) HD3 LYS 20 - HA SER 99 OK 21 75 - 28 - 3.0/10087=4, 3.0/10087=4...(11) HD2 LYS 20 - HA SER 99 OK 19 71 - 28 - 3.0/10087=4, 3.0/10087=4...(11) HG3 ARG 95 - HA PHE 93 OK 19 99 - 19 - 4.7/8205=10, 3.0/8209=4...(4) HD3 LYS 115 - HA SER 99 lone 8 84 - 10 - 2.9/10085=2, ~10460=2...(5) HD2 LYS 115 - HA SER 99 lone 7 75 - 10 - 2.9/10085=2, ~10460=2, ~10462=1 HD3 LYS 40 - HA SER 99 lone 7 92 - 7 - 3.0/10087=2, 3.0/10087=2 HD2 LYS 65 - HA PHE 93 lone 7 70 - 10 - 11594/5.6=4, 4740/3.7=3 HD2 LYS 40 - HA SER 99 lone 7 89 - 7 - 3.0/10087=2, 3.0/10087=2 HD3 LYS 40 - HA PHE 93 lone 6 94 - 7 - 3.0/10087=2, 3.0/10087=2 HD2 LYS 40 - HA PHE 93 lone 6 92 - 7 - 3.0/10087=2, 3.0/10087=2 HD3 LYS 20 - HA PHE 93 lone 6 77 - 8 - 3.0/10087=1, 3.0/10087=1 HD2 LYS 20 - HA PHE 93 lone 6 73 - 8 - 3.0/10087=1, 3.0/10087=1 HD2 LYS 43 - HA PHE 93 lone 6 97 - 6 - 11703/3.7=1 HD2 LYS 17 - HA SER 99 lone 6 92 - 6 - 2861/3.0=1, 2861/3.0=1 HD2 LYS 43 - HA SER 99 lone 5 95 - 6 - HD3 LYS 43 - HA PHE 93 lone 5 87 - 6 - 11703/3.7=1 HD3 LYS 43 - HA SER 99 lone 5 84 - 6 - HD3 LYS 73 - HA SER 99 lone 5 84 - 5 - HD2 LYS 73 - HA SER 99 lone 4 81 - 5 - HD3 LYS 73 - HA PHE 93 lone 4 87 - 5 - HD2 LYS 73 - HA PHE 93 lone 4 84 - 5 - HD3 LYS 115 - HA PHE 93 lone 3 87 - 4 - HD2 LYS 115 - HA PHE 93 lone 3 77 - 4 - 4740/3.7=1 HD2 LYS 65 - HA SER 99 lone 1 67 - 2 - HD2 LYS 17 - HA PHE 93 lone 1 94 - 1 - HD2 LYS 16 - HA SER 99 lone 1 78 - 1 - HB2 GLU 52 - HA PHE 93 lone 1 77 - 1 - HD3 LYS 49 - HA PHE 93 lone 1 65 - 2 - HD2 LYS 49 - HA PHE 93 lone 1 65 - 2 - HD2 LYS 16 - HA PHE 93 lone 1 81 - 1 - HD3 LYS 16 - HA SER 99 lone 1 67 - 1 - HB2 ARG 30 - HA PHE 93 lone 1 70 - 1 - HB ILE 54 - HA PHE 93 lone 1 92 - 1 - HB2 GLU 52 - HA SER 99 lone 1 75 - 1 - HB ILE 54 - HA SER 99 lone 1 89 - 1 - HD3 LYS 16 - HA PHE 93 lone 1 70 - 1 - HD2 LYS 49 - HA SER 99 lone 1 63 - 1 - HD3 LYS 49 - HA SER 99 lone 1 63 - 1 - HB ILE 56 - HA PHE 93 lone 1 70 - 1 - HB ILE 56 - HA SER 99 lone 1 67 - 1 - HB2 ARG 30 - HA SER 99 lone 1 67 - 1 - Peak 10085 from cnoeabs.peaks (1.56, 4.34, 60.45 ppm; 5.39 A): 3 out of 24 assignments used, quality = 0.90: HG3 LYS 96 + HA SER 99 OK 75 96 - 78 - 2.9/8210=26, 11309=19...(14) HG3 LYS 96 + HA PHE 93 OK 51 98 - 52 - 2.9/8210=13, 11309=12...(8) HG2 LYS 115 + HA SER 99 OK 20 98 - 20 - 11309=4, ~10460=4...(6) HG2 LYS 44 - HA SER 99 poor 7 63 - 11 - 1640/8206=2, 11309=2...(5) HG2 LYS 115 - HA PHE 93 lone 7 100 - 7 - 10463/7.2=2, 11309=1 HG2 LYS 44 - HA PHE 93 lone 6 65 - 9 - 1640/8206=2, 11309=1...(4) HG2 LYS 65 - HA PHE 93 lone 6 77 - 7 - 10463/7.2=4 HD3 LYS 106 - HA PHE 93 lone 4 100 - 4 - 3.0/10087=1, 3.0/10087=1 HD2 LYS 106 - HA PHE 93 lone 4 100 - 4 - 3.0/10087=1, 3.0/10087=1 HB VAL 78 - HA PHE 93 lone 4 97 - 4 - 11290/10138=2 HD3 LYS 106 - HA SER 99 lone 4 99 - 4 - 3.0/10087=1 HD2 LYS 106 - HA SER 99 lone 4 98 - 4 - 3.0/10087=1 HB VAL 78 - HA SER 99 lone 3 95 - 4 - 3.7/8211=1 QB ALA 46 - HA PHE 93 lone 3 81 - 4 - 9453/8205=1 HB3 LEU 70 - HA PHE 93 lone 3 98 - 3 - HB3 LEU 70 - HA SER 99 lone 3 96 - 3 - QB ALA 46 - HA SER 99 lone 3 78 - 4 - 9453/8205=1 HG LEU 55 - HA PHE 93 lone 3 100 - 3 - HG2 LYS 65 - HA SER 99 lone 2 75 - 3 - HG2 LYS 123 - HA SER 99 lone 2 87 - 3 - HG2 LYS 123 - HA PHE 93 lone 2 90 - 2 - HG LEU 55 - HA SER 99 lone 2 99 - 2 - HG12 ILE 3 - HA SER 99 lone 1 98 - 1 - HG12 ILE 3 - HA PHE 93 lone 1 100 - 1 - Peak 10086 from cnoeabs.peaks (1.44, 4.34, 60.45 ppm; 6.20 A): 5 out of 32 assignments used, quality = 0.93: HG2 LYS 96 + HA SER 99 OK 76 99 - 77 - 2.9/8210=27...(12) HG2 LYS 96 + HA PHE 93 OK 53 100 - 53 - 2.9/8210=14...(8) HG LEU 80 + HA PHE 93 OK 27 100 - 27 - ~10090=7, 2.1/10091=6...(6) HG3 LYS 44 + HA SER 99 OK 12 99 - 12 - 1639/8206=3, 1.8/11309=2...(5) HG3 LYS 44 + HA PHE 93 OK 10 100 - 10 - 1639/8206=2, 1.8/11309=1 HG2 LYS 39 - HA SER 99 poor 7 67 - 11 - 4.9/8211=5, 7475/8206=2 HG3 LYS 17 - HA SER 99 lone 7 87 - 7 - ~2871=1, ~2861=1...(4) HG2 LYS 39 - HA PHE 93 lone 5 70 - 8 - 4.9/8211=3, 7475/8206=1 HG LEU 80 - HA SER 99 lone 4 99 - 4 - HB3 LEU 63 - HA SER 99 lone 3 78 - 4 - ~2179=1 HG12 ILE 7 - HA PHE 93 lone 3 61 - 4 - HB2 LEU 4 - HA PHE 93 lone 2 100 - 2 - HB3 LEU 4 - HA PHE 93 lone 2 100 - 2 - HG3 LYS 17 - HA PHE 93 lone 2 90 - 2 - HB3 LEU 4 - HA SER 99 lone 2 98 - 2 - HB2 LEU 4 - HA SER 99 lone 2 98 - 2 - HB3 LEU 63 - HA PHE 93 lone 2 81 - 3 - HB3 LYS 61 - HA PHE 93 lone 2 96 - 2 - HG12 ILE 56 - HA PHE 93 lone 2 84 - 2 - HB3 LYS 61 - HA SER 99 lone 2 93 - 2 - HG LEU 4 - HA PHE 93 lone 2 90 - 2 - HG12 ILE 56 - HA SER 99 lone 2 81 - 2 - HG2 LYS 49 - HA PHE 93 lone 2 65 - 3 - HG3 LYS 49 - HA PHE 93 lone 2 65 - 3 - HG LEU 4 - HA SER 99 lone 2 87 - 2 - HG3 ARG 30 - HA PHE 93 lone 2 87 - 2 - HG3 ARG 30 - HA SER 99 lone 2 84 - 2 - HG2 LYS 49 - HA SER 99 lone 1 63 - 2 - HG3 LYS 49 - HA SER 99 lone 1 63 - 2 - HB3 LEU 6 - HA PHE 93 lone 1 65 - 2 - HB3 LEU 6 - HA SER 99 lone 1 63 - 2 - HG12 ILE 7 - HA SER 99 lone 1 59 - 2 - Peak 10087 from cnoeabs.peaks (2.96, 4.34, 60.45 ppm; 5.06 A): 0 out of 24 assignments used, low quality = 0.21: HE3 LYS 20 - HA SER 99 OK 11 96 - 12 - 3.0/11310=3, 3.0/11310=3...(5) HE2 LYS 20 - HA SER 99 OK 11 96 - 12 - 3.0/11310=3, 3.0/11310=3...(5) HE3 LYS 40 - HA SER 99 lone 4 93 - 5 - 7.5/8206=1 HE3 LYS 40 - HA PHE 93 lone 4 96 - 4 - 7.5/8206=1 HE2 LYS 40 - HA SER 99 lone 4 89 - 5 - 7.5/8206=1 HE2 LYS 40 - HA PHE 93 lone 4 92 - 4 - 7.5/8206=1 HE2 LYS 20 - HA PHE 93 lone 4 98 - 4 - HE3 LYS 20 - HA PHE 93 lone 4 98 - 4 - HB3 PHE 51 - HA PHE 93 lone 3 94 - 3 - 2.4/10822=1 HE3 LYS 43 - HA PHE 93 lone 2 70 - 3 - HE3 LYS 43 - HA SER 99 lone 2 67 - 4 - HE3 LYS 106 - HA PHE 93 lone 2 99 - 2 - HE2 LYS 106 - HA PHE 93 lone 2 98 - 2 - HE3 LYS 106 - HA SER 99 lone 2 97 - 2 - HE3 LYS 73 - HA SER 99 lone 2 59 - 3 - HE2 LYS 106 - HA SER 99 lone 2 96 - 2 - HE3 LYS 73 - HA PHE 93 lone 2 61 - 3 - HB3 PHE 51 - HA SER 99 lone 2 92 - 2 - HB3 ASN 24 - HA SER 99 lone 1 92 - 1 - HB2 ASN 24 - HA SER 99 lone 1 92 - 1 - HB3 ASN 24 - HA PHE 93 lone 1 94 - 1 - HB2 ASN 24 - HA PHE 93 lone 1 94 - 1 - HD3 ARG 118 - HA PHE 93 lone 1 84 - 1 - HD3 ARG 118 - HA SER 99 lone 1 81 - 1 - Peak 10088 from cnoeabs.peaks (0.89, 3.29, 38.99 ppm; 5.42 A): 3 out of 8 assignments used, quality = 0.93: QG2 VAL 104 + HB2 PHE 93 OK 69 100 - 69 - ~10235=30, 4668/2.4=16...(9) QD2 LEU 90 + HB2 PHE 93 OK 62 99 - 62 - 3.9/8186=30...(8) QD1 LEU 90 + HB2 PHE 93 OK 45 70 - 65 - 3.9/8186=30, ~10073=14...(9) QG2 VAL 107 - HB2 PHE 93 OK 21 65 - 32 - 10296/3.6=14, 4668/2.4=5...(7) QG2 VAL 29 - HB2 PHE 93 OK 15 92 - 16 - 4668/2.4=4, 10246/4.4=3...(6) QD2 LEU 70 - HB2 PHE 93 lone 7 70 - 10 - 10099/4.3=5, 10089/1.8=1 QD2 LEU 38 - HB2 PHE 93 lone 6 100 - 6 - 4668/2.4=2, 10099/4.3=1 QG1 VAL 32 - HB2 PHE 93 lone 2 61 - 3 - Peak 10089 from cnoeabs.peaks (0.89, 3.04, 38.99 ppm; 4.76 A): 5 out of 16 assignments used, quality = 0.92: QG2 VAL 104 + HB3 PHE 93 OK 63 100 - 63 - 2.1/10235=31...(9) QD2 LEU 90 + HB3 PHE 93 OK 52 99 - 52 - 3.9/8188=23...(8) QD1 LEU 90 + HB3 PHE 93 OK 38 70 - 55 - 3.9/8188=23, ~10073=11...(9) QG2 VAL 107 + HB3 PHE 93 OK 18 65 - 27 - 10296/3.6=12, 4668/2.4=4...(6) QG2 VAL 29 + HB3 PHE 93 OK 12 92 - 12 - 4668/2.4=3, 10246/4.4=2...(5) QD2 LEU 70 - HB3 PHE 93 lone 5 70 - 7 - 10099/4.3=4 QD2 LEU 38 - HB3 PHE 93 lone 5 100 - 5 - 4668/2.4=1, 10099/4.3=1 QG2 VAL 107 - HB2 PHE 51 lone 2 50 - 3 - ~4603=1 QD2 LEU 90 - HB2 PHE 51 lone 2 85 - 2 - QG2 VAL 104 - HB2 PHE 51 lone 2 86 - 2 - QG1 VAL 32 - HB3 PHE 93 lone 1 61 - 2 - QD1 LEU 90 - HB2 PHE 51 lone 1 54 - 2 - QG1 VAL 32 - HB2 PHE 51 lone 1 47 - 2 - QD2 LEU 38 - HB2 PHE 51 lone 1 86 - 1 - QG2 VAL 29 - HB2 PHE 51 lone 1 75 - 1 - QD2 LEU 70 - HB2 PHE 51 lone 0 54 - 1 - Peak 10090 from cnoeabs.peaks (0.77, 3.29, 38.99 ppm; 5.66 A): 3 out of 10 assignments used, quality = 0.95: QD1 LEU 82 + HB2 PHE 93 OK 70 92 - 76 - 11398/2.4=38, ~9983=36...(6) QD2 LEU 80 + HB2 PHE 93 OK 62 96 - 65 - 9938/2.4=34, 9934/4.4=18...(11) QD1 LEU 80 + HB2 PHE 93 OK 56 97 - 58 - ~9938=27, 5502/4.3=9...(11) QD2 LEU 64 - HB2 PHE 93 OK 29 77 - 38 - 9693/4.4=15, ~4740=10...(6) QG1 VAL 107 - HB2 PHE 93 OK 27 99 - 28 - 10298/3.6=9, 7859/4.3=6...(7) QD1 ILE 7 - HB2 PHE 93 lone 8 100 - 8 - 9084/4.4=4, 10094/1.8=1 QD2 LEU 14 - HB2 PHE 93 lone 5 99 - 5 - ~9167=1 QG2 VAL 32 - HB2 PHE 93 lone 3 99 - 3 - QD1 ILE 15 - HB2 PHE 93 lone 2 99 - 2 - QD1 LEU 45 - HB2 PHE 93 lone 2 81 - 2 - Peak 10091 from cnoeabs.peaks (0.79, 4.34, 60.45 ppm; 6.20 A): 7 out of 14 assignments used, quality = 0.91: QD1 LEU 82 + HA PHE 93 OK 43 77 - 56 - 11398/3.7=28...(6) QD1 LEU 81 + HA PHE 93 OK 39 99 - 39 - 11603/5.6=13, 4667/3.7=8...(7) QD2 LEU 80 + HA PHE 93 OK 36 70 - 52 - 9938/3.7=21, 9934/5.6=11...(11) QD2 LEU 64 + HA PHE 93 OK 36 92 - 39 - 9693/5.6=18, 4667/3.7=10...(6) QD1 LEU 80 + HA PHE 93 OK 24 65 - 36 - ~10090=7, 10100/3.6=7...(10) QG1 VAL 29 + HA PHE 93 OK 12 97 - 12 - ~10088=2, ~10089=2...(5) QD1 LEU 114 + HA SER 99 OK 11 84 - 13 - 723/3.6=3, ~11466=2...(7) QD2 LEU 64 - HA SER 99 lone 4 89 - 5 - QD1 LEU 81 - HA SER 99 lone 4 98 - 4 - QD1 LEU 114 - HA PHE 93 lone 3 87 - 4 - QD2 LEU 80 - HA SER 99 lone 3 67 - 5 - 10133/10135=1 QD1 LEU 80 - HA SER 99 lone 3 63 - 5 - 9924/10138=1, 10133/10135=1 QD1 LEU 82 - HA SER 99 lone 3 75 - 4 - 11397/10138=1 QG1 VAL 29 - HA SER 99 lone 2 95 - 2 - Peak 10092 from cnoeabs.peaks (0.78, 7.22, 131.64 ppm; 5.10 A): 5 out of 10 assignments used, quality = 1.00: QD1 LEU 82 + QD PHE 93 OK 87 93 - 93 - 2.1/9983=46, 11398=44...(13) QD2 LEU 64 + QD PHE 93 OK 68 93 - 73 - 9693/2.2=27, ~9692=19...(13) QD2 LEU 80 + QD PHE 93 OK 64 92 - 70 - 9938=38, 9934/2.2=22...(11) QD1 LEU 80 + QD PHE 93 OK 60 91 - 66 - 2.1/9938=32, ~9934=16...(11) QD1 LEU 81 + QD PHE 93 OK 51 84 - 61 - 11603/2.2=16, ~11385=11...(12) QG1 VAL 107 - QD PHE 93 OK 12 60 - 20 - 10298/4.5=4, 2.1/4668=4...(7) QD1 ILE 7 - QD PHE 93 lone 5 74 - 7 - 9084/2.2=4 QD2 LEU 14 - QD PHE 93 lone 3 60 - 5 - QG2 VAL 32 - QD PHE 93 lone 2 60 - 3 - QD1 ILE 15 - QD PHE 93 lone 1 64 - 2 - Peak 10093 from cnoeabs.peaks (0.89, 7.22, 131.64 ppm; 6.20 A): 4 out of 7 assignments used, quality = 0.92: QG2 VAL 104 + QD PHE 93 OK 70 92 - 76 - ~10235=34, 10246/2.2=27...(9) QD2 LEU 90 + QD PHE 93 OK 50 90 - 56 - 10073=22, 10089/2.4=12...(8) QD1 LEU 90 + QD PHE 93 OK 37 67 - 56 - 2.1/10073=22, ~10089=10...(8) QG2 VAL 29 + QD PHE 93 OK 19 86 - 22 - 10246/2.2=5, 10088/2.4=3...(10) QD2 LEU 38 - QD PHE 93 lone 9 93 - 9 - 11091/9938=2...(5) QD2 LEU 70 - QD PHE 93 poor 7 67 - 11 - 10099/4.4=6, 10088/2.4=1 QD1 LEU 70 - QD PHE 93 poor 6 56 - 11 - 10099/4.4=6, ~10088=1 Peak 10094 from cnoeabs.peaks (0.76, 3.04, 38.99 ppm; 5.71 A): 4 out of 22 assignments used, quality = 0.94: QD1 LEU 82 + HB3 PHE 93 OK 59 81 - 73 - ~9983=37, 11398/2.4=31...(6) QD2 LEU 80 + HB3 PHE 93 OK 55 87 - 63 - 9938/2.4=30, 9934/4.4=16...(12) QD1 LEU 80 + HB3 PHE 93 OK 53 90 - 59 - ~9938=27, 10090/1.8=9...(11) QG1 VAL 107 + HB3 PHE 93 OK 28 100 - 29 - 10298/3.6=9, 7859/4.3=6...(6) QD2 LEU 64 - HB3 PHE 93 OK 20 61 - 33 - 9693/4.4=11, ~4740=10...(6) QD1 ILE 7 - HB2 PHE 51 OK 15 86 - 17 - 9084/2.4=11, ~4603=6 QG2 ILE 54 - HB2 PHE 51 OK 11 50 - 23 - 4603/2.4=10, ~9497=5...(5) QD1 ILE 7 - HB3 PHE 93 lone 8 100 - 8 - 9084/4.4=4, 10090/1.8=1 QD1 LEU 45 - HB2 PHE 51 poor 8 75 - 11 - ~9448=5, 4603/2.4=5 QD2 LEU 14 - HB2 PHE 51 lone 7 87 - 8 - 4603/2.4=2, 3.1/9167=2...(4) QD2 LEU 14 - HB3 PHE 93 lone 7 100 - 7 - 4.3/9159=2, 3.1/9167=1 QG1 VAL 107 - HB2 PHE 51 lone 4 87 - 5 - 4603/2.4=2 QD1 ILE 15 - HB2 PHE 51 lone 4 87 - 5 - 4603/2.4=2, ~9048=1 QG2 VAL 32 - HB3 PHE 93 lone 3 100 - 3 - QD1 ILE 15 - HB3 PHE 93 lone 3 100 - 3 - QG2 VAL 32 - HB2 PHE 51 lone 2 87 - 3 - 4603/2.4=1 QD1 LEU 45 - HB3 PHE 93 lone 2 92 - 2 - QD2 LEU 64 - HB2 PHE 51 lone 2 47 - 4 - ~9689=1 QD1 LEU 80 - HB2 PHE 51 lone 1 72 - 2 - QD2 LEU 80 - HB2 PHE 51 lone 1 70 - 2 - QG2 ILE 54 - HB3 PHE 93 lone 1 65 - 2 - QD1 LEU 82 - HB2 PHE 51 lone 1 64 - 2 - Peak 10101 from cnoeabs.peaks (0.91, 3.62, 60.08 ppm; 3.78 A): 3 out of 6 assignments used, quality = 0.60: QD1 LEU 90 + HA LYS 94 OK 27 100 - 27 - ~10096=5, 10099/3.0=5...(10) QD2 LEU 70 + HA LYS 94 OK 26 100 - 26 - 10099/3.0=4, ~7657=4...(11) QD1 LEU 70 + HA LYS 94 OK 25 100 - 25 - 7657/3.0=6, 10977/3.0=4...(10) QD2 LEU 38 - HA LYS 94 lone 7 73 - 9 - 4.8/2169=3, 10099/3.0=1 QG2 VAL 29 - HA LYS 94 lone 7 94 - 7 - 10099/3.0=1, 10977/3.0=1 HG13 ILE 54 - HA LYS 94 lone 3 98 - 3 - Peak 10102 from cnoeabs.peaks (0.78, 3.62, 60.08 ppm; 3.89 A): 5 out of 10 assignments used, quality = 0.88: QD1 LEU 82 + HA LYS 94 OK 64 100 - 64 - 11491=33, 11394/4.0=11...(10) QD2 LEU 80 + HA LYS 94 OK 34 99 - 34 - 9923/10104=6...(10) QD1 LEU 80 + HA LYS 94 OK 33 99 - 33 - 9924/10125=8, 5502/3.0=6...(9) QD2 LEU 64 + HA LYS 94 OK 15 100 - 15 - 11270/10104=3...(7) QD1 LEU 81 + HA LYS 94 OK 11 94 - 12 - 10100/3.0=2, 3.1/5929=2...(6) QG1 VAL 107 - HA LYS 94 poor 7 70 - 10 - ~7858=3, 7859/3.0=2...(4) QD2 LEU 14 - HA LYS 94 lone 4 70 - 6 - 2.1/5929=1, 3.1/8214=1 QD1 ILE 7 - HA LYS 94 lone 2 84 - 2 - QD1 ILE 15 - HA LYS 94 lone 1 73 - 1 - QG2 VAL 32 - HA LYS 94 lone 1 70 - 1 - Peak 10103 from cnoeabs.peaks (0.68, 3.62, 60.08 ppm; 4.60 A): 1 out of 7 assignments used, quality = 0.88: QG2 ILE 97 + HA LYS 94 OK 88 100 - 89 - 10119=34, 2.1/8215=32...(10) QD1 LEU 55 - HA LYS 94 lone 7 99 - 7 - 10230/10236=3, 3.1/5930=2 QG2 ILE 56 - HA LYS 94 lone 5 77 - 6 - 10947/4.7=3, 10947/4.7=3 QD1 ILE 56 - HA LYS 94 lone 4 65 - 6 - 9550/4.7=2, 9550/4.7=2 QD2 LEU 114 - HA LYS 94 lone 4 94 - 4 - QD1 ILE 116 - HA LYS 94 lone 3 100 - 3 - QD2 LEU 4 - HA LYS 94 lone 1 100 - 1 - Peak 10104 from cnoeabs.peaks (0.37, 3.62, 60.08 ppm; 4.58 A): 1 out of 2 assignments used, quality = 0.90: QD1 ILE 97 + HA LYS 94 OK 90 99 - 90 - 10125=41, 2.1/10122=28...(13) QD2 LEU 68 - HA LYS 94 poor 7 70 - 10 - 11397/11491=3...(4) Peak 10107 from cnoeabs.peaks (2.28, 3.22, 43.41 ppm; 5.47 A): 2 out of 24 assignments used, quality = 0.58: HG3 GLU 91 + HD3 ARG 95 OK 35 98 - 37 - ~11663=16, 11665/2.9=14 HG3 GLU 91 + HD2 ARG 95 OK 35 98 - 37 - ~11663=16, 11665/2.9=14 HG2 GLU 87 - HD3 ARG 95 lone 7 81 - 9 - 11665/2.9=3, ~11665=3 HG3 GLU 87 - HD3 ARG 95 lone 7 81 - 9 - 11665/2.9=3, ~11665=3 HG2 GLU 87 - HD2 ARG 95 lone 7 80 - 9 - 11665/2.9=3, ~11665=3 HG3 GLU 87 - HD2 ARG 95 lone 7 80 - 9 - 11665/2.9=3, ~11665=3 HG3 GLU 92 - HD3 ARG 95 lone 5 73 - 7 - 4.0/10108=4, 5764/5.3=1 HG3 GLU 92 - HD2 ARG 95 lone 5 73 - 7 - 4.0/10108=4, 5764/5.3=1 HG2 GLU 111 - HD3 ARG 95 lone 4 98 - 4 - 11665/2.9=2 HG2 GLU 111 - HD2 ARG 95 lone 4 98 - 4 - 11665/2.9=2 HG3 GLU 111 - HD3 ARG 95 lone 3 87 - 4 - ~11665=1, 11665/2.9=1 HG3 GLU 111 - HD2 ARG 95 lone 3 87 - 4 - ~11665=1, 11665/2.9=1 HB2 MET 121 - HD2 ARG 95 lone 3 94 - 3 - HB2 MET 121 - HD3 ARG 95 lone 3 94 - 3 - HG2 GLU 47 - HD3 ARG 95 lone 3 81 - 4 - 11665/2.9=1 HG2 GLU 47 - HD2 ARG 95 lone 3 80 - 4 - 11665/2.9=1 HG2 GLU 69 - HD3 ARG 95 lone 3 96 - 3 - 11665/2.9=1 HG2 GLU 69 - HD2 ARG 95 lone 3 95 - 3 - 11665/2.9=1 HB2 GLU 37 - HD3 ARG 95 lone 2 87 - 3 - HB2 GLU 37 - HD2 ARG 95 lone 2 87 - 3 - HB3 ASN 8 - HD3 ARG 95 lone 2 96 - 2 - HB3 ASN 8 - HD2 ARG 95 lone 2 95 - 2 - HG2 GLU 89 - HD3 ARG 95 lone 1 65 - 2 - HG2 GLU 89 - HD2 ARG 95 lone 1 65 - 2 - Peak 10108 from cnoeabs.peaks (4.04, 3.22, 43.41 ppm; 4.64 A): 6 out of 26 assignments used, quality = 0.87: HA GLU 92 + HD3 ARG 95 OK 32 100 - 33 - 8202/3.9=12, 8199/5.9=7...(6) HA GLU 92 + HD2 ARG 95 OK 32 100 - 33 - 8202/3.9=12, 8199/5.9=7...(6) HA GLU 66 + HD3 ARG 95 OK 30 94 - 32 - 8202/3.9=8, 8201/3.9=5...(10) HA GLU 66 + HD2 ARG 95 OK 29 94 - 32 - 8202/3.9=8, 8201/3.9=5...(10) HA LYS 40 + HD3 ARG 95 OK 24 84 - 29 - ~7792=5, ~7791=5...(10) HA LYS 40 + HD2 ARG 95 OK 24 84 - 29 - ~7792=5, ~7791=5...(10) HA LYS 123 - HD3 ARG 95 lone 9 92 - 9 - 8202/3.9=2, 8199/5.9=2...(5) HA LYS 123 - HD2 ARG 95 lone 9 92 - 9 - 8202/3.9=2, 8199/5.9=2...(5) HA GLU 119 - HD3 ARG 95 lone 7 96 - 7 - 8203/3.9=1 HA GLU 119 - HD2 ARG 95 lone 7 95 - 7 - 8203/3.9=1 HA GLU 87 - HD3 ARG 95 lone 6 100 - 6 - 11427/2.9=1, 4.0/10107=1 HA GLU 87 - HD2 ARG 95 lone 6 100 - 6 - 11427/2.9=1, 4.0/10107=1 HA GLU 13 - HD3 ARG 95 lone 5 94 - 5 - 8203/3.9=1, 2159/5.9=1 HA GLU 13 - HD2 ARG 95 lone 5 94 - 5 - 8203/3.9=1, 2159/5.9=1 HB3 SER 126 - HD3 ARG 95 lone 5 99 - 5 - HB3 SER 126 - HD2 ARG 95 lone 5 99 - 5 - HB2 SER 126 - HD3 ARG 95 lone 4 87 - 5 - HB2 SER 126 - HD2 ARG 95 lone 4 87 - 5 - HA PHE 120 - HD3 ARG 95 lone 4 84 - 5 - HA PHE 120 - HD2 ARG 95 lone 4 84 - 5 - HA2 GLY 125 - HD3 ARG 95 lone 4 70 - 5 - 11427/2.9=1, ~11427=1 HA2 GLY 125 - HD2 ARG 95 lone 4 69 - 5 - 11427/2.9=1, ~11427=1 HA SER 35 - HD3 ARG 95 lone 4 90 - 4 - 9336/2.9=1 HA SER 35 - HD2 ARG 95 lone 4 89 - 4 - 9336/2.9=1 HA GLU 69 - HD3 ARG 95 lone 1 57 - 2 - HA GLU 69 - HD2 ARG 95 lone 1 57 - 2 - Peak 10111 from cnoeabs.peaks (2.05, 3.94, 62.57 ppm; 5.03 A): 4 out of 34 assignments used, quality = 0.89: HB3 GLU 98 + HA ILE 97 OK 67 99 - 68 - 6215/3.6=28, ~10162=16...(9) HB3 GLN 100 + HA ILE 97 OK 51 100 - 52 - 4.6/10148=14...(11) HB3 MET 67 + HA ILE 97 OK 20 100 - 20 - 9707/4.0=8, 9709/3.2=7...(5) HB3 GLN 100 + HB3 SER 35 OK 17 59 - 30 - 4.6/10165=6, 4.6/10164=6...(7) HB2 GLU 66 - HA ILE 97 lone 9 96 - 9 - ~11066=4, 1655/3.6=3 HB3 MET 67 - HB3 SER 35 poor 7 59 - 11 - 8121/1.8=4, 4.3/4949=3, ~8119=3 HB3 GLN 85 - HA ILE 97 lone 6 96 - 6 - 1655/3.6=2 HB VAL 117 - HB3 SER 35 lone 6 59 - 10 - ~10797=3, ~10798=2...(4) HB2 GLU 92 - HA ILE 97 lone 4 99 - 4 - 1655/3.6=1 HB3 GLU 89 - HA ILE 97 lone 4 96 - 4 - 1655/3.6=1 HB2 GLU 89 - HA ILE 97 lone 4 96 - 4 - 1655/3.6=1 HB2 GLN 28 - HA ILE 97 lone 2 81 - 3 - 4687/10146=1 HB2 GLU 13 - HA ILE 97 lone 2 73 - 3 - HB2 GLU 47 - HA ILE 97 lone 2 96 - 2 - HB3 GLU 98 - HB3 SER 35 lone 2 56 - 3 - 4.3/2176=1 HB VAL 117 - HA ILE 97 lone 2 100 - 2 - HB2 GLU 47 - HB3 SER 35 lone 2 52 - 3 - HG3 GLU 52 - HA ILE 97 lone 2 99 - 2 - HB3 GLU 87 - HA ILE 97 lone 1 96 - 1 - HB2 MET 1 - HA ILE 97 lone 1 65 - 2 - HB2 GLU 48 - HA ILE 97 lone 1 96 - 1 - HB3 GLU 48 - HA ILE 97 lone 1 96 - 1 - HB2 GLU 92 - HB3 SER 35 lone 1 56 - 2 - HB2 GLU 66 - HB3 SER 35 lone 1 52 - 2 - HB3 GLU 89 - HB3 SER 35 lone 1 52 - 2 - HB2 GLU 89 - HB3 SER 35 lone 1 52 - 2 - HB3 GLU 87 - HB3 SER 35 lone 1 52 - 2 - HB3 GLN 85 - HB3 SER 35 lone 1 52 - 1 - HG3 GLU 52 - HB3 SER 35 lone 1 57 - 1 - HB3 GLU 48 - HB3 SER 35 lone 1 52 - 1 - HB2 GLU 48 - HB3 SER 35 lone 1 52 - 1 - HB2 GLN 28 - HB3 SER 35 lone 1 41 - 1 - HB2 MET 1 - HB3 SER 35 lone 0 32 - 1 - HB2 GLU 13 - HB3 SER 35 lone 0 36 - 1 - Peak 10112 from cnoeabs.peaks (2.44, 3.94, 62.57 ppm; 5.78 A): 5 out of 14 assignments used, quality = 0.92: HG3 GLU 98 + HA ILE 97 OK 68 100 - 68 - 1657/3.6=34, 4.9/2176=19...(6) HG2 GLN 100 + HA ILE 97 OK 59 98 - 61 - 3.5/10148=21...(10) HG2 GLN 100 + HB3 SER 35 OK 21 55 - 38 - 3.5/10165=9, 3.5/10148=9...(7) HG2 GLU 37 + HA ILE 97 OK 11 97 - 12 - 1657/3.6=5, 9391/3.0=3 HG3 GLU 69 + HA ILE 97 OK 11 100 - 11 - 5.1/11311=4, 7652/2112=1 HG3 GLU 69 - HB3 SER 35 lone 6 58 - 10 - 5.1/2105=3, 7652/2112=1...(4) HG2 GLU 37 - HB3 SER 35 lone 5 54 - 9 - ~3511=4, 3505/3.0=3 HG2 MET 1 - HA ILE 97 lone 3 98 - 3 - HG3 GLU 98 - HB3 SER 35 lone 3 58 - 5 - 4.9/2176=2 HG2 GLU 91 - HA ILE 97 lone 2 65 - 3 - HG2 MET 1 - HB3 SER 35 lone 1 55 - 2 - HB2 ASP 110 - HA ILE 97 lone 1 61 - 1 - HG2 GLU 91 - HB3 SER 35 lone 1 32 - 2 - HB2 ASP 110 - HB3 SER 35 lone 0 29 - 1 - Peak 10113 from cnoeabs.peaks (2.96, 3.94, 62.57 ppm; 6.20 A): 0 out of 32 assignments used, low quality = 0.23: HE2 LYS 39 - HA ILE 97 OK 13 73 - 17 - ~3608=3, ~3618=3...(7) HE3 LYS 39 - HA ILE 97 OK 11 65 - 17 - ~3608=3, ~3618=3...(7) HE3 LYS 20 - HA ILE 97 lone 6 100 - 6 - HE2 LYS 20 - HA ILE 97 lone 6 100 - 6 - HE3 LYS 43 - HA ILE 97 lone 5 87 - 6 - HE3 LYS 40 - HA ILE 97 lone 5 100 - 5 - ~617=1 HE2 LYS 40 - HA ILE 97 lone 5 99 - 5 - ~617=1 HE3 LYS 73 - HA ILE 97 lone 5 81 - 6 - HE2 LYS 43 - HA ILE 97 lone 4 70 - 6 - HE2 LYS 73 - HA ILE 97 lone 4 61 - 6 - HB3 PHE 51 - HA ILE 97 lone 3 99 - 3 - HB3 ASN 24 - HA ILE 97 lone 2 99 - 2 - HB2 ASN 24 - HA ILE 97 lone 2 99 - 2 - HB2 ASN 24 - HB3 SER 35 lone 2 57 - 4 - HB3 ASN 24 - HB3 SER 35 lone 2 57 - 4 - HE2 LYS 39 - HB3 SER 35 lone 2 36 - 6 - ~9335=3 HE3 LYS 40 - HB3 SER 35 lone 2 58 - 3 - ~9335=2 HE2 LYS 40 - HB3 SER 35 lone 2 56 - 3 - ~9335=2 HD3 ARG 118 - HA ILE 97 lone 2 96 - 2 - HE3 LYS 39 - HB3 SER 35 lone 2 32 - 6 - ~9335=3 HE3 LYS 106 - HA ILE 97 lone 2 92 - 2 - HE2 LYS 106 - HA ILE 97 lone 2 90 - 2 - HE3 LYS 20 - HB3 SER 35 lone 2 59 - 3 - HE2 LYS 20 - HB3 SER 35 lone 2 59 - 3 - HE3 LYS 43 - HB3 SER 35 lone 1 45 - 3 - HE3 LYS 73 - HB3 SER 35 lone 1 41 - 3 - HB3 PHE 51 - HB3 SER 35 lone 1 57 - 2 - HD3 ARG 118 - HB3 SER 35 lone 1 52 - 2 - HE3 LYS 106 - HB3 SER 35 lone 1 49 - 2 - HE2 LYS 106 - HB3 SER 35 lone 1 47 - 2 - HE2 LYS 43 - HB3 SER 35 lone 1 34 - 3 - HE2 LYS 73 - HB3 SER 35 lone 1 29 - 3 - Peak 10114 from cnoeabs.peaks (1.83, 0.68, 18.75 ppm; 3.34 A): 0 out of 10 assignments used, low quality = 0.00: HG LEU 70 - QG2 ILE 97 poor 9 70 - 12 - ~9770=2, ~9769=2...(7) HD2 LYS 123 - QG2 ILE 97 lone 8 87 - 10 - 1.8/11107=3, 11210/10153=3 HB3 LYS 77 - QG2 ILE 97 lone 7 92 - 7 - ~11289=2, ~11288=2, ~11287=2 HB2 LYS 77 - QG2 ILE 97 lone 6 87 - 7 - ~11289=2, ~11288=2, ~11287=2 HB3 ARG 105 - QG2 ILE 97 lone 6 77 - 7 - 3.0/11107=2, 1.8/11015=1 HB ILE 18 - QG2 ILE 97 lone 2 92 - 2 - QE MET 121 - QG2 ILE 97 lone 2 100 - 2 - HB3 LYS 19 - QG2 ILE 97 lone 2 100 - 2 - HB ILE 57 - QG2 ILE 97 lone 2 96 - 2 - HB2 LEU 14 - QG2 ILE 97 lone 1 96 - 1 - Peak 10115 from cnoeabs.peaks (1.93, 0.68, 18.75 ppm; 4.27 A): 7 out of 20 assignments used, quality = 0.93: HB VAL 104 + QG2 ILE 97 OK 59 84 - 71 - 2.1/10230=20, ~10229=18...(12) HB3 LYS 115 + QG2 ILE 97 OK 37 100 - 37 - ~10456=11, ~10131=5...(10) HB2 LYS 115 + QG2 ILE 97 OK 37 99 - 37 - ~10456=11, ~10131=5...(11) HB2 LEU 70 + QG2 ILE 97 OK 26 94 - 28 - 3.0/10114=8, 8140/3.2=5...(9) HB2 LYS 65 + QG2 ILE 97 OK 15 100 - 15 - ~10981=3, ~10124=2...(7) HB3 LYS 65 + QG2 ILE 97 OK 15 100 - 15 - ~10981=3, ~10124=2...(7) HB2 LYS 123 + QG2 ILE 97 OK 15 100 - 15 - 3.8/10114=6, 3.8/11107=3...(4) HB2 LYS 39 - QG2 ILE 97 lone 8 100 - 8 - 3568/4.0=4, ~10127=2 HB3 LYS 123 - QG2 ILE 97 poor 7 61 - 12 - 3.8/10114=6, 3.8/11107=3 HB3 LYS 17 - QG2 ILE 97 lone 7 90 - 8 - 10914=1, 11475/10133=1 HB2 LEU 81 - QG2 ILE 97 lone 6 81 - 8 - ~11608=3, 3.1/10133=3 HB3 GLU 41 - QG2 ILE 97 lone 5 73 - 6 - ~9403=1, 3.0/10117=1 HB2 GLU 41 - QG2 ILE 97 lone 4 70 - 6 - ~9403=1, 3.0/10117=1 HB3 LYS 39 - QG2 ILE 97 lone 4 77 - 5 - 3578/4.0=3 HB2 LEU 127 - QG2 ILE 97 lone 3 100 - 3 - 4651/10153=2 HB3 MET 42 - QG2 ILE 97 lone 2 70 - 3 - 3.0/10118=1 HB3 LYS 40 - QG2 ILE 97 lone 2 87 - 2 - 1241/4.0=1 HG2 MET 121 - QG2 ILE 97 lone 2 73 - 2 - 3.4/10114=1 HB3 GLU 52 - QG2 ILE 97 lone 1 61 - 1 - HB ILE 15 - QG2 ILE 97 lone 1 65 - 1 - Peak 10116 from cnoeabs.peaks (2.36, 0.68, 18.75 ppm; 5.57 A): 2 out of 5 assignments used, quality = 0.65: HG2 GLU 98 + QG2 ILE 97 OK 53 84 - 64 - 4.1/10162=27...(7) HG3 GLN 100 + QG2 ILE 97 OK 25 84 - 30 - ~10112=8, ~10126=6...(6) HG2 GLN 25 - QG2 ILE 97 poor 9 61 - 15 - 1656/4.1=6, 3.5/10151=3...(5) HB3 TYR 27 - QG2 ILE 97 lone 7 96 - 7 - 11716/2.1=1, ~4585=1, 1656/4.1=1 HG2 GLU 13 - QG2 ILE 97 lone 4 100 - 4 - 1656/4.1=1 Peak 10117 from cnoeabs.peaks (2.47, 0.68, 18.75 ppm; 3.79 A): 1 out of 5 assignments used, quality = 0.79: HB2 TYR 102 + QG2 ILE 97 OK 79 98 - 81 - 1.8/10118=30...(13) HG3 GLU 119 - QG2 ILE 97 lone 4 97 - 4 - 1.8/11200=2 HG3 GLU 41 - QG2 ILE 97 lone 3 97 - 3 - ~9403=1 HB3 ASP 31 - QG2 ILE 97 lone 3 100 - 3 - 3.0/10149=1 HB2 ASP 31 - QG2 ILE 97 lone 3 100 - 3 - 3.0/10149=1 Peak 10118 from cnoeabs.peaks (2.75, 0.68, 18.75 ppm; 4.09 A): 1 out of 5 assignments used, quality = 0.87: HB3 TYR 102 + QG2 ILE 97 OK 87 100 - 87 - 1.8/10117=36...(14) HG3 MET 42 - QG2 ILE 97 lone 4 90 - 4 - ~9424=1 HB3 ASN 11 - QG2 ILE 97 lone 2 98 - 2 - HE2 LYS 2 - QG2 ILE 97 lone 1 96 - 1 - HB2 ASP 60 - QG2 ILE 97 lone 1 77 - 1 - Peak 10119 from cnoeabs.peaks (3.61, 0.68, 18.75 ppm; 5.24 A): 1 out of 1 assignment used, quality = 0.94: HA LYS 94 + QG2 ILE 97 OK 94 100 - 94 - 8215/2.1=40, 10103=39...(11) Peak 10121 from cnoeabs.peaks (3.61, 1.00, 27.27 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.92: HA LYS 94 + HG12 ILE 97 OK 92 98 - 94 - 10125/2.1=48...(8) Peak 10122 from cnoeabs.peaks (3.62, 0.93, 27.27 ppm; 5.31 A): 1 out of 2 assignments used, quality = 0.87: HA LYS 94 + HG13 ILE 97 OK 87 100 - 87 - 10104/2.1=42...(8) HA LYS 94 - HG13 ILE 54 lone 2 51 - 3 - Peak 10124 from cnoeabs.peaks (3.78, 0.36, 11.90 ppm; 4.96 A): 4 out of 5 assignments used, quality = 0.78: HA LEU 68 + QD1 ILE 97 OK 51 99 - 52 - 4.0/11641=20...(11) HA LYS 115 + QD1 ILE 97 OK 38 73 - 52 - 10456=20, 3.9/10131=10...(12) HA LYS 65 + QD1 ILE 97 OK 20 92 - 22 - 4.8/10128=3, 4.8/10128=3...(8) HB2 SER 58 + QD1 ILE 97 OK 11 99 - 11 - 9784/9776=5 HA ALA 113 - QD1 ILE 97 lone 4 73 - 6 - 2.1/10130=2 Peak 10125 from cnoeabs.peaks (3.61, 0.36, 11.90 ppm; 4.63 A): 1 out of 1 assignment used, quality = 0.77: HA LYS 94 + QD1 ILE 97 OK 77 90 - 86 - 10104=39, 10119/3.0=24...(13) Peak 10126 from cnoeabs.peaks (2.45, 0.36, 11.90 ppm; 6.20 A): 2 out of 8 assignments used, quality = 0.72: HG3 GLU 98 + QD1 ILE 97 OK 58 90 - 65 - 5.1/627=29, ~10116=18...(6) HG2 GLN 100 + QD1 ILE 97 OK 32 97 - 33 - 3.5/10825=11, ~10116=8...(7) HG3 GLU 41 - QD1 ILE 97 poor 9 90 - 10 - 9402/9776=2, 3.0/10127=2...(4) HG2 GLU 37 - QD1 ILE 97 lone 9 98 - 9 - 9391/4.7=2, 1657/627=2...(4) HG3 GLU 119 - QD1 ILE 97 lone 7 90 - 8 - ~11200=4, ~11201=1 HB2 ASP 31 - QD1 ILE 97 lone 5 61 - 8 - ~10149=2, ~10117=1 HG3 GLU 69 - QD1 ILE 97 lone 4 90 - 5 - 10112/4.2=1 HG2 MET 1 - QD1 ILE 97 lone 3 61 - 4 - Peak 10127 from cnoeabs.peaks (1.96, 0.36, 11.90 ppm; 4.48 A): 4 out of 13 assignments used, quality = 0.83: HB VAL 104 + QD1 ILE 97 OK 72 94 - 76 - 2.1/10229=35, 10224=17...(12) HB3 LYS 96 + QD1 ILE 97 OK 22 73 - 30 - 4.6/1651=18, 2.9/10129=5...(5) HB3 LYS 39 + QD1 ILE 97 OK 13 97 - 13 - 4.0/1651=7, 3578/4.7=4 HB2 LEU 70 + QD1 ILE 97 OK 13 84 - 15 - 8140/4.2=4, ~10114=4...(4) HB2 GLU 41 - QD1 ILE 97 lone 6 99 - 6 - 3.0/10126=1 HB3 GLU 41 - QD1 ILE 97 lone 6 98 - 6 - 3.0/10126=1 HB3 GLU 128 - QD1 ILE 97 lone 3 100 - 3 - 4663/10140=1 HB3 MET 42 - QD1 ILE 97 lone 3 99 - 3 - HB3 ARG 95 - QD1 ILE 97 lone 3 77 - 4 - 614/4.7=2 HB VAL 29 - QD1 ILE 97 lone 3 100 - 3 - HB3 LYS 40 - QD1 ILE 97 lone 3 92 - 3 - 1242/4.7=1 HB3 GLU 52 - QD1 ILE 97 lone 2 100 - 2 - HB3 GLU 21 - QD1 ILE 97 lone 1 65 - 1 - Peak 10128 from cnoeabs.peaks (1.65, 0.36, 11.90 ppm; 4.42 A): 5 out of 13 assignments used, quality = 0.81: HG LEU 64 + QD1 ILE 97 OK 36 97 - 37 - 2.1/11270=14, ~10134=6...(9) HD2 LYS 115 + QD1 ILE 97 OK 33 97 - 34 - 4.9/10456=15...(6) HD3 LYS 115 + QD1 ILE 97 OK 32 92 - 34 - 4.9/10456=15...(6) HD3 LYS 65 + QD1 ILE 97 OK 19 100 - 19 - ~10981=5, 4.8/10124=3...(8) HD2 LYS 65 + QD1 ILE 97 OK 19 99 - 19 - ~10981=5, 4.8/10124=3...(8) HB2 ARG 30 - QD1 ILE 97 lone 7 99 - 7 - ~9256=2, 9259/3.0=1...(4) HB ILE 116 - QD1 ILE 97 lone 4 61 - 7 - 8253/10456=1 HG LEU 114 - QD1 ILE 97 lone 4 100 - 4 - HB ILE 5 - QD1 ILE 97 lone 3 100 - 3 - 10938/9859=1 HG LEU 90 - QD1 ILE 97 lone 2 92 - 3 - 4740/11312=1 HB2 GLU 52 - QD1 ILE 97 lone 2 97 - 2 - HD3 LYS 49 - QD1 ILE 97 lone 1 99 - 1 - HD2 LYS 49 - QD1 ILE 97 lone 1 99 - 1 - Peak 10129 from cnoeabs.peaks (1.56, 0.36, 11.90 ppm; 4.67 A): 6 out of 13 assignments used, quality = 0.93: HB VAL 78 + QD1 ILE 97 OK 65 96 - 68 - 2.1/9859=44, 2.1/9865=21...(8) HG2 LYS 115 + QD1 ILE 97 OK 48 99 - 48 - 3.9/10456=20...(9) HG3 LYS 96 + QD1 ILE 97 OK 34 99 - 34 - 5.0/1651=18, 2.9/10127=5...(5) HB3 LEU 70 + QD1 ILE 97 OK 19 99 - 20 - 8142/4.2=6, ~10114=4...(5) HG2 LYS 65 + QD1 ILE 97 OK 19 73 - 26 - ~10981=7, 3.9/10124=4...(8) HG2 LYS 123 + QD1 ILE 97 OK 11 92 - 12 - ~10114=4, ~11107=2...(4) HG LEU 55 - QD1 ILE 97 lone 10 100 - 10 - 10227/10229=4, 3.0/10131=2 HG12 ILE 3 - QD1 ILE 97 lone 5 99 - 5 - 9023/10141=1, 4689/10200=1 HG2 LYS 44 - QD1 ILE 97 lone 4 70 - 6 - 7799/4.7=2, ~11495=1 HG12 ILE 116 - QD1 ILE 97 lone 4 61 - 6 - HD3 LYS 106 - QD1 ILE 97 lone 2 100 - 2 - HD2 LYS 106 - QD1 ILE 97 lone 2 99 - 2 - QB ALA 46 - QD1 ILE 97 lone 2 77 - 2 - Peak 10130 from cnoeabs.peaks (1.42, 0.36, 11.90 ppm; 5.81 A): 5 out of 11 assignments used, quality = 0.78: HG LEU 80 + QD1 ILE 97 OK 54 65 - 82 - 2.1/9924=48, 2.1/9923=29...(10) HG2 LYS 96 + QD1 ILE 97 OK 30 70 - 43 - 5.0/1651=26, 1.8/10129=7...(5) HB2 LEU 4 + QD1 ILE 97 OK 13 81 - 16 - 11528/9859=5...(4) HB3 LEU 4 + QD1 ILE 97 OK 13 81 - 16 - 11528/9859=5...(4) HG3 LYS 17 + QD1 ILE 97 OK 11 98 - 11 - 10918/9776=2...(6) QB ALA 113 - QD1 ILE 97 poor 10 84 - 12 - 2.1/10124=2...(4) HG12 ILE 56 - QD1 ILE 97 lone 8 99 - 8 - 4690/10200=4 HG3 LYS 44 - QD1 ILE 97 lone 6 77 - 8 - 7798/4.7=3, 11495/2.1=1 HB3 GLN 83 - QD1 ILE 97 lone 5 100 - 5 - 11495/2.1=3 HB3 LEU 63 - QD1 ILE 97 lone 5 100 - 5 - HB3 LYS 61 - QD1 ILE 97 lone 3 94 - 4 - Peak 10131 from cnoeabs.peaks (1.32, 0.36, 11.90 ppm; 5.79 A): 2 out of 3 assignments used, quality = 0.71: HG3 LYS 94 + QD1 ILE 97 OK 49 99 - 49 - 4.0/10125=39, ~11331=4...(7) HG3 LYS 115 + QD1 ILE 97 OK 43 73 - 58 - 3.9/10456=30...(10) HB3 LEU 55 - QD1 ILE 97 lone 9 99 - 9 - 10228/10229=3...(4) Peak 10132 from cnoeabs.peaks (0.78, 0.36, 11.90 ppm; 3.13 A): 4 out of 10 assignments used, quality = 0.93: QD2 LEU 80 + QD1 ILE 97 OK 60 100 - 60 - 9923=22, 2.1/9924=22...(16) QD1 LEU 80 + QD1 ILE 97 OK 56 100 - 56 - 9924=25, 2.1/9923=16...(15) QD1 LEU 82 + QD1 ILE 97 OK 43 100 - 43 - 11397=16, 2.1/11396=15...(8) QD2 LEU 64 + QD1 ILE 97 OK 26 96 - 27 - 11270=9, 2.1/10128=4...(9) QD1 LEU 81 - QD1 ILE 97 poor 9 81 - 11 - 11608=4, 10133/3.0=1 QD1 ILE 7 - QD1 ILE 97 lone 5 96 - 5 - 11581/9865=2 QG2 VAL 32 - QD1 ILE 97 lone 1 87 - 2 - QG1 VAL 107 - QD1 ILE 97 lone 1 87 - 1 - QD2 LEU 14 - QD1 ILE 97 lone 1 87 - 1 - QD1 ILE 15 - QD1 ILE 97 lone 1 90 - 1 - Peak 10133 from cnoeabs.peaks (0.79, 0.68, 18.75 ppm; 3.35 A): 5 out of 7 assignments used, quality = 0.83: QD2 LEU 80 + QG2 ILE 97 OK 42 87 - 48 - 9923/3.0=12, ~9924=12...(14) QD1 LEU 80 + QG2 ILE 97 OK 40 84 - 48 - 9924/3.0=17, ~9923=7...(14) QD1 LEU 82 + QG2 ILE 97 OK 30 92 - 32 - 11397/3.0=13, ~11396=9...(5) QD2 LEU 64 + QG2 ILE 97 OK 23 99 - 23 - 11270/3.0=8, ~10134=4...(7) QD1 LEU 81 + QG2 ILE 97 OK 11 100 - 11 - 11608/3.0=5, 9765/11496=1 QD1 LEU 114 - QG2 ILE 97 lone 2 70 - 3 - 4.9/724=1 QG1 VAL 29 - QG2 ILE 97 lone 1 87 - 2 - Peak 10134 from cnoeabs.peaks (0.81, 1.81, 37.21 ppm; 4.81 A): 3 out of 7 assignments used, quality = 0.69: QD2 LEU 82 + HB ILE 97 OK 37 77 - 48 - 11396/3.2=20, ~11397=18...(6) QD1 LEU 64 + HB ILE 97 OK 35 99 - 35 - ~11270=9, 11269/3.2=8...(8) QG2 ILE 71 + HB ILE 97 OK 25 97 - 26 - ~9776=18, ~11643=4, ~9783=4 QD1 LEU 114 - HB ILE 97 lone 2 99 - 2 - QG1 VAL 29 - HB ILE 97 lone 2 92 - 2 - QD1 LEU 74 - HB ILE 97 lone 2 97 - 2 - QD2 LEU 74 - HB ILE 97 lone 1 94 - 1 - Peak 10135 from cnoeabs.peaks (4.34, 0.68, 18.75 ppm; 5.19 A): 3 out of 5 assignments used, quality = 0.93: HA GLU 98 + QG2 ILE 97 OK 88 100 - 88 - 10162=39, ~623=25...(14) HA SER 99 + QG2 ILE 97 OK 29 99 - 30 - 8211/4.0=13, ~2176=13...(4) HA PHE 93 + QG2 ILE 97 OK 21 100 - 21 - 10138/3.0=10, 8211/4.0=8 HA GLN 85 - QG2 ILE 97 lone 7 99 - 7 - 10138/3.0=1, 10238/10230=1 HB THR 9 - QG2 ILE 97 lone 2 70 - 3 - Peak 10138 from cnoeabs.peaks (4.33, 0.36, 11.90 ppm; 5.72 A): 2 out of 6 assignments used, quality = 0.96: HA GLU 98 + QD1 ILE 97 OK 87 100 - 87 - 10162/3.0=36, 3.0/627=33...(9) HA PHE 93 + QD1 ILE 97 OK 67 97 - 69 - 3.7/11312=38...(7) HA SER 99 - QD1 ILE 97 OK 23 92 - 25 - 8211/4.7=13, 10135/3.0=8...(4) HA GLN 85 - QD1 ILE 97 lone 8 100 - 8 - 10238/10229=3, 10135/3.0=2 HB THR 9 - QD1 ILE 97 lone 3 87 - 4 - HA LYS 49 - QD1 ILE 97 lone 2 77 - 2 - Peak 10139 from cnoeabs.peaks (6.72, 0.36, 11.90 ppm; 5.84 A): 2 out of 3 assignments used, quality = 0.97: QE TYR 102 + QD1 ILE 97 OK 92 99 - 93 - 2.2/10200=36...(17) QD PHE 79 + QD1 ILE 97 OK 70 100 - 70 - ~10153=26, 2.2/10141=21...(15) QE TYR 76 - QD1 ILE 97 OK 22 98 - 23 - 9801/9776=6, 9873/9859=5...(8) Peak 10140 from cnoeabs.peaks (6.98, 0.36, 11.90 ppm; 4.92 A): 2 out of 2 assignments used, quality = 0.98: QD TYR 102 + QD1 ILE 97 OK 96 100 - 96 - 10152/3.0=29, 10200=25...(22) HZ PHE 79 + QD1 ILE 97 OK 62 97 - 64 - ~10153=19, 2.2/10141=19...(11) Peak 10141 from cnoeabs.peaks (7.09, 0.36, 11.90 ppm; 4.28 A): 2 out of 2 assignments used, quality = 0.82: HZ PHE 93 + QD1 ILE 97 OK 65 90 - 73 - 2.2/10142=31...(11) QE PHE 79 + QD1 ILE 97 OK 49 100 - 49 - 10153/3.0=13...(11) Peak 10142 from cnoeabs.peaks (7.16, 0.36, 11.90 ppm; 4.17 A): 0 out of 2 assignments used, low quality = 0.41: QE PHE 93 - QD1 ILE 97 OK 41 61 - 67 - 2.2/11312=27...(9) QE PHE 120 - QD1 ILE 97 poor 7 65 - 11 - 9934/9923=2...(4) Peak 10143 from cnoeabs.peaks (7.13, 0.93, 27.27 ppm; 6.20 A): 2 out of 6 assignments used, quality = 0.79: QE PHE 93 + HG13 ILE 97 OK 76 90 - 85 - ~11312=39, 4678/1.8=37...(6) QD PHE 51 + HG13 ILE 54 OK 12 52 - 24 - 4603/3.2=12, ~9497=6...(4) QE PHE 120 - HG13 ILE 54 poor 5 39 - 13 - 11357/2.1=3, ~4709=2...(6) QE PHE 120 - HG13 ILE 97 lone 4 87 - 5 - ~4714=1, 4728/2.9=1 QD PHE 51 - HG13 ILE 97 lone 2 100 - 2 - QE PHE 93 - HG13 ILE 54 lone 1 41 - 3 - Peak 10144 from cnoeabs.peaks (7.19, 1.00, 27.27 ppm; 6.20 A): 0 out of 2 assignments used, low quality = 0.00: HE22 GLN 83 - HG12 ILE 97 lone 4 84 - 5 - 4.4/11495=3 HE21 GLN 83 - HG12 ILE 97 lone 4 81 - 5 - 4.4/11495=3 Peak 10145 from cnoeabs.peaks (6.97, 1.81, 37.21 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.95: QD TYR 102 + HB ILE 97 OK 91 92 - 99 - ~10118=38, ~10117=37...(18) HZ PHE 79 + HB ILE 97 OK 52 73 - 71 - ~10153=34, ~10141=15...(8) Peak 10146 from cnoeabs.peaks (6.97, 3.94, 62.57 ppm; 5.64 A): 2 out of 4 assignments used, quality = 0.90: QD TYR 102 + HA ILE 97 OK 84 92 - 92 - 10152/3.2=28, ~10118=28...(14) HZ PHE 79 + HA ILE 97 OK 39 73 - 53 - ~10153=24, 10152/3.2=13...(5) QD TYR 102 - HB3 SER 35 lone 2 49 - 5 - 10892/11120=1, 10891/11121=1 HZ PHE 79 - HB3 SER 35 lone 1 36 - 2 - Peak 10148 from cnoeabs.peaks (7.28, 3.94, 62.57 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.62: HE21 GLN 100 + HA ILE 97 OK 52 99 - 53 - 1.7/10165=21, 10164=12...(7) HE21 GLN 100 + HB3 SER 35 OK 22 56 - 39 - 1.7/10165=12, 10164=11...(7) Peak 10149 from cnoeabs.peaks (5.22, 0.68, 18.75 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.84: HA VAL 104 + QG2 ILE 97 OK 84 97 - 86 - ~10229=30, 3.0/10223=25...(13) HA ASP 31 - QG2 ILE 97 lone 8 90 - 9 - 3.0/10117=2, 3.0/10117=2 Peak 10150 from cnoeabs.peaks (6.71, 0.68, 18.75 ppm; 4.80 A): 2 out of 3 assignments used, quality = 0.94: QE TYR 102 + QG2 ILE 97 OK 89 99 - 90 - 2.2/10152=32...(13) QD PHE 79 + QG2 ILE 97 OK 51 94 - 55 - 2.2/10153=28...(7) QE TYR 76 - QG2 ILE 97 lone 9 99 - 9 - 4632/11496=3...(3) Peak 10151 from cnoeabs.peaks (6.89, 0.68, 18.75 ppm; 5.09 A): 1 out of 5 assignments used, quality = 0.78: H TYR 102 + QG2 ILE 97 OK 78 99 - 78 - 4.0/10118=33...(7) HE22 GLN 25 - QG2 ILE 97 lone 7 92 - 8 - 11168/10162=4, 3.5/10116=2 HE22 GLN 85 - QG2 ILE 97 lone 3 94 - 4 - 5.3/10135=1 HE22 GLN 62 - QG2 ILE 97 lone 3 99 - 3 - HD22 ASN 50 - QG2 ILE 97 lone 2 96 - 2 - Peak 10152 from cnoeabs.peaks (6.98, 0.68, 18.75 ppm; 3.75 A): 2 out of 2 assignments used, quality = 0.92: QD TYR 102 + QG2 ILE 97 OK 87 100 - 87 - 4693=28, 2.5/10117=27...(17) HZ PHE 79 + QG2 ILE 97 OK 39 97 - 41 - 2.2/10153=15...(7) Peak 10153 from cnoeabs.peaks (7.11, 0.68, 18.75 ppm; 5.59 A): 1 out of 2 assignments used, quality = 0.61: QE PHE 79 + QG2 ILE 97 OK 61 92 - 67 - 2.2/10150=16...(11) QD PHE 51 - QG2 ILE 97 lone 2 70 - 3 - Peak 10157 from cnoeabs.peaks (8.79, 0.93, 27.27 ppm; 5.95 A): 0 out of 1 assignment used, low quality = 0.33: H ILE 54 - HG13 ILE 54 OK 33 33 - 100 - 4.6=100 Peak 10159 from cnoeabs.peaks (7.93, 4.34, 58.95 ppm; 5.64 A): 0 out of 6 assignments used, low quality = 0.38: H GLY 101 - HA GLU 98 OK 29 90 - 33 - 4.6/10166=26, 642/4.1=6 H GLU 91 - HA GLU 98 OK 13 98 - 13 - 1934/3.6=5, 4.6/10161=2...(4) HD21 ASN 33 - HA GLU 98 lone 2 99 - 2 - H GLY 75 - HA GLU 98 lone 1 94 - 1 - H GLY 125 - HA GLU 98 lone 1 77 - 2 - H GLU 119 - HA GLU 98 lone 1 73 - 1 - Peak 10160 from cnoeabs.peaks (2.53, 4.34, 58.95 ppm; 4.78 A): 0 out of 2 assignments used, low quality = 0.21: HG3 GLN 25 - HA GLU 98 OK 21 81 - 27 - 3.5/11168=10...(4) HG3 GLN 122 - HA GLU 98 lone 2 90 - 2 - Peak 10161 from cnoeabs.peaks (0.89, 4.34, 58.95 ppm; 4.09 A): 1 out of 8 assignments used, quality = 0.71: QG2 VAL 104 + HA GLU 98 OK 71 100 - 71 - 11510/3.0=20, 11411=17...(12) QD2 LEU 38 - HA GLU 98 lone 9 100 - 8 - 11404/2.9=2, 9384/4.1=2 QD2 LEU 90 - HA GLU 98 lone 6 99 - 6 - 4.6/10159=4 QG1 VAL 32 - HA GLU 98 lone 4 61 - 7 - ~9291=2, 9367/4.1=2 QD1 LEU 90 - HA GLU 98 lone 4 70 - 6 - 4.6/10159=4 QG2 VAL 107 - HA GLU 98 lone 4 65 - 5 - 10296/3.6=3 QG2 VAL 29 - HA GLU 98 lone 2 92 - 2 - QD2 LEU 70 - HA GLU 98 lone 1 70 - 2 - Peak 10162 from cnoeabs.peaks (0.67, 4.34, 58.95 ppm; 4.81 A): 1 out of 7 assignments used, quality = 0.75: QG2 ILE 97 + HA GLU 98 OK 75 94 - 80 - ~623=22, 10135=22...(14) QD1 LEU 55 - HA GLU 98 lone 3 90 - 4 - 10230/10238=2 QD1 ILE 71 - HA GLU 98 lone 3 61 - 5 - 9776/10138=3 QD1 ILE 56 - HA GLU 98 lone 2 87 - 3 - 9549/4.1=2 QD2 LEU 4 - HA GLU 98 lone 2 99 - 2 - QD1 ILE 116 - HA GLU 98 lone 2 97 - 2 - QD2 LEU 114 - HA GLU 98 lone 1 100 - 1 - Peak 10163 from cnoeabs.peaks (7.82, 4.00, 62.68 ppm; 6.20 A): 4 out of 8 assignments used, quality = 0.72: H ILE 97 + HB3 SER 99 OK 39 81 - 49 - 3.6/8228=21, 2177/4.0=16...(5) H ILE 97 + HB2 SER 99 OK 39 81 - 49 - 3.6/8228=21, 2177/4.0=16...(5) H LYS 39 + HB2 SER 99 OK 13 87 - 15 - 2177/4.0=7, 8211/3.0=4 H LYS 39 + HB3 SER 99 OK 13 87 - 15 - 2177/4.0=7, 8211/3.0=4 H VAL 78 - HB3 SER 99 lone 5 84 - 5 - 2177/4.0=2, 8211/3.0=1 H VAL 78 - HB2 SER 99 lone 5 84 - 5 - 2177/4.0=2, 8211/3.0=1 H GLU 66 - HB2 SER 99 lone 3 81 - 4 - 2091/4.5=1 H GLU 66 - HB3 SER 99 lone 3 81 - 4 - 2091/4.5=1 Peak 10171 from cnoeabs.peaks (0.68, 2.47, 39.05 ppm; 4.20 A): 5 out of 7 assignments used, quality = 0.94: QG2 ILE 97 + HB2 TYR 102 OK 89 98 - 90 - 10117=40, 10118/1.8=35...(13) QD2 LEU 4 + HB2 TYR 102 OK 23 100 - 23 - 4693/2.5=7, 10177/1.8=5...(6) QD1 ILE 56 + HB2 TYR 102 OK 13 77 - 17 - ~4690=6, ~4693=3...(6) QG2 ILE 56 + HB2 TYR 102 OK 12 65 - 19 - 4693/2.5=5, ~4690=4...(7) QD1 LEU 55 + HB2 TYR 102 OK 12 96 - 12 - 4693/2.5=3, 10177/1.8=3...(7) QD1 ILE 116 - HB2 TYR 102 lone 6 99 - 6 - 10177/1.8=1, 4693/2.5=1 QD2 LEU 114 - HB2 TYR 102 lone 3 98 - 3 - Peak 10172 from cnoeabs.peaks (0.77, 2.47, 39.05 ppm; 5.84 A): 2 out of 11 assignments used, quality = 0.95: QD2 LEU 80 + HB2 TYR 102 OK 77 99 - 78 - ~11694=30, ~9935=28...(9) QD1 LEU 80 + HB2 TYR 102 OK 77 100 - 77 - 11694/1.8=39...(7) QD1 LEU 82 - HB2 TYR 102 OK 19 98 - 19 - 11397/10174=10...(4) QD2 LEU 64 - HB2 TYR 102 OK 16 90 - 18 - 4692/2.5=5...(5) QD1 ILE 7 - HB2 TYR 102 OK 12 99 - 12 - 11581/11649=4...(3) QG1 VAL 107 - HB2 TYR 102 lone 6 94 - 6 - ~11670=2, 2.1/11669=1 QD1 LEU 81 - HB2 TYR 102 lone 6 70 - 8 - 4692/2.5=3, 10176/1.8=2 QD2 LEU 14 - HB2 TYR 102 lone 5 94 - 5 - ~10770=1 QD1 LEU 45 - HB2 TYR 102 lone 5 65 - 7 - ~9438=2, 9445/4.4=2, 9439/1.8=1 QD1 ILE 15 - HB2 TYR 102 lone 5 96 - 5 - QG2 VAL 32 - HB2 TYR 102 lone 4 94 - 5 - Peak 10174 from cnoeabs.peaks (0.36, 2.47, 39.05 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.96: QD1 ILE 97 + HB2 TYR 102 OK 96 100 - 96 - 3.0/10117=41...(14) Peak 10175 from cnoeabs.peaks (1.55, 2.75, 39.05 ppm; 6.20 A): 2 out of 12 assignments used, quality = 0.93: HB VAL 78 + HB3 TYR 102 OK 90 99 - 91 - 9857=41, 9872/2.5=35...(9) HG12 ILE 3 + HB3 TYR 102 OK 37 94 - 39 - ~9019=11, ~9027=9...(7) HG LEU 55 - HB3 TYR 102 OK 15 81 - 19 - 2.1/10177=4, ~4693=4...(6) QB ALA 46 - HB3 TYR 102 OK 14 100 - 14 - 9452/4.4=9, 9457/1.8=3 HB3 LEU 70 - HB3 TYR 102 poor 9 65 - 14 - 3.1/11369=5, ~4691=3...(4) HD2 LYS 106 - HB3 TYR 102 lone 5 94 - 5 - ~4690=1 HD3 LYS 106 - HB3 TYR 102 lone 5 92 - 5 - ~4690=1 HG2 LYS 115 - HB3 TYR 102 lone 5 94 - 5 - 10129/10178=1 HG2 LYS 65 - HB3 TYR 102 lone 3 100 - 3 - HG3 LYS 96 - HB3 TYR 102 lone 3 65 - 5 - 4689/2.5=1 HD2 LYS 94 - HB3 TYR 102 lone 2 77 - 2 - HD3 LYS 94 - HB3 TYR 102 lone 2 77 - 2 - Peak 10176 from cnoeabs.peaks (0.78, 2.75, 39.05 ppm; 4.83 A): 4 out of 10 assignments used, quality = 0.92: QD1 LEU 80 + HB3 TYR 102 OK 67 100 - 68 - 11694=33, 9935/2.5=28...(8) QD2 LEU 80 + HB3 TYR 102 OK 67 100 - 67 - 2.1/11694=28, ~9935=20...(10) QD2 LEU 64 + HB3 TYR 102 OK 15 97 - 15 - 4692/2.5=5...(6) QD1 LEU 82 + HB3 TYR 102 OK 13 100 - 13 - 11397/10178=4...(4) QD1 ILE 7 - HB3 TYR 102 lone 8 94 - 8 - 4692/2.5=3, 11617/9857=3 QD1 LEU 81 - HB3 TYR 102 lone 7 84 - 9 - 4692/2.5=3, 11608/10178=3 QG1 VAL 107 - HB3 TYR 102 lone 4 84 - 4 - 2.1/11670=1 QD2 LEU 14 - HB3 TYR 102 lone 3 84 - 4 - QD1 ILE 15 - HB3 TYR 102 lone 3 87 - 3 - QG2 VAL 32 - HB3 TYR 102 lone 2 84 - 3 - Peak 10177 from cnoeabs.peaks (0.68, 2.75, 39.05 ppm; 4.25 A): 2 out of 7 assignments used, quality = 0.94: QG2 ILE 97 + HB3 TYR 102 OK 92 100 - 92 - 10118=46, 10117/1.8=37...(14) QD2 LEU 4 + HB3 TYR 102 OK 24 100 - 24 - 4693/2.5=7, 10171/1.8=6...(6) QG2 ILE 56 - HB3 TYR 102 OK 16 81 - 19 - 4693/2.5=5, ~4690=4...(7) QD1 LEU 55 - HB3 TYR 102 OK 13 99 - 13 - 4693/2.5=3, 10171/1.8=3...(7) QD1 ILE 56 - HB3 TYR 102 OK 11 61 - 18 - ~4690=6, 10171/1.8=3...(6) QD1 ILE 116 - HB3 TYR 102 lone 6 100 - 6 - 10171/1.8=2, 4693/2.5=1 QD2 LEU 114 - HB3 TYR 102 lone 3 92 - 3 - Peak 10178 from cnoeabs.peaks (0.37, 2.75, 39.05 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.98: QD1 ILE 97 + HB3 TYR 102 OK 93 96 - 97 - 3.0/10118=45...(15) QD2 LEU 68 + HB3 TYR 102 OK 70 84 - 84 - ~4695=42, ~9744=32...(9) Peak 10182 from cnoeabs.peaks (0.68, 6.98, 132.43 ppm; 4.95 A): 2 out of 7 assignments used, quality = 0.98: QG2 ILE 97 + QD TYR 102 OK 97 100 - 97 - 10118/2.5=40...(17) QD2 LEU 4 + QD TYR 102 OK 49 100 - 49 - 9040/2.2=10, 3.1/4690=8...(13) QG2 ILE 56 - QD TYR 102 OK 30 81 - 37 - 3.2/4690=10, 4630/2.2=4...(15) QD1 ILE 56 - QD TYR 102 OK 22 61 - 37 - 2.1/4690=12, ~4628=5...(13) QD1 LEU 55 - QD TYR 102 OK 22 99 - 22 - 10177/2.5=3, 10171/2.5=3...(11) QD1 ILE 116 - QD TYR 102 lone 9 100 - 9 - 10171/2.5=2, 10177/2.5=2...(4) QD2 LEU 114 - QD TYR 102 lone 5 92 - 5 - Peak 10185 from cnoeabs.peaks (2.21, 6.71, 118.26 ppm; 5.22 A): 3 out of 18 assignments used, quality = 0.91: HB2 GLN 100 + QE TYR 102 OK 80 98 - 81 - 10889=37, 10892/2.2=33...(6) HB3 MET 1 + QE TYR 76 OK 37 77 - 48 - 3.0/10715=28, ~10720=24 HG3 GLN 28 + QE TYR 102 OK 29 98 - 29 - ~4686=13, ~4687=7...(4) HB2 MET 67 - QE TYR 102 lone 10 99 - 10 - 1.8/4620=3, ~4687=2, 9780/9801=1 HB2 MET 42 - QE TYR 76 poor 10 59 - 16 - 4.2/9409=10, 9418/9445=2 HB2 MET 67 - QE TYR 76 lone 8 84 - 10 - 9780/9801=4, 1.8/4620=2 HB2 MET 42 - QE TYR 102 lone 6 75 - 8 - 4.2/9409=5, 3.0/4607=1 HB2 GLN 83 - QE TYR 102 lone 6 97 - 6 - ~4690=2, 4686/2.2=1, 1.8/4624=1 HB3 MET 1 - QE TYR 102 lone 4 94 - 5 - 3.0/10715=3 HB2 GLN 100 - QE TYR 76 lone 4 83 - 5 - 10889=2, 1.8/10890=1 HB2 GLU 69 - QE TYR 102 lone 3 97 - 3 - 10889=1, 10892/2.2=1 HG3 GLU 66 - QE TYR 102 lone 2 59 - 4 - HG3 GLN 28 - QE TYR 76 lone 2 83 - 2 - HG2 GLU 48 - QE TYR 102 lone 2 98 - 2 - HB2 GLN 83 - QE TYR 76 lone 2 81 - 2 - HB2 GLU 69 - QE TYR 76 lone 2 82 - 2 - HG2 GLU 48 - QE TYR 76 lone 1 83 - 2 - HG3 GLU 66 - QE TYR 76 lone 1 46 - 3 - Peak 10186 from cnoeabs.peaks (2.04, 6.71, 118.26 ppm; 5.65 A): 3 out of 34 assignments used, quality = 0.91: HB3 GLN 100 + QE TYR 102 OK 83 99 - 84 - 1.8/10889=36...(6) HB2 MET 1 + QE TYR 76 OK 34 59 - 57 - 3.0/10715=32, ~10720=28...(4) HB2 GLN 28 + QE TYR 102 OK 25 67 - 38 - ~4686=12, 3.0/4619=11...(5) HB2 GLU 89 - QE TYR 102 OK 14 97 - 14 - 10890=3, 10891/2.2=3...(5) HB3 GLU 89 - QE TYR 102 OK 14 97 - 14 - 10890=3, 10891/2.2=3...(5) HB3 MET 67 - QE TYR 102 OK 14 98 - 14 - 4687/2.2=2, 1.8/10185=2...(5) HB3 MET 67 - QE TYR 76 OK 12 83 - 14 - 9779/9801=5, 9709/9040=2 HB2 GLU 66 - QE TYR 102 lone 7 97 - 7 - 10890=1, 9761/9741=1 HB VAL 117 - QE TYR 102 lone 6 99 - 6 - HB3 GLU 98 - QE TYR 102 lone 5 94 - 5 - 10891/2.2=1 HB3 GLN 100 - QE TYR 76 lone 5 84 - 6 - 1.8/10889=2, 10890=1 HB2 GLU 92 - QE TYR 102 lone 5 94 - 5 - 4687/2.2=1 HB2 MET 1 - QE TYR 102 lone 4 75 - 6 - 3.0/10715=3 HB2 GLU 66 - QE TYR 76 lone 4 82 - 5 - HB3 GLU 87 - QE TYR 102 lone 4 97 - 4 - 11300/9452=1 HB3 GLN 85 - QE TYR 102 lone 4 97 - 4 - HB3 GLU 89 - QE TYR 76 lone 3 82 - 4 - HB2 GLU 89 - QE TYR 76 lone 3 82 - 4 - HB3 GLU 87 - QE TYR 76 lone 3 82 - 4 - 11300/9452=1 HB VAL 117 - QE TYR 76 lone 3 85 - 4 - HB3 GLN 85 - QE TYR 76 lone 2 82 - 3 - HB2 GLU 92 - QE TYR 76 lone 2 77 - 3 - HB3 GLU 48 - QE TYR 102 lone 2 97 - 2 - HB2 GLU 48 - QE TYR 102 lone 2 97 - 2 - HG3 GLU 52 - QE TYR 102 lone 2 99 - 2 - HB3 GLU 98 - QE TYR 76 lone 2 77 - 3 - HB2 GLU 47 - QE TYR 102 lone 2 87 - 2 - HB3 GLU 48 - QE TYR 76 lone 2 82 - 2 - HB2 GLU 48 - QE TYR 76 lone 2 82 - 2 - HG3 GLU 52 - QE TYR 76 lone 2 85 - 2 - HB2 GLU 13 - QE TYR 102 lone 2 59 - 3 - HB2 GLN 28 - QE TYR 76 lone 1 52 - 3 - HB2 GLU 47 - QE TYR 76 lone 1 71 - 2 - HB2 GLU 13 - QE TYR 76 lone 1 46 - 2 - Peak 10187 from cnoeabs.peaks (1.90, 6.71, 118.26 ppm; 5.10 A): 3 out of 42 assignments used, quality = 0.97: HB ILE 71 + QE TYR 76 OK 78 85 - 92 - ~9798=30, 2.1/9799=29...(16) HB2 LEU 45 + QE TYR 76 OK 71 79 - 90 - ~4611=25, 1.8/9443=25...(12) HG LEU 45 + QE TYR 76 OK 53 59 - 90 - ~9446=26, 2.1/9450=25...(11) HB ILE 71 - QE TYR 102 OK 27 99 - 27 - 2.1/9799=7, 11643/4633=5...(8) HB2 LEU 45 - QE TYR 102 OK 15 95 - 15 - 1.8/9443=4, 9441=3...(4) HB2 GLU 128 - QE TYR 102 OK 14 98 - 15 - ~10880=11, 11026/9025=1 HB ILE 7 - QE TYR 102 OK 12 97 - 12 - 3.0/4626=3, 11291/9873=3...(5) HB ILE 15 - QE TYR 76 OK 12 49 - 24 - ~4610=6, ~4618=5...(8) HG LEU 45 - QE TYR 102 OK 11 75 - 14 - 2.1/9445=4, 2.1/9450=4...(4) HB ILE 7 - QE TYR 76 OK 11 82 - 13 - 3.0/4626=3, 11291/9873=2...(6) HB2 LYS 73 - QE TYR 76 OK 10 85 - 12 - 4609/2.2=2, ~4611=2...(4) HB3 LYS 73 - QE TYR 76 OK 10 84 - 12 - 4609/2.2=2, ~4611=2...(4) QE MET 67 - QE TYR 102 poor 7 67 - 11 - 4.3/4620=2, 9763/4633=2 HB3 LYS 123 - QE TYR 102 poor 7 67 - 10 - ~11056=3, 2.9/4622=2...(4) HB2 LYS 20 - QE TYR 76 lone 6 79 - 7 - 2.9/4623=1 HB3 LYS 20 - QE TYR 76 lone 6 79 - 7 - 2.9/4623=1 QE MET 67 - QE TYR 76 poor 6 52 - 10 - 4.3/4620=2, 9726/9801=1 HB3 LYS 44 - QE TYR 76 lone 5 75 - 7 - HB2 ARG 95 - QE TYR 76 lone 5 85 - 6 - 4027/9450=2, 4020/9445=1 HB2 LYS 96 - QE TYR 102 lone 5 98 - 5 - ~4689=1 HB2 LYS 44 - QE TYR 76 lone 4 62 - 7 - HB2 LYS 96 - QE TYR 76 lone 3 83 - 4 - HB2 LYS 20 - QE TYR 102 lone 3 95 - 3 - HB3 LYS 20 - QE TYR 102 lone 3 95 - 3 - HB2 LYS 73 - QE TYR 102 lone 3 99 - 3 - HB3 LYS 73 - QE TYR 102 lone 3 99 - 3 - HB2 GLU 128 - QE TYR 76 lone 3 83 - 4 - 11026/9025=1 HB3 LYS 43 - QE TYR 76 lone 3 83 - 4 - HB3 LYS 43 - QE TYR 102 lone 3 98 - 3 - HB3 LYS 44 - QE TYR 102 lone 3 92 - 3 - HB2 LYS 49 - QE TYR 76 lone 3 85 - 3 - HB2 LYS 43 - QE TYR 102 lone 3 90 - 3 - HB ILE 15 - QE TYR 102 lone 3 63 - 4 - HB2 LYS 43 - QE TYR 76 lone 3 73 - 3 - HB2 ARG 95 - QE TYR 102 lone 2 99 - 2 - HB2 LYS 44 - QE TYR 102 lone 2 78 - 3 - HB2 LYS 49 - QE TYR 102 lone 2 99 - 2 - HB3 LYS 16 - QE TYR 76 lone 2 56 - 3 - HB3 LYS 123 - QE TYR 76 lone 2 52 - 3 - HB2 LYS 16 - QE TYR 76 lone 2 52 - 3 - HB3 LYS 16 - QE TYR 102 lone 2 71 - 2 - HB2 LYS 16 - QE TYR 102 lone 1 67 - 2 - Peak 10188 from cnoeabs.peaks (1.70, 6.71, 118.26 ppm; 5.53 A): 4 out of 38 assignments used, quality = 0.93: HG12 ILE 71 + QE TYR 76 OK 69 77 - 90 - ~9798=28, 3.2/9799=27...(13) HG LEU 74 + QE TYR 76 OK 59 85 - 70 - 2.1/9818=28, ~9817=24...(7) HB ILE 56 + QE TYR 102 OK 27 82 - 33 - ~4690=9, 2.9/4628=7...(7) HG12 ILE 71 + QE TYR 102 OK 23 94 - 25 - 2.1/9801=7, 3.2/9799=7...(6) HB ILE 56 - QE TYR 76 OK 22 65 - 34 - ~4615=8, 2.9/4628=8...(9) HG3 LYS 123 - QE TYR 102 OK 19 99 - 19 - ~11211=5, ~11208=5...(6) HG3 LYS 123 - QE TYR 76 lone 7 84 - 8 - 10612/9799=5 HG3 LYS 39 - QE TYR 76 lone 6 84 - 7 - 10935/10715=3 HG LEU 74 - QE TYR 102 lone 5 99 - 5 - 2.1/9818=2 HD2 LYS 44 - QE TYR 76 lone 5 85 - 6 - ~4610=1 HD3 LYS 44 - QE TYR 76 lone 5 85 - 6 - ~4610=1, 4610/2.2=1 HB3 LYS 106 - QE TYR 102 lone 5 82 - 6 - ~4690=1 HB2 LYS 106 - QE TYR 102 lone 4 75 - 6 - ~4690=1 HD2 LYS 20 - QE TYR 76 lone 4 62 - 7 - 3.0/4623=1, ~4611=1 HB3 LYS 106 - QE TYR 76 lone 4 65 - 6 - ~4610=1 HD3 LYS 20 - QE TYR 76 lone 4 59 - 7 - 3.0/4623=1, ~4611=1 HD2 LYS 73 - QE TYR 76 lone 4 52 - 7 - ~4611=3, 3.0/4623=1 HD3 LYS 73 - QE TYR 76 lone 4 49 - 7 - ~4611=3, 3.0/4623=1 HB2 LYS 106 - QE TYR 76 lone 4 59 - 6 - ~4610=1 HG3 LYS 39 - QE TYR 102 lone 4 99 - 4 - HD3 LYS 39 - QE TYR 76 lone 3 84 - 4 - HD2 LYS 39 - QE TYR 76 lone 3 83 - 4 - HD3 LYS 96 - QE TYR 102 lone 3 59 - 5 - ~4689=2 HD2 LYS 20 - QE TYR 102 lone 3 78 - 3 - HD2 LYS 44 - QE TYR 102 lone 3 99 - 3 - HD3 LYS 44 - QE TYR 102 lone 3 99 - 3 - HD3 LYS 20 - QE TYR 102 lone 3 75 - 3 - HD3 LYS 39 - QE TYR 102 lone 2 99 - 2 - HD2 LYS 73 - QE TYR 102 lone 2 67 - 3 - HD2 LYS 39 - QE TYR 102 lone 2 98 - 2 - HD3 LYS 16 - QE TYR 102 lone 2 82 - 2 - HD3 LYS 43 - QE TYR 102 lone 2 63 - 3 - HD3 LYS 73 - QE TYR 102 lone 2 63 - 3 - HD3 LYS 96 - QE TYR 76 lone 2 46 - 4 - HD2 LYS 16 - QE TYR 102 lone 2 71 - 2 - HD3 LYS 16 - QE TYR 76 lone 2 65 - 3 - HD2 LYS 16 - QE TYR 76 lone 1 56 - 3 - HD3 LYS 43 - QE TYR 76 lone 1 49 - 3 - Peak 10189 from cnoeabs.peaks (1.56, 6.71, 118.26 ppm; 5.23 A): 3 out of 22 assignments used, quality = 0.96: HB VAL 78 + QE TYR 102 OK 86 99 - 87 - 9872/2.2=32, ~4694=23...(11) HG12 ILE 3 + QE TYR 76 OK 50 83 - 60 - ~4613=37, 1.8/10192=12...(5) HB VAL 78 + QE TYR 76 OK 45 85 - 53 - ~9874=28, 2.1/9873=13...(5) HG12 ILE 3 - QE TYR 102 OK 45 98 - 46 - 1.8/10192=10, 3.2/9018=9...(8) HG LEU 55 - QE TYR 102 OK 15 92 - 17 - ~4693=3, 2.1/9040=3...(6) QB ALA 46 - QE TYR 76 OK 15 79 - 19 - 9452=11, 9461/9799=5...(4) QB ALA 46 - QE TYR 102 OK 13 95 - 14 - 9452=8, 9457/4.4=2...(4) HG2 LYS 123 - QE TYR 102 OK 11 63 - 17 - ~11211=5, ~11208=4...(5) HD2 LYS 106 - QE TYR 102 lone 7 98 - 7 - ~4690=1 HD3 LYS 106 - QE TYR 102 lone 7 97 - 7 - ~4690=1 HB3 LEU 70 - QE TYR 102 lone 6 82 - 7 - ~4691=3, 4689/2.2=2, 10175/4.4=1 HG2 LYS 115 - QE TYR 102 lone 4 98 - 5 - 10129/10139=1 HG3 LYS 96 - QE TYR 102 lone 4 82 - 5 - 4689/2.2=2 HD2 LYS 106 - QE TYR 76 lone 4 83 - 5 - HD3 LYS 106 - QE TYR 76 lone 4 82 - 4 - HG LEU 55 - QE TYR 76 lone 3 75 - 4 - HG2 LYS 65 - QE TYR 102 lone 3 94 - 3 - HG3 LYS 96 - QE TYR 76 lone 3 65 - 4 - HB3 LEU 70 - QE TYR 76 lone 2 65 - 4 - 9788/9799=2 HG2 LYS 115 - QE TYR 76 lone 2 83 - 3 - HG2 LYS 65 - QE TYR 76 lone 2 77 - 3 - HG2 LYS 123 - QE TYR 76 lone 2 49 - 4 - 9788/9799=1 Peak 10190 from cnoeabs.peaks (1.46, 6.71, 118.26 ppm; 5.07 A): 6 out of 28 assignments used, quality = 0.93: HG LEU 4 + QE TYR 76 OK 66 73 - 91 - ~9037=35, ~9039=31...(14) HB2 LEU 74 + QE TYR 76 OK 54 82 - 66 - 3.1/9818=23, ~9817=17...(9) HG LEU 4 + QE TYR 102 OK 34 90 - 38 - 2.1/9040=10, 2.1/9038=7...(7) HG12 ILE 7 + QE TYR 102 OK 13 99 - 14 - 1.8/4626=4, 11580/9878=3...(5) HG12 ILE 7 + QE TYR 76 OK 11 85 - 13 - 1.8/4626=4, ~4618=2...(5) HB3 LEU 38 + QE TYR 102 OK 11 99 - 11 - ~4691=6, 3.1/4628=3, 9429/9409=1 HB3 LEU 38 - QE TYR 76 lone 7 85 - 8 - 9429/9409=2, ~4615=2, 3.1/4628=1 HG2 LYS 106 - QE TYR 102 lone 7 99 - 7 - ~4690=1 HB2 LEU 74 - QE TYR 102 lone 6 97 - 6 - 3.1/9818=2, 9789/9799=1 HB3 LEU 6 - QE TYR 102 lone 5 99 - 5 - 1.8/4623=2, 3.1/4735=2 HG3 ARG 30 - QE TYR 76 lone 5 75 - 7 - ~4611=2, 1.8/4623=1 HG2 LYS 106 - QE TYR 76 lone 5 85 - 6 - HG12 ILE 57 - QE TYR 76 lone 5 85 - 6 - 9831/6.4=1, 2.1/10196=1 HB3 LEU 6 - QE TYR 76 lone 4 84 - 5 - 1.8/4623=1 HG3 LYS 73 - QE TYR 76 lone 4 52 - 8 - ~4609=1, 9831/6.4=1, 4611/2.2=1 HG3 LYS 20 - QE TYR 76 lone 4 59 - 6 - 1.8/4623=1 HG2 LYS 39 - QE TYR 76 lone 4 83 - 4 - HG2 LYS 39 - QE TYR 102 lone 3 98 - 3 - HG12 ILE 57 - QE TYR 102 lone 3 99 - 3 - HG3 ARG 30 - QE TYR 102 lone 3 92 - 3 - HG2 LYS 49 - QE TYR 76 lone 3 84 - 3 - HG3 LYS 49 - QE TYR 76 lone 3 84 - 3 - HG3 LYS 20 - QE TYR 102 lone 2 75 - 3 - HG3 LYS 49 - QE TYR 102 lone 1 99 - 1 - HG2 LYS 49 - QE TYR 102 lone 1 99 - 1 - HG3 LYS 73 - QE TYR 102 lone 1 67 - 2 - HD2 LYS 53 - QE TYR 76 lone 1 46 - 2 - HD2 LYS 53 - QE TYR 102 lone 1 59 - 1 - Peak 10191 from cnoeabs.peaks (1.39, 6.71, 118.26 ppm; 6.20 A): 2 out of 16 assignments used, quality = 0.95: HB3 LEU 68 + QE TYR 102 OK 93 97 - 97 - ~4696=40, 3.1/4633=39...(10) HB3 LEU 68 + QE TYR 76 OK 32 81 - 39 - 3.1/4633=11...(5) HB3 LEU 114 - QE TYR 76 poor 9 73 - 13 - ~4610=2, ~10842=2...(7) HB3 LEU 114 - QE TYR 102 lone 6 90 - 6 - HG3 LYS 106 - QE TYR 102 lone 5 75 - 7 - 1.8/10190=1 HG LEU 14 - QE TYR 102 lone 4 92 - 5 - 11651/9055=1 HG LEU 14 - QE TYR 76 lone 4 75 - 6 - ~4611=1, ~4618=1 HG3 LYS 106 - QE TYR 76 lone 4 59 - 7 - ~4610=1 HG3 LYS 16 - QE TYR 102 lone 2 92 - 3 - HG3 LYS 16 - QE TYR 76 lone 2 75 - 3 - HG2 LYS 94 - QE TYR 102 lone 2 63 - 4 - ~4687=1 HG3 LYS 43 - QE TYR 102 lone 2 67 - 3 - HG2 LYS 40 - QE TYR 102 lone 2 94 - 2 - HG3 LYS 43 - QE TYR 76 lone 2 52 - 3 - HG2 LYS 40 - QE TYR 76 lone 1 77 - 2 - HG2 LYS 94 - QE TYR 76 lone 1 49 - 2 - Peak 10192 from cnoeabs.peaks (1.23, 6.71, 118.26 ppm; 6.20 A): 3 out of 6 assignments used, quality = 0.80: HG13 ILE 3 + QE TYR 76 OK 54 77 - 69 - 4613/2.2=49, 2.1/9025=14...(5) HG13 ILE 3 + QE TYR 102 OK 46 94 - 49 - ~9019=11, 2.1/9025=11...(8) HG12 ILE 54 + QE TYR 102 OK 22 59 - 36 - 3.2/9492=11, ~4691=9...(5) HG12 ILE 54 - QE TYR 76 lone 4 46 - 9 - 3.2/9492=5, 2.1/9055=1 QG2 THR 108 - QE TYR 76 lone 2 49 - 3 - QG2 THR 108 - QE TYR 102 lone 1 63 - 2 - Peak 10193 from cnoeabs.peaks (1.03, 6.71, 118.26 ppm; 5.54 A): 6 out of 10 assignments used, quality = 0.92: HG13 ILE 71 + QE TYR 76 OK 71 79 - 90 - ~9798=28, 3.2/9799=27...(14) HG3 LYS 2 + QE TYR 76 OK 35 81 - 44 - 4614/2.2=13, 2.9/4626=12...(5) QD1 LEU 127 + QE TYR 102 OK 29 67 - 43 - ~10829=29, 10832=10...(4) HG13 ILE 71 + QE TYR 102 OK 21 95 - 23 - 2.1/9801=7, 3.2/9799=7...(6) HG2 LYS 61 + QE TYR 76 OK 13 85 - 15 - 1.8/4626=5, 4614/2.2=4...(5) HB2 PHE 79 + QE TYR 102 OK 12 82 - 15 - 4.0/1526=8, ~4687=2, 9903/9878=2 HG3 LYS 2 - QE TYR 102 lone 9 97 - 9 - 2.9/4626=3, 2.9/4628=2 HG2 LYS 61 - QE TYR 102 lone 8 99 - 8 - 1.8/4626=3, ~4690=2...(4) HB2 PHE 79 - QE TYR 76 poor 8 65 - 12 - 4.0/1526=5, 4614/2.2=3 QD1 LEU 127 - QE TYR 76 lone 2 52 - 4 - Peak 10194 from cnoeabs.peaks (0.95, 6.71, 118.26 ppm; 5.70 A): 8 out of 14 assignments used, quality = 0.92: HD3 LYS 2 + QE TYR 76 OK 40 75 - 53 - 2.9/4627=21, 4615/2.2=15...(5) QD1 ILE 3 + QE TYR 76 OK 33 49 - 67 - ~4613=39, 4615/2.2=15...(7) HG13 ILE 56 + QE TYR 102 OK 33 95 - 35 - ~4690=11, 3.2/10196=5...(8) QD1 ILE 3 + QE TYR 102 OK 31 63 - 50 - 2.1/10192=12, ~9019=10...(9) HG13 ILE 56 + QE TYR 76 OK 31 79 - 39 - 4615/2.2=13, ~4617=6...(10) QD2 LEU 127 + QE TYR 102 OK 19 55 - 35 - 10829/2.2=19...(3) QD1 LEU 38 + QE TYR 102 OK 17 87 - 20 - ~4691=8, 10993/4.4=6 HD3 LYS 2 + QE TYR 102 OK 11 92 - 11 - 2.9/4627=4, 1.8/4626=3 QD1 LEU 38 - QE TYR 76 poor 9 71 - 13 - 4615/2.2=3...(4) HG13 ILE 116 - QE TYR 102 lone 4 59 - 6 - ~4693=1, ~10182=1, ~4689=1 HG3 LYS 53 - QE TYR 76 lone 2 56 - 3 - QD2 LEU 127 - QE TYR 76 lone 2 42 - 4 - 2.1/10832=1 HG3 LYS 53 - QE TYR 102 lone 1 71 - 2 - HG13 ILE 116 - QE TYR 76 lone 1 46 - 2 - Peak 10195 from cnoeabs.peaks (0.82, 6.71, 118.26 ppm; 3.82 A): 5 out of 14 assignments used, quality = 0.94: QG2 ILE 71 + QE TYR 76 OK 70 84 - 84 - 9798/2.2=29, 9799=21...(18) QD2 LEU 74 + QE TYR 76 OK 46 85 - 54 - 2.1/9818=17, ~9817=11...(10) QD1 LEU 74 + QE TYR 76 OK 45 84 - 53 - 9818=20, 9817/2.2=13...(10) QG2 ILE 71 + QE TYR 102 OK 20 99 - 20 - 9775/4633=7, 9799=5...(6) QD1 LEU 64 + QE TYR 102 OK 12 97 - 13 - 11269/4633=7, ~4692=2, ~4688=2 QD1 LEU 64 - QE TYR 76 lone 8 81 - 10 - 11689/6.4=2...(4) QD2 LEU 82 - QE TYR 102 lone 5 97 - 5 - 11396/10139=2, ~4692=1 QD1 LEU 114 - QE TYR 76 lone 5 59 - 8 - 10842/2.2=1, 9833/6.4=1 QD1 LEU 74 - QE TYR 102 lone 4 99 - 4 - 9818=2 QD2 LEU 74 - QE TYR 102 lone 4 99 - 4 - 2.1/9818=1 QD2 LEU 82 - QE TYR 76 lone 3 82 - 4 - QD1 LEU 114 - QE TYR 102 lone 2 75 - 2 - QG1 VAL 29 - QE TYR 102 lone 1 55 - 2 - QG1 VAL 29 - QE TYR 76 lone 0 42 - 1 - Peak 10196 from cnoeabs.peaks (0.69, 6.71, 118.26 ppm; 4.18 A): 6 out of 16 assignments used, quality = 0.94: QG2 ILE 97 + QE TYR 102 OK 70 87 - 80 - 4693/2.2=24...(12) QD2 LEU 4 + QE TYR 76 OK 47 59 - 80 - ~9037=25, 9039/2.2=23...(14) QG2 ILE 56 + QE TYR 102 OK 25 99 - 25 - 4693/2.2=5, 3.2/4628=5...(8) QD2 LEU 4 + QE TYR 102 OK 24 75 - 32 - 4693/2.2=7, 9040=5...(10) QG2 ILE 56 + QE TYR 76 OK 19 85 - 23 - 3.2/4628=5, ~4615=4...(8) QD1 LEU 55 + QE TYR 102 OK 13 92 - 15 - 4693/2.2=3, 2.1/4625=2...(6) QD2 LEU 63 - QE TYR 102 lone 6 71 - 8 - 9766/4632=2, 4.0/4606=2...(4) QG2 ILE 97 - QE TYR 76 lone 5 71 - 7 - 3.0/10139=2...(3) QD1 ILE 57 - QE TYR 76 lone 5 62 - 8 - 9561/5.6=6 QD2 LEU 81 - QE TYR 102 lone 4 82 - 5 - 9766/4632=2, ~4692=2 QD1 ILE 116 - QE TYR 102 lone 4 82 - 4 - 4693/2.2=1 QD1 ILE 57 - QE TYR 102 lone 4 78 - 4 - 9574/6.5=3 QD1 LEU 55 - QE TYR 76 lone 3 75 - 4 - QD2 LEU 63 - QE TYR 76 lone 3 56 - 5 - QD2 LEU 81 - QE TYR 76 lone 1 65 - 2 - QD1 ILE 116 - QE TYR 76 lone 0 65 - 1 - Peak 10197 from cnoeabs.peaks (0.65, 6.71, 118.26 ppm; 4.24 A): 3 out of 12 assignments used, quality = 0.93: QD1 LEU 4 + QE TYR 76 OK 74 84 - 88 - 9037/2.2=40, ~9039=22...(15) QD1 ILE 71 + QE TYR 76 OK 60 75 - 79 - 3.3/9799=18, 4617/2.2=17...(17) QD1 LEU 4 + QE TYR 102 OK 33 99 - 34 - 2.1/9040=7, 9038=6...(9) QD1 ILE 54 - QE TYR 102 OK 23 90 - 26 - 2.1/4626=9, ~4691=5...(7) QD1 ILE 71 - QE TYR 102 OK 18 92 - 20 - 3.3/9799=4, 9776/10139=4...(7) QD1 ILE 56 - QE TYR 102 OK 18 71 - 25 - 2.1/4628=6, ~4690=6...(7) QD1 ILE 56 - QE TYR 76 OK 16 56 - 28 - 2.1/4628=7, ~4615=6...(9) HG13 ILE 15 - QE TYR 76 OK 15 75 - 20 - ~4610=6, ~4618=5...(7) QD1 ILE 54 - QE TYR 76 lone 6 73 - 8 - 2.1/4626=3, 3.1/9492=2 QG1 VAL 22 - QE TYR 76 lone 5 79 - 6 - 10858/4.4=2, 9842/4.4=1 QG1 VAL 22 - QE TYR 102 lone 2 95 - 3 - HG13 ILE 15 - QE TYR 102 lone 2 92 - 3 - Peak 10198 from cnoeabs.peaks (0.51, 6.71, 118.26 ppm; 5.25 A): 2 out of 2 assignments used, quality = 0.92: QD1 LEU 68 + QE TYR 102 OK 90 95 - 94 - 4695/2.2=47, 2.1/4633=39...(11) QD1 LEU 68 + QE TYR 76 OK 27 79 - 34 - 2.1/4633=11, 9745=9...(6) Peak 10199 from cnoeabs.peaks (0.37, 6.71, 118.26 ppm; 4.64 A): 2 out of 4 assignments used, quality = 0.93: QD2 LEU 68 + QE TYR 102 OK 80 90 - 89 - 2.1/4632=34, 4696/2.2=34...(13) QD1 ILE 97 + QE TYR 102 OK 67 87 - 77 - 3.0/10150=18...(15) QD2 LEU 68 - QE TYR 76 OK 26 73 - 36 - 9750=9, 2.1/4632=8...(8) QD1 ILE 97 - QE TYR 76 OK 11 71 - 16 - 9776/9801=4, 9859/9873=3...(5) Peak 10200 from cnoeabs.peaks (0.36, 6.98, 132.43 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.99: QD1 ILE 97 + QD TYR 102 OK 99 100 - 99 - 10174/2.5=39...(23) Peak 10202 from cnoeabs.peaks (4.11, 6.71, 118.26 ppm; 6.20 A): 1 out of 12 assignments used, quality = 0.54: HA MET 1 + QE TYR 76 OK 54 75 - 72 - 10720/2.2=43, 10715=41...(4) HA MET 1 - QE TYR 102 lone 7 92 - 7 - 10715=4 HA GLN 62 - QE TYR 102 lone 2 98 - 2 - HA ASP 110 - QE TYR 102 lone 2 78 - 2 - HB2 SER 72 - QE TYR 102 lone 2 82 - 2 - HB3 SER 72 - QE TYR 102 lone 2 82 - 2 - HA GLN 62 - QE TYR 76 lone 2 83 - 2 - HB3 SER 72 - QE TYR 76 lone 1 65 - 2 - HB2 SER 72 - QE TYR 76 lone 1 65 - 2 - HA ASP 110 - QE TYR 76 lone 1 62 - 2 - HA3 GLY 26 - QE TYR 102 lone 1 67 - 2 - HA3 GLY 26 - QE TYR 76 lone 1 52 - 2 - Peak 10206 from cnoeabs.peaks (6.71, 2.09, 30.37 ppm; 4.80 A): 0 out of 3 assignments used, low quality = 0.39: QD PHE 79 - HB2 GLU 103 OK 39 92 - 43 - 3.7/11014=21...(5) QE TYR 102 - HB2 GLU 103 lone 5 98 - 5 - 10208/3.0=3, 10212/1.8=1 QE TYR 76 - HB2 GLU 103 lone 4 99 - 4 - 10208/3.0=2 Peak 10207 from cnoeabs.peaks (7.12, 2.26, 36.25 ppm; 5.16 A): 0 out of 12 assignments used, low quality = 0.28: QE PHE 120 - HG2 GLU 103 OK 28 65 - 43 - 10209/1.8=17, ~10213=16...(6) QD PHE 51 - HG2 GLU 89 lone 5 61 - 8 - 10209/1.8=3, 4599/3.0=2 QE PHE 93 - HG3 GLU 92 poor 4 33 - 12 - 6.5/584=8, 10209/1.8=3 QE PHE 93 - HG2 GLU 103 lone 3 70 - 5 - 10209/1.8=2, 6.5/584=1 QD PHE 51 - HG2 GLU 103 lone 3 99 - 3 - 10209/1.8=2 QE PHE 93 - HG2 GLU 89 lone 3 37 - 9 - 6.5/584=6, 10209/1.8=2 QE PHE 120 - HG3 GLU 92 lone 2 31 - 7 - ~4712=2, 10209/1.8=2 QE PHE 120 - HG2 GLU 89 lone 2 34 - 4 - ~11059=2 QD PHE 51 - HG3 GLU 92 lone 1 55 - 2 - QD PHE 51 - HG3 GLU 111 lone 1 41 - 2 - QE PHE 120 - HG3 GLU 111 lone 1 22 - 3 - ~4712=1 QE PHE 93 - HG3 GLU 111 lone 1 24 - 3 - Peak 10208 from cnoeabs.peaks (6.71, 2.26, 36.25 ppm; 5.57 A): 0 out of 12 assignments used, low quality = 0.34: QD PHE 79 - HG2 GLU 103 OK 34 77 - 44 - 10206/3.0=32, 2.4/6359=4...(5) QE TYR 102 - HG2 GLU 103 lone 6 90 - 7 - 10206/3.0=4 QE TYR 76 - HG2 GLU 103 lone 5 92 - 5 - 10206/3.0=3 QE TYR 102 - HG2 GLU 89 lone 4 51 - 7 - 10890/3.0=2, 10890/3.0=2 QD PHE 79 - HG2 GLU 89 lone 2 42 - 5 - 10890/3.0=1, 10890/3.0=1 QE TYR 102 - HG3 GLU 92 lone 2 46 - 4 - QE TYR 76 - HG2 GLU 89 lone 1 53 - 2 - QD PHE 79 - HG3 GLU 92 lone 1 37 - 3 - QD PHE 79 - HG3 GLU 111 lone 1 27 - 4 - 4641/1.8=2 QE TYR 76 - HG3 GLU 92 lone 1 48 - 2 - QE TYR 76 - HG3 GLU 111 lone 1 35 - 1 - QE TYR 102 - HG3 GLU 111 lone 1 34 - 2 - Peak 10209 from cnoeabs.peaks (7.12, 2.32, 36.25 ppm; 5.58 A): 0 out of 18 assignments used, low quality = 0.32: QE PHE 120 - HG3 GLU 103 OK 32 65 - 50 - 10207/1.8=23, ~10213=19...(6) QE PHE 93 - HG2 GLU 92 poor 5 37 - 14 - 6.5/583=10, 10207/1.8=3 QD PHE 51 - HG3 GLU 89 poor 5 44 - 10 - 10207/1.8=4, 4599/3.0=3 QD PHE 51 - HG3 GLU 103 lone 4 99 - 4 - 10207/1.8=3 QE PHE 93 - HG3 GLU 103 lone 4 70 - 6 - 10207/1.8=3, 6.5/583=2 QE PHE 93 - HG3 GLU 89 poor 3 26 - 11 - 6.5/583=7, 10207/1.8=3 QE PHE 120 - HG2 GLU 92 lone 3 34 - 8 - ~4712=2, 10207/1.8=2 QD PHE 51 - HG3 GLU 48 lone 2 67 - 3 - QD PHE 51 - HG2 GLU 92 lone 2 61 - 3 - QE PHE 120 - HG3 GLU 89 lone 1 24 - 5 - ~11059=2, 10207/1.8=1 QE PHE 120 - HG2 GLU 112 lone 1 20 - 5 - ~4712=2, ~10572=1 QE PHE 93 - HG3 GLU 48 lone 1 41 - 2 - QE PHE 93 - HG3 GLU 13 lone 1 24 - 4 - 6.5/583=2 QE PHE 120 - HG3 GLU 13 lone 1 22 - 3 - ~4702=1 QE PHE 120 - HG3 GLU 48 lone 1 39 - 2 - QD PHE 51 - HG2 GLU 112 lone 1 37 - 2 - QD PHE 51 - HG3 GLU 13 lone 1 41 - 1 - QE PHE 93 - HG2 GLU 112 lone 0 22 - 1 - Peak 10210 from cnoeabs.peaks (6.74, 2.32, 36.25 ppm; 5.67 A): 0 out of 24 assignments used, low quality = 0.29: QD PHE 79 - HG3 GLU 103 OK 29 73 - 40 - 10212/3.0=31, ~6359=4...(5) QE TYR 102 - HG3 GLU 103 lone 4 57 - 7 - 10212/3.0=5 QD PHE 79 - HG2 GLU 92 lone 2 39 - 4 - 4641/1.8=2 QD PHE 79 - HG3 GLU 89 lone 2 28 - 6 - 4641/1.8=3 QE TYR 102 - HG3 GLU 89 lone 1 21 - 5 - ~10891=2 QE TYR 102 - HG2 GLU 92 lone 1 30 - 3 - HE22 GLN 100 - HG3 GLU 103 lone 1 61 - 1 - HD22 ASN 59 - HG3 GLU 103 lone 1 61 - 1 - QD PHE 79 - HG3 GLU 48 lone 1 44 - 1 - QD PHE 79 - HG3 GLU 13 lone 1 26 - 2 - QE TYR 102 - HG3 GLU 48 lone 1 33 - 2 - QD PHE 79 - HG2 GLU 112 lone 1 23 - 2 - HE22 GLN 100 - HG3 GLU 48 lone 1 36 - 1 - HD22 ASN 59 - HG3 GLU 48 lone 1 36 - 1 - HE22 GLN 100 - HG2 GLU 92 lone 0 32 - 2 - HD22 ASN 59 - HG2 GLU 92 lone 0 32 - 1 - QE TYR 102 - HG3 GLU 13 lone 0 19 - 2 - HE22 GLN 100 - HG3 GLU 89 lone 0 23 - 2 - HD22 ASN 59 - HG3 GLU 89 lone 0 23 - 1 - HE22 GLN 100 - HG3 GLU 13 lone 0 21 - 2 - HD22 ASN 59 - HG2 GLU 112 lone 0 19 - 2 - HD22 ASN 59 - HG3 GLU 13 lone 0 21 - 1 - HE22 GLN 100 - HG2 GLU 112 lone 0 19 - 1 - QE TYR 102 - HG2 GLU 112 lone 0 17 - 1 - Peak 10212 from cnoeabs.peaks (6.73, 1.99, 30.37 ppm; 5.20 A): 0 out of 3 assignments used, low quality = 0.31: QD PHE 79 - HB3 GLU 103 OK 31 92 - 34 - 10210/3.0=18...(5) QE TYR 102 - HB3 GLU 103 lone 5 81 - 6 - 10210/3.0=2, 10206/1.8=2 QE TYR 76 - HB3 GLU 103 lone 2 77 - 3 - 10206/1.8=1 Peak 10213 from cnoeabs.peaks (6.78, 1.99, 30.37 ppm; 5.65 A): 0 out of 2 assignments used, low quality = 0.31: QD PHE 120 - HB3 GLU 103 OK 31 97 - 32 - ~10207=14, ~10209=12 QD TYR 27 - HB3 GLU 103 lone 10 99 - 9 - 2.5/9215=4, 2.5/9212=3 Peak 10216 from cnoeabs.peaks (0.91, 4.51, 56.38 ppm; 4.09 A): 0 out of 7 assignments used, low quality = 0.00: HG13 ILE 97 - HA GLU 103 lone 6 65 - 9 - ~10215=5, 1690/3.6=2, 4.8/2035=1 QD1 LEU 90 - HA GLU 103 lone 3 99 - 3 - 2.1/11099=2 QD2 LEU 38 - HA GLU 103 lone 2 65 - 3 - 4.8/2035=2 HG13 ILE 54 - HA GLU 103 lone 2 99 - 2 - QG2 VAL 29 - HA GLU 103 lone 2 90 - 2 - QD2 LEU 70 - HA GLU 103 lone 1 99 - 1 - QD1 LEU 70 - HA GLU 103 lone 1 100 - 1 - Peak 10219 from cnoeabs.peaks (1.30, 5.23, 59.28 ppm; 5.35 A): 4 out of 4 assignments used, quality = 0.94: HB3 LEU 80 + HA VAL 104 OK 73 73 - 99 - 1.8/10815=48...(19) HG3 LYS 115 + HA VAL 104 OK 44 99 - 44 - 10225/3.0=12...(8) HB3 LEU 55 + HA VAL 104 OK 39 73 - 53 - ~9502=14, 11509/3.2=11...(9) HG3 LYS 94 + HA VAL 104 OK 35 70 - 50 - 10228/3.2=10...(10) Peak 10220 from cnoeabs.peaks (1.74, 5.23, 59.28 ppm; 4.40 A): 2 out of 12 assignments used, quality = 0.95: HB2 LEU 80 + HA VAL 104 OK 91 94 - 97 - 10815=44, 1.8/9929=30...(21) HB3 LYS 94 + HA VAL 104 OK 50 94 - 53 - ~10236=15, 10979/3.2=7...(15) HG3 ARG 105 - HA VAL 104 OK 36 96 - 38 - 4.9/664=27, 10226/3.2=5...(4) HB3 LEU 82 - HA VAL 104 OK 31 96 - 33 - 9965/3.2=7, ~9967=6...(10) HB2 LEU 55 - HA VAL 104 OK 29 70 - 41 - 9502/3.2=9, ~11509=8...(10) HB2 LEU 68 - HA VAL 104 lone 5 100 - 5 - 11107/10149=1, ~10224=1 HD3 LYS 123 - HA VAL 104 lone 4 99 - 4 - HB2 LEU 114 - HA VAL 104 lone 3 94 - 3 - HB3 LYS 49 - HA VAL 104 lone 2 90 - 2 - HG2 LYS 17 - HA VAL 104 lone 1 90 - 1 - HG2 ARG 118 - HA VAL 104 lone 1 77 - 1 - HG12 ILE 15 - HA VAL 104 lone 1 65 - 1 - Peak 10221 from cnoeabs.peaks (0.78, 5.23, 59.28 ppm; 4.80 A): 2 out of 10 assignments used, quality = 1.00: QD2 LEU 80 + HA VAL 104 OK 98 99 - 99 - 9930=40, 3.1/10815=35...(22) QD1 LEU 80 + HA VAL 104 OK 97 99 - 99 - 11605=40, 3.1/10815=35...(22) QD1 LEU 82 - HA VAL 104 OK 37 100 - 37 - ~10973=7, 10231/3.2=6...(11) QD1 LEU 81 - HA VAL 104 OK 17 94 - 18 - 10267/3.6=10...(5) QD2 LEU 64 - HA VAL 104 lone 6 100 - 6 - 10267/3.6=1...(4) QD1 ILE 7 - HA VAL 104 lone 4 84 - 4 - 1533/9926=1 QG1 VAL 107 - HA VAL 104 lone 3 70 - 4 - 10311/9928=1 QG2 VAL 32 - HA VAL 104 lone 1 70 - 2 - QD2 LEU 14 - HA VAL 104 lone 1 70 - 2 - QD1 ILE 15 - HA VAL 104 lone 1 73 - 1 - Peak 10222 from cnoeabs.peaks (0.78, 1.95, 34.17 ppm; 3.95 A): 2 out of 10 assignments used, quality = 0.99: QD2 LEU 80 + HB VAL 104 OK 92 99 - 93 - 11091/2.1=26...(23) QD1 LEU 80 + HB VAL 104 OK 92 99 - 93 - 11092/2.1=32...(23) QD1 LEU 82 - HB VAL 104 OK 31 100 - 31 - ~10973=6, 10231/2.1=6...(10) QD1 LEU 81 - HB VAL 104 OK 11 94 - 12 - 10267/4.4=5, 10231/2.1=2 QD2 LEU 64 - HB VAL 104 lone 7 100 - 7 - 11270/10224=2, 10231/2.1=1 QD1 ILE 7 - HB VAL 104 lone 2 84 - 2 - QG2 VAL 32 - HB VAL 104 lone 1 70 - 1 - QD2 LEU 14 - HB VAL 104 lone 1 70 - 1 - QG1 VAL 107 - HB VAL 104 lone 1 70 - 1 - QD1 ILE 15 - HB VAL 104 lone 0 73 - 1 - Peak 10223 from cnoeabs.peaks (0.68, 1.95, 34.17 ppm; 4.54 A): 2 out of 7 assignments used, quality = 0.85: QG2 ILE 97 + HB VAL 104 OK 73 98 - 75 - 10230/2.1=24, ~10229=20...(12) QD1 LEU 55 + HB VAL 104 OK 42 96 - 45 - 10230/2.1=12, ~10227=11...(9) QD1 ILE 116 - HB VAL 104 lone 8 99 - 8 - 10230/2.1=3, ~10227=2 QD2 LEU 114 - HB VAL 104 lone 5 98 - 5 - 10446=2, 10230/2.1=1 QD2 LEU 4 - HB VAL 104 lone 2 100 - 2 - QD1 ILE 56 - HB VAL 104 lone 1 77 - 2 - QG2 ILE 56 - HB VAL 104 lone 1 65 - 1 - Peak 10224 from cnoeabs.peaks (0.37, 1.95, 34.17 ppm; 6.01 A): 2 out of 2 assignments used, quality = 0.91: QD1 ILE 97 + HB VAL 104 OK 90 100 - 90 - 10229/2.1=43...(15) QD2 LEU 68 + HB VAL 104 OK 11 65 - 17 - 9921/10225=4...(4) Peak 10225 from cnoeabs.peaks (1.30, 1.95, 34.17 ppm; 4.32 A): 2 out of 2 assignments used, quality = 0.90: HB3 LEU 80 + HB VAL 104 OK 85 90 - 95 - 9929/3.0=23...(21) HG3 LYS 115 + HB VAL 104 OK 33 100 - 33 - 10228/2.1=9, ~10227=7...(8) Peak 10226 from cnoeabs.peaks (1.75, 0.93, 20.69 ppm; 3.77 A): 3 out of 11 assignments used, quality = 0.97: HB2 LEU 80 + QG1 VAL 104 OK 91 99 - 91 - 10815/3.2=22...(23) HB3 LYS 94 + QG1 VAL 104 OK 44 81 - 54 - 3.0/10236=25...(10) HG3 ARG 105 + QG1 VAL 104 OK 39 100 - 40 - 4.9/666=16, 4.0/10241=9...(6) HB2 LEU 55 - QG1 VAL 104 OK 39 87 - 45 - 9502/2.1=12...(10) HB3 LEU 82 - QG1 VAL 104 OK 24 84 - 29 - ~9967=6, 9965/2.1=6...(9) HB2 LEU 68 - QG1 VAL 104 lone 5 100 - 5 - 11107/10230=1, ~10224=1 HD3 LYS 123 - QG1 VAL 104 lone 3 100 - 3 - HB2 LEU 114 - QG1 VAL 104 lone 2 81 - 3 - HG2 LYS 17 - QG1 VAL 104 lone 1 98 - 1 - HG12 ILE 18 - QG1 VAL 104 lone 1 73 - 1 - HB3 LYS 49 - QG1 VAL 104 lone 1 98 - 1 - Peak 10227 from cnoeabs.peaks (1.57, 0.93, 20.69 ppm; 4.01 A): 2 out of 12 assignments used, quality = 0.55: HG LEU 55 + QG1 VAL 104 OK 38 96 - 40 - 2.1/10230=11, ~9502=8...(9) HG2 LYS 115 + QG1 VAL 104 OK 26 84 - 31 - 1.8/10228=9, ~10225=6...(9) HG3 LYS 96 - QG1 VAL 104 lone 9 99 - 9 - 5.0/1650=5, 10129/10229=1 HG12 ILE 116 - QG1 VAL 104 lone 6 92 - 7 - 2.1/10230=2, ~10223=1 HD3 LYS 106 - QG1 VAL 104 lone 4 87 - 5 - ~10288=1, ~10286=1 HD2 LYS 106 - QG1 VAL 104 lone 4 84 - 5 - ~10288=1, ~10286=1 HG LEU 68 - QG1 VAL 104 lone 3 81 - 4 - ~10224=1 HG2 LYS 123 - QG1 VAL 104 lone 3 100 - 3 - HB VAL 78 - QG1 VAL 104 lone 2 70 - 3 - 10129/10229=2 HG2 LYS 44 - QG1 VAL 104 lone 2 96 - 2 - HB3 LEU 70 - QG1 VAL 104 lone 2 99 - 2 - HG12 ILE 3 - QG1 VAL 104 lone 1 84 - 2 - Peak 10228 from cnoeabs.peaks (1.30, 0.93, 20.69 ppm; 3.62 A): 4 out of 4 assignments used, quality = 0.88: HB3 LEU 80 + QG1 VAL 104 OK 64 73 - 87 - 10225/2.1=18, ~10815=13...(20) HG3 LYS 94 + QG1 VAL 104 OK 33 70 - 47 - 4.0/10236=19...(11) HG3 LYS 115 + QG1 VAL 104 OK 33 99 - 33 - 1.8/10227=8, 10225/2.1=7...(9) HB3 LEU 55 + QG1 VAL 104 OK 30 73 - 41 - 3.0/10227=9, ~9502=9...(9) Peak 10229 from cnoeabs.peaks (0.36, 0.93, 20.69 ppm; 4.58 A): 1 out of 1 assignment used, quality = 0.76: QD1 ILE 97 + QG1 VAL 104 OK 76 98 - 78 - 3.0/10230=21...(17) Peak 10230 from cnoeabs.peaks (0.67, 0.93, 20.69 ppm; 3.72 A): 2 out of 7 assignments used, quality = 0.74: QG2 ILE 97 + QG1 VAL 104 OK 61 90 - 69 - 3.0/10229=21...(14) QD1 LEU 55 + QG1 VAL 104 OK 32 84 - 38 - 2.1/10227=12...(9) QD1 ILE 116 - QG1 VAL 104 lone 7 94 - 8 - 2.1/10227=2, 10223/2.1=1...(4) QD1 ILE 71 - QG1 VAL 104 lone 5 70 - 7 - 9776/10229=5 QD2 LEU 114 - QG1 VAL 104 lone 3 100 - 3 - 10446/2.1=2 QD2 LEU 4 - QG1 VAL 104 lone 2 97 - 2 - QD1 ILE 56 - QG1 VAL 104 lone 2 92 - 2 - Peak 10231 from cnoeabs.peaks (0.79, 0.93, 20.69 ppm; 3.14 A): 3 out of 7 assignments used, quality = 0.95: QD2 LEU 80 + QG1 VAL 104 OK 74 94 - 78 - 11091/2.1=17, ~11092=12...(24) QD1 LEU 80 + QG1 VAL 104 OK 73 92 - 80 - 11092/2.1=22...(24) QD1 LEU 82 + QG1 VAL 104 OK 26 97 - 27 - 11491/10236=5, ~10973=4...(10) QD1 LEU 81 - QG1 VAL 104 lone 9 99 - 9 - 10267/4.2=3, 10222/2.1=1 QD2 LEU 64 - QG1 VAL 104 lone 5 100 - 5 - 11270/10229=1 QD1 ILE 7 - QG1 VAL 104 lone 1 65 - 2 - QG1 VAL 29 - QG1 VAL 104 lone 1 77 - 1 - Peak 10232 from cnoeabs.peaks (2.36, 0.93, 20.69 ppm; 4.56 A): 1 out of 4 assignments used, quality = 0.58: HG2 GLU 98 + QG1 VAL 104 OK 58 81 - 73 - 1.8/10233=30...(11) HG3 GLN 100 - QG1 VAL 104 lone 8 87 - 9 - 1.8/10233=4, 3.0/11454=1 HB3 TYR 27 - QG1 VAL 104 lone 7 94 - 7 - 2.5/4585=3, 4.4/9226=1 HG2 GLU 13 - QG1 VAL 104 lone 4 100 - 4 - 3.0/11455=1 Peak 10233 from cnoeabs.peaks (2.44, 0.93, 20.69 ppm; 4.54 A): 2 out of 7 assignments used, quality = 0.75: HG3 GLU 98 + QG1 VAL 104 OK 73 99 - 73 - 1.8/10232=29...(11) HG2 GLN 100 + QG1 VAL 104 OK 10 100 - 10 - 1.8/10232=4...(3) HG2 GLU 37 - QG1 VAL 104 lone 6 100 - 6 - 3.0/11455=1, 9367/2.1=1 HG3 GLU 119 - QG1 VAL 104 lone 2 70 - 2 - HG3 GLU 69 - QG1 VAL 104 lone 1 99 - 1 - HG3 GLU 41 - QG1 VAL 104 lone 1 70 - 2 - HG2 MET 1 - QG1 VAL 104 lone 1 84 - 1 - Peak 10234 from cnoeabs.peaks (2.92, 0.93, 20.69 ppm; 4.54 A): 4 out of 17 assignments used, quality = 0.66: HE3 LYS 94 + QG1 VAL 104 OK 42 99 - 43 - 5.7/10236=19...(7) HE3 LYS 115 + QG1 VAL 104 OK 19 84 - 22 - 3.7/10227=8, 3.7/10228=7...(4) HE2 LYS 115 + QG1 VAL 104 OK 19 84 - 22 - 3.7/10227=8, 3.7/10228=7...(4) HB2 ASP 86 + QG1 VAL 104 OK 11 99 - 11 - 4.0/11511=6, 4.6/6379=2 HE2 LYS 65 - QG1 VAL 104 lone 8 98 - 8 - 3.7/10981=4 HE3 LYS 65 - QG1 VAL 104 lone 8 98 - 8 - 3.7/10981=4 HE3 LYS 96 - QG1 VAL 104 lone 4 96 - 4 - 3.8/10227=3 HE2 LYS 96 - QG1 VAL 104 lone 4 96 - 4 - 3.8/10227=3 HE2 LYS 44 - QG1 VAL 104 lone 2 96 - 2 - HE3 LYS 44 - QG1 VAL 104 lone 2 96 - 2 - HD3 ARG 30 - QG1 VAL 104 lone 2 90 - 2 - HE3 LYS 16 - QG1 VAL 104 lone 1 87 - 2 - HE2 LYS 16 - QG1 VAL 104 lone 1 87 - 2 - HB2 ASN 33 - QG1 VAL 104 lone 1 87 - 1 - HB2 ASP 34 - QG1 VAL 104 lone 1 84 - 1 - HB2 ASN 10 - QG1 VAL 104 lone 1 73 - 1 - HB3 ASN 88 - QG1 VAL 104 lone 1 70 - 1 - Peak 10235 from cnoeabs.peaks (3.04, 0.93, 20.69 ppm; 5.17 A): 0 out of 3 assignments used, low quality = 0.45: HB3 PHE 93 - QG1 VAL 104 OK 45 100 - 45 - 10089/2.1=13, ~4668=11...(6) HB2 ASN 11 - QG1 VAL 104 lone 1 87 - 2 - HB2 PHE 51 - QG1 VAL 104 lone 1 87 - 1 - Peak 10236 from cnoeabs.peaks (3.63, 0.93, 20.69 ppm; 4.12 A): 1 out of 1 assignment used, quality = 0.49: HA LYS 94 + QG1 VAL 104 OK 49 90 - 55 - 3.0/11454=10...(18) Peak 10238 from cnoeabs.peaks (4.33, 0.93, 20.69 ppm; 4.77 A): 3 out of 7 assignments used, quality = 0.92: HA GLU 98 + QG1 VAL 104 OK 80 92 - 87 - 10161/2.1=28...(14) HA PHE 93 + QG1 VAL 104 OK 38 81 - 47 - 3.0/10235=28...(5) HA GLN 85 + QG1 VAL 104 OK 35 96 - 36 - 3.0/11455=9, 11411/2.1=9...(7) HA GLN 100 - QG1 VAL 104 lone 6 73 - 9 - 4.1/10233=3, 4.1/10232=3 HA SER 99 - QG1 VAL 104 lone 6 70 - 9 - 6228/10233=2...(4) HA LYS 49 - QG1 VAL 104 lone 2 96 - 2 - HB THR 9 - QG1 VAL 104 lone 1 99 - 1 - Peak 10239 from cnoeabs.peaks (4.52, 1.95, 34.17 ppm; 5.59 A): 2 out of 3 assignments used, quality = 0.63: HA GLU 103 + HB VAL 104 OK 51 87 - 58 - 3.6/1689=38...(4) HA ASP 84 + HB VAL 104 OK 26 70 - 37 - 10242/2.1=9, 10240/3.0=8...(7) HA ASP 36 - HB VAL 104 lone 7 100 - 7 - 10240/3.0=2, 8038=1, 10242/2.1=1 Peak 10240 from cnoeabs.peaks (4.51, 5.23, 59.28 ppm; 5.95 A): 3 out of 4 assignments used, quality = 0.88: HA GLU 103 + HA VAL 104 OK 78 96 - 82 - 7831/3.0=44, ~660=31...(6) HA ASP 84 + HA VAL 104 OK 35 84 - 41 - 10239/3.0=12...(7) HA GLN 28 + HA VAL 104 OK 17 73 - 23 - 9240/3.2=8, 10242/3.2=6...(5) HA ASP 36 - HA VAL 104 lone 7 99 - 7 - 10239/3.0=3, 10242/3.2=1 Peak 10241 from cnoeabs.peaks (4.90, 0.93, 20.69 ppm; 5.31 A): 2 out of 3 assignments used, quality = 0.83: HA ARG 105 + QG1 VAL 104 OK 75 87 - 87 - 3.0/666=42, ~664=27...(9) HA LEU 82 + QG1 VAL 104 OK 32 96 - 34 - ~9967=8, ~9968=8...(6) HA ILE 57 - QG1 VAL 104 lone 5 94 - 5 - ~9569=1, 3.0/11507=1 Peak 10242 from cnoeabs.peaks (4.51, 0.93, 20.69 ppm; 5.11 A): 3 out of 4 assignments used, quality = 0.81: HA GLU 103 + QG1 VAL 104 OK 61 100 - 61 - 7831/3.9=41...(4) HA ASP 84 + QG1 VAL 104 OK 36 99 - 37 - 10243/2.1=10...(8) HA GLN 28 + QG1 VAL 104 OK 22 97 - 23 - 9240/2.1=11, ~9235=4...(5) HA ASP 36 - QG1 VAL 104 lone 5 84 - 6 - 10239/2.1=2, 10240/3.2=1 Peak 10243 from cnoeabs.peaks (4.50, 0.88, 22.01 ppm; 4.49 A): 4 out of 6 assignments used, quality = 0.86: HA GLN 28 + QG2 VAL 29 OK 44 63 - 69 - 158/4.0=36, 10675/3.2=29...(4) HA GLU 103 + QG2 VAL 104 OK 42 92 - 46 - 3.6/1691=32...(4) HA ASP 84 + QG2 VAL 104 OK 42 99 - 42 - 10026=10, 10242/2.1=8...(10) HA GLN 28 + QG2 VAL 104 OK 24 100 - 24 - 9240=11, 10242/2.1=5...(6) HA ASP 84 - QG2 VAL 29 lone 2 61 - 4 - HA GLU 103 - QG2 VAL 29 lone 2 53 - 4 - 10216=1 Peak 10244 from cnoeabs.peaks (6.73, 0.88, 22.01 ppm; 6.20 A): 0 out of 6 assignments used, low quality = 0.41: QE TYR 102 - QG2 VAL 104 OK 31 65 - 47 - 2.2/10245=25...(4) QD PHE 79 - QG2 VAL 104 OK 15 81 - 19 - 3.8/10245=7, 4644/2.1=4...(6) QD PHE 79 - QG2 VAL 29 poor 5 44 - 11 - 4644/2.1=3, 3.8/10245=3, ~9911=2 QE TYR 102 - QG2 VAL 29 lone 3 35 - 9 - 2.2/10245=3, 4.4/11670=2 QE TYR 76 - QG2 VAL 104 lone 2 61 - 3 - QE TYR 76 - QG2 VAL 29 lone 1 32 - 2 - Peak 10245 from cnoeabs.peaks (6.99, 0.88, 22.01 ppm; 6.20 A): 2 out of 4 assignments used, quality = 0.69: QD TYR 102 + QG2 VAL 104 OK 61 96 - 64 - 2.2/10244=22...(9) HZ PHE 79 + QG2 VAL 104 OK 21 100 - 21 - 3.8/10244=9, 4663/2.1=6...(6) HZ PHE 79 - QG2 VAL 29 poor 7 63 - 12 - 4663/2.1=4, 3.8/10244=3, ~9911=2 QD TYR 102 - QG2 VAL 29 poor 7 57 - 13 - 2.5/11670=3, 2.5/11669=3...(4) Peak 10246 from cnoeabs.peaks (7.15, 0.88, 22.01 ppm; 6.20 A): 2 out of 4 assignments used, quality = 0.49: QE PHE 93 + QG2 VAL 104 OK 43 84 - 51 - 2.2/4668=18...(9) QE PHE 120 + QG2 VAL 104 OK 11 87 - 12 - 9934/11091=5, 4723/10244=2 QE PHE 93 - QG2 VAL 29 poor 8 47 - 17 - 2.2/10093=4, 4.4/10088=2...(7) QE PHE 120 - QG2 VAL 29 lone 2 49 - 4 - Peak 10250 from cnoeabs.peaks (7.01, 1.82, 32.95 ppm; 6.20 A): 3 out of 5 assignments used, quality = 0.93: HZ PHE 120 + HB3 ARG 105 OK 87 94 - 93 - 4701/4.1=38...(13) HE22 GLN 28 + HB3 ARG 105 OK 25 100 - 25 - 10253/3.0=6, 10258/3.8=6...(6) HD22 ASN 33 + HB3 ARG 105 OK 24 92 - 26 - 10253/3.0=6, 10258/3.8=6...(6) HD22 ASN 88 - HB3 ARG 105 poor 10 65 - 15 - 10253/3.0=3, 10255/3.0=3...(5) HZ PHE 79 - HB3 ARG 105 lone 3 57 - 5 - Peak 10252 from cnoeabs.peaks (7.13, 1.80, 26.58 ppm; 5.44 A): 3 out of 3 assignments used, quality = 0.91: QE PHE 120 + HG2 ARG 105 OK 86 94 - 91 - 2.2/10253=26...(14) QE PHE 93 + HG2 ARG 105 OK 24 96 - 25 - 10254/1.8=5, 10257/3.0=5...(7) QD PHE 51 + HG2 ARG 105 OK 16 99 - 16 - 10254/1.8=6, 11414/3.0=5...(4) Peak 10253 from cnoeabs.peaks (7.02, 1.80, 26.58 ppm; 5.20 A): 1 out of 4 assignments used, quality = 0.92: HZ PHE 120 + HG2 ARG 105 OK 92 100 - 92 - 10255/1.8=29...(13) HD22 ASN 33 - HG2 ARG 105 OK 22 99 - 22 - 10255/1.8=6, 10258/3.0=5...(6) HE22 GLN 28 - HG2 ARG 105 OK 22 100 - 22 - 10255/1.8=6, 10258/3.0=5...(6) HD22 ASN 88 - HG2 ARG 105 OK 11 87 - 12 - 10255/1.8=3, 10258/3.0=2...(5) Peak 10254 from cnoeabs.peaks (7.12, 1.75, 26.58 ppm; 5.70 A): 3 out of 3 assignments used, quality = 0.71: QE PHE 120 + HG3 ARG 105 OK 61 65 - 93 - 2.2/10255=30...(15) QD PHE 51 + HG3 ARG 105 OK 15 99 - 15 - 11414/3.0=6, 10252/1.8=5...(4) QE PHE 93 + HG3 ARG 105 OK 14 70 - 20 - 10252/1.8=7, 11414/3.0=5...(5) Peak 10255 from cnoeabs.peaks (7.02, 1.75, 26.58 ppm; 4.77 A): 3 out of 4 assignments used, quality = 0.91: HZ PHE 120 + HG3 ARG 105 OK 87 100 - 87 - 4714/1.8=25, 4701/4.9=24...(14) HD22 ASN 33 + HG3 ARG 105 OK 19 100 - 19 - 10253/1.8=5, 10258/3.0=4...(5) HE22 GLN 28 + HG3 ARG 105 OK 18 98 - 18 - 10253/1.8=5, 10258/3.0=4...(5) HD22 ASN 88 - HG3 ARG 105 lone 9 94 - 10 - 10253/1.8=3, 10258/3.0=2...(5) Peak 10256 from cnoeabs.peaks (7.61, 3.52, 41.44 ppm; 5.07 A): 1 out of 1 assignment used, quality = 0.84: HE ARG 105 + HD2 ARG 105 OK 84 84 - 100 - 2.9=100 Peak 10257 from cnoeabs.peaks (7.13, 3.52, 41.44 ppm; 5.65 A): 3 out of 3 assignments used, quality = 0.90: QE PHE 120 + HD2 ARG 105 OK 87 99 - 87 - 2.2/10258=25...(12) QE PHE 93 + HD2 ARG 105 OK 17 100 - 17 - 10252/3.0=7, 10254/3.0=3...(5) QD PHE 51 + HD2 ARG 105 OK 13 94 - 13 - 10252/3.0=5, 10254/3.0=4 Peak 10258 from cnoeabs.peaks (7.01, 3.52, 41.44 ppm; 5.46 A): 4 out of 4 assignments used, quality = 0.93: HZ PHE 120 + HD2 ARG 105 OK 88 99 - 88 - 2.2/10257=28...(11) HD22 ASN 33 + HD2 ARG 105 OK 22 99 - 23 - 10255/3.0=6, 10253/3.0=6...(5) HE22 GLN 28 + HD2 ARG 105 OK 22 100 - 22 - 10253/3.0=5, 10255/3.0=5...(5) HD22 ASN 88 + HD2 ARG 105 OK 11 84 - 12 - 10255/3.0=3, 10253/3.0=3...(5) Peak 10259 from cnoeabs.peaks (7.59, 3.34, 41.44 ppm; 5.63 A): 1 out of 1 assignment used, quality = 0.94: HE ARG 105 + HD3 ARG 105 OK 94 94 - 100 - 2.9=100 Peak 10261 from cnoeabs.peaks (7.02, 3.34, 41.44 ppm; 6.20 A): 2 out of 4 assignments used, quality = 0.93: HZ PHE 120 + HD3 ARG 105 OK 91 99 - 92 - 4701/6.0=30...(11) HD22 ASN 33 + HD3 ARG 105 OK 25 99 - 26 - 10258/1.8=7, 10255/3.0=6...(5) HE22 GLN 28 - HD3 ARG 105 OK 22 90 - 25 - 10258/1.8=6, 10255/3.0=6...(5) HD22 ASN 88 - HD3 ARG 105 OK 14 99 - 14 - 10255/3.0=3, 10258/1.8=3...(5) Peak 10272 from cnoeabs.peaks (0.04, 1.82, 32.95 ppm; 5.54 A): 1 out of 1 assignment used, quality = 0.97: QG2 ILE 116 + HB3 ARG 105 OK 97 99 - 97 - 10273/3.0=42...(16) Peak 10273 from cnoeabs.peaks (0.04, 1.80, 26.58 ppm; 4.58 A): 1 out of 1 assignment used, quality = 0.94: QG2 ILE 116 + HG2 ARG 105 OK 94 100 - 94 - 10274/1.8=39...(17) Peak 10274 from cnoeabs.peaks (0.04, 1.75, 26.58 ppm; 4.63 A): 1 out of 1 assignment used, quality = 0.92: QG2 ILE 116 + HG3 ARG 105 OK 92 100 - 92 - 10273/1.8=40...(18) Peak 10275 from cnoeabs.peaks (0.67, 3.52, 41.44 ppm; 5.48 A): 4 out of 7 assignments used, quality = 0.86: QD1 ILE 116 + HD2 ARG 105 OK 75 84 - 89 - 3.0/10276=34, ~10278=26...(11) QD2 LEU 114 + HD2 ARG 105 OK 28 100 - 28 - 10277/1.8=9, ~11019=7...(7) QD1 ILE 56 + HD2 ARG 105 OK 14 98 - 14 - 10277/1.8=5, 9547/3.8=4...(5) QG2 ILE 97 + HD2 ARG 105 OK 11 77 - 15 - 10114/3.8=4, 11107/3.0=3...(6) QD2 LEU 4 - HD2 ARG 105 lone 5 90 - 5 - 10277/1.8=1, 11714/7845=1 QD1 ILE 71 - HD2 ARG 105 lone 4 84 - 5 - 10277/1.8=2 QD1 LEU 55 - HD2 ARG 105 lone 4 70 - 5 - ~11487=1, 11015/3.8=1 Peak 10276 from cnoeabs.peaks (0.04, 3.52, 41.44 ppm; 5.53 A): 1 out of 1 assignment used, quality = 0.97: QG2 ILE 116 + HD2 ARG 105 OK 97 99 - 97 - 10273/3.0=42...(13) Peak 10277 from cnoeabs.peaks (0.66, 3.34, 41.44 ppm; 5.14 A): 3 out of 6 assignments used, quality = 0.72: QD1 ILE 116 + HD3 ARG 105 OK 59 70 - 85 - 3.0/10278=30, ~10276=23...(12) QD2 LEU 114 + HD3 ARG 105 OK 22 97 - 23 - 10275/1.8=7, ~11019=6...(7) QD1 ILE 56 + HD3 ARG 105 OK 13 100 - 12 - 10275/1.8=4, 9547/3.8=3...(5) QG2 ILE 97 - HD3 ARG 105 poor 7 61 - 11 - 10275/1.8=3, 10114/3.8=3...(5) QD1 ILE 71 - HD3 ARG 105 lone 4 94 - 4 - 10275/1.8=1 QD2 LEU 4 - HD3 ARG 105 lone 3 77 - 4 - 10275/1.8=1 Peak 10278 from cnoeabs.peaks (0.04, 3.34, 41.44 ppm; 5.63 A): 1 out of 1 assignment used, quality = 0.92: QG2 ILE 116 + HD3 ARG 105 OK 92 96 - 96 - 10276/1.8=42...(11) Peak 10282 from cnoeabs.peaks (0.87, 5.58, 53.87 ppm; 4.24 A): 2 out of 10 assignments used, quality = 0.94: QG2 VAL 107 + HA LYS 106 OK 78 99 - 79 - 4.0/677=33, 2.1/10311=26...(14) QD2 LEU 90 + HA LYS 106 OK 72 92 - 79 - 2.1/11574=29, 10072=25...(19) QG2 VAL 104 - HA LYS 106 OK 18 87 - 21 - 3.2/9928=5, 10279/3.0=5...(6) HG13 ILE 57 - HA LYS 106 OK 16 84 - 19 - ~7584=3, ~1704=3...(8) QG1 VAL 32 - HA LYS 106 OK 14 99 - 14 - 1713/3.6=2, 10930/3.9=2...(7) QG2 THR 9 - HA LYS 106 OK 14 94 - 14 - 9116/3.0=4, 9116/3.0=4...(4) QG2 VAL 117 - HA LYS 106 lone 7 97 - 7 - 10521/9975=1, 10522/3.9=1 QD1 LEU 14 - HA LYS 106 lone 4 84 - 5 - 1713/3.6=1 QD2 LEU 38 - HA LYS 106 lone 3 70 - 4 - QG2 VAL 22 - HA LYS 106 lone 1 65 - 1 - Peak 10283 from cnoeabs.peaks (0.78, 5.58, 53.87 ppm; 3.62 A): 6 out of 10 assignments used, quality = 0.90: QG1 VAL 107 + HA LYS 106 OK 49 84 - 58 - 4.0/677=25, 10311=14...(13) QD1 LEU 82 + HA LYS 106 OK 46 100 - 46 - 4.6/9974=17, 3.1/9976=13...(10) QD1 LEU 81 + HA LYS 106 OK 44 84 - 52 - 11401=26, 4.9/9974=15...(7) QD1 ILE 7 + HA LYS 106 OK 13 94 - 14 - 10280/3.0=2, ~9089=2...(6) QD2 LEU 80 + HA LYS 106 OK 12 100 - 12 - 10280/3.0=2, 9930/9928=1 QD1 LEU 80 + HA LYS 106 OK 12 100 - 12 - 10280/3.0=2...(4) QG2 VAL 32 - HA LYS 106 lone 7 84 - 8 - 2.1/10282=2, 1714/3.6=1 QD2 LEU 14 - HA LYS 106 lone 3 84 - 4 - 1714/3.6=1 QD2 LEU 64 - HA LYS 106 lone 2 97 - 2 - QD1 ILE 15 - HA LYS 106 lone 1 87 - 2 - Peak 10284 from cnoeabs.peaks (0.87, 1.72, 35.30 ppm; 4.17 A): 4 out of 20 assignments used, quality = 1.00: QG2 VAL 107 + HB2 LYS 106 OK 76 99 - 77 - 10306/3.0=22...(16) QG2 VAL 107 + HB3 LYS 106 OK 76 99 - 76 - 10306/3.0=22...(16) QD2 LEU 90 + HB2 LYS 106 OK 72 92 - 78 - 10072/3.0=21...(16) QD2 LEU 90 + HB3 LYS 106 OK 71 91 - 78 - 10072/3.0=21...(16) QG2 THR 9 - HB2 LYS 106 OK 17 94 - 18 - 9116=5, 9116/1.8=5...(8) QG2 THR 9 - HB3 LYS 106 OK 16 93 - 18 - 9116=5, 9116/1.8=5...(8) QG1 VAL 32 - HB2 LYS 106 OK 15 99 - 15 - 10930/2.9=2, 10282/3.0=2...(9) QG1 VAL 32 - HB3 LYS 106 OK 15 98 - 15 - 10930/2.9=2, 10282/3.0=2...(9) QG2 VAL 104 - HB2 LYS 106 OK 13 87 - 15 - 10279/4.0=4, ~9928=3...(5) QG2 VAL 104 - HB3 LYS 106 OK 13 86 - 15 - 10279/4.0=4, ~9928=3...(5) QG2 VAL 117 - HB2 LYS 106 lone 8 97 - 8 - 10522/2.9=1 QG2 VAL 117 - HB3 LYS 106 lone 8 96 - 8 - 10522/2.9=1 HG13 ILE 57 - HB2 LYS 106 lone 6 84 - 7 - 10282/3.0=2, 7585/4.0=2 HG13 ILE 57 - HB3 LYS 106 lone 6 83 - 7 - 10282/3.0=2, 7585/4.0=2 QD1 LEU 14 - HB2 LYS 106 lone 5 84 - 5 - QD1 LEU 14 - HB3 LYS 106 lone 4 83 - 5 - QD2 LEU 38 - HB2 LYS 106 lone 2 70 - 3 - QD2 LEU 38 - HB3 LYS 106 lone 2 69 - 3 - QG2 VAL 22 - HB2 LYS 106 lone 1 65 - 1 - QG2 VAL 22 - HB3 LYS 106 lone 1 65 - 1 - Peak 10285 from cnoeabs.peaks (0.78, 1.72, 35.30 ppm; 4.93 A): 6 out of 20 assignments used, quality = 0.99: QD1 LEU 81 + HB2 LYS 106 OK 57 94 - 60 - 11401/3.0=36...(7) QD1 LEU 81 + HB3 LYS 106 OK 56 93 - 60 - 11401/3.0=36...(7) QG1 VAL 107 + HB2 LYS 106 OK 56 70 - 80 - ~10306=22, 10311/3.0=19...(14) QG1 VAL 107 + HB3 LYS 106 OK 55 69 - 80 - ~10306=22, 10311/3.0=19...(14) QD1 LEU 82 + HB2 LYS 106 OK 52 100 - 52 - ~9976=17, ~9975=15...(9) QD1 LEU 82 + HB3 LYS 106 OK 52 100 - 52 - ~9976=17, ~9975=15...(9) QD1 LEU 80 - HB2 LYS 106 OK 15 99 - 15 - 10283/3.0=3, 10280/4.0=3...(7) QD1 LEU 80 - HB3 LYS 106 OK 15 98 - 15 - 10283/3.0=3, 10280/4.0=3...(7) QD2 LEU 80 - HB2 LYS 106 OK 15 99 - 15 - 10283/3.0=3, 10280/4.0=3...(7) QD2 LEU 80 - HB3 LYS 106 OK 15 99 - 15 - 10283/3.0=3, 10280/4.0=3...(7) QD1 ILE 7 - HB2 LYS 106 OK 14 84 - 17 - 10283/3.0=3, 10280/4.0=3...(7) QD1 ILE 7 - HB3 LYS 106 OK 14 83 - 17 - 10283/3.0=3, 10280/4.0=3...(7) QG2 VAL 32 - HB2 LYS 106 OK 12 70 - 17 - 10287/2.9=2, ~10286=2...(11) QG2 VAL 32 - HB3 LYS 106 OK 12 69 - 17 - 10287/2.9=2, ~10286=2...(11) QD2 LEU 14 - HB2 LYS 106 lone 6 70 - 8 - 1714/4.6=1, 4.0/9163=1 QD2 LEU 14 - HB3 LYS 106 lone 5 69 - 8 - 1714/4.6=1, 4.0/9163=1 QD2 LEU 64 - HB2 LYS 106 lone 3 100 - 3 - QD2 LEU 64 - HB3 LYS 106 lone 3 99 - 3 - QD1 ILE 15 - HB2 LYS 106 lone 3 73 - 4 - QD1 ILE 15 - HB3 LYS 106 lone 3 73 - 4 - Peak 10286 from cnoeabs.peaks (0.88, 1.46, 24.00 ppm; 4.36 A): 4 out of 8 assignments used, quality = 0.90: QD2 LEU 90 + HG2 LYS 106 OK 70 100 - 70 - 10072/3.9=22...(12) QG2 VAL 107 + HG2 LYS 106 OK 54 84 - 64 - 10306/3.9=17, 4.0/680=16...(13) QG2 VAL 104 + HG2 LYS 106 OK 14 100 - 15 - 10279/5.0=4, 10288/1.8=3 QG1 VAL 32 + HG2 LYS 106 OK 12 81 - 15 - 10288/1.8=3, 10930=2...(8) QG2 THR 9 - HG2 LYS 106 poor 7 65 - 11 - 9116/2.9=2, 9116/2.9=2...(4) QG2 VAL 117 - HG2 LYS 106 lone 6 73 - 8 - 2.1/11673=2, 10288/1.8=1 QD2 LEU 38 - HG2 LYS 106 lone 5 96 - 5 - QG2 VAL 29 - HG2 LYS 106 lone 2 77 - 2 - Peak 10287 from cnoeabs.peaks (0.77, 1.46, 24.00 ppm; 5.38 A): 4 out of 11 assignments used, quality = 0.92: QG1 VAL 107 + HG2 LYS 106 OK 75 94 - 80 - 10311/3.9=29...(12) QD1 LEU 82 + HG2 LYS 106 OK 37 98 - 38 - ~9966=11, 10283/3.9=10...(8) QD1 LEU 81 + HG2 LYS 106 OK 32 70 - 46 - 11401/3.9=23...(10) QD1 ILE 7 + HG2 LYS 106 OK 21 99 - 21 - 10289/1.8=3, 11617/3.0=3...(7) QD1 LEU 80 - HG2 LYS 106 OK 18 100 - 18 - 10289/1.8=3, 10280/5.0=3...(8) QG2 VAL 32 - HG2 LYS 106 OK 18 94 - 19 - 2.1/10286=3, 10289/1.8=3...(8) QD2 LEU 80 - HG2 LYS 106 OK 17 99 - 17 - 10283/3.9=3, 10280/5.0=3...(7) QD2 LEU 14 - HG2 LYS 106 lone 6 94 - 6 - 10289/1.8=1 QD1 ILE 15 - HG2 LYS 106 lone 4 96 - 4 - QD2 LEU 64 - HG2 LYS 106 lone 3 90 - 4 - QD1 LEU 45 - HG2 LYS 106 lone 1 65 - 2 - Peak 10288 from cnoeabs.peaks (0.88, 1.40, 24.00 ppm; 4.42 A): 4 out of 8 assignments used, quality = 0.91: QD2 LEU 90 + HG3 LYS 106 OK 72 100 - 72 - 10072/3.9=23, ~11568=22...(13) QG2 VAL 107 + HG3 LYS 106 OK 56 84 - 67 - 10306/3.9=17, 4.0/681=16...(13) QG2 VAL 104 + HG3 LYS 106 OK 15 100 - 15 - 10279/5.0=4, 10286/1.8=3 QG1 VAL 32 + HG3 LYS 106 OK 12 81 - 15 - 10286/1.8=3, 2.1/10289=2...(8) QG2 THR 9 - HG3 LYS 106 poor 7 65 - 11 - 9116/2.9=2, 9116/2.9=2...(4) QG2 VAL 117 - HG3 LYS 106 lone 7 73 - 9 - 10286/1.8=1, ~11673=1 QD2 LEU 38 - HG3 LYS 106 lone 4 96 - 4 - 10286/1.8=1 QG2 VAL 29 - HG3 LYS 106 lone 2 77 - 2 - Peak 10289 from cnoeabs.peaks (0.77, 1.40, 24.00 ppm; 5.94 A): 3 out of 10 assignments used, quality = 0.92: QG1 VAL 107 + HG3 LYS 106 OK 83 99 - 83 - 10311/3.9=37...(12) QD1 LEU 82 + HG3 LYS 106 OK 39 90 - 43 - 3.1/9966=16...(8) QD1 ILE 7 + HG3 LYS 106 OK 22 100 - 22 - 10287/1.8=4, 11617/3.0=4...(6) QG2 VAL 32 - HG3 LYS 106 OK 21 99 - 21 - 10287/1.8=3, 2.1/10288=3...(8) QD1 LEU 80 - HG3 LYS 106 OK 18 96 - 18 - 10287/1.8=3, 10280/5.0=3...(6) QD2 LEU 80 - HG3 LYS 106 OK 16 94 - 17 - 10287/1.8=3, 10280/5.0=3...(5) QD2 LEU 14 - HG3 LYS 106 lone 8 99 - 8 - 10287/1.8=1 QD1 ILE 15 - HG3 LYS 106 lone 6 100 - 5 - QD2 LEU 64 - HG3 LYS 106 lone 3 73 - 4 - QD1 LEU 45 - HG3 LYS 106 lone 2 84 - 2 - Peak 10290 from cnoeabs.peaks (0.86, 1.56, 29.23 ppm; 3.94 A): 4 out of 20 assignments used, quality = 0.82: QG2 VAL 107 + HD3 LYS 106 OK 41 99 - 41 - 10898/3.0=13...(9) QG2 VAL 107 + HD2 LYS 106 OK 41 99 - 41 - 10898/3.0=13...(9) QD2 LEU 90 + HD3 LYS 106 OK 28 61 - 46 - ~11568=13, ~11572=7...(14) QD2 LEU 90 + HD2 LYS 106 OK 28 61 - 46 - ~11568=13, ~11572=7...(14) QG1 VAL 32 - HD3 LYS 106 lone 9 99 - 9 - 10930/3.0=2, ~10289=1 QG1 VAL 32 - HD2 LYS 106 lone 9 99 - 9 - 10930/3.0=2, ~10289=1 QG2 THR 9 - HD3 LYS 106 lone 9 100 - 9 - 9116/3.6=3, 9116/3.6=3 QG2 THR 9 - HD2 LYS 106 lone 9 100 - 9 - 9116/3.6=3, 9116/3.6=3 QG2 VAL 117 - HD3 LYS 106 lone 5 100 - 5 - 10522/3.0=1 QG2 VAL 117 - HD2 LYS 106 lone 5 100 - 5 - 10522/3.0=1 HG13 ILE 57 - HD3 LYS 106 lone 3 99 - 3 - 7585/6.1=1 HG13 ILE 57 - HD2 LYS 106 lone 3 99 - 3 - 7585/6.1=1 QD1 LEU 14 - HD3 LYS 106 lone 2 99 - 2 - QD1 LEU 14 - HD2 LYS 106 lone 2 99 - 2 - QG2 ILE 15 - HD3 LYS 106 lone 1 73 - 2 - QG2 ILE 15 - HD2 LYS 106 lone 1 73 - 2 - HG13 ILE 5 - HD3 LYS 106 lone 1 70 - 1 - HG13 ILE 5 - HD2 LYS 106 lone 1 69 - 1 - QG2 VAL 22 - HD3 LYS 106 lone 1 94 - 1 - QG2 VAL 22 - HD2 LYS 106 lone 1 94 - 1 - Peak 10293 from cnoeabs.peaks (8.86, 5.58, 53.87 ppm; 4.41 A): 1 out of 2 assignments used, quality = 0.83: * H LEU 82 + HA LYS 106 OK 83 100 - 83 - 9974=50, 4.9/11401=22...(9) H SER 35 - HA LYS 106 lone 2 99 - 2 - Peak 10295 from cnoeabs.peaks (8.22, 0.87, 20.76 ppm; 4.59 A): 4 out of 6 assignments used, quality = 0.83: H ASP 84 + QG2 VAL 107 OK 50 84 - 60 - 3.6/10305=19...(14) H GLU 112 + QG2 VAL 107 OK 39 73 - 53 - 10399=11, 3.0/10308=9...(15) H GLU 111 + QG2 VAL 107 OK 35 99 - 35 - 4.5/10399=9, 2.9/10308=6...(10) H LEU 38 + QG2 VAL 107 OK 14 77 - 18 - 11505=3, 3.0/11003=3...(7) H GLU 89 - QG2 VAL 107 lone 10 100 - 10 - 4.6/10297=3, 1932/10297=1 H ILE 15 - QG2 VAL 107 lone 4 57 - 7 - 3.6/10308=2 Peak 10296 from cnoeabs.peaks (8.10, 0.87, 20.76 ppm; 3.91 A): 0 out of 4 assignments used, low quality = 0.21: H PHE 93 - QG2 VAL 107 OK 21 97 - 22 - 582/2.1=7, 1936/4.2=5...(5) H GLU 92 - QG2 VAL 107 lone 7 96 - 7 - 2146/4.2=2, 575/2.1=2, 4.6/572=1 H SER 99 - QG2 VAL 107 lone 6 100 - 6 - 4.0/10308=1, 4.0/10308=1 H GLU 128 - QG2 VAL 107 lone 1 87 - 2 - Peak 10297 from cnoeabs.peaks (8.04, 0.87, 20.76 ppm; 3.94 A): 3 out of 8 assignments used, quality = 0.84: H ASP 109 + QG2 VAL 107 OK 75 96 - 78 - 10346/3.2=25, 10354=24...(10) H LYS 65 + QG2 VAL 107 OK 26 98 - 27 - 3.0/10307=6, 1065=5...(10) H LEU 90 + QG2 VAL 107 OK 13 100 - 14 - 1596=3, 4.0/11460=2...(6) H ARG 118 - QG2 VAL 107 poor 7 65 - 10 - 4.7/1769=1, 4.1/11460=1...(4) H THR 9 - QG2 VAL 107 lone 4 100 - 4 - H GLN 122 - QG2 VAL 107 lone 3 92 - 3 - H VAL 22 - QG2 VAL 107 lone 2 97 - 2 - H HIS 131 - QG2 VAL 107 lone 0 77 - 1 - Peak 10298 from cnoeabs.peaks (8.11, 0.76, 21.72 ppm; 4.71 A): 3 out of 4 assignments used, quality = 0.89: H ALA 113 + QG1 VAL 107 OK 73 94 - 78 - 3.0/10314=31, ~10307=19...(18) H VAL 117 + QG1 VAL 107 OK 37 87 - 42 - 4.3/11187=17...(6) H PHE 93 + QG1 VAL 107 OK 36 98 - 37 - 10296/2.1=18, 582/2.1=8...(6) H SER 99 - QG1 VAL 107 lone 6 92 - 7 - 10296/2.1=5 Peak 10305 from cnoeabs.peaks (5.26, 0.87, 20.76 ppm; 4.10 A): 2 out of 2 assignments used, quality = 0.88: HA GLN 83 + QG2 VAL 107 OK 75 100 - 75 - 10310/2.1=20...(17) HA LEU 81 + QG2 VAL 107 OK 52 94 - 55 - 4.3/11457=15...(10) Peak 10306 from cnoeabs.peaks (5.59, 0.87, 20.76 ppm; 5.09 A): 1 out of 1 assignment used, quality = 0.68: HA LYS 106 + QG2 VAL 107 OK 68 81 - 84 - 3.6/6545=39...(14) Peak 10307 from cnoeabs.peaks (3.80, 0.87, 20.76 ppm; 3.48 A): 3 out of 4 assignments used, quality = 0.73: HA ALA 113 + QG2 VAL 107 OK 64 100 - 64 - 10314/2.1=23...(11) HA LYS 65 + QG2 VAL 107 OK 17 98 - 17 - 10314/2.1=5, 3.0/10297=5...(5) HA LYS 115 + QG2 VAL 107 OK 11 100 - 11 - 3.0/10451=4, 10314/2.1=3 HA2 GLY 26 - QG2 VAL 107 lone 0 77 - 1 - Peak 10308 from cnoeabs.peaks (3.99, 0.87, 20.76 ppm; 5.80 A): 5 out of 7 assignments used, quality = 0.82: HA GLU 112 + QG2 VAL 107 OK 58 98 - 60 - 3.0/10399=16...(12) HA GLU 111 + QG2 VAL 107 OK 39 100 - 40 - 3.6/10399=15...(8) HB3 SER 99 + QG2 VAL 107 OK 12 99 - 12 - 4.0/10296=8, 4.5/10451=2 HB2 SER 99 + QG2 VAL 107 OK 12 99 - 12 - 4.0/10296=8, 4.5/10451=2 HA LEU 14 + QG2 VAL 107 OK 11 98 - 11 - ~10897=1, 10428/10898=1...(4) HA LYS 17 - QG2 VAL 107 lone 9 100 - 9 - 3.0/11459=2, 10476/11417=1 HA3 GLY 101 - QG2 VAL 107 lone 1 65 - 2 - Peak 10309 from cnoeabs.peaks (4.78, 0.76, 21.72 ppm; 5.11 A): 1 out of 3 assignments used, quality = 0.92: HA THR 108 + QG1 VAL 107 OK 92 99 - 92 - 2.9/690=28, ~687=25...(17) HA TYR 76 - QG1 VAL 107 lone 6 100 - 5 - 11296/10310=1, 10000/11020=1 HA PHE 51 - QG1 VAL 107 lone 2 61 - 3 - 3.7/4603=2 Peak 10310 from cnoeabs.peaks (5.26, 0.76, 21.72 ppm; 4.27 A): 2 out of 2 assignments used, quality = 0.89: HA GLN 83 + QG1 VAL 107 OK 77 100 - 77 - 10305/2.1=23...(16) HA LEU 81 + QG1 VAL 107 OK 52 94 - 55 - 10305/2.1=16...(9) Peak 10311 from cnoeabs.peaks (5.58, 0.76, 21.72 ppm; 5.09 A): 1 out of 1 assignment used, quality = 0.80: HA LYS 106 + QG1 VAL 107 OK 80 99 - 81 - 677/4.0=42, 10306/2.1=33...(14) Peak 10312 from cnoeabs.peaks (7.19, 0.76, 21.72 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.94: HE22 GLN 83 + QG1 VAL 107 OK 76 96 - 80 - 10313/2.1=24...(14) HE21 GLN 83 + QG1 VAL 107 OK 75 94 - 80 - 10313/2.1=24, ~10313=20...(14) Peak 10313 from cnoeabs.peaks (7.19, 0.87, 20.76 ppm; 5.21 A): 2 out of 2 assignments used, quality = 0.87: HE22 GLN 83 + QG2 VAL 107 OK 64 96 - 67 - 3.5/11021=15...(12) HE21 GLN 83 + QG2 VAL 107 OK 63 94 - 67 - 3.5/11021=15...(12) Peak 10314 from cnoeabs.peaks (3.80, 0.76, 21.72 ppm; 3.62 A): 2 out of 4 assignments used, quality = 0.74: HA ALA 113 + QG1 VAL 107 OK 69 99 - 69 - 10415=26, 10307/2.1=24...(11) HA LYS 65 + QG1 VAL 107 OK 15 92 - 16 - 10307/2.1=6, ~10297=3...(5) HA LYS 115 - QG1 VAL 107 lone 9 99 - 10 - 10307/2.1=4, ~10451=3 HA2 GLY 26 - QG1 VAL 107 lone 1 90 - 1 - Peak 10315 from cnoeabs.peaks (1.44, 2.12, 35.23 ppm; 4.48 A): 3 out of 36 assignments used, quality = 0.69: HB3 GLN 83 + HB VAL 107 OK 52 77 - 68 - ~10305=13, ~10310=13...(14) HB3 LEU 63 + HB VAL 107 OK 21 94 - 22 - 11260/2.1=4, ~11186=4...(7) HG12 ILE 56 + HB VAL 107 OK 18 96 - 18 - 2.1/9548=4, ~11417=4...(7) HG12 ILE 56 - HG2 GLU 21 poor 8 72 - 11 - 2.1/9548=3, ~11249=3...(4) HG12 ILE 56 - HG3 GLU 21 poor 7 63 - 11 - 2.1/9548=3, ~11249=3...(4) HG LEU 80 - HB VAL 107 lone 6 98 - 6 - 11089/2.1=1, ~11092=1 HB3 LEU 63 - HG2 GLU 21 lone 5 70 - 7 - 4723/5.0=3, ~8113=1 HB3 LEU 63 - HG3 GLU 21 lone 5 61 - 7 - 4723/5.0=3, ~8113=1 HG3 LYS 17 - HB VAL 107 lone 4 98 - 4 - HG3 LYS 44 - HB VAL 107 lone 2 100 - 2 - HG2 LYS 96 - HB VAL 107 lone 2 99 - 2 - HG3 LYS 17 - HG2 GLU 21 lone 2 75 - 2 - 10918/11416=1 HG3 LYS 44 - HG2 GLU 21 lone 1 78 - 2 - HB3 LEU 4 - HB VAL 107 lone 1 100 - 1 - HB2 LEU 4 - HB VAL 107 lone 1 100 - 1 - HG3 LYS 17 - HG3 GLU 21 lone 1 66 - 2 - 10918/11416=1 HG LEU 4 - HB VAL 107 lone 1 73 - 2 - HB3 LEU 4 - HG2 GLU 21 lone 1 79 - 2 - HB2 LEU 4 - HG2 GLU 21 lone 1 79 - 2 - HG3 LYS 44 - HG3 GLU 21 lone 1 69 - 2 - HB3 LEU 4 - HG3 GLU 21 lone 1 70 - 2 - HB2 LEU 4 - HG3 GLU 21 lone 1 70 - 2 - HG2 LYS 96 - HG2 GLU 21 lone 1 76 - 1 - HG3 ARG 30 - HB VAL 107 lone 1 70 - 1 - HG2 LYS 96 - HG3 GLU 21 lone 1 67 - 1 - HG LEU 4 - HG2 GLU 21 lone 1 51 - 2 - HB3 LYS 61 - HB VAL 107 lone 1 100 - 1 - HG LEU 4 - HG3 GLU 21 lone 1 44 - 2 - HB3 LYS 61 - HG2 GLU 21 lone 1 78 - 1 - HG LEU 80 - HG2 GLU 21 lone 1 75 - 1 - HB3 GLN 83 - HG2 GLU 21 lone 1 54 - 1 - HB3 LYS 61 - HG3 GLU 21 lone 1 69 - 1 - HG LEU 80 - HG3 GLU 21 lone 1 66 - 1 - HB3 GLN 83 - HG3 GLU 21 lone 0 47 - 1 - HG3 ARG 30 - HG2 GLU 21 lone 0 48 - 1 - HG3 ARG 30 - HG3 GLU 21 lone 0 41 - 1 - Peak 10316 from cnoeabs.peaks (1.70, 2.12, 35.23 ppm; 4.56 A): 3 out of 57 assignments used, quality = 0.85: HB3 LYS 106 + HB VAL 107 OK 61 84 - 73 - ~10306=18, ~10311=18...(15) HB2 LYS 106 + HB VAL 107 OK 56 77 - 73 - ~10306=18, ~10311=18...(15) HB ILE 56 + HB VAL 107 OK 14 84 - 16 - 3.2/9548=4, 2.9/10315=4...(7) HB ILE 56 - HG2 GLU 21 poor 7 60 - 11 - 3.2/9548=3, ~9548=2...(6) HB ILE 56 - HG3 GLU 21 poor 6 52 - 11 - 3.2/9548=3, ~9548=2...(6) HG3 LYS 39 - HB VAL 107 lone 5 100 - 5 - ~11039=2, ~11038=1 HG3 LYS 123 - HB VAL 107 lone 5 100 - 5 - HD3 LYS 39 - HB VAL 107 lone 4 100 - 4 - ~11039=2 HD2 LYS 39 - HB VAL 107 lone 4 99 - 4 - ~11039=2 HG3 LYS 123 - HG2 GLU 21 lone 3 78 - 4 - HG3 LYS 123 - HG3 GLU 21 lone 3 69 - 4 - HD2 LYS 20 - HG2 GLU 21 lone 2 57 - 4 - 6.2/9201=3 HD3 LYS 20 - HG2 GLU 21 lone 2 54 - 4 - 6.2/9201=3 HD3 LYS 16 - HB VAL 107 lone 2 84 - 2 - HD3 LYS 44 - HB VAL 107 lone 2 100 - 2 - HD2 LYS 44 - HB VAL 107 lone 2 100 - 2 - HD2 LYS 20 - HG3 GLU 21 lone 2 49 - 4 - 6.2/9201=3 HG12 ILE 71 - HB VAL 107 lone 2 96 - 2 - HD3 LYS 20 - HG3 GLU 21 lone 2 47 - 4 - 6.2/9201=3 HD2 LYS 16 - HB VAL 107 lone 2 73 - 2 - HD2 LYS 44 - HG2 GLU 21 lone 1 79 - 2 - HD3 LYS 44 - HG2 GLU 21 lone 1 79 - 2 - HD2 LYS 20 - HB VAL 107 lone 1 81 - 2 - HD3 LYS 20 - HB VAL 107 lone 1 77 - 2 - HD2 LYS 44 - HG3 GLU 21 lone 1 70 - 2 - HD3 LYS 44 - HG3 GLU 21 lone 1 70 - 2 - HD3 LYS 96 - HB VAL 107 lone 1 61 - 2 - HD3 LYS 16 - HG2 GLU 21 lone 1 60 - 2 - HG LEU 74 - HB VAL 107 lone 1 100 - 1 - HG12 ILE 71 - HG2 GLU 21 lone 1 72 - 1 - HG3 LYS 39 - HG2 GLU 21 lone 1 78 - 1 - HD2 LYS 73 - HB VAL 107 lone 1 70 - 1 - HD3 LYS 16 - HG3 GLU 21 lone 1 52 - 2 - HB3 LYS 106 - HG2 GLU 21 lone 1 60 - 1 - HD2 LYS 16 - HG2 GLU 21 lone 1 51 - 2 - HG12 ILE 71 - HG3 GLU 21 lone 1 63 - 1 - HD3 LYS 73 - HB VAL 107 lone 1 65 - 1 - HD3 LYS 39 - HG2 GLU 21 lone 1 78 - 1 - HD2 LYS 39 - HG2 GLU 21 lone 1 77 - 1 - HB2 LYS 106 - HG2 GLU 21 lone 1 54 - 1 - HG3 LYS 39 - HG3 GLU 21 lone 1 69 - 1 - HD2 LYS 16 - HG3 GLU 21 lone 1 44 - 2 - HB3 LYS 106 - HG3 GLU 21 lone 1 52 - 1 - HD3 LYS 39 - HG3 GLU 21 lone 1 69 - 1 - HD2 LYS 39 - HG3 GLU 21 lone 1 68 - 1 - HD3 LYS 96 - HG2 GLU 21 lone 1 42 - 2 - HG LEU 74 - HG2 GLU 21 lone 1 79 - 1 - HB2 LYS 106 - HG3 GLU 21 lone 1 47 - 1 - HD2 LYS 73 - HG2 GLU 21 lone 1 48 - 1 - HD3 LYS 43 - HB VAL 107 lone 1 65 - 1 - HG LEU 74 - HG3 GLU 21 lone 1 70 - 1 - HD3 LYS 96 - HG3 GLU 21 lone 1 36 - 2 - HD3 LYS 73 - HG2 GLU 21 lone 1 45 - 1 - HD2 LYS 73 - HG3 GLU 21 lone 0 41 - 1 - HD3 LYS 43 - HG2 GLU 21 lone 0 45 - 1 - HD3 LYS 73 - HG3 GLU 21 lone 0 39 - 1 - HD3 LYS 43 - HG3 GLU 21 lone 0 39 - 1 - Peak 10322 from cnoeabs.peaks (0.87, 1.25, 21.44 ppm; 3.69 A): 2 out of 10 assignments used, quality = 0.59: QG2 VAL 107 + QG2 THR 108 OK 52 99 - 52 - 4.2/1718=17...(9) QD2 LEU 90 + QG2 THR 108 OK 16 92 - 17 - 5811/2.1=3, 689/4.0=3...(6) QG1 VAL 32 - QG2 THR 108 lone 9 99 - 9 - 2.1/10323=2, 10354/4.4=1...(4) QD1 LEU 14 - QG2 THR 108 lone 8 84 - 10 - 2.1/10323=3, 10354/4.4=2...(5) QG2 VAL 104 - QG2 THR 108 lone 7 87 - 8 - 11411/10030=1, 11510/10045=1 HG13 ILE 57 - QG2 THR 108 lone 6 84 - 7 - ~9561=4, 11189/2.1=1, 689/4.0=1 QG2 VAL 117 - QG2 THR 108 lone 6 97 - 6 - 10354/4.4=2, 11189/2.1=1 QG2 THR 9 - QG2 THR 108 lone 5 94 - 5 - 2.1/10331=1 QD2 LEU 38 - QG2 THR 108 lone 4 70 - 6 - 4.4/10336=1 QG2 VAL 22 - QG2 THR 108 lone 1 65 - 2 - Peak 10323 from cnoeabs.peaks (0.75, 1.25, 21.44 ppm; 4.59 A): 2 out of 11 assignments used, quality = 0.60: QG1 VAL 107 + QG2 THR 108 OK 55 84 - 66 - 4.2/1718=27...(9) QD2 LEU 14 + QG2 THR 108 OK 11 84 - 14 - 2.1/10322=3, 690/4.0=2...(7) QG2 VAL 32 - QG2 THR 108 poor 9 84 - 10 - 2.1/10322=3, ~11189=2, 690/4.0=1 QG2 ILE 7 - QG2 THR 108 lone 6 98 - 6 - QD1 ILE 7 - QG2 THR 108 lone 5 70 - 7 - 690/4.0=2 QD1 ILE 15 - QG2 THR 108 lone 2 81 - 3 - QD1 LEU 63 - QG2 THR 108 lone 2 94 - 2 - QG2 ILE 54 - QG2 THR 108 lone 2 99 - 2 - QD2 LEU 6 - QG2 THR 108 lone 2 77 - 2 - QD1 LEU 45 - QG2 THR 108 lone 2 99 - 2 - QD2 LEU 55 - QG2 THR 108 lone 2 81 - 2 - Peak 10325 from cnoeabs.peaks (2.05, 1.25, 21.44 ppm; 4.51 A): 2 out of 18 assignments used, quality = 0.70: HB3 GLN 85 + QG2 THR 108 OK 53 81 - 65 - 3.0/10030=31...(7) HB3 GLU 87 + QG2 THR 108 OK 37 81 - 46 - 3.0/11410=17...(4) HB3 GLU 98 - QG2 THR 108 lone 9 100 - 9 - 1.8/11122=3, 2.9/10331=2...(4) HB2 GLU 13 - QG2 THR 108 lone 8 92 - 9 - 1.8/11122=3, ~11188=3 HB VAL 117 - QG2 THR 108 lone 6 97 - 6 - 2.1/10322=2, 7903/4.4=2 HB3 GLU 89 - QG2 THR 108 lone 5 81 - 7 - 4.0/10336=2, 3.0/10326=2 HB2 GLU 89 - QG2 THR 108 lone 5 81 - 7 - 4.0/10336=2, 3.0/10326=2 HB2 GLU 92 - QG2 THR 108 lone 5 100 - 5 - 3.0/10330=1, ~11190=1 HB2 LYS 94 - QG2 THR 108 lone 3 73 - 4 - 3.9/6563=3 HB2 GLU 47 - QG2 THR 108 lone 2 100 - 2 - HB3 GLN 100 - QG2 THR 108 lone 2 98 - 2 - HB2 GLU 66 - QG2 THR 108 lone 2 81 - 2 - HB3 MET 67 - QG2 THR 108 lone 2 99 - 2 - HB3 GLU 91 - QG2 THR 108 lone 1 77 - 2 - HB3 GLU 48 - QG2 THR 108 lone 1 81 - 1 - HB2 GLU 48 - QG2 THR 108 lone 1 81 - 1 - HB2 GLN 28 - QG2 THR 108 lone 1 96 - 1 - HG3 GLU 52 - QG2 THR 108 lone 1 92 - 1 - Peak 10326 from cnoeabs.peaks (2.30, 1.25, 21.44 ppm; 4.19 A): 2 out of 9 assignments used, quality = 0.65: HG2 GLU 87 + QG2 THR 108 OK 40 100 - 41 - 10974=15, 4.0/11410=13...(4) HG3 GLU 87 + QG2 THR 108 OK 40 100 - 41 - 10974=15, 4.0/11410=13...(4) HG3 GLU 13 - QG2 THR 108 lone 7 87 - 8 - ~11188=3, 3.0/11122=2 HG2 GLU 111 - QG2 THR 108 lone 6 90 - 6 - 5.2/10336=3, 10974=2 HG3 GLU 89 - QG2 THR 108 lone 5 84 - 6 - 5.2/10336=1, 7756/4.4=1...(4) HG2 GLU 92 - QG2 THR 108 lone 3 65 - 4 - 4.0/10330=1 HG2 GLU 47 - QG2 THR 108 lone 2 100 - 2 - HG3 GLU 91 - QG2 THR 108 lone 1 90 - 1 - HB2 MET 121 - QG2 THR 108 lone 1 96 - 1 - Peak 10328 from cnoeabs.peaks (2.68, 1.25, 21.44 ppm; 6.04 A): 0 out of 9 assignments used, low quality = 0.44: HB3 ASP 84 - QG2 THR 108 OK 26 65 - 39 - 4.1/10019=25...(3) HB3 ASP 110 - QG2 THR 108 OK 25 100 - 25 - 4.0/10338=14...(4) HE2 LYS 61 - QG2 THR 108 lone 2 99 - 2 - HE3 LYS 61 - QG2 THR 108 lone 2 96 - 2 - HB2 TYR 27 - QG2 THR 108 lone 2 61 - 3 - ~11188=1 HB3 ASN 33 - QG2 THR 108 lone 2 97 - 2 - HB2 TYR 76 - QG2 THR 108 lone 2 65 - 3 - HE2 LYS 19 - QG2 THR 108 lone 1 70 - 2 - HE3 LYS 19 - QG2 THR 108 lone 1 70 - 2 - Peak 10329 from cnoeabs.peaks (2.96, 1.25, 21.44 ppm; 5.00 A): 0 out of 16 assignments used, low quality = 0.00: HB3 PHE 51 - QG2 THR 108 lone 2 100 - 2 - HD3 ARG 118 - QG2 THR 108 lone 2 98 - 2 - HB3 ASN 24 - QG2 THR 108 lone 1 100 - 1 - HB2 ASN 24 - QG2 THR 108 lone 1 100 - 1 - HE3 LYS 40 - QG2 THR 108 lone 1 100 - 1 - HE3 LYS 20 - QG2 THR 108 lone 1 100 - 1 - HE2 LYS 20 - QG2 THR 108 lone 1 100 - 1 - HE2 LYS 40 - QG2 THR 108 lone 1 100 - 1 - HE3 LYS 106 - QG2 THR 108 lone 1 87 - 1 - HE2 LYS 106 - QG2 THR 108 lone 1 84 - 1 - HE3 LYS 43 - QG2 THR 108 lone 1 92 - 1 - HE3 LYS 73 - QG2 THR 108 lone 1 87 - 1 - HE2 LYS 39 - QG2 THR 108 lone 1 81 - 1 - HE2 LYS 43 - QG2 THR 108 lone 1 77 - 1 - HE3 LYS 39 - QG2 THR 108 lone 1 73 - 1 - HE2 LYS 73 - QG2 THR 108 lone 1 70 - 1 - Peak 10330 from cnoeabs.peaks (4.05, 1.25, 21.44 ppm; 5.60 A): 1 out of 11 assignments used, quality = 0.50: HA GLU 87 + QG2 THR 108 OK 50 87 - 58 - 11410=27, 4.0/10326=15...(5) HA GLU 37 - QG2 THR 108 poor 9 87 - 11 - 3.0/11122=4, 3.6/10336=4 HA SER 35 - QG2 THR 108 lone 6 100 - 6 - 8028/10019=1, 8028/10336=1 HA GLU 92 - QG2 THR 108 lone 5 77 - 6 - 3.0/10325=2, ~11190=1 HA GLU 69 - QG2 THR 108 lone 2 96 - 2 - HA2 GLY 125 - QG2 THR 108 lone 1 99 - 1 - HA LYS 44 - QG2 THR 108 lone 1 81 - 2 - HA GLU 119 - QG2 THR 108 lone 1 57 - 2 - HA3 GLY 125 - QG2 THR 108 lone 1 73 - 1 - HB3 SER 126 - QG2 THR 108 lone 1 70 - 1 - HA LYS 96 - QG2 THR 108 lone 1 65 - 2 - Peak 10331 from cnoeabs.peaks (4.32, 1.25, 21.44 ppm; 4.20 A): 2 out of 6 assignments used, quality = 0.58: HA GLN 85 + QG2 THR 108 OK 52 84 - 63 - 10030=33, 3.0/11122=14...(7) HA PHE 93 + QG2 THR 108 OK 12 61 - 20 - ~2149=5, ~8187=4...(6) HA GLU 98 - QG2 THR 108 lone 4 77 - 5 - 2.9/11122=2, 2.9/10325=2 HB THR 9 - QG2 THR 108 lone 4 100 - 4 - 2.1/10322=2 HA LYS 49 - QG2 THR 108 lone 1 100 - 1 - HA GLN 100 - QG2 THR 108 lone 1 90 - 1 - Peak 10332 from cnoeabs.peaks (4.34, 4.22, 69.97 ppm; 6.01 A): 2 out of 4 assignments used, quality = 0.78: HA GLN 85 + HB THR 108 OK 66 94 - 71 - 10030/2.1=39, ~11122=20...(6) HA PHE 93 + HB THR 108 OK 35 100 - 35 - 3.0/2149=10, 3.0/8187=9...(5) HA GLU 98 - HB THR 108 lone 10 97 - 10 - ~11122=3, ~10325=2, ~11409=1 HA SER 99 - HB THR 108 lone 2 100 - 2 - Peak 10334 from cnoeabs.peaks (7.21, 1.25, 21.44 ppm; 4.94 A): 3 out of 3 assignments used, quality = 0.80: HE21 GLN 83 + QG2 THR 108 OK 51 99 - 52 - 10014=17, 10002/3.2=16...(7) HE22 GLN 83 + QG2 THR 108 OK 51 99 - 52 - 10014=17, 10002/3.2=16...(7) QD PHE 93 + QG2 THR 108 OK 16 73 - 22 - ~8187=7, ~8189=7...(4) Peak 10336 from cnoeabs.peaks (8.21, 1.25, 21.44 ppm; 5.86 A): 4 out of 4 assignments used, quality = 0.91: H ASP 84 + QG2 THR 108 OK 81 99 - 82 - 10023/3.2=40, 10019=37...(10) H GLU 111 + QG2 THR 108 OK 33 100 - 33 - 4.6/10338=12...(6) H LEU 38 + QG2 THR 108 OK 18 97 - 18 - 3.6/10330=4, 4.7/11122=3...(5) H GLU 89 + QG2 THR 108 OK 17 90 - 19 - 1932/4.4=4, 10684/3.2=3...(6) Peak 10338 from cnoeabs.peaks (8.70, 1.25, 21.44 ppm; 5.31 A): 2 out of 3 assignments used, quality = 0.85: H ASP 86 + QG2 THR 108 OK 70 97 - 73 - 3.6/10030=35, 10045=30...(7) H ASP 110 + QG2 THR 108 OK 48 100 - 48 - 4.6/694=32, 4.0/10328=10...(7) H ARG 105 - QG2 THR 108 lone 6 97 - 6 - 4.2/10322=2 Peak 10342 from cnoeabs.peaks (8.22, 2.82, 43.69 ppm; 4.37 A): 3 out of 5 assignments used, quality = 0.88: H GLU 112 + HB2 ASP 109 OK 71 90 - 79 - 10403=36, 10402/1.8=31...(9) H GLU 111 + HB2 ASP 109 OK 53 92 - 57 - 4.6/697=25, 4.5/10403=19...(5) H GLU 89 + HB2 ASP 109 OK 16 100 - 16 - 10343/1.8=5, 1932/4.0=3...(7) H ASP 84 - HB2 ASP 109 lone 6 65 - 9 - 1953/4.4=4, 10343/1.8=3 H ILE 15 - HB2 ASP 109 lone 6 77 - 8 - 2180/4.4=3, 10343/1.8=2 Peak 10343 from cnoeabs.peaks (8.22, 2.73, 43.69 ppm; 4.13 A): 3 out of 6 assignments used, quality = 0.76: H GLU 112 + HB3 ASP 109 OK 48 73 - 66 - 10402=25, 10403/1.8=20...(9) H GLU 111 + HB3 ASP 109 OK 46 99 - 46 - 4.6/698=22, 4.5/10402=17...(4) H GLU 89 + HB3 ASP 109 OK 15 100 - 15 - 5.2/10362=4, 10342/1.8=4...(5) H ASP 84 - HB3 ASP 109 poor 9 84 - 11 - 1953/4.4=4, 4.6/10344=4 H ILE 15 - HB3 ASP 109 poor 6 57 - 10 - 2180/4.4=2, 4.6/9158=2...(4) H LEU 38 - HB3 ASP 109 lone 3 77 - 4 - 1953/4.4=1 Peak 10344 from cnoeabs.peaks (8.62, 2.73, 43.69 ppm; 5.45 A): 0 out of 7 assignments used, low quality = 0.44: H THR 108 - HB3 ASP 109 OK 33 73 - 45 - 4.6/1722=38, 4.2/10364=10 H GLN 85 - HB3 ASP 109 OK 16 100 - 16 - 1928/4.4=7, 691/4.0=3...(4) H LYS 94 - HB3 ASP 109 lone 5 81 - 7 - 691/4.0=2, 4.6/11123=2 H ASN 8 - HB3 ASP 109 lone 3 81 - 3 - 4.6/6575=1 H LEU 80 - HB3 ASP 109 lone 1 61 - 2 - H LYS 49 - HB3 ASP 109 lone 1 84 - 2 - H ALA 124 - HB3 ASP 109 lone 1 61 - 2 - Peak 10356 from cnoeabs.peaks (2.39, 2.82, 43.69 ppm; 4.97 A): 0 out of 9 assignments used, low quality = 0.10: HG2 GLU 66 - HB2 ASP 109 OK 10 100 - 10 - 3.0/10358=3, 3.0/11304=2...(4) HG3 GLN 85 - HB2 ASP 109 lone 6 90 - 6 - 7740/4.4=3, 3.0/11304=2 HG2 GLN 85 - HB2 ASP 109 lone 5 84 - 6 - 7740/4.4=3, 3.0/11304=2 HG3 MET 67 - HB2 ASP 109 lone 2 100 - 2 - HG2 GLN 122 - HB2 ASP 109 lone 2 87 - 2 - HG2 GLN 25 - HB2 ASP 109 lone 1 90 - 2 - HG3 GLN 62 - HB2 ASP 109 lone 1 65 - 2 - HG2 GLN 62 - HB2 ASP 109 lone 1 61 - 2 - HG2 GLU 98 - HB2 ASP 109 lone 1 70 - 1 - Peak 10357 from cnoeabs.peaks (2.32, 2.82, 43.69 ppm; 5.53 A): 4 out of 9 assignments used, quality = 0.92: HG2 GLU 112 + HB2 ASP 109 OK 68 84 - 82 - 4.9/10403=28...(10) HG3 GLU 112 + HB2 ASP 109 OK 66 81 - 81 - 4.9/10403=28...(10) HG3 GLU 89 + HB2 ASP 109 OK 15 84 - 18 - 10362/1.8=6, 10351/4.0=4...(5) HG2 GLN 83 + HB2 ASP 109 OK 13 87 - 15 - 10351/4.0=7, ~9991=4 HG3 GLU 103 - HB2 ASP 109 lone 7 100 - 6 - 10362/1.8=2, 10351/4.0=1 HG2 GLU 92 - HB2 ASP 109 lone 6 96 - 6 - 10362/1.8=2, 10351/4.0=2 HG3 GLU 13 - HB2 ASP 109 lone 4 81 - 4 - 10362/1.8=2 HG3 GLU 48 - HB2 ASP 109 lone 3 99 - 3 - 10362/1.8=1 HB3 PHE 120 - HB2 ASP 109 lone 2 61 - 2 - Peak 10358 from cnoeabs.peaks (2.08, 2.82, 43.69 ppm; 4.05 A): 4 out of 13 assignments used, quality = 0.93: HB2 GLU 112 + HB2 ASP 109 OK 67 100 - 67 - 4.0/10403=19...(11) HB3 GLU 112 + HB2 ASP 109 OK 66 100 - 67 - 4.0/10403=19...(11) HB2 GLU 111 + HB2 ASP 109 OK 25 77 - 33 - 4.6/10403=16...(4) HB3 GLU 66 + HB2 ASP 109 OK 15 94 - 16 - 3.0/10356=8, 10363/1.8=3...(4) HB2 GLU 87 - HB2 ASP 109 lone 5 92 - 6 - ~10362=2, 10363/1.8=1 HB2 GLU 103 - HB2 ASP 109 lone 4 100 - 4 - ~10362=1 HB3 MET 121 - HB2 ASP 109 lone 3 97 - 3 - ~10362=1 HB3 GLU 69 - HB2 ASP 109 lone 3 99 - 3 - HG2 GLU 119 - HB2 ASP 109 lone 1 96 - 1 - HB3 PHE 79 - HB2 ASP 109 lone 1 94 - 1 - HB2 LYS 94 - HB2 ASP 109 lone 1 81 - 1 - HB3 GLU 91 - HB2 ASP 109 lone 1 77 - 1 - HG2 GLU 52 - HB2 ASP 109 lone 1 73 - 1 - Peak 10360 from cnoeabs.peaks (0.86, 2.82, 43.69 ppm; 5.19 A): 5 out of 10 assignments used, quality = 0.76: QG2 VAL 107 + HB2 ASP 109 OK 45 99 - 46 - 10297/4.0=21...(7) QD1 LEU 14 + HB2 ASP 109 OK 29 99 - 30 - 10368/4.4=11...(6) QG2 VAL 117 + HB2 ASP 109 OK 19 100 - 20 - 10364/1.8=6, 7904/4.0=4...(5) QG1 VAL 32 + HB2 ASP 109 OK 13 99 - 13 - 10364/1.8=4, 10368/4.4=3...(4) QG2 THR 9 + HB2 ASP 109 OK 12 100 - 12 - 10364/1.8=3, 10368/4.4=2...(5) QG2 VAL 22 - HB2 ASP 109 lone 9 94 - 9 - 10364/1.8=2, 10849/4.0=1...(4) QD2 LEU 90 - HB2 ASP 109 lone 6 61 - 10 - 10354/4.0=4, 4.4/6571=2 HG13 ILE 57 - HB2 ASP 109 lone 5 99 - 5 - 10364/1.8=1, 10354/4.0=1 QG2 ILE 15 - HB2 ASP 109 lone 5 73 - 6 - 10368/4.4=2, 10364/1.8=2 HG13 ILE 5 - HB2 ASP 109 lone 3 70 - 4 - Peak 10362 from cnoeabs.peaks (2.31, 2.73, 43.69 ppm; 5.51 A): 0 out of 9 assignments used, low quality = 0.13: HG3 GLU 89 - HB3 ASP 109 OK 13 99 - 13 - 5.2/10343=4, 7756/4.0=3...(4) HG2 GLU 87 - HB3 ASP 109 lone 5 87 - 6 - 3.0/10363=2 HG3 GLU 87 - HB3 ASP 109 lone 5 87 - 6 - 3.0/10363=2 HG2 GLU 92 - HB3 ASP 109 lone 5 94 - 5 - 7756/4.0=1 HG3 GLU 13 - HB3 ASP 109 lone 4 100 - 4 - 67/9158=1 HG3 GLU 103 - HB3 ASP 109 lone 4 73 - 5 - 3.0/10363=1 HB2 MET 121 - HB3 ASP 109 lone 2 70 - 4 - HG3 GLU 48 - HB3 ASP 109 lone 2 87 - 3 - HG2 GLU 47 - HB3 ASP 109 lone 1 87 - 1 - Peak 10363 from cnoeabs.peaks (2.08, 2.73, 43.69 ppm; 3.87 A): 4 out of 13 assignments used, quality = 0.90: HB2 GLU 112 + HB3 ASP 109 OK 62 100 - 62 - 4.0/10402=17...(13) HB3 GLU 112 + HB3 ASP 109 OK 62 100 - 62 - 4.0/10402=17...(13) HB2 GLU 111 + HB3 ASP 109 OK 22 77 - 29 - 4.6/10402=15...(4) HB3 GLU 66 + HB3 ASP 109 OK 12 94 - 12 - ~10356=5, 10358/1.8=3...(4) HB2 GLU 87 - HB3 ASP 109 lone 6 92 - 7 - 3.0/10362=2, 3.0/10362=2 HB2 GLU 103 - HB3 ASP 109 lone 4 100 - 4 - 3.0/10362=1 HB3 MET 121 - HB3 ASP 109 lone 2 97 - 3 - 1.8/10362=1 HB3 GLU 69 - HB3 ASP 109 lone 2 99 - 2 - HB2 LYS 94 - HB3 ASP 109 lone 2 81 - 2 - 3.9/10344=1 HB3 PHE 79 - HB3 ASP 109 lone 1 94 - 1 - HG2 GLU 119 - HB3 ASP 109 lone 1 96 - 1 - HB3 GLU 91 - HB3 ASP 109 lone 1 77 - 1 - HG2 GLU 52 - HB3 ASP 109 lone 1 73 - 1 - Peak 10364 from cnoeabs.peaks (0.86, 2.73, 43.69 ppm; 4.95 A): 5 out of 11 assignments used, quality = 0.79: QG2 VAL 107 + HB3 ASP 109 OK 49 94 - 52 - 10297/4.0=18...(8) QD1 LEU 14 + HB3 ASP 109 OK 29 100 - 30 - 10368/4.4=10...(7) QG2 VAL 117 + HB3 ASP 109 OK 23 98 - 24 - 4.0/11123=5, 10360/1.8=5...(7) QG1 VAL 32 + HB3 ASP 109 OK 14 96 - 14 - 10360/1.8=3, 10368/4.4=3...(4) QG2 THR 9 + HB3 ASP 109 OK 12 99 - 12 - 10360/1.8=3, 10368/4.4=2...(5) QG2 VAL 22 - HB3 ASP 109 lone 8 99 - 8 - 10360/1.8=2, 10849/4.0=1 QG2 ILE 15 - HB3 ASP 109 lone 6 87 - 7 - 10368/4.4=2, 4.1/10343=2...(4) HG13 ILE 57 - HB3 ASP 109 lone 5 100 - 5 - 10360/1.8=1 HG13 ILE 5 - HB3 ASP 109 lone 3 84 - 4 - QG2 ILE 57 - HB3 ASP 109 lone 2 61 - 3 - QG2 ILE 5 - HB3 ASP 109 lone 2 65 - 3 - Peak 10371 from cnoeabs.peaks (0.85, 4.09, 57.39 ppm; 3.40 A): 5 out of 11 assignments used, quality = 0.86: QD1 LEU 14 + HA ASP 110 OK 72 99 - 73 - 9168=35, 10910/3.0=19...(11) QG2 VAL 107 + HA ASP 110 OK 25 84 - 30 - 2.1/10372=6, 10368/3.0=4...(12) QG2 VAL 117 + HA ASP 110 OK 15 92 - 16 - 10522/8234=4, 4.0/8232=3...(7) QG1 VAL 32 + HA ASP 110 OK 13 87 - 14 - 2.1/10372=3, 11419/3.0=2...(8) QG2 ILE 15 + HA ASP 110 OK 11 96 - 12 - 9180/3.0=3, 3.0/10372=2...(4) QG2 THR 9 - HA ASP 110 lone 7 96 - 7 - 3.2/10391=2, 10368/3.0=1 HG13 ILE 57 - HA ASP 110 lone 4 99 - 4 - QG2 VAL 22 - HA ASP 110 lone 3 100 - 3 - QG2 ILE 5 - HA ASP 110 lone 2 81 - 3 - QG2 ILE 57 - HA ASP 110 lone 2 77 - 3 - HG13 ILE 5 - HA ASP 110 lone 2 94 - 2 - Peak 10372 from cnoeabs.peaks (0.77, 4.09, 57.39 ppm; 3.61 A): 4 out of 10 assignments used, quality = 0.86: QD2 LEU 14 + HA ASP 110 OK 74 99 - 74 - 2.1/9168=28, 9169=25...(15) QG1 VAL 107 + HA ASP 110 OK 29 99 - 29 - 2.1/10371=6...(10) QG2 VAL 32 + HA ASP 110 OK 14 99 - 14 - 2.1/10371=3, 10369/3.0=2...(8) QD1 ILE 15 + HA ASP 110 OK 11 100 - 11 - 3.0/10371=2, 10369/3.0=2...(5) QD1 ILE 7 - HA ASP 110 lone 4 100 - 4 - QD1 LEU 80 - HA ASP 110 lone 4 96 - 4 - QD2 LEU 80 - HA ASP 110 lone 4 94 - 4 - QD2 LEU 64 - HA ASP 110 lone 3 73 - 4 - 11513/8234=1, 4.7/2081=1 QD1 LEU 82 - HA ASP 110 lone 2 90 - 2 - QD1 LEU 45 - HA ASP 110 lone 1 84 - 1 - Peak 10374 from cnoeabs.peaks (1.68, 2.42, 40.30 ppm; 6.20 A): 7 out of 19 assignments used, quality = 0.86: HD2 LYS 43 + HB2 ASP 110 OK 29 100 - 29 - 2.9/10375=6, 10382/1.8=6...(6) HD3 LYS 43 + HB2 ASP 110 OK 29 99 - 29 - 2.9/10375=6, ~10382=6...(6) HD2 LYS 17 + HB2 ASP 110 OK 27 100 - 27 - 11478/10910=6...(8) HD3 LYS 20 + HB2 ASP 110 OK 25 97 - 26 - 3.0/10375=6, ~10383=5...(6) HD2 LYS 20 + HB2 ASP 110 OK 25 96 - 26 - 3.0/10375=6, ~10383=5...(6) HD2 LYS 16 + HB2 ASP 110 OK 17 98 - 17 - 2.9/10376=5, ~10384=5...(5) HD3 LYS 16 + HB2 ASP 110 OK 16 94 - 17 - 2.9/10376=5, ~10384=5...(5) HD3 LYS 73 - HB2 ASP 110 lone 4 99 - 4 - HD2 LYS 96 - HB2 ASP 110 lone 4 100 - 4 - HD3 LYS 96 - HB2 ASP 110 lone 4 100 - 4 - HD2 LYS 73 - HB2 ASP 110 lone 4 99 - 4 - HD3 LYS 40 - HB2 ASP 110 lone 4 100 - 4 - HD2 LYS 40 - HB2 ASP 110 lone 4 100 - 4 - HG3 ARG 95 - HB2 ASP 110 lone 3 99 - 3 - HB ILE 56 - HB2 ASP 110 lone 2 94 - 3 - HB ILE 54 - HB2 ASP 110 lone 2 100 - 2 - HG12 ILE 71 - HB2 ASP 110 lone 2 81 - 3 - HG3 LYS 123 - HB2 ASP 110 lone 2 61 - 3 - HG3 LYS 39 - HB2 ASP 110 lone 2 61 - 3 - Peak 10375 from cnoeabs.peaks (1.51, 2.42, 40.30 ppm; 5.81 A): 4 out of 11 assignments used, quality = 0.88: HB3 LEU 14 + HB2 ASP 110 OK 72 77 - 93 - 3.1/10910=42, ~10911=29...(11) HG2 LYS 43 + HB2 ASP 110 OK 28 100 - 28 - 10383/1.8=7, ~10382=5...(6) HG2 LYS 20 + HB2 ASP 110 OK 24 97 - 25 - 10383/1.8=6, 3.0/10374=4...(6) HD3 LYS 17 + HB2 ASP 110 OK 21 99 - 21 - 1.8/10374=5, ~10382=4...(7) HG LEU 38 - HB2 ASP 110 lone 9 96 - 9 - 5.1/7867=2, 10932=2, 10383/1.8=2 HB3 ARG 30 - HB2 ASP 110 lone 5 100 - 5 - 10383/1.8=1 HB2 LEU 6 - HB2 ASP 110 lone 4 99 - 4 - QB ALA 124 - HB2 ASP 110 lone 4 94 - 4 - HG LEU 6 - HB2 ASP 110 lone 3 97 - 3 - HG2 ARG 30 - HB2 ASP 110 lone 3 73 - 4 - HB2 LYS 61 - HB2 ASP 110 lone 2 99 - 2 - Peak 10376 from cnoeabs.peaks (1.40, 2.42, 40.30 ppm; 5.06 A): 4 out of 5 assignments used, quality = 0.86: QB ALA 113 + HB2 ASP 110 OK 78 98 - 80 - 8234/3.0=42...(11) HB3 LEU 114 + HB2 ASP 110 OK 17 97 - 18 - 10384/1.8=5, 8233/3.0=5...(5) HG3 LYS 16 + HB2 ASP 110 OK 14 96 - 14 - 10384/1.8=5, 2.9/10374=2...(6) HB3 GLN 83 + HB2 ASP 110 OK 13 73 - 18 - 8233/3.0=6, 10367/4.0=4...(4) HG3 LYS 106 - HB2 ASP 110 lone 8 100 - 8 - 10384/1.8=3, 10367/4.0=1 Peak 10377 from cnoeabs.peaks (0.85, 2.42, 40.30 ppm; 4.02 A): 4 out of 11 assignments used, quality = 0.92: QD1 LEU 14 + HB2 ASP 110 OK 85 99 - 86 - 10910=44, 9168/3.0=27...(12) QG2 VAL 107 + HB2 ASP 110 OK 25 84 - 30 - 11419/1.8=6, 10371/3.0=6...(8) QG1 VAL 32 + HB2 ASP 110 OK 15 87 - 17 - 11419/1.8=4, 10371/3.0=3...(7) QG2 ILE 15 + HB2 ASP 110 OK 14 96 - 15 - 9180/1.8=5, 10371/3.0=2...(6) QG2 VAL 117 - HB2 ASP 110 lone 9 92 - 10 - 10371/3.0=3, 10368/4.0=2...(4) QG2 THR 9 - HB2 ASP 110 lone 7 96 - 7 - 10371/3.0=2, 10368/4.0=2...(4) HG13 ILE 57 - HB2 ASP 110 lone 6 99 - 6 - ~9564=2, 11419/1.8=2 QG2 VAL 22 - HB2 ASP 110 lone 4 100 - 4 - 10860/1.8=1 QG2 ILE 57 - HB2 ASP 110 lone 4 77 - 4 - 9564/1.8=2 HG13 ILE 5 - HB2 ASP 110 lone 3 94 - 4 - QG2 ILE 5 - HB2 ASP 110 lone 3 81 - 4 - 9180/1.8=1 Peak 10378 from cnoeabs.peaks (0.78, 2.42, 40.30 ppm; 4.92 A): 4 out of 10 assignments used, quality = 0.89: QD2 LEU 14 + HB2 ASP 110 OK 76 84 - 91 - 2.1/10910=42, ~10911=27...(12) QG1 VAL 107 + HB2 ASP 110 OK 30 84 - 36 - 10372/3.0=8, 2.1/10377=6...(7) QG2 VAL 32 + HB2 ASP 110 OK 19 84 - 22 - 11420/1.8=4, 2.1/10377=4...(7) QD1 ILE 15 + HB2 ASP 110 OK 18 87 - 21 - ~9180=4, 11420/1.8=4...(8) QD1 LEU 80 - HB2 ASP 110 lone 7 100 - 7 - 11420/1.8=2, ~11420=1 QD2 LEU 80 - HB2 ASP 110 lone 7 100 - 7 - 11420/1.8=2, ~11420=1 QD1 ILE 7 - HB2 ASP 110 lone 6 94 - 7 - 11420/1.8=1, 10372/3.0=1 QD1 LEU 82 - HB2 ASP 110 lone 3 100 - 3 - QD2 LEU 64 - HB2 ASP 110 lone 3 97 - 3 - QD1 LEU 81 - HB2 ASP 110 lone 2 84 - 3 - 11513/10376=1 Peak 10382 from cnoeabs.peaks (1.67, 2.68, 40.30 ppm; 4.67 A): 5 out of 25 assignments used, quality = 0.50: HD2 LYS 43 + HB3 ASP 110 OK 16 96 - 17 - 2.9/10383=4, ~10375=3...(5) HD3 LYS 43 + HB3 ASP 110 OK 14 84 - 17 - 2.9/10383=4, ~10375=3...(5) HD2 LYS 17 + HB3 ASP 110 OK 12 92 - 13 - 1.8/10383=3...(5) HD3 LYS 20 + HB3 ASP 110 OK 11 73 - 16 - 3.0/10383=4, ~10375=2...(6) HD2 LYS 20 + HB3 ASP 110 OK 11 70 - 16 - 3.0/10383=4, ~10375=2...(6) HD2 LYS 16 - HB3 ASP 110 poor 8 77 - 10 - 2.9/10384=4, ~10376=2...(4) HD3 LYS 16 - HB3 ASP 110 poor 7 65 - 10 - 2.9/10384=4, ~10376=2...(4) HG LEU 114 - HB3 ASP 110 poor 7 61 - 11 - 3.0/10384=4, ~10376=3...(4) HD3 LYS 115 - HB3 ASP 110 lone 3 90 - 3 - HB2 ARG 30 - HB3 ASP 110 lone 3 73 - 3 - HD2 LYS 115 - HB3 ASP 110 lone 2 81 - 3 - HD2 LYS 65 - HB3 ASP 110 lone 2 73 - 3 - HD3 LYS 65 - HB3 ASP 110 lone 2 61 - 3 - HD2 LYS 96 - HB3 ASP 110 lone 2 92 - 2 - HD3 LYS 73 - HB3 ASP 110 lone 2 84 - 2 - HD3 LYS 96 - HB3 ASP 110 lone 2 87 - 2 - HD2 LYS 73 - HB3 ASP 110 lone 2 81 - 2 - HD3 LYS 40 - HB3 ASP 110 lone 2 92 - 2 - HD2 LYS 40 - HB3 ASP 110 lone 2 90 - 2 - HG3 ARG 95 - HB3 ASP 110 lone 1 99 - 1 - HD2 LYS 49 - HB3 ASP 110 lone 1 70 - 2 - HD3 LYS 49 - HB3 ASP 110 lone 1 70 - 2 - HB ILE 54 - HB3 ASP 110 lone 1 90 - 1 - HB2 GLU 52 - HB3 ASP 110 lone 1 81 - 1 - HB ILE 56 - HB3 ASP 110 lone 1 65 - 1 - Peak 10383 from cnoeabs.peaks (1.51, 2.68, 40.30 ppm; 5.33 A): 4 out of 11 assignments used, quality = 0.90: HB3 LEU 14 + HB3 ASP 110 OK 79 90 - 89 - 3.1/10911=31, ~10910=29...(11) HG2 LYS 43 + HB3 ASP 110 OK 25 99 - 25 - 2.9/10382=6, 10375/1.8=6...(6) HG2 LYS 20 + HB3 ASP 110 OK 22 100 - 22 - 10375/1.8=5, 3.0/10382=4...(6) HD3 LYS 17 + HB3 ASP 110 OK 15 96 - 16 - 1.8/10382=5, 10375/1.8=4...(5) HG LEU 38 - HB3 ASP 110 lone 6 87 - 7 - 5.1/7868=2, 10375/1.8=2 HB3 ARG 30 - HB3 ASP 110 lone 4 99 - 4 - 1.8/10382=1, 10375/1.8=1 HB2 LEU 6 - HB3 ASP 110 lone 3 100 - 3 - QB ALA 124 - HB3 ASP 110 lone 3 99 - 3 - HG2 ARG 30 - HB3 ASP 110 lone 3 87 - 3 - HG LEU 6 - HB3 ASP 110 lone 2 90 - 3 - HB2 LYS 61 - HB3 ASP 110 lone 2 96 - 2 - Peak 10384 from cnoeabs.peaks (1.40, 2.68, 40.30 ppm; 5.13 A): 3 out of 5 assignments used, quality = 0.79: QB ALA 113 + HB3 ASP 110 OK 71 92 - 77 - 8234/3.0=38...(9) HB3 LEU 114 + HB3 ASP 110 OK 15 100 - 15 - 10376/1.8=5, 8233/3.0=4...(4) HG3 LYS 16 + HB3 ASP 110 OK 14 99 - 14 - 10376/1.8=4, 2.9/10382=3...(6) HG3 LYS 106 - HB3 ASP 110 lone 8 100 - 8 - 10376/1.8=3, 10367/4.0=1...(4) HB3 LEU 68 - HB3 ASP 110 lone 1 61 - 1 - Peak 10386 from cnoeabs.peaks (3.98, 2.42, 40.30 ppm; 5.70 A): 3 out of 6 assignments used, quality = 0.88: HA GLU 111 + HB2 ASP 110 OK 65 90 - 73 - 2.9/701=37, ~702=32...(6) HA LEU 14 + HB2 ASP 110 OK 60 96 - 63 - 4.0/10910=37...(5) HA LYS 17 + HB2 ASP 110 OK 12 77 - 15 - 2665/10910=5...(4) HA GLU 21 - HB2 ASP 110 lone 3 81 - 3 - 10428/10376=1 HB3 SER 99 - HB2 ASP 110 lone 1 61 - 2 - HB2 SER 99 - HB2 ASP 110 lone 1 61 - 2 - Peak 10391 from cnoeabs.peaks (4.74, 4.09, 57.39 ppm; 5.20 A): 2 out of 3 assignments used, quality = 0.86: HA ASP 109 + HA ASP 110 OK 84 100 - 84 - 696/3.0=47, ~697=25...(6) HA THR 9 + HA ASP 110 OK 12 100 - 11 - 696/3.0=2, 3.2/10371=2...(5) HA ARG 30 - HA ASP 110 lone 3 100 - 3 - Peak 10392 from cnoeabs.peaks (7.20, 4.09, 57.39 ppm; 5.45 A): 0 out of 2 assignments used, low quality = 0.38: HE22 GLN 83 - HA ASP 110 OK 21 100 - 21 - 11005/9169=7, 4.4/8233=6...(7) HE21 GLN 83 - HA ASP 110 OK 21 100 - 21 - 11005/9169=7, 4.4/8233=6...(7) Peak 10406 from cnoeabs.peaks (8.23, 1.41, 18.60 ppm; 4.62 A): 3 out of 4 assignments used, quality = 0.93: H GLU 112 + QB ALA 113 OK 81 100 - 81 - 10398=34, 1955/2.9=29...(13) H GLU 111 + QB ALA 113 OK 47 65 - 72 - 3.6/8234=35...(7) H ILE 15 + QB ALA 113 OK 27 97 - 28 - 3.6/10428=7, 2190/3.7=6...(8) H GLU 89 - QB ALA 113 lone 6 92 - 6 - Peak 10407 from cnoeabs.peaks (8.69, 1.41, 18.60 ppm; 6.20 A): 1 out of 4 assignments used, quality = 0.91: H ASP 110 + QB ALA 113 OK 91 97 - 94 - 3.0/8234=47, 10367=28...(16) H ARG 105 - QB ALA 113 poor 7 73 - 10 - 4.6/1705=3, 10411/2.9=2 H ASP 86 - QB ALA 113 lone 7 100 - 7 - 10411/2.9=2, 2183/10398=1 H GLU 98 - QB ALA 113 lone 2 61 - 4 - 4.1/10420=1 Peak 10408 from cnoeabs.peaks (7.61, 1.41, 18.60 ppm; 5.02 A): 3 out of 9 assignments used, quality = 0.83: H LYS 115 + QB ALA 113 OK 73 94 - 77 - 4.6/7880=32...(11) H LEU 64 + QB ALA 113 OK 21 65 - 33 - 1957/3.7=6, 3.6/11010=5...(11) H LYS 16 + QB ALA 113 OK 20 99 - 20 - 4.6/10406=5, 1957/3.7=3...(8) H GLN 100 - QB ALA 113 poor 9 77 - 11 - 1957/3.7=4, 2198/2.9=2 H LEU 74 - QB ALA 113 lone 7 100 - 7 - 1957/3.7=1 H ASP 34 - QB ALA 113 lone 7 96 - 7 - HE ARG 105 - QB ALA 113 lone 4 94 - 4 - H GLU 69 - QB ALA 113 lone 3 61 - 6 - 1957/3.7=2, 2188/2.9=1 HE21 GLN 85 - QB ALA 113 lone 2 73 - 2 - Peak 10409 from cnoeabs.peaks (7.21, 1.41, 18.60 ppm; 5.89 A): 0 out of 3 assignments used, low quality = 0.23: HE21 GLN 83 - QB ALA 113 OK 13 81 - 16 - 3.5/10425=6...(4) HE22 GLN 83 - QB ALA 113 OK 12 77 - 16 - 3.5/10425=6...(4) QD PHE 93 - QB ALA 113 lone 5 98 - 5 - Peak 10412 from cnoeabs.peaks (2.10, 3.80, 55.38 ppm; 5.17 A): 4 out of 16 assignments used, quality = 0.94: HB2 GLU 112 + HA ALA 113 OK 60 84 - 71 - 7875/3.0=12, ~7875=11...(17) HB3 GLU 112 + HA ALA 113 OK 57 81 - 71 - 7875/3.0=12, ~7875=11...(17) HB VAL 107 + HA ALA 113 OK 52 61 - 85 - 2.1/10314=36...(11) HB2 GLU 111 + HA ALA 113 OK 32 100 - 32 - ~10428=12, ~8240=9...(4) HG3 GLU 21 - HA ALA 113 OK 11 97 - 12 - ~11224=5, 10423/2.1=2, ~10423=2 HG2 GLU 21 - HA ALA 113 OK 11 94 - 12 - ~11224=5, 10423/2.1=2, ~10423=2 HB3 GLU 119 - HA ALA 113 OK 11 70 - 16 - 4.0/2217=5...(4) HB2 GLU 21 - HA ALA 113 poor 8 61 - 14 - ~11224=6, ~10428=3...(4) HB3 GLU 66 - HA ALA 113 lone 7 99 - 7 - HB3 GLU 47 - HA ALA 113 lone 4 84 - 5 - 7529/3.6=2 HB3 GLU 92 - HA ALA 113 lone 4 92 - 4 - HB2 GLU 87 - HA ALA 113 lone 3 100 - 3 - HB2 LEU 38 - HA ALA 113 lone 3 70 - 5 - HB2 GLU 103 - HA ALA 113 lone 3 92 - 3 - HB3 GLU 69 - HA ALA 113 lone 3 96 - 3 - HG2 GLU 52 - HA ALA 113 lone 2 100 - 2 - Peak 10413 from cnoeabs.peaks (0.96, 3.80, 55.38 ppm; 5.97 A): 1 out of 5 assignments used, quality = 0.95: HG13 ILE 116 + HA ALA 113 OK 95 98 - 97 - 3.2/10417=36...(17) HG13 ILE 56 - HA ALA 113 lone 8 98 - 8 - ~10420=2, 3.2/10416=1, 740/3.0=1 QD1 ILE 3 - HA ALA 113 lone 4 99 - 4 - QD1 LEU 38 - HA ALA 113 lone 4 100 - 4 - HD3 LYS 2 - HA ALA 113 lone 3 99 - 3 - Peak 10414 from cnoeabs.peaks (0.85, 3.80, 55.38 ppm; 3.79 A): 3 out of 11 assignments used, quality = 0.88: QG2 VAL 107 + HA ALA 113 OK 61 84 - 73 - 10307=27, 2.1/10314=27...(12) QG2 VAL 117 + HA ALA 113 OK 58 92 - 63 - 10522/2.1=17...(12) QD1 LEU 14 + HA ALA 113 OK 26 99 - 27 - 10418/2.1=8, 2.1/10415=6...(6) HG13 ILE 5 - HA ALA 113 lone 9 94 - 10 - ~10421=3, 10418/2.1=2 QG2 ILE 5 - HA ALA 113 lone 7 81 - 9 - ~10421=3, 2.1/8252=2...(4) QG2 ILE 15 - HA ALA 113 lone 6 96 - 7 - 10418/2.1=2, 3.0/10415=1 QG1 VAL 32 - HA ALA 113 lone 6 87 - 7 - 10418/2.1=1, 2.1/10415=1 QG2 THR 9 - HA ALA 113 lone 4 96 - 4 - 10418/2.1=1 HG13 ILE 57 - HA ALA 113 lone 2 99 - 2 - QG2 VAL 22 - HA ALA 113 lone 2 100 - 2 - QG2 ILE 57 - HA ALA 113 lone 2 77 - 2 - Peak 10415 from cnoeabs.peaks (0.75, 3.80, 55.38 ppm; 3.72 A): 2 out of 11 assignments used, quality = 0.74: QG1 VAL 107 + HA ALA 113 OK 68 94 - 73 - 10314=33, 2.1/10307=26...(11) QD2 LEU 14 + HA ALA 113 OK 20 94 - 21 - 11518/2.1=7, 2.1/10414=5...(5) QD1 ILE 15 - HA ALA 113 lone 4 92 - 5 - QG2 VAL 32 - HA ALA 113 lone 4 94 - 4 - 2.1/10414=1, ~11010=1 QD1 LEU 63 - HA ALA 113 lone 4 84 - 4 - 2.1/8252=1 QD2 LEU 55 - HA ALA 113 lone 3 65 - 4 - 2.1/10416=1 QD1 ILE 7 - HA ALA 113 lone 3 84 - 3 - QG2 ILE 7 - HA ALA 113 lone 3 92 - 3 - QD1 LEU 45 - HA ALA 113 lone 1 100 - 1 - QG2 ILE 54 - HA ALA 113 lone 1 96 - 1 - QD2 LEU 6 - HA ALA 113 lone 1 61 - 1 - Peak 10416 from cnoeabs.peaks (0.68, 3.80, 55.38 ppm; 3.94 A): 2 out of 6 assignments used, quality = 0.87: QD1 ILE 116 + HA ALA 113 OK 79 100 - 79 - 10475=21, 3.0/10417=14...(18) QD2 LEU 114 + HA ALA 113 OK 36 84 - 43 - 6692/3.6=16, 10420/2.1=7...(10) QD1 LEU 55 - HA ALA 113 lone 6 100 - 6 - QG2 ILE 97 - HA ALA 113 lone 5 100 - 5 - QG2 ILE 56 - HA ALA 113 lone 3 90 - 4 - QD2 LEU 4 - HA ALA 113 lone 2 99 - 2 - Peak 10417 from cnoeabs.peaks (0.03, 3.80, 55.38 ppm; 5.90 A): 1 out of 1 assignment used, quality = 0.67: QG2 ILE 116 + HA ALA 113 OK 67 70 - 97 - 4.0/8251=32...(23) Peak 10418 from cnoeabs.peaks (0.85, 1.41, 18.60 ppm; 2.87 A): 3 out of 11 assignments used, quality = 0.79: QG2 VAL 107 + QB ALA 113 OK 46 84 - 54 - 10307/2.1=12...(13) QG2 VAL 117 + QB ALA 113 OK 45 92 - 50 - 2.1/10419=10, 10522=9...(14) QD1 LEU 14 + QB ALA 113 OK 30 99 - 30 - 2.1/11513=6, 9168/8234=6...(10) QG2 ILE 15 - QB ALA 113 lone 8 96 - 8 - 4.1/10406=2, 3.0/11513=1 HG13 ILE 5 - QB ALA 113 lone 6 94 - 6 - 2.1/10421=3 QG2 THR 9 - QB ALA 113 lone 5 96 - 5 - QG1 VAL 32 - QB ALA 113 lone 5 87 - 6 - 2.1/11513=1 QG2 ILE 5 - QB ALA 113 lone 5 81 - 6 - 3.0/10421=2 QG2 VAL 22 - QB ALA 113 lone 3 100 - 3 - HG13 ILE 57 - QB ALA 113 lone 2 99 - 2 - QG2 ILE 57 - QB ALA 113 lone 1 77 - 2 - Peak 10419 from cnoeabs.peaks (0.72, 1.41, 18.60 ppm; 3.03 A): 4 out of 11 assignments used, quality = 0.71: QG1 VAL 117 + QB ALA 113 OK 43 100 - 44 - 2.1/10522=10, 6846/2.9=8...(12) HG13 ILE 18 + QB ALA 113 OK 23 90 - 25 - 2.1/10421=14...(6) QG2 ILE 18 + QB ALA 113 OK 22 100 - 23 - 2.9/10421=12...(5) QD2 LEU 81 + QB ALA 113 OK 15 87 - 18 - 9956/2.1=4, 2.1/11513=4...(5) QD2 LEU 63 - QB ALA 113 lone 4 94 - 4 - 4.8/10408=1 QG2 VAL 78 - QB ALA 113 lone 3 97 - 3 - 2.1/10421=2 QD2 LEU 55 - QB ALA 113 lone 2 65 - 3 - QD1 ILE 57 - QB ALA 113 lone 1 90 - 2 - QD1 LEU 6 - QB ALA 113 lone 1 100 - 1 - QD2 LEU 45 - QB ALA 113 lone 1 97 - 1 - QD2 LEU 6 - QB ALA 113 lone 0 70 - 1 - Peak 10420 from cnoeabs.peaks (0.67, 1.41, 18.60 ppm; 3.49 A): 2 out of 7 assignments used, quality = 0.75: QD2 LEU 114 + QB ALA 113 OK 51 99 - 52 - 4.5/7880=16...(15) QD1 ILE 116 + QB ALA 113 OK 48 77 - 63 - 10475/2.1=9, ~10417=8...(18) QD1 ILE 56 - QB ALA 113 lone 5 99 - 4 - QD1 LEU 55 - QB ALA 113 lone 3 61 - 5 - QG2 ILE 97 - QB ALA 113 lone 3 70 - 5 - QD2 LEU 4 - QB ALA 113 lone 2 84 - 2 - QD1 ILE 71 - QB ALA 113 lone 1 90 - 2 - Peak 10421 from cnoeabs.peaks (0.61, 1.41, 18.60 ppm; 4.13 A): 0 out of 3 assignments used, low quality = 0.43: QD1 ILE 18 - QB ALA 113 OK 43 97 - 45 - 2.1/11010=13...(9) QD1 ILE 5 - QB ALA 113 poor 10 65 - 15 - 10524/10522=2...(7) QG1 VAL 78 - QB ALA 113 lone 5 94 - 6 - 2.1/10419=1 Peak 10422 from cnoeabs.peaks (1.64, 1.41, 18.60 ppm; 4.75 A): 2 out of 20 assignments used, quality = 0.94: HB ILE 116 + QB ALA 113 OK 83 92 - 90 - ~10417=20, 8252/2.1=19...(22) HG LEU 114 + QB ALA 113 OK 65 90 - 73 - 5.2/7880=25...(13) HG LEU 64 - QB ALA 113 OK 29 100 - 29 - 6678/3.7=5, 3.0/11010=5...(10) HB3 LEU 64 - QB ALA 113 OK 28 90 - 31 - 1.8/11010=6, 4.2/11125=4...(11) HB ILE 5 - QB ALA 113 OK 19 98 - 19 - 3.2/10421=6, 8252/2.1=2...(6) HD2 LYS 115 - QB ALA 113 OK 15 73 - 20 - 6.0/10408=8, 1746/3.7=4...(4) HD3 LYS 115 - QB ALA 113 OK 12 61 - 20 - 6.0/10408=8, 1746/3.7=4...(4) HD3 LYS 65 - QB ALA 113 poor 9 90 - 10 - 6.1/11125=3, 1746/3.7=1 HD2 LYS 65 - QB ALA 113 lone 8 81 - 10 - 6.1/11125=3, 1746/3.7=1 HG LEU 90 - QB ALA 113 lone 7 100 - 7 - 3.0/11010=2 HB2 LEU 82 - QB ALA 113 poor 6 61 - 10 - 4.5/1551=2, 8252/2.1=2...(4) HG2 LYS 16 - QB ALA 113 lone 6 84 - 7 - 5.0/10408=3 HG LEU 63 - QB ALA 113 lone 6 57 - 10 - 8252/2.1=2, 2.1/10419=2 HB2 ARG 30 - QB ALA 113 lone 2 81 - 3 - HD2 LYS 77 - QB ALA 113 lone 2 73 - 2 - HD3 LYS 77 - QB ALA 113 lone 2 70 - 2 - HD2 LYS 49 - QB ALA 113 lone 1 84 - 2 - HD3 LYS 49 - QB ALA 113 lone 1 84 - 2 - HB2 GLU 52 - QB ALA 113 lone 1 73 - 2 - HG3 LYS 40 - QB ALA 113 lone 1 57 - 2 - Peak 10423 from cnoeabs.peaks (2.10, 1.41, 18.60 ppm; 4.08 A): 6 out of 16 assignments used, quality = 0.94: HB2 GLU 112 + QB ALA 113 OK 55 84 - 66 - 4.0/10398=16...(15) HB3 GLU 112 + QB ALA 113 OK 53 81 - 66 - 4.0/10398=16...(15) HB VAL 107 + QB ALA 113 OK 45 61 - 73 - 2.1/11513=19, ~10314=18...(11) HB2 GLU 111 + QB ALA 113 OK 36 100 - 36 - 4.6/10398=14...(7) HG3 GLU 21 + QB ALA 113 OK 11 97 - 11 - 3.0/11224=4, 4.0/10428=2 HG2 GLU 21 + QB ALA 113 OK 10 94 - 11 - 3.0/11224=4, 4.0/10428=2 HB2 GLU 21 - QB ALA 113 poor 7 61 - 12 - 1.8/11224=4, 3.0/10428=3 HB3 GLU 66 - QB ALA 113 lone 4 99 - 4 - HB3 GLU 47 - QB ALA 113 lone 4 84 - 4 - 7529/3.7=2, 4.6/7880=1 HB3 GLU 119 - QB ALA 113 lone 3 70 - 4 - HB3 GLU 92 - QB ALA 113 lone 2 92 - 3 - HB2 GLU 87 - QB ALA 113 lone 2 100 - 2 - HB3 GLU 69 - QB ALA 113 lone 2 96 - 3 - HB2 LEU 38 - QB ALA 113 lone 2 70 - 3 - HB2 GLU 103 - QB ALA 113 lone 2 92 - 2 - HG2 GLU 52 - QB ALA 113 lone 1 100 - 1 - Peak 10425 from cnoeabs.peaks (2.33, 1.41, 18.60 ppm; 4.94 A): 3 out of 9 assignments used, quality = 0.93: HG2 GLU 112 + QB ALA 113 OK 69 96 - 72 - 4.9/10398=19...(16) HG3 GLU 112 + QB ALA 113 OK 68 94 - 72 - 4.9/10398=19...(16) HG2 GLN 83 + QB ALA 113 OK 28 97 - 29 - 3.5/10409=10...(7) HB3 PHE 120 - QB ALA 113 lone 5 81 - 7 - 11352/10421=1 HG3 GLU 48 - QB ALA 113 lone 3 92 - 4 - 5.1/7880=1 HG2 GLU 92 - QB ALA 113 lone 3 84 - 4 - HG3 GLU 103 - QB ALA 113 lone 3 98 - 3 - HG3 GLU 89 - QB ALA 113 lone 3 65 - 4 - HG3 GLU 13 - QB ALA 113 lone 1 61 - 2 - Peak 10427 from cnoeabs.peaks (3.71, 1.41, 18.60 ppm; 5.08 A): 1 out of 3 assignments used, quality = 0.88: HA LEU 114 + QB ALA 113 OK 88 100 - 88 - 3.0/7880=44, 2206/2.9=20...(18) HA LYS 61 - QB ALA 113 lone 8 90 - 9 - 2206/2.9=1, 10515/10522=1 HA2 GLY 101 - QB ALA 113 lone 2 90 - 2 - Peak 10428 from cnoeabs.peaks (3.98, 1.41, 18.60 ppm; 4.58 A): 4 out of 6 assignments used, quality = 0.76: HA GLU 111 + QB ALA 113 OK 56 90 - 62 - 8237/3.7=24...(12) HA LEU 14 + QB ALA 113 OK 27 96 - 29 - 4.0/11513=7, 4.0/10418=7...(7) HA LYS 17 + QB ALA 113 OK 15 77 - 20 - 3.6/10777=7, 2191/3.7=3...(6) HA GLU 21 + QB ALA 113 OK 13 81 - 16 - 3.0/11224=5...(8) HB3 SER 99 - QB ALA 113 lone 3 61 - 5 - 4.5/10408=1, 2191/3.7=1 HB2 SER 99 - QB ALA 113 lone 3 61 - 5 - 4.5/10408=1, 2191/3.7=1 Peak 10434 from cnoeabs.peaks (8.79, 0.67, 23.24 ppm; 4.44 A): 2 out of 6 assignments used, quality = 0.85: H ILE 18 + QD2 LEU 114 OK 83 100 - 83 - 3.0/10439=39...(15) H MET 42 + QD2 LEU 114 OK 12 98 - 12 - 4.7/10446=4, 4.7/10446=4...(4) H VAL 29 - QD2 LEU 114 lone 6 94 - 7 - 1190/2.1=2, 3.8/10446=1 H ASN 59 - QD2 LEU 114 lone 3 94 - 3 - H ILE 5 - QD2 LEU 114 lone 3 57 - 5 - 3.9/10939=2 H ILE 54 - QD2 LEU 114 lone 1 61 - 2 - Peak 10435 from cnoeabs.peaks (8.11, 0.81, 24.73 ppm; 5.89 A): 4 out of 8 assignments used, quality = 0.95: H ALA 113 + QD1 LEU 114 OK 83 99 - 84 - 4.6/1747=29, 2206/3.9=19...(13) H VAL 117 + QD1 LEU 114 OK 54 97 - 56 - 2206/3.9=19, 715/4.5=17...(8) H ALA 113 + QD1 LEU 64 OK 22 63 - 34 - 4.6/1747=7, ~11010=4...(13) H VAL 117 + QD1 LEU 64 OK 12 60 - 21 - 742/4.7=5, ~10504=3...(9) H PHE 93 - QD1 LEU 64 poor 10 52 - 18 - 6.5/4679=13, ~10091=4 H SER 99 - QD1 LEU 114 poor 8 77 - 11 - 4.6/723=2, 4.0/10441=2...(5) H PHE 93 - QD1 LEU 114 lone 5 90 - 5 - H SER 99 - QD1 LEU 64 lone 2 43 - 4 - Peak 10436 from cnoeabs.peaks (8.02, 0.81, 24.73 ppm; 4.82 A): 0 out of 1 assignment used, low quality = 0.40: H LYS 65 - QD1 LEU 64 OK 40 40 - 100 - 4.7=100 Peak 10437 from cnoeabs.peaks (8.80, 0.81, 24.73 ppm; 5.87 A): 6 out of 10 assignments used, quality = 0.88: H ILE 18 + QD1 LEU 114 OK 58 65 - 89 - ~10439=39, ~11027=33...(9) H SER 58 + QD1 LEU 64 OK 31 60 - 52 - 4.0/10438=34...(5) H ASN 59 + QD1 LEU 64 OK 25 56 - 45 - 4.5/10438=32...(5) H LYS 106 + QD1 LEU 114 OK 23 99 - 23 - 10281/2.1=12, 1705/3.1=4...(5) H SER 58 + QD1 LEU 114 OK 15 97 - 15 - 4.0/10438=8, 4.0/9599=3 H ASN 59 + QD1 LEU 114 OK 13 94 - 14 - 4.5/10438=7, 4.5/9599=3 H LYS 106 - QD1 LEU 64 lone 4 63 - 6 - 9127/4.7=1, 10280/2.1=1 H ILE 54 - QD1 LEU 114 lone 3 100 - 3 - H ILE 18 - QD1 LEU 64 lone 2 35 - 6 - 4.6/11711=2 H ILE 54 - QD1 LEU 64 lone 2 65 - 2 - Peak 10438 from cnoeabs.peaks (3.41, 0.81, 24.73 ppm; 4.21 A): 0 out of 2 assignments used, low quality = 0.35: HB3 SER 58 - QD1 LEU 64 OK 35 58 - 60 - 9604/2.1=17, ~11268=14...(12) HB3 SER 58 - QD1 LEU 114 lone 8 96 - 8 - 1.8/9599=3, 4.0/10437=1 Peak 10439 from cnoeabs.peaks (3.38, 0.67, 23.24 ppm; 3.61 A): 1 out of 1 assignment used, quality = 0.77: HA ILE 18 + QD2 LEU 114 OK 77 99 - 78 - 11027=39, 11028/2.1=22...(12) Peak 10440 from cnoeabs.peaks (3.97, 0.67, 23.24 ppm; 3.79 A): 4 out of 4 assignments used, quality = 0.88: HA GLU 111 + QD2 LEU 114 OK 59 81 - 74 - 11422/2.1=20...(13) HA GLU 21 + QD2 LEU 114 OK 41 90 - 46 - 3.0/10446=16...(8) HA LYS 17 + QD2 LEU 114 OK 38 65 - 58 - 3.6/10434=16...(12) HA LEU 14 + QD2 LEU 114 OK 16 90 - 18 - 9163/3.1=3, 7981/10434=3...(9) Peak 10441 from cnoeabs.peaks (4.00, 0.81, 24.73 ppm; 3.60 A): 3 out of 16 assignments used, quality = 0.92: HA GLU 111 + QD1 LEU 114 OK 77 96 - 81 - 11422=30, 8238/3.1=21...(13) HA GLU 112 + QD1 LEU 114 OK 43 100 - 43 - 8244/4.9=9, 11463/2.1=8...(13) HA LYS 17 + QD1 LEU 114 OK 37 99 - 38 - ~10915=6, 4.8/11515=6...(13) HA LEU 14 - QD1 LEU 114 lone 9 90 - 10 - 9163/3.1=3, 2191/4.5=2...(4) HA GLU 111 - QD1 LEU 64 poor 8 58 - 14 - 11422=3, 11192/2.1=2...(5) HB2 SER 99 - QD1 LEU 114 lone 8 100 - 8 - HB3 SER 99 - QD1 LEU 114 lone 8 100 - 8 - HA GLU 112 - QD1 LEU 64 lone 6 65 - 10 - 11463/2.1=2, ~10400=1...(4) HA3 GLY 75 - QD1 LEU 114 lone 5 73 - 7 - 3.6/9833=5 HA3 GLY 75 - QD1 LEU 64 lone 3 40 - 8 - 3.6/9833=6 HA3 GLY 101 - QD1 LEU 64 lone 3 48 - 5 - 1.8/9694=1, ~8100=1, ~8098=1 HA LYS 17 - QD1 LEU 64 lone 2 63 - 3 - HA3 GLY 101 - QD1 LEU 114 lone 1 84 - 2 - HB2 SER 99 - QD1 LEU 64 lone 1 65 - 1 - HB3 SER 99 - QD1 LEU 64 lone 1 65 - 1 - HA LEU 14 - QD1 LEU 64 lone 0 52 - 1 - Peak 10445 from cnoeabs.peaks (0.87, 3.71, 57.67 ppm; 4.04 A): 3 out of 9 assignments used, quality = 0.92: QG2 VAL 117 + HA LEU 114 OK 86 100 - 86 - 10515=43, 2.1/8258=33...(12) QG2 VAL 107 + HA LEU 114 OK 31 100 - 31 - 10442/3.0=9, 11417/3.9=7...(6) QD1 LEU 14 + HA LEU 114 OK 18 94 - 19 - 11519/3.7=5, 10442/3.0=4...(6) QG2 THR 9 - HA LEU 114 lone 8 99 - 8 - 9116/3.0=2, 10442/3.0=1 QG1 VAL 32 - HA LEU 114 lone 4 100 - 4 - 10451/3.6=1, 10442/3.0=1 QG2 VAL 22 - HA LEU 114 lone 4 81 - 4 - QD2 LEU 90 - HA LEU 114 lone 3 81 - 3 - HG13 ILE 57 - HA LEU 114 lone 2 94 - 2 - QG2 VAL 104 - HA LEU 114 lone 1 73 - 2 - Peak 10446 from cnoeabs.peaks (1.96, 0.67, 23.24 ppm; 3.53 A): 0 out of 13 assignments used, low quality = 0.32: HB3 GLU 21 - QD2 LEU 114 OK 32 77 - 41 - 4.1/9205=9, 3.0/11416=7...(8) HB2 GLU 41 - QD2 LEU 114 lone 9 96 - 9 - 3.0/9402=4, 1.8/11236=2...(4) HB3 GLU 41 - QD2 LEU 114 lone 8 94 - 9 - 3.0/9402=4, 1.8/11236=2...(4) HB3 MET 42 - QD2 LEU 114 lone 3 96 - 3 - 3.9/10434=2, 4.2/9432=1 HB VAL 104 - QD2 LEU 114 lone 3 87 - 3 - HB VAL 29 - QD2 LEU 114 lone 2 99 - 2 - HB3 LYS 40 - QD2 LEU 114 lone 1 84 - 2 - HB3 LYS 39 - QD2 LEU 114 lone 1 92 - 1 - HB3 GLU 52 - QD2 LEU 114 lone 1 98 - 1 - HB3 LYS 96 - QD2 LEU 114 lone 1 84 - 1 - HB2 LEU 70 - QD2 LEU 114 lone 1 73 - 1 - HB3 ARG 95 - QD2 LEU 114 lone 1 87 - 1 - HB3 GLU 128 - QD2 LEU 114 lone 1 99 - 1 - Peak 10447 from cnoeabs.peaks (2.10, 0.67, 23.24 ppm; 3.42 A): 4 out of 18 assignments used, quality = 0.92: HB2 GLU 111 + QD2 LEU 114 OK 55 100 - 55 - 3.0/11423=14, ~11422=9...(12) HG3 GLU 21 + QD2 LEU 114 OK 47 100 - 47 - 3.0/10446=13, 11416=12...(11) HG2 GLU 21 + QD2 LEU 114 OK 47 99 - 47 - 3.0/10446=13, 11416=12...(11) HB2 GLU 21 + QD2 LEU 114 OK 37 81 - 45 - 1.8/10446=17, 4.1/9205=9...(8) HB2 GLU 112 - QD2 LEU 114 OK 21 65 - 32 - 10450/2.1=4, ~11463=3...(14) HB3 GLU 112 - QD2 LEU 114 OK 20 61 - 32 - 10450/2.1=4, ~10450=3...(14) HB VAL 107 - QD2 LEU 114 OK 11 81 - 14 - 2.1/11417=8, 11416=3, ~10898=2 HB3 GLU 47 - QD2 LEU 114 lone 3 96 - 3 - 4.6/6692=2, 7529/4.5=1 HB3 GLU 66 - QD2 LEU 114 lone 2 94 - 2 - HB3 GLU 119 - QD2 LEU 114 lone 2 87 - 3 - HB3 GLU 69 - QD2 LEU 114 lone 2 84 - 2 - HB2 GLU 119 - QD2 LEU 114 lone 2 77 - 2 - HB2 LEU 38 - QD2 LEU 114 lone 1 87 - 1 - HB2 GLU 87 - QD2 LEU 114 lone 1 96 - 1 - HB3 GLU 92 - QD2 LEU 114 lone 1 99 - 1 - HG2 GLU 52 - QD2 LEU 114 lone 1 100 - 1 - HB2 GLU 103 - QD2 LEU 114 lone 1 77 - 1 - HG3 GLN 83 - QD2 LEU 114 lone 1 77 - 1 - Peak 10448 from cnoeabs.peaks (2.88, 0.81, 24.73 ppm; 3.96 A): 0 out of 6 assignments used, low quality = 0.45: HB2 ASN 8 - QD1 LEU 64 OK 28 48 - 59 - 1.8/9104=22, ~11393=15...(10) HB2 ASN 8 - QD1 LEU 114 OK 23 84 - 28 - 1.8/9104=13, 3.5/9106=5...(5) HB3 ASN 59 - QD1 LEU 114 lone 1 96 - 2 - 4.0/10437=1 HB3 ASN 59 - QD1 LEU 64 lone 1 58 - 2 - 4.0/10437=2 HE3 LYS 2 - QD1 LEU 114 lone 1 100 - 1 - HE3 LYS 2 - QD1 LEU 64 lone 0 64 - 1 - Peak 10449 from cnoeabs.peaks (2.26, 0.81, 24.73 ppm; 3.71 A): 3 out of 14 assignments used, quality = 0.68: HG3 GLU 111 + QD1 LEU 114 OK 35 96 - 36 - 3.9/11422=16...(6) HB3 ASN 8 + QD1 LEU 64 OK 32 50 - 63 - 9104=21, 11393/2.1=17...(11) HB3 ASN 8 + QD1 LEU 114 OK 29 87 - 34 - 1.8/10448=14, 9104=12...(5) HG3 GLU 111 - QD1 LEU 64 lone 5 58 - 8 - 11393/2.1=2, 3.9/11422=2 HG2 GLU 69 - QD1 LEU 64 lone 3 50 - 5 - 11393/2.1=2 HG2 GLU 69 - QD1 LEU 114 lone 2 87 - 3 - HG2 GLU 89 - QD1 LEU 64 lone 2 65 - 2 - HB2 GLU 37 - QD1 LEU 114 lone 2 96 - 2 - HB2 GLU 37 - QD1 LEU 64 lone 2 58 - 3 - HG2 GLU 103 - QD1 LEU 64 lone 1 62 - 2 - HG3 GLU 92 - QD1 LEU 64 lone 1 63 - 2 - HG3 GLU 92 - QD1 LEU 114 lone 1 99 - 1 - HG2 GLU 103 - QD1 LEU 114 lone 1 99 - 1 - HG2 GLU 89 - QD1 LEU 114 lone 1 100 - 1 - Peak 10450 from cnoeabs.peaks (2.09, 0.81, 24.73 ppm; 3.48 A): 5 out of 30 assignments used, quality = 0.89: HB2 GLU 111 + QD1 LEU 114 OK 59 98 - 60 - 3.0/11422=18, ~11423=9...(13) HB2 GLU 112 + QD1 LEU 114 OK 32 94 - 34 - 3.0/10441=5, 4.6/10435=4...(17) HB3 GLU 112 + QD1 LEU 114 OK 31 92 - 34 - 3.0/10441=5, 4.6/10435=4...(17) HG3 GLU 21 + QD1 LEU 114 OK 25 90 - 28 - ~10446=7, 11416/2.1=7...(8) HG2 GLU 21 + QD1 LEU 114 OK 24 84 - 28 - ~10446=7, 11416/2.1=7...(8) HB2 GLU 111 - QD1 LEU 64 lone 5 61 - 8 - 3.0/11422=2, 1.8/11124=1 HB3 GLU 66 - QD1 LEU 64 lone 4 65 - 6 - 11541/4.7=2, 5009/4.7=2 HB2 GLU 112 - QD1 LEU 64 lone 4 56 - 6 - HB3 GLU 112 - QD1 LEU 64 lone 3 54 - 6 - HB3 GLU 66 - QD1 LEU 114 lone 3 100 - 3 - HB3 GLU 69 - QD1 LEU 64 lone 3 63 - 5 - ~11393=1 HB3 GLU 69 - QD1 LEU 114 lone 3 99 - 3 - HB3 PHE 79 - QD1 LEU 64 lone 2 35 - 6 - 4.4/9911=2, 2.4/9907=1 HG2 GLU 119 - QD1 LEU 114 lone 2 70 - 3 - HB3 PHE 79 - QD1 LEU 114 lone 1 65 - 2 - HB2 GLU 87 - QD1 LEU 114 lone 1 100 - 1 - HB2 GLU 103 - QD1 LEU 114 lone 1 98 - 1 - HB3 GLU 47 - QD1 LEU 114 lone 1 70 - 1 - HB2 GLU 103 - QD1 LEU 64 lone 1 61 - 2 - HB3 GLU 92 - QD1 LEU 114 lone 1 81 - 1 - HB2 GLU 87 - QD1 LEU 64 lone 1 65 - 1 - HG2 GLU 52 - QD1 LEU 114 lone 1 97 - 1 - HB3 GLU 92 - QD1 LEU 64 lone 1 45 - 1 - HB3 MET 121 - QD1 LEU 114 lone 1 73 - 1 - HG3 GLU 21 - QD1 LEU 64 lone 0 52 - 1 - HG2 GLU 21 - QD1 LEU 64 lone 0 48 - 1 - HB3 MET 121 - QD1 LEU 64 lone 0 40 - 1 - HG2 GLU 52 - QD1 LEU 64 lone 0 60 - 0 - HG2 GLU 119 - QD1 LEU 64 lone 0 38 - 0 - HB3 GLU 47 - QD1 LEU 64 lone 0 38 - 0 - Peak 10452 from cnoeabs.peaks (0.78, 3.80, 59.88 ppm; 4.58 A): 6 out of 10 assignments used, quality = 0.86: QD2 LEU 64 + HA LYS 115 OK 46 100 - 47 - 4.7/8261=10, 3.1/8262=8...(18) QD1 LEU 81 + HA LYS 115 OK 40 94 - 43 - 10478/3.6=14, 2.1/9956=8...(13) QD2 LEU 80 + HA LYS 115 OK 29 99 - 29 - 9922/10455=15...(7) QD1 LEU 80 + HA LYS 115 OK 24 99 - 24 - 9924/10456=10...(7) QD1 LEU 82 + HA LYS 115 OK 12 100 - 12 - 11397/10456=5...(3) QG1 VAL 107 + HA LYS 115 OK 11 70 - 16 - 2.1/10307=6, ~10451=5...(4) QD1 ILE 15 - HA LYS 115 lone 5 73 - 7 - ~7362=1, 7364/3.0=1 QD1 ILE 7 - HA LYS 115 lone 4 84 - 4 - QG2 VAL 32 - HA LYS 115 lone 3 70 - 4 - ~10451=1, ~9278=1 QD2 LEU 14 - HA LYS 115 lone 3 70 - 4 - ~10451=2 Peak 10455 from cnoeabs.peaks (0.51, 3.80, 59.88 ppm; 4.18 A): 0 out of 1 assignment used, low quality = 0.21: QD1 LEU 68 - HA LYS 115 OK 21 100 - 21 - 11641/10456=6, ~7645=2...(8) Peak 10456 from cnoeabs.peaks (0.36, 3.80, 59.88 ppm; 5.81 A): 1 out of 1 assignment used, quality = 0.58: QD1 ILE 97 + HA LYS 115 OK 58 98 - 59 - 11641/10455=15...(13) Peak 10457 from cnoeabs.peaks (0.90, 1.93, 32.18 ppm; 3.62 A): 3 out of 56 assignments used, quality = 0.54: QD2 LEU 38 + HB2 LYS 39 OK 36 78 - 47 - 9380/3.0=19, 7470/4.0=10...(7) QG2 VAL 104 + HB2 LYS 115 OK 16 81 - 19 - ~10225=4, ~10227=4...(6) QG2 VAL 104 + HB3 LYS 115 OK 14 73 - 20 - ~10225=4, ~10227=4...(6) QD1 LEU 90 - HB3 LYS 65 lone 8 91 - 9 - 10981/2.9=3, 5803/4.0=2 QD1 LEU 90 - HB2 LYS 65 lone 8 89 - 9 - 10981/2.9=3, 5803/4.0=2 QD1 LEU 70 - HB2 LYS 123 lone 7 80 - 9 - 5058/2.9=2, 4.7/436=2 QD2 LEU 90 - HB3 LYS 65 poor 7 64 - 11 - ~10981=4, 9696/4.7=2, 5810/4.0=1 QD2 LEU 90 - HB2 LYS 65 poor 7 62 - 11 - ~10981=4, 9696/4.7=2, 5810/4.0=1 QD2 LEU 70 - HB3 LYS 65 lone 6 91 - 7 - ~10981=2 QD2 LEU 70 - HB2 LYS 65 lone 6 89 - 7 - ~10981=2 QD1 LEU 70 - HB3 LYS 65 lone 6 87 - 7 - ~10981=1, 10981/2.9=1 QD2 LEU 70 - HB2 LYS 123 lone 6 85 - 7 - 4.7/436=2 QD1 LEU 70 - HB2 LYS 65 lone 6 85 - 7 - ~10981=1, 10981/2.9=1 QD1 LEU 90 - HB2 LYS 39 lone 5 84 - 6 - 11568/2.9=1, ~11038=1, ~9390=1 QD2 LEU 38 - HB3 LYS 65 lone 5 85 - 6 - 9696/4.7=4 QD2 LEU 38 - HB2 LYS 65 lone 5 83 - 6 - 9696/4.7=4 QG2 VAL 104 - HB3 LYS 65 lone 4 71 - 6 - ~10981=2 QG2 VAL 104 - HB2 LYS 65 lone 4 69 - 6 - ~10981=2 QD2 LEU 90 - HB2 LYS 39 lone 4 58 - 7 - 9392/4.3=1, 11038/2.9=1 QG2 VAL 104 - HB2 LYS 39 lone 4 64 - 6 - 216/4.0=1, 9392/4.3=1 QD2 LEU 38 - HB2 LYS 123 lone 3 78 - 4 - 9386/3.7=1 QD1 LEU 70 - HB3 LYS 115 lone 3 89 - 3 - HG13 ILE 54 - HB3 LYS 65 lone 3 74 - 4 - 2.1/11545=1 QD1 LEU 70 - HB2 LYS 115 lone 3 96 - 3 - QG2 VAL 29 - HB2 LYS 39 lone 3 87 - 3 - HG13 ILE 54 - HB2 LYS 65 lone 3 72 - 4 - 2.1/11545=1 QD1 LEU 70 - HB3 LYS 123 lone 3 49 - 6 - 5058/2.9=2, 7657/4.4=1 QD2 LEU 70 - HB3 LYS 115 lone 3 93 - 3 - QD2 LEU 70 - HB2 LYS 115 lone 3 99 - 3 - QG2 VAL 29 - HB2 LYS 123 lone 2 87 - 2 - QD2 LEU 70 - HB3 LYS 123 lone 2 53 - 4 - QD1 LEU 90 - HB2 LYS 123 lone 2 85 - 2 - QD2 LEU 38 - HB3 LYS 123 lone 2 47 - 3 - 9386/3.7=1 QG2 VAL 29 - HB2 LYS 115 lone 2 100 - 1 - QD2 LEU 38 - HB2 LYS 115 lone 1 94 - 2 - QD2 LEU 38 - HB3 LYS 115 lone 1 87 - 2 - QG2 VAL 29 - HB3 LYS 115 lone 1 95 - 1 - QD2 LEU 90 - HB2 LYS 123 lone 1 58 - 2 - QG2 VAL 104 - HB2 LYS 123 lone 1 64 - 2 - QG2 VAL 29 - HB3 LYS 123 lone 1 55 - 2 - QG2 VAL 29 - HB3 LYS 65 lone 1 94 - 1 - QG2 VAL 29 - HB2 LYS 65 lone 1 92 - 1 - QD2 LEU 70 - HB2 LYS 39 lone 1 84 - 1 - QD1 LEU 70 - HB2 LYS 39 lone 1 80 - 1 - QD1 LEU 90 - HB3 LYS 123 lone 1 53 - 2 - QD1 LEU 90 - HB2 LYS 115 lone 1 99 - 1 - HG13 ILE 54 - HB2 LYS 115 lone 1 84 - 1 - QD1 LEU 90 - HB3 LYS 115 lone 1 93 - 1 - HG13 ILE 54 - HB3 LYS 115 lone 1 76 - 1 - HG13 ILE 54 - HB2 LYS 39 lone 1 67 - 1 - HG13 ILE 54 - HB2 LYS 123 lone 1 68 - 1 - QD2 LEU 90 - HB2 LYS 115 lone 1 73 - 1 - QD2 LEU 90 - HB3 LYS 115 lone 1 66 - 1 - QD2 LEU 90 - HB3 LYS 123 lone 1 34 - 2 - QG2 VAL 104 - HB3 LYS 123 lone 0 38 - 1 - HG13 ILE 54 - HB3 LYS 123 lone 0 40 - 1 - Peak 10458 from cnoeabs.peaks (0.79, 1.93, 32.18 ppm; 3.84 A): 11 out of 49 assignments used, quality = 0.94: QD1 LEU 81 + HB3 LYS 65 OK 37 92 - 40 - 10805/2.9=11...(9) QD1 LEU 81 + HB2 LYS 65 OK 36 90 - 40 - 10805/2.9=11...(9) QD1 LEU 81 + HB2 LYS 115 OK 25 99 - 25 - 10478/4.4=8, 11606/3.0=6...(6) QD2 LEU 64 + HB3 LYS 65 OK 24 94 - 26 - 10805/2.9=8, 397/4.0=8...(7) QD2 LEU 64 + HB2 LYS 65 OK 24 92 - 26 - 10805/2.9=8, 397/4.0=8...(7) QD1 LEU 81 + HB3 LYS 115 OK 23 94 - 25 - 10478/4.4=8, 11606/3.0=6...(6) QD2 LEU 64 + HB2 LYS 115 OK 20 100 - 20 - 10452/3.0=6, 10478/4.4=3...(5) QD2 LEU 64 + HB3 LYS 115 OK 19 95 - 20 - 10452/3.0=6, 10478/4.4=3...(5) QD2 LEU 80 + HB2 LYS 115 OK 12 94 - 13 - 10452/3.0=4, 10478/4.4=2 QD1 LEU 80 + HB2 LYS 115 OK 11 92 - 12 - 10452/3.0=3, ~10452=2 QD2 LEU 80 + HB3 LYS 115 OK 11 87 - 12 - 10452/3.0=4, 10478/4.4=2 QD2 LEU 80 - HB3 LYS 65 poor 10 85 - 12 - 10805/2.9=3, ~10805=1 QD1 LEU 80 - HB3 LYS 115 poor 10 84 - 12 - 10452/3.0=3, ~10452=2 QD2 LEU 80 - HB2 LYS 65 poor 10 83 - 12 - 10805/2.9=3, ~10805=1 QD1 LEU 80 - HB3 LYS 65 poor 9 83 - 11 - 10805/2.9=2, ~10805=2 QD1 LEU 80 - HB2 LYS 65 poor 9 80 - 11 - 10805/2.9=2, ~10805=2 QD2 LEU 80 - HB2 LYS 39 lone 8 78 - 10 - 11039/2.9=3, ~11039=2 QD1 LEU 80 - HB2 LYS 39 lone 7 75 - 10 - 11039/2.9=3, ~11039=2 QD1 LEU 82 - HB3 LYS 65 lone 6 89 - 7 - 10805/2.9=3 QD1 LEU 82 - HB2 LYS 65 lone 6 86 - 7 - 10805/2.9=3 QD1 LEU 81 - HB2 LYS 39 lone 5 86 - 5 - 11039/2.9=2 QD1 LEU 82 - HB2 LYS 115 lone 4 97 - 4 - 10478/4.4=1, 10452/3.0=1 QD1 LEU 82 - HB3 LYS 115 lone 4 90 - 4 - 10478/4.4=1, 10452/3.0=1 QD1 LEU 80 - HB2 LYS 123 lone 2 76 - 3 - QD1 LEU 82 - HB2 LYS 39 lone 2 82 - 3 - QD2 LEU 80 - HB2 LYS 123 lone 2 78 - 3 - QD2 LEU 64 - HB2 LYS 123 lone 2 87 - 2 - QD1 ILE 7 - HB3 LYS 65 lone 2 57 - 3 - 10805/2.9=1 QD1 ILE 7 - HB2 LYS 65 lone 2 55 - 3 - 10805/2.9=1 QG1 VAL 29 - HB2 LYS 39 lone 2 61 - 3 - QD1 LEU 81 - HB2 LYS 123 lone 2 86 - 2 - QD2 LEU 64 - HB2 LYS 39 lone 2 87 - 2 - QD1 ILE 7 - HB2 LYS 115 lone 2 65 - 2 - QG1 VAL 29 - HB2 LYS 115 lone 1 77 - 2 - QD1 ILE 7 - HB3 LYS 115 lone 1 58 - 2 - QG1 VAL 29 - HB3 LYS 115 lone 1 70 - 2 - QD1 LEU 82 - HB2 LYS 123 lone 1 82 - 2 - QG1 VAL 29 - HB2 LYS 123 lone 1 61 - 2 - QD1 LEU 80 - HB3 LYS 123 lone 1 46 - 3 - QD2 LEU 80 - HB3 LYS 123 lone 1 47 - 2 - QD1 ILE 7 - HB2 LYS 39 lone 1 51 - 2 - 11039/2.9=1 QD1 LEU 81 - HB3 LYS 123 lone 1 53 - 2 - QD2 LEU 64 - HB3 LYS 123 lone 1 55 - 2 - QG1 VAL 29 - HB3 LYS 65 lone 1 68 - 1 - QG1 VAL 29 - HB2 LYS 65 lone 1 66 - 1 - QD1 ILE 7 - HB2 LYS 123 lone 1 51 - 1 - QD1 LEU 82 - HB3 LYS 123 lone 1 50 - 1 - QG1 VAL 29 - HB3 LYS 123 lone 1 36 - 2 - QD1 ILE 7 - HB3 LYS 123 lone 0 29 - 1 - Peak 10459 from cnoeabs.peaks (0.70, 1.93, 32.18 ppm; 4.51 A): 8 out of 63 assignments used, quality = 0.92: QD2 LEU 81 + HB3 LYS 65 OK 41 92 - 44 - 9956/3.0=11, ~10805=9...(11) QD2 LEU 81 + HB2 LYS 65 OK 40 90 - 44 - 9956/3.0=11, ~10805=9...(10) QD2 LEU 81 + HB2 LYS 115 OK 37 99 - 37 - 9948/4.4=16, 9956/3.0=8...(7) QD2 LEU 81 + HB3 LYS 115 OK 34 94 - 36 - 9948/4.4=16, 9956/3.0=8...(7) QG2 ILE 97 + HB2 LYS 115 OK 19 57 - 34 - ~10456=13, ~10131=6...(8) QG2 ILE 97 + HB3 LYS 115 OK 17 51 - 34 - ~10456=13, ~10131=6...(8) QD2 LEU 63 + HB2 LYS 39 OK 12 82 - 15 - 10958/4.0=13 QG1 VAL 117 + HB2 LYS 115 OK 10 61 - 17 - ~10516=6, 2.1/10523=5...(5) QD2 LEU 63 - HB3 LYS 65 poor 9 89 - 10 - 10958/4.7=5, 4.8/6709=2...(4) QD2 LEU 63 - HB2 LYS 65 poor 9 86 - 10 - 10958/4.7=5, 746/4.0=1...(4) QG1 VAL 117 - HB3 LYS 115 poor 8 55 - 16 - ~10516=6, 2.1/10523=5...(4) QD2 LEU 81 - HB2 LYS 39 lone 7 86 - 8 - ~11039=2, 11389/2.9=2 QG2 ILE 97 - HB3 LYS 65 poor 7 49 - 14 - ~10981=4, ~10124=2...(6) QG2 ILE 97 - HB2 LYS 65 poor 7 48 - 14 - ~10981=4, ~10124=2...(6) QG1 VAL 117 - HB3 LYS 65 lone 5 53 - 9 - 7905/4.0=3, 2.1/10523=2 QG1 VAL 117 - HB2 LYS 65 lone 5 51 - 9 - 7905/4.0=3, 2.1/10523=2 QG2 ILE 97 - HB2 LYS 123 poor 5 44 - 10 - 10114/3.8=3, 11107/3.8=2 QG2 ILE 97 - HB2 LYS 39 lone 3 44 - 7 - 4.0/3568=3, ~10127=2 QD1 LEU 6 - HB3 LYS 65 lone 3 74 - 4 - QD1 LEU 6 - HB2 LYS 65 lone 3 72 - 4 - QD2 LEU 63 - HB2 LYS 115 lone 3 97 - 3 - QD1 LEU 6 - HB2 LYS 123 lone 3 68 - 4 - 11560/3.7=2 QD2 LEU 63 - HB3 LYS 115 lone 2 90 - 3 - QD2 LEU 63 - HB2 LYS 123 lone 2 82 - 3 - QG2 ILE 97 - HB3 LYS 123 lone 2 25 - 8 - 10114/3.8=3, 11107/3.8=2 QD1 ILE 57 - HB2 LYS 123 lone 2 85 - 2 - QD2 LEU 81 - HB2 LYS 123 lone 2 86 - 2 - QG2 ILE 56 - HB2 LYS 115 lone 2 96 - 2 - QD1 LEU 6 - HB2 LYS 39 lone 2 67 - 2 - QD1 ILE 57 - HB3 LYS 65 lone 2 91 - 2 - QD1 ILE 57 - HB2 LYS 115 lone 2 99 - 2 - QD1 ILE 57 - HB2 LYS 65 lone 2 89 - 2 - QG2 ILE 56 - HB3 LYS 65 lone 2 87 - 2 - QD1 ILE 57 - HB3 LYS 115 lone 2 93 - 2 - QG2 ILE 56 - HB3 LYS 115 lone 1 89 - 2 - QG2 ILE 56 - HB2 LYS 65 lone 1 85 - 2 - QD1 LEU 6 - HB3 LYS 123 lone 1 40 - 4 - 11560/3.7=2 QD1 ILE 57 - HB2 LYS 39 lone 1 84 - 2 - QG1 VAL 117 - HB2 LYS 123 lone 1 48 - 3 - QD2 LEU 81 - HB3 LYS 123 lone 1 53 - 2 - QD1 LEU 55 - HB2 LYS 115 lone 1 65 - 2 - QD1 ILE 57 - HB3 LYS 123 lone 1 53 - 2 - QD1 LEU 6 - HB2 LYS 115 lone 1 84 - 1 - QG2 ILE 18 - HB2 LYS 39 lone 1 58 - 2 - QD2 LEU 63 - HB3 LYS 123 lone 1 50 - 2 - QD1 LEU 55 - HB3 LYS 115 lone 1 58 - 2 - QG2 ILE 18 - HB2 LYS 115 lone 1 73 - 1 - QD1 LEU 6 - HB3 LYS 115 lone 1 76 - 1 - QG2 ILE 56 - HB2 LYS 39 lone 1 80 - 1 - QG2 ILE 18 - HB3 LYS 65 lone 1 64 - 1 - QG2 ILE 18 - HB2 LYS 123 lone 1 58 - 2 - QG2 ILE 18 - HB2 LYS 65 lone 1 62 - 1 - QG1 VAL 117 - HB2 LYS 39 lone 1 48 - 2 - QD1 LEU 55 - HB2 LYS 123 lone 1 51 - 2 - QG2 ILE 18 - HB3 LYS 115 lone 1 66 - 1 - QD1 LEU 55 - HB3 LYS 65 lone 1 57 - 2 - QD1 LEU 55 - HB2 LYS 65 lone 1 55 - 2 - QG2 ILE 56 - HB2 LYS 123 lone 1 80 - 1 - QG1 VAL 117 - HB3 LYS 123 lone 1 27 - 2 - QD1 LEU 55 - HB2 LYS 39 lone 1 51 - 1 - QG2 ILE 18 - HB3 LYS 123 lone 1 34 - 1 - QG2 ILE 56 - HB3 LYS 123 lone 0 49 - 1 - QD1 LEU 55 - HB3 LYS 123 lone 0 29 - 1 - Peak 10460 from cnoeabs.peaks (4.01, 1.30, 24.91 ppm; 5.13 A): 5 out of 13 assignments used, quality = 0.79: HA GLU 112 + HG3 LYS 115 OK 56 92 - 61 - 8244/5.0=16, 8247/3.0=15...(10) HB2 SER 99 + HG3 LYS 115 OK 20 90 - 23 - 4.5/6739=4, ~10462=3...(12) HB3 SER 99 + HG3 LYS 115 OK 20 90 - 23 - 4.5/6739=4, ~10462=3...(12) HA GLU 66 + HG3 LYS 115 OK 17 61 - 28 - ~7625=7, ~402=7, ~400=2...(9) HA GLU 111 + HG3 LYS 115 OK 11 61 - 18 - 2196/5.0=5, 10462/1.8=2...(7) HA LYS 17 - HG3 LYS 115 poor 8 77 - 10 - 2196/5.0=2, 8246/3.0=1...(4) HA LYS 123 - HG3 LYS 115 lone 7 65 - 10 - ~1812=1 HA LYS 40 - HG3 LYS 115 lone 4 77 - 5 - HA3 GLY 75 - HG3 LYS 115 lone 3 99 - 3 - HA3 GLY 101 - HG3 LYS 115 lone 2 100 - 2 - HA PHE 120 - HG3 LYS 115 lone 2 77 - 3 - HA GLU 13 - HG3 LYS 115 lone 1 61 - 2 - HB2 SER 126 - HG3 LYS 115 lone 1 73 - 1 - Peak 10461 from cnoeabs.peaks (4.01, 1.66, 29.55 ppm; 3.43 A): 4 out of 56 assignments used, quality = 0.69: HA GLU 66 + HD2 LYS 65 OK 26 74 - 36 - ~7626=8, ~7625=7, ~403=6...(10) HA GLU 112 + HD3 LYS 115 OK 26 77 - 33 - 11463=7, 11463/1.8=6...(10) HA GLU 112 + HD2 LYS 115 OK 25 75 - 34 - 11463=7, 11463/1.8=6...(10) HA GLU 66 + HD3 LYS 65 OK 24 66 - 36 - ~7626=8, ~7625=7, ~403=6...(10) HA GLU 112 - HD2 LYS 65 poor 8 70 - 11 - 11463=2, 11463/1.8=2...(4) HA GLU 66 - HD3 LYS 115 lone 7 81 - 8 - ~7625=2, ~402=2, 10460/2.9=2 HA GLU 112 - HD3 LYS 65 poor 7 63 - 11 - 11463=2, 11463/1.8=2...(4) HA GLU 66 - HD2 LYS 115 lone 6 79 - 8 - ~7625=2, ~402=2, 10460/2.9=2 HB3 SER 99 - HD3 LYS 115 lone 6 73 - 8 - 10460/2.9=2, ~10460=1 HB2 SER 99 - HD3 LYS 115 lone 6 73 - 8 - 10460/2.9=2, ~10460=1 HB2 SER 99 - HD2 LYS 115 lone 6 71 - 8 - 10460/2.9=2, ~10460=1 HB3 SER 99 - HD2 LYS 115 lone 6 71 - 8 - 10460/2.9=2, ~10460=1 HA LYS 123 - HD2 LYS 65 lone 4 77 - 5 - HA LYS 123 - HD3 LYS 115 lone 4 84 - 5 - HA LYS 123 - HD2 LYS 115 lone 4 82 - 5 - HA LYS 123 - HD3 LYS 65 lone 3 69 - 5 - HA PHE 120 - HD2 LYS 65 lone 3 85 - 3 - HA PHE 120 - HD3 LYS 65 lone 3 77 - 3 - HA GLU 13 - HD3 LYS 115 lone 2 81 - 3 - 4.1/11467=1 HA LYS 40 - HD3 LYS 115 lone 2 92 - 2 - HA LYS 17 - HD3 LYS 115 lone 2 57 - 3 - HA LYS 40 - HD2 LYS 115 lone 2 90 - 2 - HA LYS 17 - HD2 LYS 115 lone 2 56 - 3 - HA3 GLY 75 - HD3 LYS 115 lone 2 100 - 2 - HA3 GLY 75 - HD2 LYS 115 lone 2 99 - 2 - HA LYS 40 - HD2 LYS 65 lone 2 85 - 2 - HA GLU 13 - HD2 LYS 115 lone 2 79 - 2 - 4.1/11467=1 HA LYS 40 - HD3 LYS 65 lone 1 77 - 2 - HA PHE 120 - HD3 LYS 115 lone 1 92 - 1 - HA PHE 120 - HD2 LYS 115 lone 1 90 - 1 - HA GLU 119 - HD3 LYS 115 lone 1 77 - 1 - HA GLU 119 - HD2 LYS 115 lone 1 75 - 1 - HA3 GLY 101 - HD3 LYS 115 lone 1 100 - 1 - HA3 GLY 101 - HD2 LYS 115 lone 1 99 - 1 - HA3 GLY 75 - HD2 LYS 65 lone 1 96 - 1 - HA3 GLY 75 - HD3 LYS 65 lone 1 89 - 1 - HB2 SER 99 - HD2 LYS 65 lone 1 67 - 1 - HB3 SER 99 - HD2 LYS 65 lone 1 67 - 1 - HA GLU 13 - HD2 LYS 65 lone 1 74 - 1 - HB3 SER 99 - HD3 LYS 65 lone 1 59 - 1 - HB2 SER 99 - HD3 LYS 65 lone 1 59 - 1 - HA GLU 119 - HD2 LYS 65 lone 1 70 - 1 - HA3 GLY 101 - HD2 LYS 65 lone 1 95 - 1 - HA GLU 13 - HD3 LYS 65 lone 1 66 - 1 - HA GLU 119 - HD3 LYS 65 lone 1 63 - 1 - HA3 GLY 101 - HD3 LYS 65 lone 1 88 - 1 - HA LYS 17 - HD2 LYS 65 lone 0 52 - 1 - HB2 SER 126 - HD3 LYS 115 lone 0 90 - 0 - HB2 SER 126 - HD2 LYS 115 lone 0 88 - 0 - HA LYS 17 - HD3 LYS 65 lone 0 45 - 1 - HB2 SER 126 - HD2 LYS 65 lone 0 83 - 0 - HB2 SER 126 - HD3 LYS 65 lone 0 74 - 0 - HB3 SER 126 - HD3 LYS 115 lone 0 65 - 0 - HB3 SER 126 - HD2 LYS 115 lone 0 64 - 0 - HB3 SER 126 - HD2 LYS 65 lone 0 59 - 0 - HB3 SER 126 - HD3 LYS 65 lone 0 52 - 0 - Peak 10462 from cnoeabs.peaks (3.99, 1.56, 24.91 ppm; 4.30 A): 7 out of 24 assignments used, quality = 0.94: HA GLU 112 + HG2 LYS 115 OK 57 100 - 57 - 8247/3.0=14, 8245/3.0=14...(10) HB2 SER 99 + HG3 LYS 96 OK 48 86 - 55 - 8228/4.0=16, ~8210=9...(17) HB3 SER 99 + HG3 LYS 96 OK 48 86 - 55 - 8228/4.0=16, ~8210=9...(17) HB3 SER 99 + HG2 LYS 115 OK 17 100 - 17 - ~10460=3, 10460/1.8=3...(6) HB2 SER 99 + HG2 LYS 115 OK 17 100 - 17 - ~10460=3, 10460/1.8=3...(6) HA GLU 111 + HG2 LYS 115 OK 17 98 - 17 - 2196/5.0=4, 11192/2.9=3...(7) HA GLU 112 + HG2 LYS 65 OK 14 72 - 19 - 8247/2.9=4, 8247/2.9=4...(7) HA LYS 17 - HG2 LYS 115 lone 8 100 - 8 - 2196/5.0=2, 8246/3.0=1 HA LYS 17 - HG3 LYS 96 lone 6 86 - 6 - 2815/1.8=1 HA LEU 14 - HG2 LYS 115 lone 5 94 - 5 - 7979/3.0=1 HA GLU 111 - HG2 LYS 65 lone 4 69 - 5 - HB3 SER 99 - HG2 LYS 65 lone 2 73 - 3 - HB2 SER 99 - HG2 LYS 65 lone 2 73 - 3 - HA GLU 112 - HG3 LYS 96 lone 2 86 - 2 - HA LYS 17 - HG2 LYS 65 lone 2 73 - 2 - HA3 GLY 75 - HG2 LYS 115 lone 2 65 - 2 - HA3 GLY 101 - HG2 LYS 115 lone 1 77 - 2 - HA LEU 14 - HG2 LYS 65 lone 1 64 - 2 - HA GLU 111 - HG3 LYS 96 lone 1 83 - 1 - HA LEU 14 - HG3 LYS 96 lone 1 77 - 1 - HA3 GLY 101 - HG3 LYS 96 lone 0 61 - 1 - HA3 GLY 101 - HG2 LYS 65 lone 0 49 - 1 - HA3 GLY 75 - HG2 LYS 65 lone 0 41 - 1 - HA3 GLY 75 - HG3 LYS 96 lone 0 50 - 1 - Peak 10463 from cnoeabs.peaks (7.10, 1.56, 24.91 ppm; 5.13 A): 0 out of 6 assignments used, low quality = 0.43: QE PHE 79 - HG2 LYS 65 OK 23 70 - 33 - 11054/3.9=12...(5) HZ PHE 93 - HG2 LYS 65 OK 16 38 - 42 - 11054/3.9=9, ~11594=9...(7) QE PHE 79 - HG2 LYS 115 OK 11 99 - 11 - 11055/3.0=2, 11055/3.0=2...(6) HZ PHE 93 - HG2 LYS 115 poor 7 61 - 11 - ~11594=2, 10141/10129=2, ~4672=1 QE PHE 79 - HG3 LYS 96 lone 5 84 - 6 - ~4663=2, ~4644=2 HZ PHE 93 - HG3 LYS 96 lone 3 47 - 6 - 7.2/10085=3, 10141/10129=1 Peak 10464 from cnoeabs.peaks (8.83, 0.04, 18.11 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.92: H PHE 120 + QG2 ILE 116 OK 92 97 - 95 - 10554=48, 2222/3.2=34...(11) Peak 10465 from cnoeabs.peaks (7.12, 0.04, 18.11 ppm; 4.50 A): 2 out of 3 assignments used, quality = 0.61: QE PHE 120 + QG2 ILE 116 OK 55 65 - 85 - 2.2/4717=40, 2.2/4710=32...(16) QE PHE 93 + QG2 ILE 116 OK 13 70 - 18 - 11603/9958=3, ~4684=2...(11) QD PHE 51 - QG2 ILE 116 lone 6 99 - 6 - 10254/10274=1...(3) Peak 10466 from cnoeabs.peaks (7.01, 0.04, 18.11 ppm; 4.69 A): 1 out of 4 assignments used, quality = 0.89: HZ PHE 120 + QG2 ILE 116 OK 89 99 - 89 - 4717=49, 2.2/4734=44...(14) HD22 ASN 33 - QG2 ILE 116 lone 8 99 - 8 - 10253/10273=2...(4) HE22 GLN 28 - QG2 ILE 116 lone 7 100 - 7 - 10253/10273=2...(4) HD22 ASN 88 - QG2 ILE 116 lone 3 84 - 4 - Peak 10467 from cnoeabs.peaks (6.79, 0.04, 18.11 ppm; 5.41 A): 1 out of 2 assignments used, quality = 0.95: QD PHE 120 + QG2 ILE 116 OK 95 100 - 95 - 2.2/4734=49, 3.8/4717=39...(15) QD TYR 27 - QG2 ILE 116 OK 13 100 - 13 - 10528/10503=4...(5) Peak 10469 from cnoeabs.peaks (3.79, 3.46, 64.12 ppm; 6.20 A): 2 out of 5 assignments used, quality = 0.98: HA ALA 113 + HA ILE 116 OK 90 94 - 96 - 8251/3.0=37...(15) HA LYS 115 + HA ILE 116 OK 82 94 - 87 - ~1958=31, ~725=24...(14) HA LYS 65 - HA ILE 116 OK 43 100 - 44 - 3.0/2209=9, 10471/3.2=6...(11) HB2 SER 58 - HA ILE 116 lone 6 90 - 7 - 4.0/8273=1, ~9603=1, 9598/3.0=1 HA LEU 68 - HA ILE 116 lone 6 87 - 7 - 8148/3.0=1 Peak 10471 from cnoeabs.peaks (3.80, 0.04, 18.11 ppm; 6.20 A): 3 out of 4 assignments used, quality = 1.00: HA ALA 113 + QG2 ILE 116 OK 98 100 - 98 - 8251/4.0=35...(23) HA LYS 115 + QG2 ILE 116 OK 83 100 - 84 - 3.6/1762=47, 8253/2.1=17...(15) HA LYS 65 + QG2 ILE 116 OK 46 98 - 47 - 8253/2.1=7, 10469/3.2=6...(16) HA2 GLY 26 - QG2 ILE 116 lone 8 77 - 10 - ~6824=2, ~6796=2...(5) Peak 10473 from cnoeabs.peaks (5.26, 0.04, 18.11 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.84: HA LEU 81 + QG2 ILE 116 OK 80 84 - 95 - 3.9/9958=47, 3.9/9959=45...(14) HA GLN 83 + QG2 ILE 116 OK 22 99 - 22 - 10310/11187=5...(9) Peak 10474 from cnoeabs.peaks (3.25, 0.04, 18.11 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.89: HA VAL 117 + QG2 ILE 116 OK 89 92 - 97 - 10503=44, 3.0/738=27...(20) Peak 10475 from cnoeabs.peaks (3.79, 0.68, 13.41 ppm; 4.14 A): 3 out of 5 assignments used, quality = 0.94: HA ALA 113 + QD1 ILE 116 OK 83 98 - 85 - 10416=29, 10417/3.0=16...(18) HA LYS 115 + QD1 ILE 116 OK 58 98 - 59 - 3.6/6824=24, 8253/3.2=8...(13) HA LYS 65 + QD1 ILE 116 OK 20 100 - 20 - 8253/3.2=3, 10471/3.0=3...(8) HB2 SER 58 - QD1 ILE 116 lone 2 81 - 3 - HA LEU 68 - QD1 ILE 116 lone 2 77 - 3 - Peak 10476 from cnoeabs.peaks (3.99, 0.68, 13.41 ppm; 6.20 A): 3 out of 7 assignments used, quality = 0.88: HA GLU 112 + QD1 ILE 116 OK 76 98 - 78 - 8249/4.7=33, 3.6/7901=21...(16) HA GLU 111 + QD1 ILE 116 OK 32 100 - 32 - 11423=7, 2202/4.7=6...(10) HA LYS 17 + QD1 ILE 116 OK 24 100 - 24 - 3.0/10914=5, 3.9/10917=4...(8) HA LEU 14 - QD1 ILE 116 lone 10 98 - 10 - 2202/4.7=2 HB2 SER 99 - QD1 ILE 116 lone 7 99 - 7 - 2202/4.7=2 HB3 SER 99 - QD1 ILE 116 lone 7 99 - 7 - 2202/4.7=2 HA3 GLY 101 - QD1 ILE 116 lone 3 65 - 4 - 3.6/10169=2 Peak 10477 from cnoeabs.peaks (4.62, 0.68, 13.41 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.75: HA VAL 107 + QD1 ILE 116 OK 75 100 - 75 - 3.2/11417=24, ~11187=23...(11) HA ASN 50 - QD1 ILE 116 lone 2 94 - 2 - Peak 10481 from cnoeabs.peaks (2.46, 3.46, 64.12 ppm; 6.20 A): 1 out of 7 assignments used, quality = 0.93: HG3 GLU 119 + HA ILE 116 OK 93 100 - 93 - 10548=49, 5.3/2216=40...(9) HB2 TYR 102 - HA ILE 116 lone 4 84 - 5 - 10171/4.1=1 HG3 GLU 41 - HA ILE 116 lone 3 100 - 3 - HB2 ASP 31 - HA ILE 116 lone 3 96 - 3 - HB3 ASP 31 - HA ILE 116 lone 3 94 - 3 - HG2 GLU 37 - HA ILE 116 lone 2 70 - 2 - HG2 GLN 100 - HA ILE 116 lone 1 65 - 2 - Peak 10482 from cnoeabs.peaks (0.77, 3.46, 64.12 ppm; 5.58 A): 6 out of 11 assignments used, quality = 0.95: QD1 LEU 81 + HA ILE 116 OK 64 70 - 93 - ~9959=32, 9958/3.2=30...(14) QG1 VAL 107 + HA ILE 116 OK 62 94 - 66 - 11187/3.2=27...(8) QD2 LEU 80 + HA ILE 116 OK 25 99 - 25 - 10478/3.0=5, 10491/3.2=4...(8) QD1 LEU 80 + HA ILE 116 OK 24 100 - 24 - 10478/3.0=4, ~10478=4...(8) QD2 LEU 64 + HA ILE 116 OK 22 90 - 24 - 10478/3.0=7, 4.7/2209=6...(6) QD1 LEU 82 + HA ILE 116 OK 16 98 - 16 - 10478/3.0=3, 10484/3.0=3...(7) QD1 ILE 7 - HA ILE 116 lone 8 99 - 8 - 10491/3.2=3, 11617/4.0=1 QG2 VAL 32 - HA ILE 116 lone 5 94 - 5 - ~10931=1 QD2 LEU 14 - HA ILE 116 lone 5 94 - 5 - ~10485=1 QD1 ILE 15 - HA ILE 116 lone 4 96 - 4 - QD1 LEU 45 - HA ILE 116 lone 1 65 - 2 - Peak 10484 from cnoeabs.peaks (0.79, 1.63, 36.32 ppm; 4.53 A): 1 out of 7 assignments used, quality = 0.93: QD1 LEU 81 + HB ILE 116 OK 93 99 - 93 - 9958/2.1=48, ~9959=28...(17) QD2 LEU 64 - HB ILE 116 OK 20 100 - 21 - 10478/3.9=5, 10491/2.1=4...(7) QD2 LEU 80 - HB ILE 116 OK 19 94 - 21 - 10491/2.1=4, 10493/2.9=3...(8) QD1 LEU 80 - HB ILE 116 OK 17 92 - 18 - 10493/2.9=3, 10478/3.9=3...(7) QD1 LEU 82 - HB ILE 116 OK 16 97 - 16 - 4.6/1543=3, 10493/2.9=3...(6) QD1 ILE 7 - HB ILE 116 poor 7 65 - 11 - 10491/2.1=3, 9083/4706=2 QG1 VAL 29 - HB ILE 116 lone 1 77 - 1 - Peak 10485 from cnoeabs.peaks (0.86, 1.63, 36.32 ppm; 5.90 A): 2 out of 11 assignments used, quality = 0.98: QG2 VAL 117 + HB ILE 116 OK 89 98 - 91 - 10525/2.1=40, ~10503=31...(13) QG2 VAL 107 + HB ILE 116 OK 83 94 - 89 - ~11187=29, 11417/3.2=23...(20) QD1 LEU 14 - HB ILE 116 OK 12 100 - 12 - 10414/8252=2...(4) HG13 ILE 5 - HB ILE 116 poor 9 84 - 11 - ~10489=2, 4707/4706=2...(4) QG2 ILE 15 - HB ILE 116 lone 8 87 - 9 - 2.1/10487=2, 4.1/1106=1 QG1 VAL 32 - HB ILE 116 lone 8 96 - 8 - 10931=1, 10492/2.1=1 QG2 VAL 22 - HB ILE 116 lone 7 99 - 7 - 10852/4706=2...(3) QG2 ILE 5 - HB ILE 116 poor 7 65 - 11 - 4707/4706=2, ~10939=2, ~10489=2 HG13 ILE 57 - HB ILE 116 lone 6 100 - 6 - 10492/2.1=1 QG2 THR 9 - HB ILE 116 lone 5 99 - 5 - QG2 ILE 57 - HB ILE 116 lone 4 61 - 6 - Peak 10486 from cnoeabs.peaks (1.42, 1.63, 36.32 ppm; 6.20 A): 4 out of 11 assignments used, quality = 0.94: QB ALA 113 + HB ILE 116 OK 88 90 - 98 - ~10417=33, 2.1/8252=28...(24) HG3 LYS 17 + HB ILE 116 OK 26 96 - 27 - 10479/3.9=4, 10918/3.2=4...(9) HB3 GLN 83 + HB ILE 116 OK 19 100 - 19 - ~10473=6, 10899/11186=3...(5) HB3 LEU 63 + HB ILE 116 OK 15 99 - 15 - 10479/3.9=4, 11261/2.9=2...(6) HG12 ILE 56 - HB ILE 116 lone 6 98 - 6 - 10479/3.9=2 HB3 LYS 61 - HB ILE 116 lone 5 90 - 5 - 3.0/8099=1 HG2 LYS 96 - HB ILE 116 lone 4 61 - 6 - ~11193=2 HG3 LYS 106 - HB ILE 116 lone 4 61 - 6 - 10899/11186=2 HG3 LYS 44 - HB ILE 116 lone 3 70 - 4 - HB2 LEU 4 - HB ILE 116 lone 2 73 - 3 - HB3 LEU 4 - HB ILE 116 lone 2 73 - 3 - Peak 10487 from cnoeabs.peaks (1.91, 1.63, 36.32 ppm; 6.20 A): 2 out of 19 assignments used, quality = 0.96: HB2 LEU 81 + HB ILE 116 OK 92 94 - 98 - ~9958=43, ~9959=38...(20) HB2 LYS 115 + HB ILE 116 OK 54 65 - 83 - 4.4/6796=41, ~11193=17...(14) HB3 LYS 17 - HB ILE 116 OK 24 87 - 28 - 3.0/10486=6, 10914/3.2=4...(8) HB ILE 15 - HB ILE 116 OK 11 99 - 11 - 10431/4.4=2, 2.1/10485=1 HB ILE 7 - HB ILE 116 poor 9 65 - 14 - 10431/4.4=3, ~10491=3...(4) HG2 MET 121 - HB ILE 116 lone 8 97 - 9 - 10431/4.4=2 HB2 LYS 96 - HB ILE 116 lone 5 94 - 6 - ~11193=1 HB3 LYS 123 - HB ILE 116 lone 5 99 - 5 - HB2 LYS 44 - HB ILE 116 lone 4 100 - 4 - HB2 GLU 128 - HB ILE 116 lone 4 94 - 5 - 11026/2.9=1 HB3 LYS 44 - HB ILE 116 lone 4 99 - 4 - HB ILE 71 - HB ILE 116 lone 4 81 - 5 - HB2 LYS 43 - HB ILE 116 lone 3 100 - 3 - HB2 LEU 45 - HB ILE 116 lone 3 98 - 3 - HB3 LYS 43 - HB ILE 116 lone 3 94 - 3 - HB2 ARG 95 - HB ILE 116 lone 3 84 - 3 - HB2 LYS 73 - HB ILE 116 lone 2 77 - 3 - HB3 LYS 73 - HB ILE 116 lone 2 73 - 3 - HB2 LYS 49 - HB ILE 116 lone 2 90 - 2 - Peak 10488 from cnoeabs.peaks (1.34, 0.04, 18.11 ppm; 4.91 A): 2 out of 4 assignments used, quality = 0.99: HG LEU 81 + QG2 ILE 116 OK 95 100 - 95 - 2.1/9958=48, 2.1/9959=45...(16) HB3 LEU 81 + QG2 ILE 116 OK 79 84 - 94 - 3.1/9958=44, 3.1/9959=39...(16) HG3 LYS 65 - QG2 ILE 116 OK 21 100 - 21 - 10805/9958=7...(6) HG2 LYS 77 - QG2 ILE 116 lone 3 87 - 3 - Peak 10489 from cnoeabs.peaks (1.81, 0.04, 18.11 ppm; 3.95 A): 2 out of 9 assignments used, quality = 0.98: HG2 ARG 105 + QG2 ILE 116 OK 87 99 - 88 - 10273=32, 1.8/10274=29...(16) HB3 ARG 105 + QG2 ILE 116 OK 80 98 - 82 - 3.0/10273=24...(14) HB2 ARG 118 - QG2 ILE 116 OK 13 90 - 15 - 4.2/10545=12 HG12 ILE 5 - QG2 ILE 116 lone 9 100 - 9 - 4728/4734=3, 4714/4717=2 HB ILE 18 - QG2 ILE 116 lone 5 90 - 5 - 10510/10526=1 HB ILE 57 - QG2 ILE 116 lone 5 84 - 6 - 11633/9958=2, 11634/9959=1 HB ILE 97 - QG2 ILE 116 lone 3 100 - 3 - HB ILE 3 - QG2 ILE 116 lone 3 99 - 3 - HB2 LEU 14 - QG2 ILE 116 lone 3 84 - 3 - Peak 10490 from cnoeabs.peaks (2.09, 0.04, 18.11 ppm; 4.78 A): 5 out of 15 assignments used, quality = 0.93: HG2 GLU 119 + QG2 ILE 116 OK 57 70 - 83 - 10549/3.2=18, ~10548=16...(18) HB2 GLU 112 + QG2 ILE 116 OK 53 94 - 56 - 4.6/738=13, 10498/3.0=8...(16) HB3 GLU 112 + QG2 ILE 116 OK 52 92 - 56 - 4.6/738=13, 10498/3.0=7...(16) HB2 GLU 111 + QG2 ILE 116 OK 16 98 - 16 - ~11423=3, ~10476=3...(7) HB3 GLU 66 + QG2 ILE 116 OK 15 100 - 15 - ~11066=4, 10498/3.0=2...(6) HG3 GLU 21 - QG2 ILE 116 poor 10 90 - 11 - 10498/3.0=2, ~10498=1...(4) HG2 GLU 21 - QG2 ILE 116 poor 9 84 - 11 - 10498/3.0=2, ~10498=1...(4) HB2 GLU 103 - QG2 ILE 116 lone 8 98 - 8 - 4712/4717=3, 10572/4710=2 HB3 GLU 92 - QG2 ILE 116 lone 5 81 - 6 - HB3 MET 121 - QG2 ILE 116 lone 5 73 - 6 - 759/10554=2, 1783/10545=1 HB3 GLU 69 - QG2 ILE 116 lone 4 99 - 4 - HB2 GLU 87 - QG2 ILE 116 lone 4 100 - 4 - HB3 PHE 79 - QG2 ILE 116 lone 2 65 - 4 - 4702/4710=1 HG2 GLU 52 - QG2 ILE 116 lone 2 97 - 2 - HB3 GLU 47 - QG2 ILE 116 lone 1 70 - 2 - Peak 10491 from cnoeabs.peaks (0.78, 0.04, 18.11 ppm; 3.55 A): 7 out of 10 assignments used, quality = 0.94: QD1 LEU 81 + QG2 ILE 116 OK 82 94 - 87 - 9958=44, 2.1/9959=27...(19) QG1 VAL 107 + QG2 ILE 116 OK 33 70 - 48 - 11186/2.1=9, ~11417=7...(17) QD2 LEU 80 + QG2 ILE 116 OK 17 99 - 17 - 9933/4717=3, 9934/4734=3...(8) QD2 LEU 64 + QG2 ILE 116 OK 15 100 - 15 - 9693/4734=4, 10478/4.0=3...(6) QD1 ILE 7 + QG2 ILE 116 OK 12 84 - 14 - 9077/10503=3...(5) QD1 LEU 80 + QG2 ILE 116 OK 11 99 - 11 - 10484/2.1=2, 10493/3.2=2...(6) QD1 LEU 82 + QG2 ILE 116 OK 10 100 - 10 - 10484/2.1=2, 10493/3.2=2...(4) QG2 VAL 32 - QG2 ILE 116 lone 2 70 - 3 - QD2 LEU 14 - QG2 ILE 116 lone 2 70 - 2 - QD1 ILE 15 - QG2 ILE 116 lone 1 73 - 2 - Peak 10492 from cnoeabs.peaks (0.87, 0.04, 18.11 ppm; 4.86 A): 2 out of 9 assignments used, quality = 0.95: QG2 VAL 107 + QG2 ILE 116 OK 77 100 - 77 - 11417/3.0=23, ~11186=16...(20) QG2 VAL 117 + QG2 ILE 116 OK 77 100 - 77 - 3.2/10503=31...(12) QD2 LEU 90 - QG2 ILE 116 poor 9 81 - 11 - 11579/10554=7...(3) QG2 VAL 104 - QG2 ILE 116 poor 8 73 - 11 - 11508/10272=2, ~10230=2...(5) HG13 ILE 57 - QG2 ILE 116 lone 6 94 - 6 - 11639/11390=2 QG1 VAL 32 - QG2 ILE 116 lone 6 100 - 6 - 10931/2.1=2 QD1 LEU 14 - QG2 ILE 116 lone 6 94 - 6 - 10485/2.1=1 QG2 VAL 22 - QG2 ILE 116 lone 6 81 - 7 - 10852/4710=2 QG2 THR 9 - QG2 ILE 116 lone 4 99 - 4 - Peak 10493 from cnoeabs.peaks (0.79, 1.58, 28.89 ppm; 4.42 A): 5 out of 7 assignments used, quality = 0.90: QD1 LEU 81 + HG12 ILE 116 OK 83 99 - 83 - 9958/3.2=41...(14) QD2 LEU 64 + HG12 ILE 116 OK 15 100 - 15 - 10478/4.5=4, 10484/2.9=4...(6) QD2 LEU 80 + HG12 ILE 116 OK 14 94 - 15 - 10484/2.9=3, 10491/3.2=3...(6) QD1 LEU 80 + HG12 ILE 116 OK 13 92 - 14 - 10484/2.9=3, 10478/4.5=2...(6) QD1 LEU 82 + HG12 ILE 116 OK 12 97 - 12 - 10484/2.9=3, 10491/3.2=2...(6) QD1 ILE 7 - HG12 ILE 116 lone 4 65 - 6 - 10491/3.2=2, 10484/2.9=1 QG1 VAL 29 - HG12 ILE 116 lone 1 77 - 1 - Peak 10497 from cnoeabs.peaks (2.35, 0.68, 13.41 ppm; 4.38 A): 3 out of 7 assignments used, quality = 0.73: HB3 PHE 120 + QD1 ILE 116 OK 40 87 - 46 - ~4710=19, ~10467=13...(5) HG3 GLU 112 + QD1 ILE 116 OK 34 70 - 49 - 1.8/11339=13, 11339=10...(12) HG2 GLU 112 + QD1 ILE 116 OK 32 65 - 49 - 1.8/11339=13, 11339=10...(12) HG2 GLN 83 - QD1 ILE 116 lone 3 61 - 5 - 11021/11417=2, ~10486=1 HB3 TYR 27 - QD1 ILE 116 lone 2 70 - 3 - ~10467=2 HG3 GLN 100 - QD1 ILE 116 lone 1 99 - 1 - HG2 GLU 13 - QD1 ILE 116 lone 1 98 - 1 - Peak 10498 from cnoeabs.peaks (2.10, 0.68, 13.41 ppm; 3.81 A): 4 out of 16 assignments used, quality = 0.81: HB2 GLU 112 + QD1 ILE 116 OK 36 84 - 43 - 3.0/11339=8, 3.0/11339=8...(13) HB VAL 107 + QD1 ILE 116 OK 35 61 - 56 - 2.1/11417=19...(12) HB3 GLU 112 + QD1 ILE 116 OK 34 81 - 43 - 3.0/11339=8, 3.0/11339=8...(12) HB3 GLU 119 + QD1 ILE 116 OK 30 70 - 44 - 3.0/11200=13...(12) HB2 GLU 111 - QD1 ILE 116 lone 9 100 - 9 - 3.0/11423=3, 10490/3.0=1 HB3 GLU 66 - QD1 ILE 116 lone 9 99 - 9 - 3.0/11066=5, 10490/3.0=1 HG3 GLU 21 - QD1 ILE 116 lone 9 97 - 9 - 11416=1, 1.8/11416=1 HG2 GLU 21 - QD1 ILE 116 lone 8 94 - 9 - 11416=1, 1.8/11416=1 HB2 GLU 21 - QD1 ILE 116 lone 4 61 - 6 - 4.1/9205=1, 3.0/11416=1 HB3 GLU 92 - QD1 ILE 116 lone 2 92 - 3 - HB2 GLU 103 - QD1 ILE 116 lone 2 92 - 3 - HB3 GLU 69 - QD1 ILE 116 lone 2 96 - 2 - HB2 GLU 87 - QD1 ILE 116 lone 2 100 - 2 - HG2 GLU 52 - QD1 ILE 116 lone 1 100 - 1 - HB3 GLU 47 - QD1 ILE 116 lone 1 84 - 1 - HB2 LEU 38 - QD1 ILE 116 lone 1 70 - 1 - Peak 10499 from cnoeabs.peaks (1.92, 0.68, 13.41 ppm; 4.28 A): 3 out of 19 assignments used, quality = 0.93: HB2 LEU 81 + QD1 ILE 116 OK 73 100 - 73 - ~9958=16, 9961/3.0=16...(14) HB2 LYS 115 + QD1 ILE 116 OK 55 94 - 59 - 4.4/6824=21...(15) HB3 LYS 115 + QD1 ILE 116 OK 45 77 - 59 - 4.4/6824=21...(15) HB3 LYS 17 - QD1 ILE 116 OK 18 100 - 18 - 10914=5, 3.0/10917=3...(8) HB3 LYS 65 - QD1 ILE 116 OK 16 81 - 20 - 3.0/10475=4, ~11193=2...(9) HB2 LYS 65 - QD1 ILE 116 OK 16 77 - 20 - 3.0/10475=4, ~11193=2...(9) HB ILE 15 - QD1 ILE 116 lone 3 99 - 3 - HG2 MET 121 - QD1 ILE 116 lone 2 100 - 2 - HB2 LYS 44 - QD1 ILE 116 lone 2 96 - 2 - HB3 LYS 123 - QD1 ILE 116 lone 2 99 - 2 - HB2 LYS 96 - QD1 ILE 116 lone 2 65 - 2 - HB3 LYS 44 - QD1 ILE 116 lone 1 84 - 2 - HB2 LYS 123 - QD1 ILE 116 lone 1 77 - 2 - HB2 LYS 43 - QD1 ILE 116 lone 1 87 - 1 - HB2 GLU 128 - QD1 ILE 116 lone 1 65 - 2 - HB3 LYS 43 - QD1 ILE 116 lone 1 65 - 1 - HB2 LEU 45 - QD1 ILE 116 lone 1 77 - 1 - HB2 LYS 39 - QD1 ILE 116 lone 1 77 - 1 - HB2 LEU 127 - QD1 ILE 116 lone 1 81 - 1 - Peak 10500 from cnoeabs.peaks (1.81, 0.68, 13.41 ppm; 3.60 A): 2 out of 9 assignments used, quality = 0.86: HG2 ARG 105 + QD1 ILE 116 OK 67 99 - 68 - 10273/3.0=19, ~10274=13...(12) HB3 ARG 105 + QD1 ILE 116 OK 58 98 - 59 - 10272/3.0=13, ~11415=10...(11) HG12 ILE 5 - QD1 ILE 116 lone 4 100 - 4 - 2.9/10939=1, 10489/3.0=1 HB2 ARG 118 - QD1 ILE 116 lone 4 90 - 4 - 10489/3.0=2, 8262/10475=1 HB ILE 18 - QD1 ILE 116 lone 3 90 - 3 - 2.9/11709=1 HB ILE 97 - QD1 ILE 116 lone 3 100 - 3 - HB ILE 3 - QD1 ILE 116 lone 2 99 - 2 - HB2 LEU 14 - QD1 ILE 116 lone 2 84 - 2 - HB ILE 57 - QD1 ILE 116 lone 1 84 - 2 - Peak 10501 from cnoeabs.peaks (3.32, 0.68, 13.41 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.69: HD3 ARG 105 + QD1 ILE 116 OK 69 73 - 95 - ~10276=33, ~10273=31...(12) HD2 ARG 30 - QD1 ILE 116 lone 4 92 - 5 - 3.6/9257=1 Peak 10502 from cnoeabs.peaks (0.62, 3.26, 67.50 ppm; 4.89 A): 5 out of 6 assignments used, quality = 0.88: QD1 ILE 18 + HA VAL 117 OK 58 96 - 61 - 10524/3.2=25...(11) QD1 ILE 5 + HA VAL 117 OK 53 100 - 53 - 10524/3.2=13...(14) HG13 ILE 15 + HA VAL 117 OK 19 77 - 24 - 2.1/11195=6, 3.9/8276=5...(9) QG1 VAL 78 + HA VAL 117 OK 16 98 - 16 - 10524/3.2=5, 10506/3.0=4...(4) QG1 VAL 22 + HA VAL 117 OK 13 70 - 19 - 4709/4720=3...(10) QD1 ILE 54 - HA VAL 117 lone 5 81 - 6 - 4709/4720=1 Peak 10503 from cnoeabs.peaks (0.04, 3.26, 67.50 ppm; 4.90 A): 1 out of 1 assignment used, quality = 0.89: QG2 ILE 116 + HA VAL 117 OK 89 99 - 89 - 738/3.0=23, 10474=22...(20) Peak 10504 from cnoeabs.peaks (1.64, 3.26, 67.50 ppm; 6.20 A): 2 out of 17 assignments used, quality = 0.98: HB ILE 116 + HA VAL 117 OK 95 99 - 96 - 2.1/10503=49, ~10525=29...(17) HB3 LEU 64 + HA VAL 117 OK 55 98 - 57 - ~10520=13, 10965/3.2=11...(15) HB ILE 5 - HA VAL 117 OK 44 90 - 50 - 3.2/10502=14, ~10524=10...(9) HG LEU 64 - HA VAL 117 OK 44 97 - 45 - ~10520=11, ~10521=9...(12) HB2 LEU 82 - HA VAL 117 OK 36 81 - 45 - 3.1/11492=26, ~11392=6...(9) HG LEU 114 - HA VAL 117 OK 32 73 - 44 - ~10507=13, ~10435=8...(9) HG LEU 63 - HA VAL 117 OK 17 77 - 22 - ~10522=5, 2.1/11195=3...(8) HD3 LYS 65 - HA VAL 117 lone 6 73 - 8 - ~10523=2, 11636/11696=2 HD2 LYS 77 - HA VAL 117 lone 5 90 - 6 - HD3 LYS 77 - HA VAL 117 lone 5 87 - 6 - HG LEU 90 - HA VAL 117 lone 4 99 - 4 - HG2 LYS 16 - HA VAL 117 lone 4 96 - 4 - HD2 LYS 65 - HA VAL 117 lone 4 61 - 6 - ~10523=2 HG3 LYS 40 - HA VAL 117 lone 3 77 - 4 - HB2 ARG 30 - HA VAL 117 lone 2 61 - 3 - HD2 LYS 49 - HA VAL 117 lone 2 65 - 3 - HD3 LYS 49 - HA VAL 117 lone 2 65 - 3 - Peak 10506 from cnoeabs.peaks (0.61, 2.05, 30.75 ppm; 4.64 A): 3 out of 6 assignments used, quality = 0.79: QD1 ILE 18 + HB VAL 117 OK 59 100 - 59 - 10524/2.1=29, ~10520=13...(10) QD1 ILE 5 + HB VAL 117 OK 42 94 - 44 - 10524/2.1=15...(13) QG1 VAL 78 + HB VAL 117 OK 14 100 - 14 - 10524/2.1=5, 10502/3.0=3...(4) QD1 ILE 5 - HB2 GLN 28 poor 3 22 - 15 - 11356/4.0=4, 11481/1.8=2...(7) QG1 VAL 78 - HB2 GLN 28 lone 1 26 - 4 - 4694/4687=2 QD1 ILE 18 - HB2 GLN 28 lone 1 26 - 3 - Peak 10507 from cnoeabs.peaks (1.40, 2.05, 30.75 ppm; 5.38 A): 2 out of 14 assignments used, quality = 0.94: HB3 LEU 114 + HB VAL 117 OK 84 100 - 84 - 3.0/8258=40, ~10518=29...(12) QB ALA 113 + HB VAL 117 OK 62 77 - 80 - ~10516=22, 2.9/6836=20...(13) HG3 LYS 106 - HB VAL 117 lone 8 97 - 9 - ~11673=2, 10288/2.1=2, ~10286=1 HB3 LEU 68 - HB VAL 117 lone 5 81 - 7 - 2.9/9761=2, 4.0/417=1 HG LEU 14 - HB VAL 117 lone 4 70 - 6 - 9197/10506=2, 11651/10506=1 HG3 LYS 16 - HB VAL 117 lone 3 100 - 3 - HB3 LEU 114 - HB2 GLN 28 lone 2 26 - 7 - ~11629=1, ~9239=1, ~11483=1 HG2 LYS 40 - HB VAL 117 lone 2 73 - 2 - HB3 LEU 68 - HB2 GLN 28 lone 1 18 - 7 - ~11074=2, ~11071=2 QB ALA 113 - HB2 GLN 28 lone 0 16 - 3 - HG LEU 14 - HB2 GLN 28 lone 0 14 - 3 - HG3 LYS 16 - HB2 GLN 28 lone 0 26 - 1 - HG3 LYS 106 - HB2 GLN 28 lone 0 24 - 1 - HG2 LYS 40 - HB2 GLN 28 lone 0 15 - 1 - Peak 10509 from cnoeabs.peaks (2.62, 0.72, 21.31 ppm; 4.75 A): 0 out of 3 assignments used, low quality = 0.35: HG3 MET 121 - QG1 VAL 117 OK 35 94 - 37 - 10591=11, 3.4/10510=9...(6) HE2 LYS 53 - QG1 VAL 117 lone 2 87 - 2 - HG3 MET 1 - QG1 VAL 117 lone 1 81 - 1 - Peak 10510 from cnoeabs.peaks (1.82, 0.72, 21.31 ppm; 3.31 A): 4 out of 11 assignments used, quality = 0.69: HB ILE 18 + QG1 VAL 117 OK 39 100 - 39 - 3.0/10517=12, ~10514=10...(9) QE MET 121 + QG1 VAL 117 OK 24 87 - 28 - 3.4/10509=13, 10601=6...(6) HG12 ILE 5 + QG1 VAL 117 OK 19 90 - 21 - ~10524=5, ~10506=4...(7) HB2 ARG 118 + QG1 VAL 117 OK 17 61 - 28 - 3.0/10519=11...(4) HB3 LYS 19 - QG1 VAL 117 poor 9 73 - 13 - 4.0/105=2, ~10520=2...(6) HB ILE 57 - QG1 VAL 117 lone 4 99 - 4 - HB2 LEU 14 - QG1 VAL 117 lone 2 99 - 2 - HB ILE 3 - QG1 VAL 117 lone 1 87 - 1 - HB3 ARG 105 - QG1 VAL 117 lone 1 100 - 1 - HB ILE 97 - QG1 VAL 117 lone 1 92 - 1 - HG2 ARG 105 - QG1 VAL 117 lone 1 84 - 1 - Peak 10511 from cnoeabs.peaks (1.64, 0.72, 21.31 ppm; 4.77 A): 4 out of 17 assignments used, quality = 0.96: HB ILE 116 + QG1 VAL 117 OK 75 99 - 76 - 2.1/10526=22, ~10525=21...(12) HB3 LEU 64 + QG1 VAL 117 OK 53 98 - 54 - 10965=12, ~10520=11...(13) HG LEU 64 + QG1 VAL 117 OK 40 97 - 42 - 3.0/10965=9, ~10520=8...(10) HB ILE 5 + QG1 VAL 117 OK 36 90 - 40 - ~10524=8, ~10506=7...(10) HG LEU 114 - QG1 VAL 117 OK 33 73 - 45 - 3.7/10518=31, ~10507=9...(6) HB2 LEU 82 - QG1 VAL 117 OK 20 81 - 25 - ~11492=13, ~11392=4...(5) HG LEU 63 - QG1 VAL 117 OK 15 77 - 20 - ~10522=4, 11254/2.1=3...(7) HD3 LYS 65 - QG1 VAL 117 lone 5 73 - 7 - 6.1/7905=4, ~10523=1 HD2 LYS 65 - QG1 VAL 117 lone 4 61 - 7 - 6.1/7905=4, ~10523=1 HD2 LYS 77 - QG1 VAL 117 lone 3 90 - 3 - HG LEU 90 - QG1 VAL 117 lone 3 99 - 3 - HD3 LYS 77 - QG1 VAL 117 lone 3 87 - 3 - HG2 LYS 16 - QG1 VAL 117 lone 2 96 - 2 - HB2 ARG 30 - QG1 VAL 117 lone 2 61 - 3 - HG3 LYS 40 - QG1 VAL 117 lone 2 77 - 2 - HD2 LYS 49 - QG1 VAL 117 lone 1 65 - 2 - HD3 LYS 49 - QG1 VAL 117 lone 1 65 - 2 - Peak 10514 from cnoeabs.peaks (3.38, 0.86, 23.99 ppm; 4.71 A): 1 out of 1 assignment used, quality = 0.58: HA ILE 18 + QG2 VAL 117 OK 58 97 - 60 - 10517/2.1=22...(9) Peak 10515 from cnoeabs.peaks (3.71, 0.86, 23.99 ppm; 3.75 A): 2 out of 3 assignments used, quality = 0.78: HA LEU 114 + QG2 VAL 117 OK 76 100 - 76 - 8258/2.1=29...(12) HA LYS 61 + QG2 VAL 117 OK 10 90 - 12 - 8258/2.1=3, 8097/10520=2...(5) HA2 GLY 101 - QG2 VAL 117 lone 2 90 - 2 - Peak 10516 from cnoeabs.peaks (3.81, 0.86, 23.99 ppm; 4.62 A): 2 out of 3 assignments used, quality = 0.70: HA ALA 113 + QG2 VAL 117 OK 59 77 - 77 - 2.1/10522=26...(12) HA LYS 115 + QG2 VAL 117 OK 26 77 - 33 - 8261/4.3=12...(5) HA2 GLY 26 - QG2 VAL 117 lone 3 100 - 3 - 3.0/7904=1 Peak 10517 from cnoeabs.peaks (3.37, 0.72, 21.31 ppm; 5.23 A): 1 out of 1 assignment used, quality = 0.54: HA ILE 18 + QG1 VAL 117 OK 54 98 - 56 - 10514/2.1=30...(8) Peak 10518 from cnoeabs.peaks (3.70, 0.72, 21.31 ppm; 4.43 A): 1 out of 1 assignment used, quality = 0.69: HA LEU 114 + QG1 VAL 117 OK 69 90 - 77 - 10515/2.1=33...(11) Peak 10519 from cnoeabs.peaks (3.89, 0.72, 21.31 ppm; 4.65 A): 2 out of 3 assignments used, quality = 0.87: HA ARG 118 + QG1 VAL 117 OK 81 100 - 81 - 2.9/7905=24, 10541=23...(11) HA LEU 64 + QG1 VAL 117 OK 31 70 - 45 - 3.0/10965=8, ~10520=8...(10) HA GLU 128 - QG1 VAL 117 lone 1 65 - 1 - Peak 10520 from cnoeabs.peaks (1.78, 0.86, 23.99 ppm; 3.94 A): 3 out of 7 assignments used, quality = 0.68: HG12 ILE 18 + QG2 VAL 117 OK 45 81 - 55 - 2.1/10524=25...(8) HB2 LEU 64 + QG2 VAL 117 OK 34 92 - 37 - 1.8/10521=11...(11) HB2 LYS 19 + QG2 VAL 117 OK 13 94 - 14 - 3.0/9198=4, ~10510=2...(7) HB VAL 32 - QG2 VAL 117 lone 4 100 - 4 - 9075/11584=1 HB3 GLN 28 - QG2 VAL 117 lone 4 99 - 4 - 3.0/9240=1 HB2 LEU 55 - QG2 VAL 117 lone 3 65 - 5 - 1.8/9503=2 HB2 LEU 90 - QG2 VAL 117 lone 2 100 - 2 - Peak 10521 from cnoeabs.peaks (1.62, 0.86, 23.99 ppm; 3.84 A): 4 out of 9 assignments used, quality = 0.76: HB ILE 116 + QG2 VAL 117 OK 49 87 - 56 - 2.1/10525=15...(13) HB3 LEU 64 + QG2 VAL 117 OK 33 90 - 37 - 1.8/10520=12...(12) HB2 LEU 82 + QG2 VAL 117 OK 16 100 - 16 - ~11492=8, 9967=3...(4) HG LEU 63 + QG2 VAL 117 OK 15 100 - 15 - 3.0/10522=4, 11254=4...(6) HD3 LYS 77 - QG2 VAL 117 lone 2 99 - 2 - HD2 LYS 77 - QG2 VAL 117 lone 2 98 - 2 - HG2 LYS 16 - QG2 VAL 117 lone 1 94 - 2 - HG3 LYS 40 - QG2 VAL 117 lone 1 100 - 1 - HB3 LEU 127 - QG2 VAL 117 lone 1 99 - 1 - Peak 10522 from cnoeabs.peaks (1.42, 0.86, 23.99 ppm; 3.93 A): 2 out of 11 assignments used, quality = 0.71: QB ALA 113 + QG2 VAL 117 OK 65 90 - 73 - 2.1/10516=18...(16) HB3 LEU 63 + QG2 VAL 117 OK 15 99 - 16 - 3.0/10521=4, 4.0/9671=2...(6) HB3 GLN 83 - QG2 VAL 117 lone 9 100 - 9 - 10006=1, ~10011=1, 1.8/10008=1 HB3 LYS 61 - QG2 VAL 117 lone 5 90 - 6 - 3.0/10515=4, ~8258=2 HG3 LYS 106 - QG2 VAL 117 lone 4 61 - 7 - ~11673=1 HG3 LYS 17 - QG2 VAL 117 lone 4 96 - 4 - 3.0/10523=1 HB2 LEU 4 - QG2 VAL 117 lone 2 73 - 3 - HB3 LEU 4 - QG2 VAL 117 lone 2 73 - 3 - HG12 ILE 56 - QG2 VAL 117 lone 2 98 - 2 - HG3 LYS 44 - QG2 VAL 117 lone 0 70 - 1 - HG2 LYS 96 - QG2 VAL 117 lone 0 61 - 1 - Peak 10523 from cnoeabs.peaks (1.93, 0.86, 23.99 ppm; 4.51 A): 7 out of 16 assignments used, quality = 0.82: HG2 MET 121 + QG2 VAL 117 OK 42 92 - 45 - ~10509=23, ~10591=6...(10) HB2 LEU 81 + QG2 VAL 117 OK 27 96 - 28 - ~11696=11, 3.0/11639=5...(7) HB2 LYS 115 + QG2 VAL 117 OK 23 100 - 23 - 3.0/10516=9, 4.0/10451=9...(6) HB3 LYS 115 + QG2 VAL 117 OK 21 97 - 22 - 3.0/10516=9, 4.0/10451=9...(4) HB ILE 15 + QG2 VAL 117 OK 11 87 - 13 - ~8276=2, ~11195=2...(6) HB3 LYS 65 + QG2 VAL 117 OK 10 98 - 11 - 4.0/7904=6 HB2 LYS 65 + QG2 VAL 117 OK 10 97 - 11 - 4.0/7904=6 HB3 LYS 17 - QG2 VAL 117 lone 7 99 - 8 - 4.6/9185=2, 3.0/10522=1 HB2 LYS 123 - QG2 VAL 117 lone 3 97 - 3 - 11057/10530=2 HB2 LYS 39 - QG2 VAL 117 lone 2 97 - 2 - HB3 LYS 123 - QG2 VAL 117 lone 2 84 - 2 - HB3 LYS 40 - QG2 VAL 117 lone 1 65 - 2 - HB2 LEU 127 - QG2 VAL 117 lone 1 98 - 1 - HB2 LYS 44 - QG2 VAL 117 lone 1 73 - 1 - HB VAL 104 - QG2 VAL 117 lone 1 61 - 1 - HB2 LEU 70 - QG2 VAL 117 lone 1 77 - 1 - Peak 10524 from cnoeabs.peaks (0.61, 0.86, 23.99 ppm; 3.20 A): 2 out of 3 assignments used, quality = 0.51: QD1 ILE 18 + QG2 VAL 117 OK 38 100 - 39 - 4.2/10514=11...(7) QD1 ILE 5 + QG2 VAL 117 OK 20 94 - 21 - 10506/2.1=6, 10502/3.2=4...(8) QG1 VAL 78 - QG2 VAL 117 lone 7 100 - 7 - 10506/2.1=2...(3) Peak 10525 from cnoeabs.peaks (0.03, 0.86, 23.99 ppm; 5.75 A): 1 out of 1 assignment used, quality = 0.51: QG2 ILE 116 + QG2 VAL 117 OK 51 70 - 74 - 10503/3.2=28...(11) Peak 10526 from cnoeabs.peaks (0.06, 0.72, 21.31 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.49: QG2 ILE 116 + QG1 VAL 117 OK 49 65 - 75 - 4.3/6846=26...(10) Peak 10528 from cnoeabs.peaks (6.79, 3.26, 67.50 ppm; 4.21 A): 1 out of 2 assignments used, quality = 0.94: QD PHE 120 + HA VAL 117 OK 94 100 - 94 - 4720=50, 2.4/8276=38...(16) QD TYR 27 - HA VAL 117 OK 31 100 - 31 - ~4589=8, 10531/3.2=8...(7) Peak 10529 from cnoeabs.peaks (7.14, 3.26, 67.50 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.95: QE PHE 120 + HA VAL 117 OK 94 97 - 97 - 2.2/4720=50, 4.4/8276=41...(14) QE PHE 93 + HA VAL 117 OK 14 96 - 15 - 9981/11492=7, 9949/11696=5 Peak 10530 from cnoeabs.peaks (6.79, 0.86, 23.99 ppm; 5.30 A): 2 out of 2 assignments used, quality = 0.96: QD PHE 120 + QG2 VAL 117 OK 93 100 - 93 - 4720/3.2=46...(18) QD TYR 27 + QG2 VAL 117 OK 49 100 - 49 - ~4589=16, 10531/2.1=15...(10) Peak 10531 from cnoeabs.peaks (6.78, 0.72, 21.31 ppm; 4.87 A): 2 out of 2 assignments used, quality = 0.94: QD PHE 120 + QG1 VAL 117 OK 89 99 - 90 - 4720/3.2=41, ~8276=22...(14) QD TYR 27 + QG1 VAL 117 OK 48 100 - 48 - ~4589=14, 10530/2.1=11...(9) Peak 10534 from cnoeabs.peaks (7.66, 3.15, 43.76 ppm; 4.55 A): 1 out of 1 assignment used, quality = 0.98: HE ARG 118 + HD2 ARG 118 OK 98 98 - 100 - 2.9=100 Peak 10535 from cnoeabs.peaks (6.82, 3.15, 43.76 ppm; 4.53 A): 0 out of 1 assignment used, low quality = 0.41: HE22 GLN 122 - HD2 ARG 118 OK 41 87 - 47 - 11170/2.9=29, 10537/1.8=25 Peak 10536 from cnoeabs.peaks (7.65, 2.97, 43.76 ppm; 5.19 A): 1 out of 1 assignment used, quality = 0.77: HE ARG 118 + HD3 ARG 118 OK 77 77 - 100 - 2.9=100 Peak 10537 from cnoeabs.peaks (6.83, 2.97, 43.76 ppm; 4.73 A): 1 out of 1 assignment used, quality = 0.48: HE22 GLN 122 + HD3 ARG 118 OK 48 100 - 48 - 10535/1.8=29, 11170/2.9=27 Peak 10539 from cnoeabs.peaks (3.79, 3.15, 43.76 ppm; 4.52 A): 3 out of 5 assignments used, quality = 0.85: HA LYS 115 + HD2 ARG 118 OK 64 94 - 68 - 8264/3.7=24, 11598=18...(10) HA LYS 65 + HD2 ARG 118 OK 54 100 - 54 - 10540/1.8=10...(11) HA ALA 113 + HD2 ARG 118 OK 11 94 - 12 - 11024/3.0=3, 8263/3.7=3...(5) HA LEU 68 - HD2 ARG 118 lone 3 87 - 3 - HB2 SER 58 - HD2 ARG 118 lone 1 90 - 1 - Peak 10540 from cnoeabs.peaks (3.80, 2.97, 43.76 ppm; 4.33 A): 3 out of 4 assignments used, quality = 0.83: HA LYS 115 + HD3 ARG 118 OK 65 99 - 65 - 8264/3.7=24...(10) HA LYS 65 + HD3 ARG 118 OK 45 92 - 49 - 10539/1.8=10, 3.0/6899=9...(12) HA ALA 113 + HD3 ARG 118 OK 11 99 - 11 - 8263/3.7=3, 8265/3.7=3...(5) HA2 GLY 26 - HD3 ARG 118 lone 2 90 - 2 - Peak 10541 from cnoeabs.peaks (0.72, 3.89, 60.17 ppm; 4.84 A): 5 out of 12 assignments used, quality = 0.91: QG1 VAL 117 + HA ARG 118 OK 85 100 - 86 - 10519=36, 7905/2.9=25...(11) QD1 ILE 57 + HA ARG 118 OK 12 70 - 17 - 2.1/10542=5, 3.2/11516=4...(7) HG13 ILE 18 + HA ARG 118 OK 12 99 - 12 - 2.9/11516=4...(4) QG2 ILE 18 + HA ARG 118 OK 10 98 - 11 - 2.1/11516=5...(4) QD2 LEU 81 + HA ARG 118 OK 10 65 - 15 - 10544/3.6=5, ~11602=4...(4) QD2 LEU 63 - HA ARG 118 lone 7 77 - 8 - 4737/5.8=2, 10544/3.6=2...(4) QD2 LEU 45 - HA ARG 118 lone 5 100 - 5 - 3.1/6856=1 QD1 LEU 63 - HA ARG 118 lone 5 70 - 7 - 4744/5.8=2, ~746=1, ~1774=1 QD2 LEU 6 - HA ARG 118 lone 4 90 - 5 - 10589/2226=1 QD2 LEU 55 - HA ARG 118 lone 4 87 - 4 - QD1 LEU 6 - HA ARG 118 lone 4 94 - 4 - QG2 VAL 78 - HA ARG 118 lone 3 100 - 3 - Peak 10542 from cnoeabs.peaks (0.86, 3.89, 60.17 ppm; 4.48 A): 2 out of 10 assignments used, quality = 0.71: QG2 VAL 117 + HA ARG 118 OK 67 100 - 67 - 2.1/10519=25, 745/2.9=20...(7) HG13 ILE 57 + HA ARG 118 OK 12 99 - 12 - 2.9/11516=4, 2.1/10541=2...(4) QD1 LEU 14 - HA ARG 118 lone 8 99 - 8 - 3.1/11516=3, 3.1/6856=2 QG2 VAL 22 - HA ARG 118 lone 7 94 - 7 - 10849/2.9=2, ~10848=1 QG2 THR 9 - HA ARG 118 lone 6 100 - 5 - 10975/3.0=1, 9116/3.9=1 QG2 VAL 107 - HA ARG 118 lone 5 99 - 5 - 11460/3.0=2, 745/2.9=2 HG13 ILE 5 - HA ARG 118 lone 3 70 - 4 - QG2 ILE 15 - HA ARG 118 lone 2 73 - 3 - QG1 VAL 32 - HA ARG 118 lone 2 99 - 2 - QD2 LEU 90 - HA ARG 118 lone 2 61 - 3 - Peak 10548 from cnoeabs.peaks (3.46, 2.46, 36.01 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.92: HA ILE 116 + HG3 GLU 119 OK 92 99 - 93 - 10549/1.8=43, 10481=42...(9) Peak 10549 from cnoeabs.peaks (3.45, 2.08, 36.01 ppm; 5.00 A): 1 out of 1 assignment used, quality = 0.60: HA ILE 116 + HG2 GLU 119 OK 60 81 - 75 - 2216/5.3=23...(10) Peak 10555 from cnoeabs.peaks (2.08, 4.02, 56.87 ppm; 5.38 A): 3 out of 14 assignments used, quality = 0.95: HG2 GLU 119 + HA PHE 120 OK 83 99 - 83 - 7916/3.0=28, ~7917=20...(13) HB3 MET 121 + HA PHE 120 OK 51 100 - 51 - 1796/3.6=22, 759/3.0=11...(6) HB3 PHE 79 + HA PHE 120 OK 44 99 - 45 - ~4640=21, 11693/3.7=18...(7) HB2 LYS 94 - HA PHE 120 OK 21 92 - 23 - 1.8/10556=6, 3.6/10557=6...(7) HB3 GLU 66 - HA PHE 120 OK 16 84 - 19 - 4.1/8296=6, 3.0/4908=2...(7) HB2 GLU 103 - HA PHE 120 OK 10 97 - 10 - 10572/3.7=4, 4712/7.2=3...(4) HB2 GLU 112 - HA PHE 120 lone 9 99 - 9 - 759/3.0=2, 1796/3.6=1, ~759=1 HB3 GLU 112 - HA PHE 120 lone 9 100 - 9 - 759/3.0=2, 1796/3.6=1, ~759=1 HB3 GLU 91 - HA PHE 120 lone 6 90 - 7 - 1796/3.6=1, 759/3.0=1 HB3 GLU 69 - HA PHE 120 lone 6 94 - 6 - 4.0/2107=1 HB2 GLU 13 - HA PHE 120 lone 5 73 - 7 - 4702/3.7=1 HB2 GLU 87 - HA PHE 120 lone 4 81 - 5 - HB2 GLN 28 - HA PHE 120 lone 2 65 - 3 - HB2 GLU 111 - HA PHE 120 lone 1 61 - 2 - Peak 10556 from cnoeabs.peaks (1.72, 4.02, 56.87 ppm; 4.94 A): 3 out of 11 assignments used, quality = 0.66: HG12 ILE 15 + HA PHE 120 OK 45 99 - 45 - 2.9/8299=10, ~2714=8...(10) HB3 LEU 90 + HA PHE 120 OK 30 100 - 30 - ~11579=17, 8168=5...(6) HB3 LYS 94 + HA PHE 120 OK 13 84 - 16 - 3.6/10557=5, 3.6/10557=5...(5) HB2 LEU 114 - HA PHE 120 lone 2 84 - 3 - HB3 LEU 82 - HA PHE 120 lone 2 81 - 2 - HD2 LYS 39 - HA PHE 120 lone 2 70 - 3 - HD3 LYS 39 - HA PHE 120 lone 2 65 - 3 - HB2 LYS 106 - HA PHE 120 lone 2 98 - 2 - HB3 LYS 106 - HA PHE 120 lone 2 96 - 2 - HG2 ARG 118 - HA PHE 120 lone 1 97 - 1 - HG LEU 74 - HA PHE 120 lone 1 61 - 2 - Peak 10557 from cnoeabs.peaks (1.53, 4.02, 56.87 ppm; 5.72 A): 0 out of 10 assignments used, low quality = 0.19: HD2 LYS 94 - HA PHE 120 OK 10 98 - 10 - 3.6/10556=5, 3.6/10555=3 HD3 LYS 94 - HA PHE 120 OK 10 98 - 10 - 3.6/10556=5, 3.6/10555=3 HG LEU 6 - HA PHE 120 poor 10 90 - 11 - ~10552=3, ~10565=3...(5) HG2 LYS 43 - HA PHE 120 lone 5 65 - 7 - 3.0/8299=2, 4.9/2055=2 HG2 LYS 65 - HA PHE 120 lone 5 65 - 7 - 2.9/8297=2, 2.9/8297=2 HD3 LYS 17 - HA PHE 120 lone 5 81 - 6 - 6.3/1989=1, 3.7/8297=1 HG LEU 38 - HA PHE 120 lone 3 92 - 3 - HB2 LYS 61 - HA PHE 120 lone 3 81 - 3 - 9659/5.6=1 QB ALA 46 - HA PHE 120 lone 1 61 - 2 - HB3 ARG 30 - HA PHE 120 lone 1 70 - 2 - Peak 10558 from cnoeabs.peaks (0.63, 4.02, 56.87 ppm; 5.98 A): 4 out of 7 assignments used, quality = 0.98: QD1 ILE 5 + HA PHE 120 OK 78 99 - 78 - 11352/3.0=20, ~11658=18...(12) HG13 ILE 15 + HA PHE 120 OK 65 96 - 68 - 1.8/10556=22...(12) QG1 VAL 22 + HA PHE 120 OK 62 92 - 68 - ~10870=29, 10868/3.0=14...(11) QD1 ILE 18 + HA PHE 120 OK 48 77 - 62 - 11352/3.0=12...(11) QD1 ILE 54 - HA PHE 120 OK 16 97 - 16 - 10590/3.6=3, 11352/3.0=3...(6) QG1 VAL 78 - HA PHE 120 OK 12 84 - 14 - 10590/3.6=3, 10553/3.0=2...(5) QD1 LEU 4 - HA PHE 120 lone 4 81 - 5 - Peak 10562 from cnoeabs.peaks (0.84, 3.22, 36.75 ppm; 5.04 A): 4 out of 7 assignments used, quality = 0.99: QG2 ILE 5 + HB2 PHE 120 OK 81 99 - 82 - 9048/4.4=17...(18) HG13 ILE 5 + HB2 PHE 120 OK 76 94 - 80 - 1.8/11658=18, ~11352=14...(17) QG2 ILE 15 + HB2 PHE 120 OK 59 92 - 64 - 3.0/2714=12...(16) QG2 VAL 22 + HB2 PHE 120 OK 47 70 - 68 - 10870/1.8=23...(13) QG2 ILE 57 - HB2 PHE 120 OK 25 100 - 25 - 11687=7, 3.0/9559=7...(8) QD2 LEU 82 - HB2 PHE 120 OK 16 87 - 18 - 11492/8276=6, 9981/4.4=5...(4) QD2 LEU 74 - HB2 PHE 120 lone 1 65 - 2 - Peak 10563 from cnoeabs.peaks (0.64, 3.22, 36.75 ppm; 5.08 A): 4 out of 6 assignments used, quality = 0.95: QG1 VAL 22 + HB2 PHE 120 OK 69 100 - 69 - ~10870=29, 10868/1.8=15...(14) HG13 ILE 15 + HB2 PHE 120 OK 59 99 - 60 - 2.1/2714=14, ~10556=12...(16) QD1 ILE 5 + HB2 PHE 120 OK 52 70 - 75 - 2.1/11658=18...(16) QD1 ILE 54 + HB2 PHE 120 OK 10 98 - 10 - 4709/2.4=2, 11352/1.8=2...(5) QD1 LEU 4 - HB2 PHE 120 lone 3 100 - 3 - QD1 ILE 71 - HB2 PHE 120 lone 1 84 - 1 - Peak 10564 from cnoeabs.peaks (0.85, 2.34, 36.75 ppm; 4.26 A): 5 out of 9 assignments used, quality = 0.99: HG13 ILE 5 + HB3 PHE 120 OK 70 100 - 70 - 2.1/11352=15...(18) QG2 ILE 5 + HB3 PHE 120 OK 70 99 - 71 - 3.0/11352=13...(19) QG2 VAL 22 + HB3 PHE 120 OK 62 96 - 65 - 10870=37, 10852/2.4=8...(13) QG2 ILE 15 + HB3 PHE 120 OK 51 100 - 51 - 4707/2.4=7, ~2714=6...(16) QG2 VAL 117 + HB3 PHE 120 OK 49 61 - 79 - 3.2/8279=28, ~8276=21...(13) QG2 ILE 57 - HB3 PHE 120 OK 14 98 - 15 - 11687/1.8=4, ~9559=4...(5) HG13 ILE 57 - HB3 PHE 120 OK 12 84 - 14 - ~9559=4, ~11687=3...(5) QD1 LEU 14 - HB3 PHE 120 lone 6 84 - 7 - 11652/11352=2 QG2 THR 9 - HB3 PHE 120 lone 3 70 - 5 - 11097/1.8=2 Peak 10565 from cnoeabs.peaks (0.72, 2.34, 36.75 ppm; 6.20 A): 4 out of 12 assignments used, quality = 1.00: QG1 VAL 117 + HB3 PHE 120 OK 96 100 - 96 - 3.2/8279=47, ~8276=38...(10) HG13 ILE 18 + HB3 PHE 120 OK 75 99 - 76 - ~7985=16, ~9190=13...(16) QG2 ILE 18 + HB3 PHE 120 OK 72 98 - 74 - 9190/1.8=19, ~7985=17...(16) QD1 LEU 6 + HB3 PHE 120 OK 48 94 - 51 - 9068/5.8=22, 9069/4.4=21...(9) QD2 LEU 55 - HB3 PHE 120 OK 42 87 - 49 - 9522/2.4=12, ~9523=10...(9) QD2 LEU 81 - HB3 PHE 120 OK 32 65 - 49 - ~11295=24, 9949/4.4=11...(6) QD2 LEU 6 - HB3 PHE 120 OK 20 90 - 23 - ~10557=6, 10589/4.6=5...(8) QD1 ILE 57 - HB3 PHE 120 OK 19 70 - 27 - ~11687=8, 9559/1.8=6...(9) QG2 VAL 78 - HB3 PHE 120 OK 17 100 - 17 - 4648/4640=5, ~10570=2...(7) QD2 LEU 45 - HB3 PHE 120 OK 13 100 - 13 - 9448/4.4=4, 9450/4640=3...(4) QD1 LEU 63 - HB3 PHE 120 lone 5 70 - 8 - 10589/4.6=2 QD2 LEU 63 - HB3 PHE 120 lone 5 77 - 6 - Peak 10566 from cnoeabs.peaks (0.63, 2.34, 36.75 ppm; 4.80 A): 4 out of 7 assignments used, quality = 0.99: QD1 ILE 5 + HB3 PHE 120 OK 81 99 - 82 - 11352=21, 4709/2.4=15...(18) QG1 VAL 22 + HB3 PHE 120 OK 64 92 - 69 - 2.1/10870=35...(12) HG13 ILE 15 + HB3 PHE 120 OK 56 96 - 59 - ~10556=10, ~2714=10...(17) QD1 ILE 18 + HB3 PHE 120 OK 50 77 - 65 - 11352=12, 4709/2.4=10...(15) QD1 ILE 54 - HB3 PHE 120 OK 15 97 - 16 - 11352=3, 4709/2.4=2...(8) QG1 VAL 78 - HB3 PHE 120 OK 11 84 - 13 - 9878/4640=3, 4709/2.4=2...(5) QD1 LEU 4 - HB3 PHE 120 lone 3 81 - 4 - Peak 10568 from cnoeabs.peaks (0.83, 6.79, 129.60 ppm; 4.12 A): 6 out of 9 assignments used, quality = 0.94: QG2 ILE 5 + QD PHE 120 OK 67 95 - 71 - 9048/2.2=16, 9049=13...(20) HG13 ILE 5 + QD PHE 120 OK 57 83 - 69 - 2.1/4709=13, ~11357=10...(19) QG2 ILE 15 + QD PHE 120 OK 34 80 - 43 - 9049=7, 9048/2.2=7...(13) QD2 LEU 82 + QD PHE 120 OK 19 95 - 20 - 9981/2.2=7, 11492/4720=5...(5) QD1 LEU 64 + QD PHE 120 OK 15 60 - 25 - ~9693=9, 3.1/4706=6...(5) QG2 ILE 57 + QD PHE 120 OK 12 96 - 13 - 11687/2.4=4, ~9559=3...(4) QG2 ILE 71 - QD PHE 120 lone 1 72 - 2 - QD2 LEU 74 - QD PHE 120 lone 1 80 - 1 - QD1 LEU 74 - QD PHE 120 lone 1 72 - 1 - Peak 10569 from cnoeabs.peaks (0.73, 6.79, 129.60 ppm; 5.43 A): 4 out of 11 assignments used, quality = 0.98: QG1 VAL 117 + QD PHE 120 OK 82 86 - 95 - 3.2/4720=47, ~8276=28...(14) HG13 ILE 18 + QD PHE 120 OK 66 99 - 66 - 1.8/4705=12, 2.1/4709=12...(16) QD2 LEU 55 + QD PHE 120 OK 52 99 - 53 - 9522=12, 2.1/9523=12...(12) QG2 ILE 18 + QD PHE 120 OK 46 76 - 61 - ~7985=13, 2.9/4709=11...(14) QG2 ILE 7 - QD PHE 120 OK 45 89 - 51 - 3.3/9083=26, ~9084=16...(8) QD2 LEU 6 - QD PHE 120 OK 32 100 - 32 - ~9069=19, 10589/4.6=5...(7) QD1 LEU 6 - QD PHE 120 OK 21 64 - 33 - 9069/2.2=15, 9068/3.8=14...(5) QG2 ILE 54 - QD PHE 120 OK 20 83 - 24 - 4.4/9508=8, 4.0/9480=4...(9) QG2 VAL 78 - QD PHE 120 lone 10 95 - 10 - 2.1/10570=3, 10589/4.6=2...(4) QD2 LEU 45 - QD PHE 120 lone 9 95 - 10 - 9448/2.2=4, 10589/4.6=1, ~4731=1 QD1 LEU 63 - QD PHE 120 lone 8 95 - 8 - 10589/4.6=2, 2.1/4706=1 Peak 10570 from cnoeabs.peaks (0.62, 6.79, 129.60 ppm; 5.13 A): 2 out of 6 assignments used, quality = 0.95: QD1 ILE 5 + QD PHE 120 OK 84 98 - 86 - 11357/2.2=20...(19) QD1 ILE 18 + QD PHE 120 OK 69 97 - 71 - 9192/2.4=13, 2.1/4705=11...(17) QG1 VAL 22 - QD PHE 120 OK 39 60 - 64 - ~10870=25, 2.1/10852=13...(13) HG13 ILE 15 - QD PHE 120 OK 34 68 - 49 - ~2714=10, 3.2/4707=7...(13) QG1 VAL 78 - QD PHE 120 OK 17 99 - 17 - 11581/9083=4...(7) QD1 ILE 54 - QD PHE 120 OK 14 72 - 19 - 4.8/9480=3, 11352/2.4=2...(9) Peak 10571 from cnoeabs.peaks (0.04, 6.79, 129.60 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.96: QG2 ILE 116 + QD PHE 120 OK 96 99 - 97 - 4734/2.2=50, 10467=43...(15) Peak 10572 from cnoeabs.peaks (2.09, 6.79, 129.60 ppm; 6.20 A): 7 out of 15 assignments used, quality = 0.92: HB2 GLU 103 + QD PHE 120 OK 59 97 - 61 - 1.8/10213=35, ~10207=17...(4) HB3 PHE 79 + QD PHE 120 OK 42 64 - 65 - ~4723=35, ~4640=29...(9) HB3 MET 121 + QD PHE 120 OK 30 72 - 41 - 1796/4.6=16...(6) HG2 GLU 119 + QD PHE 120 OK 26 68 - 38 - 7916/4.5=18, 6926/3.7=8...(5) HB3 GLU 66 + QD PHE 120 OK 22 100 - 22 - 1.8/11059=7, 4712/3.8=3...(9) HB2 GLU 112 + QD PHE 120 OK 12 93 - 12 - 10490/4710=3, 4712/3.8=3 HB3 GLU 112 + QD PHE 120 OK 11 91 - 12 - 10490/4710=3, 4712/3.8=2...(4) HB3 GLU 92 - QD PHE 120 poor 10 80 - 12 - 4712/3.8=3, ~4729=2...(4) HB2 GLU 87 - QD PHE 120 lone 6 100 - 6 - 4712/3.8=1 HB2 GLU 111 - QD PHE 120 lone 5 97 - 5 - 4712/3.8=2, 10490/4710=1 HB3 GLU 69 - QD PHE 120 lone 5 99 - 5 - HG3 GLU 21 - QD PHE 120 lone 5 89 - 5 - 10867/10850=2, 4712/3.8=1 HG2 GLU 21 - QD PHE 120 lone 4 83 - 5 - 10867/10850=2, 4712/3.8=1 HG2 GLU 52 - QD PHE 120 lone 4 96 - 4 - HB3 GLU 47 - QD PHE 120 lone 2 68 - 3 - Peak 10575 from cnoeabs.peaks (6.57, 2.63, 31.22 ppm; 6.08 A): 1 out of 1 assignment used, quality = 0.52: QE TYR 27 + HG3 MET 121 OK 52 73 - 70 - 10576/3.0=35, ~10581=20...(9) Peak 10576 from cnoeabs.peaks (6.57, 2.08, 33.64 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.48: QE TYR 27 + HB3 MET 121 OK 48 87 - 55 - 10575/3.0=37...(4) Peak 10577 from cnoeabs.peaks (6.60, 1.92, 31.22 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.58: QE TYR 27 + HG2 MET 121 OK 58 77 - 76 - 10582/3.4=44, ~10581=21...(7) Peak 10579 from cnoeabs.peaks (7.56, 1.83, 16.54 ppm; 4.28 A): 1 out of 1 assignment used, quality = 0.74: * HE21 GLN 25 + QE MET 121 OK 74 97 - 76 - 1.7/10580=34, 11011=29...(5) Peak 10580 from cnoeabs.peaks (6.87, 1.83, 16.54 ppm; 4.52 A): 1 out of 5 assignments used, quality = 0.81: * HE22 GLN 25 + QE MET 121 OK 81 99 - 82 - 1.7/10579=42, 11012=36...(5) QD TYR 76 - QE MET 121 lone 2 77 - 2 - H TYR 102 - QE MET 121 lone 1 61 - 2 - 4.7/7020=1 HD22 ASN 50 - QE MET 121 lone 1 97 - 1 - HE22 GLN 62 - QE MET 121 lone 1 61 - 1 - Peak 10581 from cnoeabs.peaks (6.78, 1.83, 16.54 ppm; 4.86 A): 2 out of 2 assignments used, quality = 0.79: QD TYR 27 + QE MET 121 OK 67 87 - 77 - 2.2/10582=38, ~10575=16...(14) QD PHE 120 + QE MET 121 OK 36 81 - 45 - 4.6/7020=25, 3.7/11470=6...(9) Peak 10582 from cnoeabs.peaks (6.60, 1.83, 16.54 ppm; 4.81 A): 0 out of 1 assignment used, low quality = 0.44: QE TYR 27 - QE MET 121 OK 44 77 - 57 - 2.2/10581=24...(9) Peak 10584 from cnoeabs.peaks (3.87, 1.83, 16.54 ppm; 3.58 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10585 from cnoeabs.peaks (3.98, 1.83, 16.54 ppm; 5.09 A): 0 out of 6 assignments used, low quality = 0.24: HA LEU 14 - QE MET 121 OK 24 100 - 24 - 3.0/1090=6, 7979/3.4=5...(6) HA LYS 17 - QE MET 121 lone 5 94 - 6 - 3.6/1124=3 HA GLU 112 - QE MET 121 lone 4 81 - 4 - 3.0/7023=1, 3.0/7023=1 HA GLU 111 - QE MET 121 lone 2 99 - 2 - HB2 SER 99 - QE MET 121 lone 1 84 - 1 - HB3 SER 99 - QE MET 121 lone 1 84 - 1 - Peak 10586 from cnoeabs.peaks (4.12, 1.83, 16.54 ppm; 3.85 A): 4 out of 8 assignments used, quality = 0.58: HA VAL 22 + QE MET 121 OK 28 81 - 34 - 3.2/10602=15, 10861=5...(8) HA GLN 122 + QE MET 121 OK 23 70 - 33 - 3.0/7929=18, 3.9/10597=5...(5) HB3 SER 72 + QE MET 121 OK 13 99 - 13 - 1.8/10861=2...(6) HB2 SER 72 + QE MET 121 OK 13 99 - 13 - 1.8/10861=2...(6) HA LEU 63 - QE MET 121 lone 1 73 - 2 - HA3 GLY 26 - QE MET 121 lone 1 96 - 1 - HA GLN 62 - QE MET 121 lone 1 84 - 1 - HA MET 1 - QE MET 121 lone 1 100 - 1 - Peak 10591 from cnoeabs.peaks (0.72, 2.63, 31.22 ppm; 4.90 A): 6 out of 12 assignments used, quality = 0.94: QG1 VAL 117 + HG3 MET 121 OK 60 100 - 60 - 10509=42, 10510/3.4=9...(6) HG13 ILE 18 + HG3 MET 121 OK 51 99 - 52 - 2.1/10592=22, ~10594=11...(10) QG2 ILE 18 + HG3 MET 121 OK 48 98 - 49 - 2.9/10592=20, ~10594=9...(9) QD1 ILE 57 + HG3 MET 121 OK 23 70 - 33 - ~10599=14, 9556/1.8=7...(6) QG2 VAL 78 + HG3 MET 121 OK 12 100 - 11 - 2.1/10592=5, ~10594=2 QD2 LEU 6 + HG3 MET 121 OK 10 90 - 11 - 10589/4.6=3, 10743/4.1=1...(7) QD1 LEU 6 - HG3 MET 121 lone 8 94 - 9 - ~10596=3, 10593/1.8=2, ~10599=1 QD2 LEU 45 - HG3 MET 121 lone 4 100 - 4 - ~10596=1 QD2 LEU 81 - HG3 MET 121 lone 4 65 - 6 - 11634/3.4=2, ~11633=2 QD2 LEU 55 - HG3 MET 121 lone 4 87 - 4 - 10589/4.6=2 QD2 LEU 63 - HG3 MET 121 lone 3 77 - 4 - ~10596=1 QD1 LEU 63 - HG3 MET 121 lone 3 70 - 4 - 10589/4.6=1 Peak 10592 from cnoeabs.peaks (0.61, 2.63, 31.22 ppm; 4.37 A): 2 out of 3 assignments used, quality = 0.64: QD1 ILE 18 + HG3 MET 121 OK 47 100 - 47 - 10594/1.8=12, 11353=8...(12) QD1 ILE 5 + HG3 MET 121 OK 33 94 - 35 - 10594/1.8=9, 11353=9...(8) QG1 VAL 78 - HG3 MET 121 lone 10 100 - 9 - 10594/1.8=3, 2.1/10591=2...(5) Peak 10593 from cnoeabs.peaks (0.72, 1.92, 31.22 ppm; 5.01 A): 4 out of 11 assignments used, quality = 0.94: QG2 ILE 18 + HG2 MET 121 OK 55 100 - 56 - ~10592=15, 2.9/10594=13...(12) QG1 VAL 117 + HG2 MET 121 OK 55 100 - 55 - 10509/1.8=40...(7) HG13 ILE 18 + HG2 MET 121 OK 51 92 - 56 - ~10592=17, 2.1/10594=15...(11) QD1 ILE 57 + HG2 MET 121 OK 36 87 - 42 - ~10599=15, 9556=10...(8) QG2 VAL 78 - HG2 MET 121 OK 13 98 - 13 - ~10592=4, 2.1/10594=3...(4) QD1 LEU 6 - HG2 MET 121 OK 10 99 - 10 - ~10596=3, 10591/1.8=1...(5) QD2 LEU 6 - HG2 MET 121 poor 7 73 - 10 - 10589/4.6=2, 10591/1.8=2...(5) QD2 LEU 81 - HG2 MET 121 lone 7 84 - 8 - 10601/3.4=3, ~11633=2 QD2 LEU 63 - HG2 MET 121 lone 5 92 - 5 - ~10596=1 QD2 LEU 45 - HG2 MET 121 lone 5 98 - 5 - ~10596=1 QD2 LEU 55 - HG2 MET 121 lone 3 70 - 5 - 10589/4.6=2 Peak 10594 from cnoeabs.peaks (0.62, 1.92, 31.22 ppm; 4.39 A): 4 out of 7 assignments used, quality = 0.76: QD1 ILE 18 + HG2 MET 121 OK 45 92 - 49 - 10592/1.8=18...(13) QD1 ILE 5 + HG2 MET 121 OK 36 100 - 36 - 10592/1.8=13...(7) QG1 VAL 22 + HG2 MET 121 OK 23 77 - 30 - 10602/3.4=10, ~10586=5...(8) HG13 ILE 15 + HG2 MET 121 OK 10 84 - 12 - 10590/4.6=3, 10602/3.4=3...(5) QG1 VAL 78 - HG2 MET 121 lone 10 96 - 10 - 10592/1.8=4, 2.1/10593=2...(4) QD1 ILE 54 - HG2 MET 121 lone 8 87 - 9 - 11353/1.8=2, 10602/3.4=2...(4) QD1 LEU 4 - HG2 MET 121 lone 2 61 - 3 - 10602/3.4=1 Peak 10596 from cnoeabs.peaks (0.75, 2.29, 33.64 ppm; 6.01 A): 3 out of 11 assignments used, quality = 0.55: HG13 ILE 18 + HB2 MET 121 OK 41 70 - 60 - ~10592=19, ~10594=12...(10) QD2 LEU 6 + HB2 MET 121 OK 15 90 - 17 - 10589/4.0=7, ~8304=3...(6) QG2 ILE 54 + HB2 MET 121 OK 10 100 - 10 - 10589/4.0=3, ~10594=2...(5) QD1 LEU 63 - HB2 MET 121 lone 7 99 - 7 - 10589/4.0=3 QD1 LEU 45 - HB2 MET 121 lone 7 96 - 7 - 10589/4.0=2 QD2 LEU 14 - HB2 MET 121 lone 7 70 - 10 - ~8304=3, 3.1/6998=3, ~6991=2 QD2 LEU 55 - HB2 MET 121 lone 6 92 - 7 - 10589/4.0=5 QG2 ILE 7 - HB2 MET 121 lone 6 100 - 6 - 10589/4.0=4 QD1 ILE 15 - HB2 MET 121 lone 5 65 - 8 - ~10594=3, 9182/3.0=2, ~6989=2 QG2 VAL 32 - HB2 MET 121 lone 2 70 - 3 - QG1 VAL 107 - HB2 MET 121 lone 2 70 - 2 - Peak 10597 from cnoeabs.peaks (2.51, 1.83, 16.54 ppm; 3.68 A): 2 out of 3 assignments used, quality = 0.63: HG3 GLN 25 + QE MET 121 OK 56 90 - 63 - 3.5/10579=20...(5) HG3 GLN 122 + QE MET 121 OK 16 81 - 20 - 5.1/7929=10, 3.9/10586=6 HG3 GLU 47 - QE MET 121 lone 2 97 - 2 - Peak 10598 from cnoeabs.peaks (2.81, 1.83, 16.54 ppm; 5.04 A): 1 out of 4 assignments used, quality = 0.79: HB3 GLN 25 + QE MET 121 OK 79 97 - 81 - 3.0/10597=33...(7) HB2 ASP 109 - QE MET 121 lone 4 96 - 4 - HB3 ASN 10 - QE MET 121 lone 1 94 - 2 - HE2 LYS 77 - QE MET 121 lone 1 70 - 1 - Peak 10599 from cnoeabs.peaks (1.46, 1.83, 16.54 ppm; 4.13 A): 0 out of 14 assignments used, low quality = 0.35: HG12 ILE 57 - QE MET 121 OK 35 100 - 35 - 2.1/10601=15...(8) HD2 LYS 53 - QE MET 121 lone 5 61 - 8 - 3.0/11244=5, 9223/10582=2 HB3 LEU 6 - QE MET 121 lone 4 100 - 4 - 3.1/10601=1 HG LEU 4 - QE MET 121 lone 3 92 - 3 - 2.1/10602=2 HG12 ILE 7 - QE MET 121 lone 3 100 - 3 - HG3 LYS 20 - QE MET 121 lone 2 77 - 2 - HG2 LYS 106 - QE MET 121 lone 1 100 - 1 - HB3 LEU 38 - QE MET 121 lone 1 100 - 1 - HG3 LYS 49 - QE MET 121 lone 1 100 - 1 - HG2 LYS 49 - QE MET 121 lone 1 100 - 1 - HG2 LYS 39 - QE MET 121 lone 1 99 - 1 - HG3 ARG 30 - QE MET 121 lone 1 94 - 1 - HB2 LEU 74 - QE MET 121 lone 1 99 - 1 - HG3 LYS 73 - QE MET 121 lone 1 70 - 1 - Peak 10600 from cnoeabs.peaks (0.85, 1.83, 16.54 ppm; 4.04 A): 8 out of 9 assignments used, quality = 0.93: QG2 VAL 22 + QE MET 121 OK 38 96 - 39 - 2.1/10602=21...(7) QG2 ILE 57 + QE MET 121 OK 37 98 - 37 - 3.2/10599=17...(6) HG13 ILE 57 + QE MET 121 OK 36 84 - 43 - 1.8/10599=22...(7) HG13 ILE 5 + QE MET 121 OK 31 100 - 31 - 2.1/10602=11, ~10592=6...(8) QG2 ILE 5 + QE MET 121 OK 27 99 - 27 - 3.0/10602=9, ~10592=4...(9) QG2 VAL 117 + QE MET 121 OK 20 61 - 33 - ~10509=13, 2.1/10601=10...(7) QG2 ILE 15 + QE MET 121 OK 17 100 - 17 - 3.2/10602=5, 4.1/70=3...(4) QD1 LEU 14 + QE MET 121 OK 15 84 - 18 - 4.0/10585=11, 4.3/1090=3 QG2 THR 9 - QE MET 121 lone 3 70 - 5 - Peak 10601 from cnoeabs.peaks (0.71, 1.83, 16.54 ppm; 3.35 A): 3 out of 9 assignments used, quality = 0.52: QD1 ILE 57 + QE MET 121 OK 28 100 - 29 - 2.1/10599=14, 9556/3.4=5...(5) QG1 VAL 117 + QE MET 121 OK 19 77 - 25 - 10509/3.4=9, 10510=6...(6) QG2 ILE 18 + QE MET 121 OK 17 87 - 20 - ~10592=4, ~10594=2...(11) QD2 LEU 81 - QE MET 121 lone 8 100 - 8 - 2.1/11633=2, 11634=2 QD1 LEU 6 - QE MET 121 lone 3 94 - 4 - 3.1/10599=1 QG2 ILE 56 - QE MET 121 lone 3 87 - 3 - 4.4/1371=2 QG2 VAL 78 - QE MET 121 lone 2 61 - 3 - ~10592=1 QD2 LEU 63 - QE MET 121 lone 2 100 - 2 - QD2 LEU 45 - QE MET 121 lone 1 61 - 1 - Peak 10602 from cnoeabs.peaks (0.64, 1.83, 16.54 ppm; 3.30 A): 0 out of 6 assignments used, low quality = 0.39: QG1 VAL 22 - QE MET 121 OK 28 100 - 28 - 10865=9, 3.2/10586=7...(8) QD1 ILE 5 - QE MET 121 OK 15 81 - 19 - 2.1/10600=3, 11353/3.4=3...(8) HG13 ILE 15 - QE MET 121 lone 8 100 - 8 - 3.2/10600=1, 5.0/70=1 QD1 ILE 54 - QE MET 121 lone 4 100 - 4 - QD1 LEU 4 - QE MET 121 lone 3 99 - 3 - 2.1/10599=1 QD1 ILE 71 - QE MET 121 lone 0 73 - 1 - Peak 10604 from cnoeabs.peaks (1.71, 2.24, 28.02 ppm; 5.48 A): 2 out of 30 assignments used, quality = 0.55: HG3 LYS 123 + HB2 GLN 122 OK 33 97 - 34 - 7107/4.7=19, 3.9/8290=16 HG3 LYS 123 + HB3 GLN 122 OK 33 97 - 34 - 7107/4.7=19, 3.9/8290=16 HG12 ILE 71 - HB2 GLN 122 lone 7 87 - 8 - ~9781=3, ~11079=2, 1813/4.7=1 HG12 ILE 71 - HB3 GLN 122 lone 7 87 - 8 - ~9781=3, ~11079=2, 1813/4.7=1 HD3 LYS 44 - HB2 GLN 122 lone 4 100 - 4 - 1813/4.7=2 HD3 LYS 44 - HB3 GLN 122 lone 4 100 - 4 - 1813/4.7=2 HD2 LYS 44 - HB3 GLN 122 lone 4 99 - 4 - 1813/4.7=2 HD2 LYS 44 - HB2 GLN 122 lone 4 99 - 4 - 1813/4.7=2 HG3 LYS 39 - HB2 GLN 122 lone 4 97 - 4 - 7107/4.7=2 HG3 LYS 39 - HB3 GLN 122 lone 4 97 - 4 - 7107/4.7=2 HD3 LYS 39 - HB3 GLN 122 lone 3 100 - 3 - 1813/4.7=2 HD3 LYS 39 - HB2 GLN 122 lone 3 100 - 3 - 1813/4.7=2 HD2 LYS 39 - HB2 GLN 122 lone 3 100 - 3 - 1813/4.7=2 HD2 LYS 39 - HB3 GLN 122 lone 3 100 - 3 - 1813/4.7=2 HB3 LEU 90 - HB2 GLN 122 lone 2 70 - 3 - HB3 LEU 90 - HB3 GLN 122 lone 2 70 - 3 - HD3 LYS 16 - HB3 GLN 122 lone 2 70 - 2 - HD3 LYS 16 - HB2 GLN 122 lone 2 70 - 2 - HG LEU 74 - HB2 GLN 122 lone 2 100 - 2 - HG LEU 74 - HB3 GLN 122 lone 2 100 - 2 - HB3 LYS 106 - HB3 GLN 122 lone 1 94 - 2 - HB3 LYS 106 - HB2 GLN 122 lone 1 94 - 2 - HB2 LYS 106 - HB2 GLN 122 lone 1 90 - 2 - HB2 LYS 106 - HB3 GLN 122 lone 1 90 - 2 - HD2 LYS 20 - HB3 GLN 122 lone 1 65 - 2 - HD2 LYS 20 - HB2 GLN 122 lone 1 65 - 2 - HD3 LYS 20 - HB2 GLN 122 lone 1 61 - 2 - HD3 LYS 20 - HB3 GLN 122 lone 1 61 - 2 - HB ILE 56 - HB2 GLN 122 lone 1 70 - 1 - HB ILE 56 - HB3 GLN 122 lone 1 70 - 1 - Peak 10605 from cnoeabs.peaks (4.03, 2.52, 33.53 ppm; 4.58 A): 4 out of 24 assignments used, quality = 0.80: HA LYS 123 + HG3 GLN 122 OK 69 94 - 73 - 3.0/781=20, 8290/3.0=14...(12) HA GLU 66 + HG3 GLN 122 OK 16 96 - 16 - 3.6/7934=4, 2231/5.1=3...(6) HA PHE 120 + HG3 GLN 122 OK 15 87 - 17 - 2231/5.1=6, 8296/781=4...(5) HA GLU 119 + HG3 GLN 122 OK 13 97 - 13 - 8289/5.1=5, 8292/3.0=3...(4) HA GLU 87 - HG3 GLN 122 lone 6 100 - 6 - 8164/5.1=3 HA LYS 123 - HG3 GLN 25 lone 6 83 - 7 - 3.0/781=4 HA GLU 92 - HG3 GLN 122 lone 5 100 - 5 - HA LYS 40 - HG3 GLN 122 lone 3 87 - 4 - HA GLU 66 - HG3 GLN 25 lone 3 85 - 3 - HA PHE 120 - HG3 GLN 25 lone 3 75 - 4 - 11470/10597=1 HB3 SER 126 - HG3 GLN 122 lone 2 99 - 2 - HB2 SER 126 - HG3 GLN 122 lone 2 90 - 2 - HA GLU 13 - HG3 GLN 122 lone 2 96 - 2 - HA SER 35 - HG3 GLN 122 lone 1 87 - 2 - HA GLU 119 - HG3 GLN 25 lone 1 87 - 1 - HA GLU 87 - HG3 GLN 25 lone 1 92 - 1 - HA GLU 13 - HG3 GLN 25 lone 1 85 - 1 - HA GLU 92 - HG3 GLN 25 lone 1 92 - 1 - HA SER 35 - HG3 GLN 25 lone 1 75 - 1 - HB3 SER 126 - HG3 GLN 25 lone 1 91 - 1 - HA LYS 40 - HG3 GLN 25 lone 1 75 - 1 - HB2 SER 126 - HG3 GLN 25 lone 1 78 - 1 - HA2 GLY 125 - HG3 GLN 122 lone 0 65 - 1 - HA2 GLY 125 - HG3 GLN 25 lone 0 55 - 1 - Peak 10608 from cnoeabs.peaks (4.03, 2.41, 33.53 ppm; 4.36 A): 6 out of 60 assignments used, quality = 0.90: HA LYS 123 + HG2 GLN 122 OK 74 100 - 74 - 3.0/7933=14...(12) HA GLU 66 + HG2 GLN 85 OK 21 84 - 26 - 4887/1.8=3, 3.6/7933=2...(15) HA GLU 66 + HG3 GLN 85 OK 21 84 - 26 - 3.6/7933=2, 4887/1.8=2...(15) HA GLU 66 + HG2 GLN 122 OK 16 100 - 16 - 3.6/7933=3, 10605/1.8=3...(7) HA PHE 120 + HG2 GLN 122 OK 16 100 - 16 - 2231/5.1=5, 8296/7933=3...(5) HA GLU 119 + HG2 GLN 122 OK 13 100 - 13 - 8289/5.1=4, 8290/3.0=3...(4) HA LYS 123 - HG2 GLN 85 poor 10 84 - 12 - 3.0/780=3, ~780=2, ~7933=2 HA LYS 123 - HG3 GLN 85 poor 10 84 - 12 - 3.0/780=3, ~780=2, ~7933=2 HA GLU 66 - HG3 GLN 62 lone 7 76 - 9 - 2609/3.0=3, 2609/3.0=3 HA GLU 66 - HG2 GLN 62 lone 7 73 - 9 - 2609/3.0=3, 2609/3.0=3 HA GLU 87 - HG2 GLN 122 lone 5 92 - 6 - 8164/5.1=2, 10605/1.8=1 HA GLU 92 - HG2 GLN 122 lone 5 97 - 5 - HA GLU 87 - HG3 GLN 85 lone 4 72 - 5 - ~5709=2, ~1575=2 HA GLU 87 - HG2 GLN 85 lone 4 72 - 5 - ~5709=2, ~1575=2 HA LYS 40 - HG2 GLN 122 lone 4 100 - 4 - HA LYS 123 - HG3 GLN 62 lone 4 76 - 5 - 3.0/780=1 HA LYS 123 - HG2 GLN 62 lone 4 74 - 5 - 3.0/780=1 HB2 SER 126 - HG2 GLN 122 lone 2 100 - 2 - HB3 SER 126 - HG2 GLN 122 lone 2 99 - 2 - HA PHE 120 - HG3 GLN 85 lone 2 83 - 2 - HA PHE 120 - HG2 GLN 85 lone 2 83 - 2 - HA GLU 13 - HG2 GLN 122 lone 2 100 - 2 - HA GLU 13 - HG3 GLN 85 lone 2 84 - 2 - HA GLU 13 - HG2 GLN 85 lone 2 84 - 2 - HA GLU 13 - HG3 GLN 62 lone 1 76 - 2 - HA GLU 92 - HG3 GLN 85 lone 1 78 - 2 - HA GLU 13 - HG2 GLN 62 lone 1 73 - 2 - HA GLU 92 - HG2 GLN 85 lone 1 78 - 2 - HA GLU 119 - HG3 GLN 85 lone 1 83 - 1 - HA GLU 119 - HG2 GLN 85 lone 1 83 - 1 - HA GLU 92 - HG3 GLN 62 lone 1 71 - 1 - HA PHE 120 - HG3 GLN 62 lone 1 75 - 1 - HA GLU 92 - HG2 GLN 62 lone 1 68 - 1 - HA PHE 120 - HG2 GLN 62 lone 1 73 - 1 - HA3 GLY 101 - HG3 GLN 85 lone 1 55 - 1 - HA3 GLY 101 - HG2 GLN 85 lone 1 55 - 1 - HB2 SER 126 - HG3 GLN 85 lone 1 83 - 1 - HB2 SER 126 - HG2 GLN 85 lone 1 83 - 1 - HA GLU 119 - HG3 GLN 62 lone 1 76 - 1 - HA GLU 119 - HG2 GLN 62 lone 1 73 - 1 - HB3 SER 126 - HG3 GLN 85 lone 1 81 - 1 - HB3 SER 126 - HG2 GLN 85 lone 1 81 - 1 - HA LYS 40 - HG3 GLN 85 lone 1 83 - 1 - HA LYS 40 - HG2 GLN 85 lone 1 83 - 1 - HA GLU 87 - HG3 GLN 62 lone 1 65 - 1 - HA3 GLY 75 - HG2 GLN 122 lone 1 84 - 1 - HA GLU 87 - HG2 GLN 62 lone 1 62 - 1 - HA3 GLY 101 - HG2 GLN 122 lone 1 73 - 1 - HB2 SER 126 - HG3 GLN 62 lone 1 76 - 1 - HB2 SER 126 - HG2 GLN 62 lone 1 73 - 1 - HB3 SER 126 - HG3 GLN 62 lone 1 73 - 1 - HB3 SER 126 - HG2 GLN 62 lone 1 71 - 1 - HA LYS 40 - HG3 GLN 62 lone 1 75 - 1 - HA LYS 40 - HG2 GLN 62 lone 1 73 - 1 - HA3 GLY 75 - HG3 GLN 85 lone 0 64 - 1 - HA3 GLY 75 - HG2 GLN 85 lone 0 64 - 1 - HA3 GLY 75 - HG3 GLN 62 lone 0 57 - 1 - HA3 GLY 75 - HG2 GLN 62 lone 0 55 - 1 - HA3 GLY 101 - HG3 GLN 62 lone 0 49 - 1 - HA3 GLY 101 - HG2 GLN 62 lone 0 47 - 1 - Peak 10610 from cnoeabs.peaks (4.64, 2.41, 33.53 ppm; 5.13 A): 0 out of 10 assignments used, low quality = 0.00: HA ASN 50 - HG3 GLN 85 lone 3 51 - 5 - ~11181=2, ~11538=2 HA ASN 50 - HG2 GLN 85 lone 3 51 - 5 - ~11181=2, ~11538=2 HA GLN 25 - HG3 GLN 85 lone 1 81 - 2 - HA GLN 25 - HG2 GLN 85 lone 1 81 - 2 - HA GLN 25 - HG2 GLN 122 lone 1 99 - 1 - HA GLN 25 - HG3 GLN 62 lone 1 73 - 1 - HA GLN 25 - HG2 GLN 62 lone 1 71 - 1 - HA ASN 50 - HG2 GLN 122 lone 1 70 - 1 - HA ASN 50 - HG3 GLN 62 lone 0 46 - 1 - HA ASN 50 - HG2 GLN 62 lone 0 44 - 1 - Peak 10612 from cnoeabs.peaks (0.81, 1.70, 25.68 ppm; 4.36 A): 0 out of 14 assignments used, low quality = 0.23: QG2 ILE 71 - HG3 LYS 123 OK 23 96 - 24 - 9788/1.8=5, 5083/4.7=4...(7) QD1 LEU 74 - HG3 LYS 123 lone 5 96 - 5 - 4.8/466=1 QD2 LEU 74 - HG3 LYS 123 lone 5 92 - 5 - 4.8/466=1 QD1 LEU 114 - HG3 LYS 123 lone 3 99 - 3 - QG2 ILE 71 - HG3 LYS 39 lone 3 61 - 5 - 9789/1.8=1 QG1 VAL 29 - HG3 LYS 123 lone 2 94 - 3 - QD1 LEU 64 - HG3 LYS 123 lone 2 99 - 2 - QG1 VAL 29 - HG3 LYS 39 lone 2 59 - 3 - ~11038=1 QD1 LEU 74 - HG3 LYS 39 lone 1 61 - 2 - QD1 LEU 64 - HG3 LYS 39 lone 1 65 - 2 - QD2 LEU 82 - HG3 LYS 39 lone 1 43 - 3 - ~11039=1 QD2 LEU 74 - HG3 LYS 39 lone 1 57 - 2 - QD2 LEU 82 - HG3 LYS 123 lone 1 73 - 2 - QD1 LEU 114 - HG3 LYS 39 lone 1 66 - 2 - Peak 10615 from cnoeabs.peaks (0.98, 4.14, 54.65 ppm; 3.71 A): 1 out of 3 assignments used, quality = 0.55: QD1 ILE 3 + HA ALA 124 OK 55 73 - 75 - 3.0/10692=21...(11) HG13 ILE 116 - HA ALA 124 lone 2 77 - 2 - HG12 ILE 97 - HA ALA 124 lone 0 65 - 1 - Peak 10616 from cnoeabs.peaks (1.21, 1.50, 18.93 ppm; 4.73 A): 1 out of 2 assignments used, quality = 0.82: HG13 ILE 3 + QB ALA 124 OK 82 92 - 90 - 2.1/10618=41...(8) HB3 LEU 74 - QB ALA 124 lone 8 77 - 10 - 4657/10629=9 Peak 10617 from cnoeabs.peaks (1.06, 1.50, 18.93 ppm; 3.44 A): 1 out of 2 assignments used, quality = 0.65: QG2 ILE 3 + QB ALA 124 OK 65 84 - 77 - 9006=29, 3.0/9010=23...(11) HG2 LYS 2 - QB ALA 124 lone 6 99 - 6 - 10692/2.1=2, 2.9/10618=2 Peak 10618 from cnoeabs.peaks (0.97, 1.50, 18.93 ppm; 3.44 A): 1 out of 5 assignments used, quality = 0.81: QD1 ILE 3 + QB ALA 124 OK 81 100 - 81 - 9010=40, 3.0/10617=24...(11) QD1 LEU 38 - QB ALA 124 lone 5 98 - 5 - 10614/2.9=1 HD3 LYS 2 - QB ALA 124 lone 5 96 - 5 - 2.9/10617=2, ~10692=1 HG13 ILE 116 - QB ALA 124 lone 2 100 - 2 - HG13 ILE 56 - QB ALA 124 lone 1 92 - 1 - Peak 10619 from cnoeabs.peaks (0.85, 1.50, 18.93 ppm; 4.92 A): 4 out of 11 assignments used, quality = 0.65: HG13 ILE 5 + QB ALA 124 OK 33 99 - 33 - 2.1/10620=18...(6) QG2 ILE 5 + QB ALA 124 OK 29 94 - 31 - 3.0/10620=16...(7) QG2 ILE 15 + QB ALA 124 OK 18 100 - 18 - 3.2/10620=5, 2.1/10621=2...(6) QG2 VAL 22 + QB ALA 124 OK 11 99 - 11 - 2.1/10620=6...(3) QD1 LEU 14 - QB ALA 124 lone 6 94 - 7 - 11652/10620=2 QG2 THR 9 - QB ALA 124 lone 3 84 - 4 - QG2 ILE 57 - QB ALA 124 lone 3 92 - 3 - QG2 VAL 117 - QB ALA 124 lone 3 77 - 3 - 10524/10620=1 HG13 ILE 57 - QB ALA 124 lone 3 94 - 3 - QG2 VAL 107 - QB ALA 124 lone 3 65 - 4 - QG1 VAL 32 - QB ALA 124 lone 1 70 - 1 - Peak 10620 from cnoeabs.peaks (0.63, 1.50, 18.93 ppm; 4.26 A): 3 out of 7 assignments used, quality = 0.50: QD1 ILE 5 + QB ALA 124 OK 36 99 - 36 - 2.1/10619=8, 3.0/10619=6...(9) HG13 ILE 15 + QB ALA 124 OK 13 96 - 13 - 3.2/10619=4, 2.9/10621=2...(4) QG1 VAL 22 + QB ALA 124 OK 11 92 - 12 - 10851/10626=5...(3) QG1 VAL 78 - QB ALA 124 poor 10 84 - 12 - 4661/10629=3...(5) QD1 ILE 54 - QB ALA 124 poor 10 97 - 10 - 9009/9006=2...(4) QD1 LEU 4 - QB ALA 124 lone 5 81 - 6 - 9009/9006=2 QD1 ILE 18 - QB ALA 124 lone 4 77 - 5 - 9056/10626=1 Peak 10621 from cnoeabs.peaks (1.90, 1.50, 18.93 ppm; 4.41 A): 3 out of 21 assignments used, quality = 0.55: HB3 LYS 123 + QB ALA 124 OK 27 70 - 39 - 3.7/10613=15, ~786=11...(5) HB ILE 71 + QB ALA 124 OK 24 100 - 25 - 10630/2.1=6, 5076/2.9=6...(6) HB2 GLU 128 + QB ALA 124 OK 18 99 - 19 - 10630/2.1=5, 8327/4.6=4...(5) HB ILE 15 - QB ALA 124 poor 10 65 - 15 - 2.1/10619=5, 2.9/10620=5...(5) HB2 LEU 45 - QB ALA 124 poor 10 97 - 10 - 10630/2.1=2...(4) HB2 LYS 73 - QB ALA 124 lone 10 100 - 10 - 10630/2.1=2, ~10630=2, ~8321=1 HB3 LYS 73 - QB ALA 124 lone 10 100 - 10 - 10630/2.1=3, ~10630=2, ~8321=1 HB2 ARG 95 - QB ALA 124 lone 10 100 - 9 - 10630/2.1=2, 8326/4.6=1 HB3 LYS 43 - QB ALA 124 lone 9 99 - 9 - 10630/2.1=2, ~10630=1 HB2 LYS 43 - QB ALA 124 lone 9 92 - 9 - 10630/2.1=2, ~10630=1 HB2 LYS 20 - QB ALA 124 lone 7 97 - 7 - 10630/2.1=1, 3.0/3036=1 HB3 LYS 20 - QB ALA 124 lone 7 97 - 7 - 10630/2.1=1, 3.0/3036=1 HB3 LYS 44 - QB ALA 124 lone 7 94 - 7 - 10630/2.1=1 HB2 LYS 44 - QB ALA 124 lone 6 81 - 7 - QE MET 67 - QB ALA 124 lone 5 70 - 8 - 5.4/8305=3, 10630/2.1=1 HB2 LYS 96 - QB ALA 124 lone 5 99 - 5 - 10630/2.1=1 HG LEU 45 - QB ALA 124 lone 5 77 - 7 - 10630/2.1=2, ~10630=1 HB2 LYS 49 - QB ALA 124 lone 5 100 - 5 - ~4118=1, 10630/2.1=1 HB ILE 7 - QB ALA 124 lone 2 99 - 2 - HB3 LYS 16 - QB ALA 124 lone 2 73 - 2 - HB2 LYS 16 - QB ALA 124 lone 2 70 - 2 - Peak 10624 from cnoeabs.peaks (6.99, 4.14, 54.65 ppm; 4.66 A): 2 out of 2 assignments used, quality = 0.91: HZ PHE 79 + HA ALA 124 OK 88 100 - 88 - 2.2/10625=31, 4639=30...(11) QD TYR 102 + HA ALA 124 OK 25 100 - 25 - 10628/2.1=7, ~10627=6...(6) Peak 10625 from cnoeabs.peaks (7.10, 4.14, 54.65 ppm; 4.67 A): 2 out of 2 assignments used, quality = 0.94: QE PHE 79 + HA ALA 124 OK 93 100 - 93 - 10629/2.1=38...(14) HZ PHE 93 + HA ALA 124 OK 19 84 - 23 - 4684/10615=8, ~4675=5...(4) Peak 10626 from cnoeabs.peaks (6.57, 1.50, 18.93 ppm; 5.94 A): 0 out of 1 assignment used, low quality = 0.34: QE TYR 27 - QB ALA 124 OK 34 84 - 40 - 9017/9006=15...(8) Peak 10627 from cnoeabs.peaks (6.72, 1.50, 18.93 ppm; 4.95 A): 3 out of 3 assignments used, quality = 0.93: QD PHE 79 + QB ALA 124 OK 88 100 - 88 - 2.2/10629=41, 4646=25...(12) QE TYR 102 + QB ALA 124 OK 32 100 - 32 - 2.2/10628=8, 4623=7...(7) QE TYR 76 + QB ALA 124 OK 16 100 - 16 - 9025/10618=3, 4623=3...(5) Peak 10628 from cnoeabs.peaks (7.00, 1.50, 18.93 ppm; 4.85 A): 2 out of 3 assignments used, quality = 0.92: HZ PHE 79 + QB ALA 124 OK 89 98 - 91 - 2.2/10629=41, 4665=29...(11) QD TYR 102 + QB ALA 124 OK 25 87 - 29 - 2.2/10627=9, 10624/2.1=8...(6) HE22 GLN 28 - QB ALA 124 lone 1 70 - 1 - Peak 10629 from cnoeabs.peaks (7.10, 1.50, 18.93 ppm; 3.90 A): 2 out of 2 assignments used, quality = 0.82: QE PHE 79 + QB ALA 124 OK 80 99 - 80 - 4655=23, 10625/2.1=21...(12) HZ PHE 93 + QB ALA 124 OK 11 65 - 17 - 2.2/4675=6, 4684/9010=5...(4) Peak 10630 from cnoeabs.peaks (1.89, 4.14, 54.65 ppm; 4.20 A): 0 out of 20 assignments used, low quality = 0.33: HB ILE 71 - HA ALA 124 OK 19 99 - 20 - 5076/3.0=6, 10621/2.1=4...(6) HB2 GLU 128 - HA ALA 124 OK 16 94 - 18 - 4.0/2264=11, 10621/2.1=3...(4) HB3 LYS 73 - HA ALA 124 lone 8 100 - 8 - 10621/2.1=2, 2.9/8321=2 HB2 ARG 95 - HA ALA 124 lone 8 99 - 8 - 10621/2.1=2, 3.0/6040=1 HB2 LYS 73 - HA ALA 124 lone 7 100 - 7 - 10621/2.1=2, 2.9/8321=2 HG LEU 45 - HA ALA 124 lone 7 92 - 7 - 4012=2, 2.1/4026=1 HB3 LYS 43 - HA ALA 124 lone 6 94 - 6 - 10621/2.1=2, ~10621=1 HB2 LEU 45 - HA ALA 124 lone 6 87 - 7 - 10621/2.1=2, 3.0/4012=2 HB2 LYS 43 - HA ALA 124 lone 5 77 - 6 - 10621/2.1=2, ~10621=1 HG2 ARG 95 - HA ALA 124 lone 4 73 - 6 - 1.8/6048=1, 6040=1 HB3 LYS 20 - HA ALA 124 lone 4 100 - 4 - 10621/2.1=1 HB2 LYS 20 - HA ALA 124 lone 4 100 - 4 - 10621/2.1=1 HB3 LYS 44 - HA ALA 124 lone 4 81 - 5 - 10621/2.1=1 HB2 LYS 49 - HA ALA 124 lone 4 97 - 4 - ~4118=1 QE MET 67 - HA ALA 124 lone 3 87 - 4 - 6.2/2098=1 HB2 LYS 96 - HA ALA 124 lone 3 94 - 3 - HB2 LYS 44 - HA ALA 124 lone 3 61 - 5 - HB3 LYS 16 - HA ALA 124 lone 2 90 - 2 - HB2 LYS 16 - HA ALA 124 lone 1 87 - 2 - HB ILE 7 - HA ALA 124 lone 1 100 - 1 - Peak 10633 from cnoeabs.peaks (1.50, 4.05, 46.29 ppm; 4.83 A): 2 out of 2 assignments used, quality = 1.00: QB ALA 124 + HA2 GLY 125 OK 99 99 - 100 - 4.6=100 QB ALA 124 + HA3 GLY 125 OK 76 76 - 100 - 4.6=100 Peak 10634 from cnoeabs.peaks (4.46, 4.06, 46.29 ppm; 5.92 A): 2 out of 2 assignments used, quality = 0.79: HA SER 126 + HA3 GLY 125 OK 64 77 - 83 - ~1968=30, ~797=29...(7) HA SER 126 + HA2 GLY 125 OK 43 53 - 81 - ~1968=30, ~797=29...(7) Peak 10638 from cnoeabs.peaks (8.10, 4.03, 63.46 ppm; 4.92 A): 6 out of 8 assignments used, quality = 0.86: H GLU 128 + HB3 SER 126 OK 49 87 - 57 - 804/4.5=27, 2260/3.0=20...(7) H GLU 128 + HB2 SER 126 OK 43 76 - 57 - 804/4.5=27, 2260/3.0=20...(7) H GLU 92 + HB3 SER 126 OK 18 96 - 19 - 2253/4.0=5, 8331/3.0=5...(4) H GLU 92 + HB2 SER 126 OK 16 86 - 19 - 2253/4.0=5, 8331/3.0=5...(4) H PHE 93 + HB3 SER 126 OK 15 97 - 15 - 3.6/10642=10, 2253/4.0=2 H PHE 93 + HB2 SER 126 OK 14 88 - 16 - 3.6/10642=11, 2253/4.0=2 H SER 99 - HB3 SER 126 lone 3 100 - 3 - H SER 99 - HB2 SER 126 lone 3 92 - 3 - Peak 10641 from cnoeabs.peaks (1.89, 4.02, 63.46 ppm; 5.13 A): 7 out of 42 assignments used, quality = 0.85: HB3 LYS 16 + HB2 SER 126 OK 31 97 - 32 - 3.0/11425=5, 3.0/11424=5...(12) HB2 LYS 16 + HB2 SER 126 OK 30 96 - 32 - 3.0/11425=5, 3.0/11424=5...(12) HB3 LYS 16 + HB3 SER 126 OK 27 88 - 31 - 3.0/11425=5, 3.0/11424=5...(11) HB2 LYS 16 + HB3 SER 126 OK 27 86 - 31 - 3.0/11425=5, 3.0/11424=5...(11) HB2 GLU 128 + HB2 SER 126 OK 21 84 - 25 - 4.0/10638=7, 10639/4.0=4...(7) HB2 GLU 128 + HB3 SER 126 OK 19 73 - 26 - 4.0/10638=8, 10639/4.0=4...(7) HB2 ARG 95 + HB2 SER 126 OK 10 94 - 11 - 10639/4.0=2, 8201/1.8=1...(6) HB2 ARG 95 - HB3 SER 126 poor 9 84 - 10 - 10639/4.0=2, 8201/1.8=1...(5) HG2 ARG 95 - HB2 SER 126 lone 8 87 - 9 - 11427/1.8=1, 3.0/8201=1 HG2 ARG 95 - HB3 SER 126 lone 6 76 - 8 - 3.0/8201=1, 3.0/8203=1 HB3 LYS 43 - HB2 SER 126 lone 3 84 - 4 - HB2 LYS 73 - HB2 SER 126 lone 3 97 - 3 - HB3 LYS 43 - HB3 SER 126 lone 3 73 - 4 - HB3 LYS 73 - HB2 SER 126 lone 3 98 - 3 - HB2 LYS 73 - HB3 SER 126 lone 2 88 - 3 - HB2 LEU 63 - HB2 SER 126 lone 2 70 - 4 - HB3 LYS 73 - HB3 SER 126 lone 2 89 - 3 - HB3 LYS 20 - HB2 SER 126 lone 2 100 - 2 - HB2 LYS 20 - HB2 SER 126 lone 2 100 - 2 - HB2 LYS 43 - HB2 SER 126 lone 2 61 - 4 - QE MET 67 - HB2 SER 126 lone 2 96 - 2 - HB2 LYS 20 - HB3 SER 126 lone 2 93 - 2 - HB3 LYS 20 - HB3 SER 126 lone 2 93 - 2 - HB ILE 71 - HB2 SER 126 lone 2 96 - 2 - 10639/4.0=1 HB2 LEU 63 - HB3 SER 126 lone 2 60 - 3 - HB2 LYS 96 - HB2 SER 126 lone 2 84 - 2 - HB2 LYS 43 - HB3 SER 126 lone 2 52 - 4 - HB ILE 71 - HB3 SER 126 lone 2 86 - 2 - 10639/4.0=1 QE MET 67 - HB3 SER 126 lone 2 86 - 2 - HG LEU 45 - HB2 SER 126 lone 2 98 - 2 - HB2 LYS 96 - HB3 SER 126 lone 2 73 - 2 - HG LEU 45 - HB3 SER 126 lone 2 89 - 2 - HB3 LYS 44 - HB2 SER 126 lone 2 65 - 3 - HB2 LEU 45 - HB2 SER 126 lone 2 73 - 2 - HB3 LYS 44 - HB3 SER 126 lone 1 56 - 3 - HB2 LEU 45 - HB3 SER 126 lone 1 63 - 2 - HB2 LYS 49 - HB2 SER 126 lone 1 90 - 2 - HB ILE 7 - HB2 SER 126 lone 1 99 - 1 - HB ILE 7 - HB3 SER 126 lone 1 92 - 1 - HB2 LYS 49 - HB3 SER 126 lone 1 79 - 2 - HB3 ARG 118 - HB2 SER 126 lone 1 70 - 1 - HB3 ARG 118 - HB3 SER 126 lone 1 60 - 1 - Peak 10642 from cnoeabs.peaks (3.05, 4.02, 63.46 ppm; 5.66 A): 0 out of 2 assignments used, low quality = 0.00: HB3 PHE 93 - HB2 SER 126 lone 4 73 - 5 - 3.6/10638=3 HB3 PHE 93 - HB3 SER 126 lone 3 63 - 5 - 3.6/10638=3 Peak 10644 from cnoeabs.peaks (0.95, 4.02, 63.46 ppm; 5.79 A): 3 out of 12 assignments used, quality = 0.49: QD1 ILE 3 + HB2 SER 126 OK 25 81 - 31 - 10657/4.5=11...(4) QD1 ILE 3 + HB3 SER 126 OK 22 70 - 31 - 10657/4.5=11...(4) QD1 LEU 38 + HB2 SER 126 OK 12 97 - 13 - 11035/1.8=2, ~9377=2...(6) QD1 LEU 38 - HB3 SER 126 lone 9 88 - 10 - 2.1/9377=2, ~9377=2...(4) HG13 ILE 56 - HB2 SER 126 lone 2 100 - 2 - HG13 ILE 56 - HB3 SER 126 lone 2 92 - 2 - HD3 LYS 2 - HB2 SER 126 lone 2 99 - 2 - HD3 LYS 2 - HB3 SER 126 lone 1 91 - 2 - HG13 ILE 116 - HB2 SER 126 lone 1 77 - 2 - HG13 ILE 116 - HB3 SER 126 lone 1 67 - 2 - HG3 LYS 53 - HB2 SER 126 lone 1 57 - 2 - HG3 LYS 53 - HB3 SER 126 lone 1 49 - 2 - Peak 10648 from cnoeabs.peaks (3.06, 4.28, 56.22 ppm; 4.64 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10649 from cnoeabs.peaks (3.87, 4.28, 56.22 ppm; 5.72 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10650 from cnoeabs.peaks (4.03, 4.28, 56.22 ppm; 5.20 A): 2 out of 12 assignments used, quality = 0.88: HB2 SER 126 + HA LEU 127 OK 66 100 - 66 - 7949/2.9=24, ~7950=18...(6) HB3 SER 126 + HA LEU 127 OK 66 99 - 67 - 7950/2.9=24, ~7949=18...(6) HA GLU 92 - HA LEU 127 lone 8 97 - 8 - ~1970=4, 803/2.9=2 HA LYS 123 - HA LEU 127 lone 8 100 - 8 - 802/2.9=2, 7073/3.6=1, ~1830=1 HA PHE 120 - HA LEU 127 lone 3 100 - 3 - HA LYS 40 - HA LEU 127 lone 3 100 - 3 - HA GLU 13 - HA LEU 127 lone 2 100 - 2 - HA GLU 66 - HA LEU 127 lone 2 100 - 2 - HA GLU 119 - HA LEU 127 lone 2 100 - 2 - HA GLU 87 - HA LEU 127 lone 1 92 - 1 - HA3 GLY 75 - HA LEU 127 lone 1 84 - 1 - HA3 GLY 101 - HA LEU 127 lone 1 73 - 1 - Peak 10653 from cnoeabs.peaks (4.15, 1.01, 25.52 ppm; 3.84 A): 2 out of 8 assignments used, quality = 0.53: HA ALA 124 + QD1 LEU 127 OK 48 100 - 48 - 8318/4.2=16, 8321/3.1=13...(9) HA ARG 95 + QD1 LEU 127 OK 10 100 - 10 - 2264/4.8=3, 8322/3.1=2...(4) HA LEU 70 - QD1 LEU 127 poor 8 81 - 10 - 8322/3.1=2, 5031/2.1=2...(5) HA LEU 45 - QD1 LEU 127 lone 6 100 - 6 - 4638/10830=1, 8322/3.1=1 HA GLU 89 - QD1 LEU 127 lone 6 100 - 6 - 2264/4.8=2, 8322/3.1=2 HA LEU 63 - QD1 LEU 127 lone 4 84 - 5 - 8322/3.1=1, 2264/4.8=1 HA GLN 122 - QD1 LEU 127 lone 3 87 - 4 - HA VAL 22 - QD1 LEU 127 lone 2 77 - 2 - Peak 10654 from cnoeabs.peaks (1.92, 0.97, 13.48 ppm; 3.78 A): 4 out of 19 assignments used, quality = 0.57: HB2 LEU 127 + QD1 ILE 3 OK 25 81 - 31 - 4.2/9028=9, 1.8/11522=8...(7) HB3 LYS 123 + QD1 ILE 3 OK 18 99 - 19 - 4.4/10614=11, 2.9/9015=3 HB2 GLU 128 + QD1 ILE 3 OK 18 65 - 28 - 4.0/9028=9, 3.0/9014=7...(5) HB2 LYS 123 + QD1 ILE 3 OK 15 77 - 19 - 4.4/10614=11, 2.9/9015=3...(4) HG2 MET 121 - QD1 ILE 3 lone 5 100 - 5 - 4590/4595=2, 4.1/9014=2 HB3 LYS 65 - QD1 ILE 3 lone 5 81 - 6 - 4681/4684=2...(3) HB2 LYS 115 - QD1 ILE 3 lone 5 94 - 5 - 3.0/11193=1 HB2 LYS 65 - QD1 ILE 3 lone 5 77 - 6 - 4681/4684=2...(3) HB ILE 15 - QD1 ILE 3 lone 4 99 - 4 - HB3 LYS 115 - QD1 ILE 3 lone 4 77 - 5 - 3.0/11193=1 HB2 LEU 81 - QD1 ILE 3 lone 3 100 - 3 - 4681/4684=2 HB2 LEU 45 - QD1 ILE 3 lone 3 77 - 4 - 3.0/9016=1 HB2 LYS 39 - QD1 ILE 3 lone 2 77 - 2 - 4.0/217=1 HB2 LYS 43 - QD1 ILE 3 lone 2 87 - 2 - HB3 LYS 17 - QD1 ILE 3 lone 1 100 - 1 - HB2 LYS 96 - QD1 ILE 3 lone 1 65 - 2 - HB2 LYS 44 - QD1 ILE 3 lone 1 96 - 1 - HB3 LYS 43 - QD1 ILE 3 lone 1 65 - 2 - HB3 LYS 44 - QD1 ILE 3 lone 1 84 - 1 - Peak 10655 from cnoeabs.peaks (2.02, 0.97, 13.48 ppm; 4.42 A): 4 out of 12 assignments used, quality = 0.69: HG3 GLU 128 + QD1 ILE 3 OK 30 96 - 31 - 5.0/9028=11, 3.0/11026=9...(4) HG2 GLU 128 + QD1 ILE 3 OK 30 96 - 31 - 5.0/9028=11, 3.0/11026=9...(4) HB2 MET 1 + QD1 ILE 3 OK 29 96 - 31 - 3.0/9013=17, 3.0/9012=15 HB3 GLU 87 + QD1 ILE 3 OK 12 65 - 19 - 1.8/10656=9, ~11299=5...(4) HB2 GLN 25 - QD1 ILE 3 lone 8 100 - 8 - 11443/4595=5, ~11677=1 HB2 GLU 66 - QD1 ILE 3 poor 7 65 - 11 - 1.8/10656=5, 4.1/9699=3 HB3 GLN 85 - QD1 ILE 3 lone 3 65 - 4 - 3.0/9012=2, 3.0/9012=2 HB3 GLU 111 - QD1 ILE 3 lone 2 100 - 2 - 1.8/10656=1 HB3 GLU 89 - QD1 ILE 3 lone 2 65 - 3 - 3.0/9016=1 HB2 GLU 89 - QD1 ILE 3 lone 2 65 - 3 - 3.0/9016=1 HB2 GLU 48 - QD1 ILE 3 lone 0 65 - 1 - HB3 GLU 48 - QD1 ILE 3 lone 0 65 - 1 - Peak 10656 from cnoeabs.peaks (2.11, 0.97, 13.48 ppm; 4.54 A): 0 out of 15 assignments used, low quality = 0.12: HB2 GLU 87 - QD1 ILE 3 OK 12 77 - 16 - 11299/2.1=5, ~11300=4...(4) HB2 LEU 38 - QD1 ILE 3 lone 8 99 - 8 - 2.9/9014=4, 3.0/9010=2 HB3 GLU 92 - QD1 ILE 3 lone 8 100 - 8 - 4.0/9028=4, 3.0/9015=2 HB3 GLU 66 - QD1 ILE 3 lone 7 73 - 9 - 4.1/9699=3, 1.8/10655=2 HB2 GLU 91 - QD1 ILE 3 lone 6 73 - 8 - 4.6/9028=4, 3.0/9012=3 HB3 GLU 119 - QD1 ILE 3 lone 2 99 - 2 - HB VAL 107 - QD1 ILE 3 lone 2 97 - 2 - HB2 GLU 119 - QD1 ILE 3 lone 2 96 - 2 - HB2 GLU 111 - QD1 ILE 3 lone 2 92 - 2 - HB3 GLU 47 - QD1 ILE 3 lone 1 100 - 1 - HG2 GLU 21 - QD1 ILE 3 lone 1 100 - 1 - HG3 GLU 21 - QD1 ILE 3 lone 1 99 - 1 - HG3 GLN 83 - QD1 ILE 3 lone 1 96 - 1 - HB2 GLU 21 - QD1 ILE 3 lone 1 97 - 1 - HG2 GLU 52 - QD1 ILE 3 lone 1 94 - 1 - Peak 10657 from cnoeabs.peaks (7.87, 0.97, 13.48 ppm; 6.20 A): 2 out of 4 assignments used, quality = 0.70: H LEU 127 + QD1 ILE 3 OK 53 92 - 58 - 4.6/9028=24...(7) H SER 126 + QD1 ILE 3 OK 37 90 - 41 - 10640/9010=9...(8) H ASP 60 - QD1 ILE 3 lone 3 77 - 4 - HD21 ASN 88 - QD1 ILE 3 lone 2 65 - 3 - Peak 10660 from cnoeabs.peaks (7.35, 1.82, 40.10 ppm; 6.20 A): 2 out of 4 assignments used, quality = 0.89: HD22 ASN 11 + HB2 LEU 14 OK 68 70 - 98 - 3.5/9166=25...(23) HD21 ASN 11 + HB2 LEU 14 OK 64 65 - 98 - 3.5/9166=25...(23) H TYR 76 - HB2 LEU 14 lone 3 81 - 4 - HD21 ASN 8 - HB2 LEU 14 lone 1 73 - 2 - Peak 10661 from cnoeabs.peaks (5.16, 1.08, 17.85 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.78: HA VAL 78 + QG2 ILE 3 OK 78 97 - 80 - 10668=41, 9041/4.4=38...(7) Peak 10662 from cnoeabs.peaks (5.46, 1.08, 17.85 ppm; 5.68 A): 1 out of 1 assignment used, quality = 0.94: HA LEU 4 + QG2 ILE 3 OK 94 100 - 94 - 2.9/7305=47, 9046=30...(14) Peak 10666 from cnoeabs.peaks (4.83, 5.17, 60.23 ppm; 6.20 A): 3 out of 3 assignments used, quality = 0.93: HA ILE 3 + HA VAL 78 OK 77 98 - 78 - 3.6/9041=43...(6) HA ILE 5 + HA VAL 78 OK 65 100 - 65 - 9894/3.6=26...(9) HA ILE 54 + HA VAL 78 OK 12 80 - 15 - 9894/3.6=6, 11377/3.2=3 Peak 10667 from cnoeabs.peaks (1.42, 5.17, 60.23 ppm; 4.86 A): 3 out of 11 assignments used, quality = 0.79: HB3 LEU 4 + HA VAL 78 OK 51 73 - 70 - 3.8/9041=31, 1.8/9042=12...(11) HB2 LEU 4 + HA VAL 78 OK 51 73 - 70 - 3.8/9041=31, 1.8/9042=12...(11) HB3 LEU 63 + HA VAL 78 OK 13 99 - 13 - ~10960=3, ~10958=2...(6) HG2 LYS 96 - HA VAL 78 poor 9 61 - 15 - ~1516=3, ~7799=2...(6) QB ALA 113 - HA VAL 78 lone 6 89 - 6 - 10421/3.2=3, 10419/3.2=1 HG12 ILE 56 - HA VAL 78 lone 2 98 - 2 - HG3 LYS 44 - HA VAL 78 lone 2 69 - 3 - HB3 GLN 83 - HA VAL 78 lone 2 100 - 2 - HG3 LYS 17 - HA VAL 78 lone 1 95 - 1 - HG3 LYS 106 - HA VAL 78 lone 1 61 - 2 - HB3 LYS 61 - HA VAL 78 lone 1 89 - 1 - Peak 10668 from cnoeabs.peaks (1.07, 5.17, 60.23 ppm; 6.10 A): 1 out of 3 assignments used, quality = 0.79: QG2 ILE 3 + HA VAL 78 OK 79 97 - 81 - 10661=43, 4.4/9041=39...(7) HG2 LYS 53 - HA VAL 78 lone 5 69 - 7 - ~9864=2, 4/9041=1 HG2 LYS 2 - HA VAL 78 lone 3 100 - 3 - Peak 10670 from cnoeabs.peaks (5.53, 1.51, 44.53 ppm; 5.89 A): 1 out of 1 assignment used, quality = 0.73: HA LEU 80 + HB2 LEU 6 OK 73 84 - 87 - 10671/1.8=45...(8) Peak 10671 from cnoeabs.peaks (5.54, 1.46, 44.53 ppm; 5.37 A): 1 out of 1 assignment used, quality = 0.83: HA LEU 80 + HB3 LEU 6 OK 83 96 - 86 - 9067/3.1=40, 9065/3.9=38...(9) Peak 10673 from cnoeabs.peaks (8.63, 4.91, 53.13 ppm; 4.84 A): 2 out of 3 assignments used, quality = 0.81: H ASN 8 + HA LEU 82 OK 78 99 - 79 - 9094=30, 9989/3.6=29...(8) H GLU 87 + HA LEU 82 OK 14 84 - 16 - 4.6/11177=11...(3) H GLN 85 - HA LEU 82 lone 3 87 - 4 - 10029/11100=2 Peak 10675 from cnoeabs.peaks (5.04, 4.50, 54.38 ppm; 4.67 A): 1 out of 2 assignments used, quality = 0.74: HA VAL 29 + HA GLN 28 OK 74 100 - 74 - 3.0/158=46, 3.2/9239=24...(6) HA ILE 56 - HA GLN 28 lone 1 81 - 1 - Peak 10679 from cnoeabs.peaks (5.11, 5.01, 56.73 ppm; 4.71 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10680 from cnoeabs.peaks (9.14, 5.06, 59.11 ppm; 4.21 A): 1 out of 1 assignment used, quality = 0.60: H ARG 30 + HA ILE 56 OK 60 97 - 62 - 11361/3.6=25...(9) Peak 10681 from cnoeabs.peaks (8.80, 5.46, 53.34 ppm; 4.62 A): 1 out of 5 assignments used, quality = 0.85: * H ILE 54 + HA LEU 4 OK 85 100 - 85 - 9485=50, 3.9/9486=24...(12) H LYS 106 - HA LEU 4 lone 3 100 - 3 - 10281/3.8=1 H ILE 18 - HA LEU 4 lone 3 61 - 4 - H ASN 59 - HA LEU 4 lone 2 92 - 3 - H SER 58 - HA LEU 4 lone 2 98 - 2 - Peak 10682 from cnoeabs.peaks (8.59, 5.23, 59.28 ppm; 4.39 A): 2 out of 7 assignments used, quality = 0.85: H LEU 80 + HA VAL 104 OK 77 97 - 80 - 9926=48, 3.8/10815=26...(6) H LYS 94 + HA VAL 104 OK 31 87 - 36 - ~10236=15, 10098/3.0=6...(8) H THR 108 - HA VAL 104 lone 2 92 - 2 - H ILE 71 - HA VAL 104 lone 1 99 - 1 - H ALA 124 - HA VAL 104 lone 1 97 - 1 - H LYS 49 - HA VAL 104 lone 1 84 - 1 - H ASP 12 - HA VAL 104 lone 1 96 - 1 - Peak 10683 from cnoeabs.peaks (8.54, 5.21, 53.37 ppm; 4.07 A): 2 out of 4 assignments used, quality = 0.81: H ILE 57 + HA ASP 31 OK 77 100 - 77 - 9570=49, 4.0/9569=22...(6) H LYS 19 + HA ASP 31 OK 18 94 - 19 - 11348/3.6=6, 4502/9569=3...(6) H VAL 107 - HA ASP 31 lone 3 81 - 3 - 11348/3.6=2 H ASN 88 - HA ASP 31 lone 2 81 - 2 - Peak 10684 from cnoeabs.peaks (8.21, 4.78, 62.22 ppm; 5.79 A): 3 out of 4 assignments used, quality = 0.84: H ASP 84 + HA THR 108 OK 80 97 - 83 - 10023=42, 11403/2.9=29...(10) H GLU 111 + HA THR 108 OK 12 100 - 12 - 10336/3.2=7, 7731/10000=1 H GLU 89 + HA THR 108 OK 10 94 - 11 - 1932/3.6=5, 10336/3.2=4 H LEU 38 - HA THR 108 lone 8 94 - 8 - 10336/3.2=4...(3) Peak 10686 from cnoeabs.peaks (8.71, 5.27, 53.06 ppm; 4.90 A): 1 out of 5 assignments used, quality = 0.82: * H ARG 105 + HA LEU 81 OK 82 100 - 82 - 10685=46, 10247/3.6=33...(8) H ASP 110 - HA LEU 81 lone 5 94 - 5 - 10369/10310=1...(3) H ASP 86 - HA LEU 81 lone 2 81 - 3 - 9985/3.6=2 H GLU 41 - HA LEU 81 lone 1 73 - 2 - H ASN 50 - HA LEU 81 lone 1 65 - 1 - Peak 10688 from cnoeabs.peaks (8.32, 4.57, 55.95 ppm; 5.60 A): 0 out of 3 assignments used, low quality = 0.44: ! H GLU 103 - HA PHE 79 OK 44 100 - 44 - 10687=29, 4.0/11014=15 H MET 121 - HA PHE 79 lone 9 100 - 9 - 1796/3.0=4, 10590/11380=2 H GLN 28 - HA PHE 79 lone 2 57 - 4 - Peak 10689 from cnoeabs.peaks (1.46, 5.17, 60.23 ppm; 5.03 A): 4 out of 16 assignments used, quality = 0.96: HG12 ILE 7 + HA VAL 78 OK 67 99 - 67 - 11580/3.2=21, ~11581=16...(15) HG LEU 4 + HA VAL 78 OK 61 99 - 62 - 5.3/9041=24...(10) HB2 LEU 4 + HA VAL 78 OK 46 65 - 71 - 3.8/9041=33...(10) HB3 LEU 4 + HA VAL 78 OK 46 65 - 71 - 3.8/9041=33...(10) HB3 LEU 6 - HA VAL 78 OK 44 100 - 45 - 3.9/10669=13, ~11566=10...(10) HG LEU 80 - HA VAL 78 OK 39 80 - 48 - ~9920=18, ~9864=15...(6) HG2 LYS 96 - HA VAL 78 OK 14 77 - 18 - ~1516=3, ~7799=3...(7) HG2 LYS 39 - HA VAL 78 OK 12 100 - 11 - 3588/3.0=3, ~3598=2 HB3 LEU 38 - HA VAL 78 OK 11 98 - 11 - ~7470=2, ~10988=2...(5) HG12 ILE 57 - HA VAL 78 lone 6 99 - 6 - 11388/9954=1, 11389/9955=1 HG3 ARG 30 - HA VAL 78 lone 5 100 - 5 - HG2 LYS 106 - HA VAL 78 lone 4 99 - 4 - HG3 LYS 44 - HA VAL 78 lone 3 69 - 4 - HG3 LYS 49 - HA VAL 78 lone 2 100 - 2 - HG2 LYS 49 - HA VAL 78 lone 2 100 - 2 - HB2 LEU 74 - HA VAL 78 lone 1 89 - 2 - Peak 10690 from cnoeabs.peaks (8.40, 4.83, 60.54 ppm; 3.64 A): 0 out of 4 assignments used, low quality = 0.00: H ASP 31 - HA ILE 5 lone 2 61 - 3 - 9070/3.6=1, 172/3.0=1 H ASP 36 - HA ILE 5 lone 2 96 - 2 - H MET 67 - HA ILE 5 lone 1 100 - 1 - H LYS 123 - HA ILE 5 lone 1 99 - 1 - Peak 10692 from cnoeabs.peaks (1.07, 4.14, 54.65 ppm; 4.23 A): 1 out of 2 assignments used, quality = 0.79: QG2 ILE 3 + HA ALA 124 OK 79 92 - 86 - 10617/2.1=40...(10) HG2 LYS 2 - HA ALA 124 lone 7 100 - 7 - 10617/2.1=4, ~10618=1 Peak 10693 from cnoeabs.peaks (4.12, 4.12, 54.50 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HA MET 1 + HA MET 1 OK 100 100 - 100 Peak 10694 from cnoeabs.peaks (2.43, 2.60, 30.98 ppm; 2.64 A): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 1 + HG3 MET 1 OK 100 100 - 100 - 1.8=100 Peak 10695 from cnoeabs.peaks (2.43, 2.43, 30.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG2 MET 1 + HG2 MET 1 OK 100 100 - 100 Peak 10696 from cnoeabs.peaks (2.60, 2.60, 30.98 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 MET 1 + HG3 MET 1 OK 100 100 - 100 Peak 10697 from cnoeabs.peaks (2.59, 4.12, 54.50 ppm; 5.34 A): 1 out of 1 assignment used, quality = 0.81: HG3 MET 1 + HA MET 1 OK 81 81 - 100 - 3.9=100 Peak 10698 from cnoeabs.peaks (2.43, 4.12, 54.50 ppm; 4.64 A): 1 out of 1 assignment used, quality = 1.00: HG2 MET 1 + HA MET 1 OK 100 100 - 100 - 3.9=100 Peak 10699 from cnoeabs.peaks (2.19, 4.12, 54.50 ppm; 4.01 A): 1 out of 1 assignment used, quality = 0.99: HB3 MET 1 + HA MET 1 OK 99 99 - 100 - 3.0=100 Peak 10700 from cnoeabs.peaks (2.02, 4.12, 54.50 ppm; 4.51 A): 1 out of 1 assignment used, quality = 0.90: HB2 MET 1 + HA MET 1 OK 90 90 - 100 - 3.0=100 Peak 10701 from cnoeabs.peaks (2.21, 2.60, 30.98 ppm; 3.81 A): 1 out of 1 assignment used, quality = 0.90: HB3 MET 1 + HG3 MET 1 OK 90 90 - 100 - 3.0=100 Peak 10702 from cnoeabs.peaks (2.04, 2.60, 30.98 ppm; 3.70 A): 1 out of 1 assignment used, quality = 0.97: HB2 MET 1 + HG3 MET 1 OK 97 97 - 100 - 3.0=100 Peak 10703 from cnoeabs.peaks (2.60, 2.43, 30.98 ppm; 2.65 A): 1 out of 1 assignment used, quality = 1.00: HG3 MET 1 + HG2 MET 1 OK 100 100 - 100 - 1.8=100 Peak 10704 from cnoeabs.peaks (2.20, 2.43, 30.98 ppm; 3.88 A): 1 out of 1 assignment used, quality = 1.00: HB3 MET 1 + HG2 MET 1 OK 100 100 - 100 - 3.0=100 Peak 10705 from cnoeabs.peaks (2.02, 2.43, 30.98 ppm; 3.91 A): 1 out of 1 assignment used, quality = 0.99: HB2 MET 1 + HG2 MET 1 OK 99 99 - 100 - 3.0=100 Peak 10706 from cnoeabs.peaks (4.12, 2.43, 30.98 ppm; 4.59 A): 1 out of 1 assignment used, quality = 0.99: HA MET 1 + HG2 MET 1 OK 99 99 - 100 - 3.9=100 Peak 10707 from cnoeabs.peaks (4.12, 2.60, 30.98 ppm; 4.74 A): 1 out of 1 assignment used, quality = 1.00: HA MET 1 + HG3 MET 1 OK 100 100 - 100 - 3.9=100 Peak 10708 from cnoeabs.peaks (4.12, 2.20, 33.17 ppm; 4.18 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 1 + HB3 MET 1 OK 100 100 - 100 - 3.0=100 Peak 10709 from cnoeabs.peaks (4.12, 2.03, 33.17 ppm; 4.26 A): 1 out of 1 assignment used, quality = 1.00: * HA MET 1 + HB2 MET 1 OK 100 100 - 100 - 3.0=100 Peak 10710 from cnoeabs.peaks (2.59, 2.20, 33.17 ppm; 3.96 A): 1 out of 1 assignment used, quality = 0.89: HG3 MET 1 + HB3 MET 1 OK 89 89 - 100 - 3.0=100 Peak 10711 from cnoeabs.peaks (2.42, 2.20, 33.17 ppm; 3.47 A): 1 out of 1 assignment used, quality = 0.97: HG2 MET 1 + HB3 MET 1 OK 97 97 - 100 - 3.0=100 Peak 10712 from cnoeabs.peaks (2.02, 2.20, 33.17 ppm; 2.84 A): 1 out of 1 assignment used, quality = 0.99: HB2 MET 1 + HB3 MET 1 OK 99 99 - 100 - 1.8=100 Peak 10713 from cnoeabs.peaks (2.60, 2.03, 33.17 ppm; 4.02 A): 1 out of 1 assignment used, quality = 0.99: HG3 MET 1 + HB2 MET 1 OK 99 99 - 100 - 3.0=100 Peak 10714 from cnoeabs.peaks (2.43, 2.03, 33.17 ppm; 3.65 A): 1 out of 1 assignment used, quality = 1.00: HG2 MET 1 + HB2 MET 1 OK 100 100 - 100 - 3.0=100 Peak 10715 from cnoeabs.peaks (6.72, 4.12, 54.50 ppm; 5.58 A): 1 out of 3 assignments used, quality = 0.66: QE TYR 76 + HA MET 1 OK 66 100 - 66 - 2.2/10720=43, 4606=29...(4) QE TYR 102 - HA MET 1 lone 6 100 - 6 - 10202=3 QD PHE 79 - HA MET 1 lone 2 100 - 2 - Peak 10716 from cnoeabs.peaks (7.13, 2.60, 30.98 ppm; 5.24 A): 3 out of 3 assignments used, quality = 0.72: QD PHE 51 + HG3 MET 1 OK 59 100 - 60 - 4599/3.0=31...(3) QE PHE 93 + HG3 MET 1 OK 19 94 - 20 - 10717/1.8=9, 10719/3.0=6 QE PHE 120 + HG3 MET 1 OK 16 92 - 17 - 10717/1.8=7, 10719/3.0=5 Peak 10717 from cnoeabs.peaks (7.13, 2.43, 30.98 ppm; 4.76 A): 3 out of 3 assignments used, quality = 0.63: QD PHE 51 + HG2 MET 1 OK 51 100 - 51 - 4599/3.0=27...(3) QE PHE 93 + HG2 MET 1 OK 15 94 - 16 - 10716/1.8=7, 10719/3.0=5 QE PHE 120 + HG2 MET 1 OK 13 92 - 14 - 10716/1.8=6, 10719/3.0=4 Peak 10718 from cnoeabs.peaks (7.12, 2.20, 33.17 ppm; 5.90 A): 3 out of 6 assignments used, quality = 0.76: QD PHE 51 + HB3 MET 1 OK 65 100 - 66 - 4599/1.8=36...(3) QE PHE 93 + HB3 MET 1 OK 18 77 - 24 - 10717/3.0=8, 10719/1.8=8 QE PHE 120 + HB3 MET 1 OK 15 73 - 20 - 10717/3.0=7, 10719/1.8=7 QD PHE 51 - HB2 MET 67 lone 1 58 - 3 - QE PHE 120 - HB2 MET 67 lone 1 36 - 4 - QE PHE 93 - HB2 MET 67 lone 1 38 - 2 - Peak 10719 from cnoeabs.peaks (7.12, 2.03, 33.17 ppm; 4.93 A): 3 out of 3 assignments used, quality = 0.76: QD PHE 51 + HB2 MET 1 OK 67 100 - 68 - 4599=37, 10717/3.0=22...(4) QE PHE 93 + HB2 MET 1 OK 16 87 - 18 - 10717/3.0=7, 10716/3.0=6 QE PHE 120 + HB2 MET 1 OK 13 84 - 15 - 10717/3.0=6, 10716/3.0=5 Peak 10720 from cnoeabs.peaks (6.85, 4.12, 54.50 ppm; 5.19 A): 0 out of 1 assignment used, low quality = 0.41: QD TYR 76 - HA MET 1 OK 41 100 - 41 - 2.2/10715=30, ~4573=7...(5) Peak 10721 from cnoeabs.peaks (7.78, 4.12, 54.50 ppm; 4.58 A): 0 out of 2 assignments used, low quality = 0.24: H LYS 40 - HA MET 1 OK 15 100 - 16 - 10723/3.0=12, 7476/10935=1 H LYS 96 - HA MET 1 OK 10 98 - 11 - 10723/3.0=9 Peak 10723 from cnoeabs.peaks (7.79, 2.03, 33.17 ppm; 5.64 A): 0 out of 3 assignments used, low quality = 0.39: H LYS 40 - HB2 MET 1 OK 25 97 - 26 - 10721/3.0=25 H LYS 96 - HB2 MET 1 OK 19 100 - 19 - 10721/3.0=17 H GLU 66 - HB2 MET 1 lone 3 70 - 4 - Peak 10728 from cnoeabs.peaks (4.83, 0.64, 25.46 ppm; 5.29 A): 3 out of 3 assignments used, quality = 0.94: HA ILE 5 + QD1 LEU 4 OK 77 98 - 79 - 3.0/7313=33, ~14=15...(15) HA ILE 54 + QD1 LEU 4 OK 49 61 - 80 - 4.1/11235=24...(14) HA ILE 3 + QD1 LEU 4 OK 47 100 - 47 - 3.6/2388=37, 3.2/9009=8...(4) Peak 10732 from cnoeabs.peaks (2.65, 0.64, 25.46 ppm; 4.75 A): 3 out of 8 assignments used, quality = 0.91: HB2 TYR 76 + QD1 LEU 4 OK 87 94 - 92 - 2.5/9037=44, 1.8/9045=35...(16) HG2 MET 42 + QD1 LEU 4 OK 21 100 - 21 - 3.3/10736=8, ~9432=4...(6) HB2 TYR 27 + QD1 LEU 4 OK 18 96 - 19 - 9214=5, 4.2/9237=3...(7) HB2 ASP 12 - QD1 LEU 4 lone 2 84 - 3 - HB3 ASP 12 - QD1 LEU 4 lone 2 84 - 3 - HB3 ASP 36 - QD1 LEU 4 lone 2 97 - 2 - HB3 ASP 84 - QD1 LEU 4 lone 1 94 - 1 - HE3 LYS 61 - QD1 LEU 4 lone 1 61 - 2 - Peak 10734 from cnoeabs.peaks (1.68, 0.68, 25.98 ppm; 3.49 A): 5 out of 38 assignments used, quality = 0.78: HB ILE 54 + QD2 LEU 4 OK 58 100 - 58 - 9486/3.8=15...(13) HB ILE 56 + QD1 LEU 55 OK 18 49 - 37 - 9537/4.0=10, 4.0/336=9...(10) HD2 LYS 17 + QD2 LEU 4 OK 16 100 - 16 - 10735/2.1=3, 10919=3...(7) HB ILE 56 + QD2 LEU 4 OK 12 96 - 13 - 10735/2.1=2, 4.0/336=2...(5) HB ILE 54 + QD1 LEU 55 OK 12 55 - 22 - 4.4/1360=7, ~9514=6...(4) HD3 LYS 20 - QD2 LEU 4 lone 9 98 - 9 - 10735/2.1=2, 3.4/10737=2...(4) HD2 LYS 20 - QD2 LEU 4 lone 9 97 - 9 - 10735/2.1=2, 3.4/10737=2...(4) HG12 ILE 71 - QD2 LEU 4 poor 9 84 - 11 - 10735/2.1=2, ~5089=2...(5) HD2 LYS 16 - QD2 LEU 4 lone 5 99 - 5 - 10735/2.1=1, 3.6/10737=1 HD3 LYS 16 - QD2 LEU 4 lone 5 96 - 5 - 10735/2.1=1, 3.6/10737=1 HG3 ARG 95 - QD2 LEU 4 lone 3 99 - 3 - HD2 LYS 17 - QD1 LEU 55 lone 3 55 - 5 - HD3 LYS 73 - QD2 LEU 4 lone 2 100 - 2 - HD2 LYS 73 - QD2 LEU 4 lone 2 99 - 2 - HD2 LYS 96 - QD2 LEU 4 lone 2 100 - 2 - HD3 LYS 96 - QD2 LEU 4 lone 2 100 - 2 - HD2 LYS 43 - QD2 LEU 4 lone 1 100 - 1 - HD3 LYS 43 - QD2 LEU 4 lone 1 100 - 1 - HD2 LYS 40 - QD2 LEU 4 lone 1 100 - 1 - HD3 LYS 40 - QD2 LEU 4 lone 1 100 - 1 - HD3 LYS 20 - QD1 LEU 55 lone 1 52 - 2 - HD2 LYS 20 - QD1 LEU 55 lone 1 51 - 2 - HG12 ILE 71 - QD1 LEU 55 lone 1 40 - 1 - HD2 LYS 96 - QD1 LEU 55 lone 1 55 - 1 - HD3 LYS 96 - QD1 LEU 55 lone 1 55 - 1 - HG3 ARG 95 - QD1 LEU 55 lone 0 53 - 1 - HD3 LYS 73 - QD1 LEU 55 lone 0 55 - 1 - HG3 LYS 123 - QD2 LEU 4 lone 0 65 - 1 - HD2 LYS 73 - QD1 LEU 55 lone 0 54 - 1 - HD2 LYS 16 - QD1 LEU 55 lone 0 53 - 1 - HG3 LYS 39 - QD2 LEU 4 lone 0 65 - 0 - HD3 LYS 16 - QD1 LEU 55 lone 0 49 - 1 - HD3 LYS 40 - QD1 LEU 55 lone 0 55 - 1 - HD2 LYS 40 - QD1 LEU 55 lone 0 55 - 1 - HD3 LYS 43 - QD1 LEU 55 lone 0 55 - 1 - HD2 LYS 43 - QD1 LEU 55 lone 0 55 - 0 - HG3 LYS 123 - QD1 LEU 55 lone 0 29 - 1 - HG3 LYS 39 - QD1 LEU 55 lone 0 29 - 1 - Peak 10735 from cnoeabs.peaks (1.68, 0.64, 25.46 ppm; 3.51 A): 3 out of 19 assignments used, quality = 0.70: HB ILE 54 + QD1 LEU 4 OK 62 100 - 62 - 9486/3.8=15...(13) HD2 LYS 17 + QD1 LEU 4 OK 12 100 - 12 - 10919/2.1=3, 2.9/9045=3...(6) HB ILE 56 + QD1 LEU 4 OK 10 96 - 11 - 10734/2.1=2, 4466=1 HG12 ILE 71 - QD1 LEU 4 poor 10 84 - 12 - 3.2/5089=3, ~9777=2...(4) HD3 LYS 20 - QD1 LEU 4 lone 9 98 - 9 - 10734/2.1=2, 3.4/10736=2...(4) HD2 LYS 20 - QD1 LEU 4 lone 8 97 - 9 - 3.4/10736=2, 3.4/10736=2...(4) HD2 LYS 16 - QD1 LEU 4 lone 6 99 - 6 - 3.6/10736=2, 3.6/10736=2 HD3 LYS 16 - QD1 LEU 4 lone 6 96 - 6 - 3.6/10736=2, 3.6/10736=2 HG3 ARG 95 - QD1 LEU 4 lone 3 99 - 3 - 1.8/10736=1 HD3 LYS 73 - QD1 LEU 4 lone 2 100 - 2 - HD2 LYS 73 - QD1 LEU 4 lone 2 99 - 2 - HD2 LYS 96 - QD1 LEU 4 lone 2 100 - 2 - HD3 LYS 96 - QD1 LEU 4 lone 2 100 - 2 - HD2 LYS 43 - QD1 LEU 4 lone 1 100 - 1 - HD3 LYS 43 - QD1 LEU 4 lone 1 100 - 1 - HD2 LYS 40 - QD1 LEU 4 lone 1 100 - 1 - HD3 LYS 40 - QD1 LEU 4 lone 1 100 - 1 - HG3 LYS 123 - QD1 LEU 4 lone 1 65 - 1 - HG3 LYS 39 - QD1 LEU 4 lone 0 65 - 1 - Peak 10736 from cnoeabs.peaks (1.87, 0.64, 25.46 ppm; 3.88 A): 0 out of 14 assignments used, low quality = 0.38: QE MET 67 - QD1 LEU 4 OK 25 98 - 25 - 10737/2.1=9, 9721/2.1=4...(9) QE MET 42 - QD1 LEU 4 OK 18 96 - 19 - 9432/2.1=6, 9429/2.1=4...(5) HB2 LYS 16 - QD1 LEU 4 lone 7 98 - 7 - 10737/2.1=2, ~10737=1...(5) HB3 LYS 16 - QD1 LEU 4 lone 7 97 - 7 - 10737/2.1=2, ~10737=1...(5) HB3 LYS 20 - QD1 LEU 4 lone 7 73 - 9 - 10737/2.1=3, ~10737=2...(4) HB2 LYS 20 - QD1 LEU 4 lone 7 73 - 9 - 10737/2.1=3, ~10737=2...(4) HG LEU 45 - QD1 LEU 4 lone 3 96 - 3 - 10737/2.1=1 HG2 ARG 95 - QD1 LEU 4 lone 3 100 - 3 - HB ILE 7 - QD1 LEU 4 lone 3 65 - 4 - 3.0/11235=1 HB2 LEU 63 - QD1 LEU 4 lone 2 100 - 2 - HB3 LYS 73 - QD1 LEU 4 lone 2 57 - 4 - HB2 ARG 105 - QD1 LEU 4 lone 1 70 - 1 - HB3 ARG 118 - QD1 LEU 4 lone 1 100 - 1 - HG LEU 127 - QD1 LEU 4 lone 0 73 - 1 - Peak 10737 from cnoeabs.peaks (1.88, 0.68, 25.98 ppm; 3.94 A): 4 out of 32 assignments used, quality = 0.55: QE MET 67 + QD2 LEU 4 OK 33 100 - 33 - 10736/2.1=10, 9726=7...(9) QE MET 42 + QD2 LEU 4 OK 17 87 - 20 - 10736/2.1=7, 9432=5...(5) HB2 LYS 20 + QD2 LEU 4 OK 10 87 - 12 - 10736/2.1=3, ~10736=2...(5) HB3 LYS 20 + QD2 LEU 4 OK 10 87 - 12 - 10736/2.1=3, ~10736=2...(5) HB ILE 71 - QD2 LEU 4 poor 9 65 - 14 - ~5089=4, ~9789=3...(6) HB2 LYS 16 - QD2 LEU 4 lone 7 100 - 7 - 10736/2.1=3, ~10736=2 HB3 LYS 16 - QD2 LEU 4 lone 7 100 - 7 - 10736/2.1=3, ~10736=2 HB ILE 7 - QD1 LEU 55 poor 7 38 - 17 - ~11136=5, ~11617=3...(7) QE MET 67 - QD1 LEU 55 lone 5 55 - 9 - 9725/2.1=2, 4.3/9709=1...(4) HG LEU 45 - QD2 LEU 4 lone 4 99 - 4 - 10736/2.1=1 HG2 ARG 95 - QD2 LEU 4 lone 3 100 - 3 - 10736/2.1=1 HB ILE 7 - QD2 LEU 4 lone 3 81 - 4 - 10736/2.1=1 HB2 LEU 63 - QD2 LEU 4 lone 3 97 - 3 - HB3 LYS 73 - QD2 LEU 4 lone 2 73 - 3 - HB2 LYS 73 - QD2 LEU 4 lone 2 70 - 2 - HB2 ARG 95 - QD2 LEU 4 lone 1 61 - 2 - HB2 LYS 20 - QD1 LEU 55 lone 1 42 - 3 - 4.6/9205=2 HB3 LYS 20 - QD1 LEU 55 lone 1 42 - 3 - 4.6/9205=2 HB3 ARG 118 - QD2 LEU 4 lone 1 97 - 1 - HB2 LEU 63 - QD1 LEU 55 lone 1 51 - 2 - HB3 ARG 118 - QD1 LEU 55 lone 1 51 - 2 - QE MET 42 - QD1 LEU 55 lone 1 42 - 2 - HG2 ARG 95 - QD1 LEU 55 lone 1 55 - 1 - HG LEU 127 - QD2 LEU 4 lone 0 57 - 1 - HG LEU 45 - QD1 LEU 55 lone 0 54 - 1 - HB2 LYS 16 - QD1 LEU 55 lone 0 55 - 1 - HB3 LYS 16 - QD1 LEU 55 lone 0 55 - 1 - HB ILE 71 - QD1 LEU 55 lone 0 29 - 1 - HB3 LYS 73 - QD1 LEU 55 lone 0 34 - 1 - HB2 ARG 95 - QD1 LEU 55 lone 0 27 - 1 - HB2 LYS 73 - QD1 LEU 55 lone 0 32 - 1 - HG LEU 127 - QD1 LEU 55 lone 0 25 - 0 - Peak 10739 from cnoeabs.peaks (1.07, 1.81, 27.65 ppm; 4.90 A): 2 out of 2 assignments used, quality = 0.52: QG2 ILE 3 + HG12 ILE 5 OK 45 92 - 49 - 9007/1.8=14, 9009/2.1=12...(8) HG2 LYS 2 + HG12 ILE 5 OK 13 100 - 13 - 11534/1.8=6, 10740/2.1=2...(4) Peak 10740 from cnoeabs.peaks (1.05, 0.62, 13.41 ppm; 4.03 A): 2 out of 9 assignments used, quality = 0.73: HB2 PHE 79 + QD1 ILE 5 OK 67 87 - 77 - 2.4/4649=13...(20) HB2 PHE 79 + QD1 ILE 54 OK 17 62 - 28 - ~9492=5, 2.4/4649=5...(9) HG2 LYS 2 - QD1 ILE 5 lone 8 81 - 10 - 10739/2.1=4, 11534/2.1=4 HG3 LYS 2 - QD1 ILE 5 lone 6 61 - 9 - ~10739=4, ~11534=3, ~10941=1 HB2 PHE 79 - QD1 ILE 18 lone 5 62 - 7 - 2.4/4649=2, 1.8/11354=1...(4) HG2 LYS 2 - QD1 ILE 54 lone 2 56 - 3 - ~11708=1 HG3 LYS 2 - QD1 ILE 54 lone 1 41 - 3 - ~11708=1 HG2 LYS 2 - QD1 ILE 18 lone 0 56 - 1 - HG3 LYS 2 - QD1 ILE 18 lone 0 41 - 1 - Peak 10741 from cnoeabs.peaks (4.73, 0.84, 17.12 ppm; 5.67 A): 2 out of 8 assignments used, quality = 0.47: HA THR 9 + QG2 ILE 15 OK 39 91 - 43 - ~11097=18, ~9116=14...(4) HA THR 9 + QG2 ILE 5 OK 13 98 - 13 - ~9118=3, ~10975=3, 9495/3.0=3 HA ARG 30 - QG2 ILE 5 lone 5 97 - 5 - 9495/3.0=1 HA ASP 109 - QG2 ILE 15 lone 5 92 - 5 - HA ASP 109 - QG2 ILE 5 lone 3 99 - 3 - HA ARG 30 - QG2 ILE 15 lone 3 90 - 3 - HA ASN 24 - QG2 ILE 5 lone 2 73 - 3 - 9495/3.0=1 HA ASN 24 - QG2 ILE 15 lone 1 65 - 2 - Peak 10742 from cnoeabs.peaks (5.15, 0.71, 25.51 ppm; 4.54 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10743 from cnoeabs.peaks (3.92, 0.73, 25.37 ppm; 4.19 A): 7 out of 10 assignments used, quality = 0.95: HA LEU 38 + QD1 LEU 63 OK 51 81 - 63 - 9680/2.1=16, ~10957=13...(12) HA LEU 64 + QD1 LEU 63 OK 48 74 - 65 - 2.9/390=19, 9680/2.1=13...(16) HA LEU 38 + QD2 LEU 6 OK 35 99 - 36 - 3.0/10986=6, 3520/2.1=6...(14) HB2 SER 35 + QD1 LEU 63 OK 33 83 - 40 - 10797/2.1=13, ~11048=10...(6) HA LEU 64 + QD2 LEU 6 OK 33 94 - 35 - 2.9/390=6, 10961/2.1=5...(13) HB2 SER 35 + QD2 LEU 6 OK 20 100 - 20 - 10797/2.1=6, ~9338=4...(6) HA MET 121 + QD2 LEU 6 OK 11 77 - 14 - 2.9/10589=4, 8304/3.1=2...(6) HA GLU 128 - QD1 LEU 63 lone 5 76 - 6 - 9680/2.1=1 HA GLU 128 - QD2 LEU 6 lone 4 96 - 4 - HA MET 121 - QD1 LEU 63 lone 3 58 - 4 - 2.9/10589=2 Peak 10745 from cnoeabs.peaks (0.84, 5.18, 58.22 ppm; 5.06 A): 6 out of 8 assignments used, quality = 0.95: QG2 ILE 57 + HA ILE 7 OK 62 99 - 63 - ~9581=18, 3.2/9079=15...(14) HG13 ILE 57 + HA ILE 7 OK 44 81 - 55 - ~9581=21, 4.2/9079=13...(11) QG2 ILE 5 + HA ILE 7 OK 43 99 - 44 - 10941/3.8=14...(11) QG2 THR 9 + HA ILE 7 OK 33 65 - 51 - ~9082=19, ~9108=12...(8) HG13 ILE 5 + HA ILE 7 OK 23 100 - 23 - ~11582=7, ~10672=4...(6) QG2 ILE 15 + HA ILE 7 OK 13 100 - 13 - 10941/3.8=3, 10672/3.0=3...(5) QD1 LEU 14 - HA ILE 7 lone 6 81 - 7 - 10672/3.0=1 QG2 VAL 22 - HA ILE 7 lone 5 94 - 5 - 11118/3.2=1, 10672/3.0=1 Peak 10750 from cnoeabs.peaks (4.73, 5.90, 51.10 ppm; 5.67 A): 2 out of 5 assignments used, quality = 0.74: HA THR 9 + HA ASN 8 OK 59 84 - 70 - 3.0/37=40, 3.2/9123=30...(5) HA ASN 59 + HA ASN 8 OK 36 77 - 47 - 9097/4.5=23, 9096/4.5=18 HA ASN 24 - HA ASN 8 lone 5 94 - 5 - 9097/4.5=2, 9096/4.5=2 HA ASP 109 - HA ASN 8 lone 2 87 - 3 - ~10344=1 HA ARG 30 - HA ASN 8 lone 1 81 - 2 - Peak 10751 from cnoeabs.peaks (4.91, 2.89, 42.58 ppm; 4.66 A): 2 out of 6 assignments used, quality = 0.78: HA LEU 82 + HB2 ASN 8 OK 74 99 - 75 - 3.9/9971=28...(6) HA ILE 57 + HB2 ASN 8 OK 17 98 - 17 - 9094/4.0=9, 9095/1.8=6 HA ARG 105 - HB2 ASN 8 lone 6 94 - 7 - 9094/4.0=2, 9095/1.8=2 HA LEU 82 - HE3 LYS 2 lone 2 73 - 2 - HA ILE 57 - HE3 LYS 2 lone 1 72 - 1 - HA ARG 105 - HE3 LYS 2 lone 1 66 - 1 - Peak 10755 from cnoeabs.peaks (1.43, 0.86, 19.21 ppm; 4.49 A): 2 out of 11 assignments used, quality = 0.86: HB3 GLN 83 + QG2 THR 9 OK 82 94 - 87 - ~9995=25, ~9110=25...(13) HB3 LEU 63 + QG2 THR 9 OK 21 100 - 21 - 9109/2.1=5, 3.1/9117=5...(7) HB2 LEU 4 - QG2 THR 9 lone 8 96 - 8 - 3.1/9118=2, 9109/2.1=2...(4) HB3 LEU 4 - QG2 THR 9 lone 8 96 - 8 - 3.1/9118=2, 9109/2.1=2...(4) QB ALA 113 - QG2 THR 9 poor 7 61 - 11 - 3.7/10442=1, 10398/9125=1 HG3 LYS 17 - QG2 THR 9 lone 6 100 - 6 - 9109/2.1=1 HG3 LYS 44 - QG2 THR 9 lone 6 94 - 6 - 2.9/9115=1, 2.9/9116=1 HG12 ILE 56 - QG2 THR 9 lone 4 100 - 4 - HG2 LYS 96 - QG2 THR 9 lone 3 90 - 3 - HB3 LYS 61 - QG2 THR 9 lone 1 100 - 1 - HG LEU 80 - QG2 THR 9 lone 1 87 - 1 - Peak 10756 from cnoeabs.peaks (1.38, 0.86, 19.21 ppm; 4.89 A): 1 out of 6 assignments used, quality = 0.49: HG LEU 14 + QG2 THR 9 OK 49 100 - 49 - ~11006=24, 3.0/10975=13...(8) HG3 LYS 43 - QG2 THR 9 lone 4 98 - 4 - HB3 LEU 68 - QG2 THR 9 lone 3 99 - 3 - 4.0/9757=2 HG2 LYS 94 - QG2 THR 9 lone 3 97 - 3 - 3.8/11098=1 HB3 LEU 81 - QG2 THR 9 lone 3 57 - 5 - 3.0/11639=1, 11624/11618=1 HG2 LYS 40 - QG2 THR 9 lone 2 100 - 2 - Peak 10757 from cnoeabs.peaks (2.22, 0.86, 19.21 ppm; 5.97 A): 1 out of 7 assignments used, quality = 0.97: HB2 GLN 83 + QG2 THR 9 OK 97 99 - 98 - 9110/2.1=43, 9992/3.0=43...(14) HB2 MET 67 - QG2 THR 9 OK 14 81 - 18 - 3.0/9712=3, 4.3/9115=3...(7) HB2 GLN 100 - QG2 THR 9 OK 10 97 - 10 - 9110/2.1=3, 9130/4.0=3...(4) HG3 GLN 28 - QG2 THR 9 lone 4 77 - 5 - HB2 GLU 69 - QG2 THR 9 lone 2 73 - 3 - HG2 GLU 48 - QG2 THR 9 lone 2 77 - 3 - HB3 MET 1 - QG2 THR 9 lone 1 61 - 2 - Peak 10760 from cnoeabs.peaks (8.25, 3.03, 38.35 ppm; 5.14 A): 1 out of 2 assignments used, quality = 0.45: H ILE 15 + HB2 ASN 11 OK 45 81 - 56 - 4.6/9136=22, 4.6/9167=16...(8) H GLU 112 - HB2 ASN 11 lone 4 65 - 6 - 7358/9170=1, 1863/9136=1 Peak 10763 from cnoeabs.peaks (4.03, 2.64, 41.16 ppm; 5.21 A): 2 out of 24 assignments used, quality = 0.89: HA GLU 13 + HB3 ASP 12 OK 67 98 - 68 - 3.0/60=23, ~61=18...(6) HA GLU 13 + HB2 ASP 12 OK 67 98 - 68 - 3.0/60=23, ~61=18...(6) HA PHE 120 - HB2 ASP 12 lone 2 92 - 2 - HA PHE 120 - HB3 ASP 12 lone 2 92 - 2 - HA LYS 123 - HB3 ASP 12 lone 2 97 - 2 - HA LYS 123 - HB2 ASP 12 lone 2 97 - 2 - HA LYS 40 - HB2 ASP 12 lone 1 92 - 1 - HA LYS 40 - HB3 ASP 12 lone 1 92 - 1 - HA GLU 87 - HB3 ASP 12 lone 1 100 - 1 - HA GLU 87 - HB2 ASP 12 lone 1 100 - 1 - HA GLU 119 - HB2 ASP 12 lone 1 99 - 1 - HA GLU 119 - HB3 ASP 12 lone 1 99 - 1 - HA GLU 92 - HB2 ASP 12 lone 1 100 - 1 - HA GLU 92 - HB3 ASP 12 lone 1 100 - 1 - HA GLU 66 - HB2 ASP 12 lone 1 98 - 1 - HA GLU 66 - HB3 ASP 12 lone 1 98 - 1 - HB3 SER 126 - HB2 ASP 12 lone 1 100 - 1 - HB3 SER 126 - HB3 ASP 12 lone 1 100 - 1 - HB2 SER 126 - HB2 ASP 12 lone 1 94 - 1 - HB2 SER 126 - HB3 ASP 12 lone 1 94 - 1 - HA SER 35 - HB2 ASP 12 lone 1 81 - 1 - HA SER 35 - HB3 ASP 12 lone 1 81 - 1 - HA2 GLY 125 - HB3 ASP 12 lone 1 57 - 1 - HA2 GLY 125 - HB2 ASP 12 lone 1 57 - 1 - Peak 10769 from cnoeabs.peaks (2.85, 3.98, 57.26 ppm; 5.80 A): 1 out of 5 assignments used, quality = 0.76: HE2 LYS 17 + HA LEU 14 OK 76 98 - 78 - 4.9/7977=27, 2.9/2861=16...(10) HB3 TYR 76 - HA LEU 14 lone 8 98 - 8 - 4.4/11313=5, ~4611=1 HB3 ASN 59 - HA LEU 14 lone 4 73 - 6 - 9621/4.0=2, ~9166=1, 4.0/7981=1 HB2 ASN 88 - HA LEU 14 lone 2 99 - 2 - HB2 ASP 36 - HA LEU 14 lone 1 87 - 2 - Peak 10770 from cnoeabs.peaks (2.75, 1.50, 40.10 ppm; 6.20 A): 1 out of 7 assignments used, quality = 0.97: HB3 ASN 11 + HB3 LEU 14 OK 97 100 - 97 - 1.8/9167=32, 9135/4.0=31...(18) HG3 GLU 37 - HB3 LEU 14 OK 22 70 - 32 - 10771/1.8=8, ~9363=5...(9) HB3 ASP 109 - HB3 LEU 14 OK 17 73 - 23 - ~10360=7, 10771/1.8=6...(5) HG3 MET 42 - HB3 LEU 14 poor 9 73 - 13 - 5.0/9411=4, 3.9/8080=3...(5) HB3 TYR 102 - HB3 LEU 14 lone 7 98 - 7 - 10771/1.8=1 HB2 ASP 60 - HB3 LEU 14 lone 3 92 - 3 - HE2 LYS 2 - HB3 LEU 14 lone 2 84 - 2 - Peak 10771 from cnoeabs.peaks (2.74, 1.82, 40.10 ppm; 5.70 A): 1 out of 5 assignments used, quality = 0.95: HB3 ASN 11 + HB2 LEU 14 OK 95 98 - 97 - 1.8/9166=28, 9135/4.0=26...(20) HG3 GLU 37 - HB2 LEU 14 OK 27 92 - 30 - 9368/3.1=6, 9158/4.0=5...(9) HB3 ASP 109 - HB2 LEU 14 OK 21 94 - 22 - 10364/3.1=7, ~10360=6...(5) HB3 TYR 102 - HB2 LEU 14 lone 5 84 - 5 - 10770/1.8=1 HB2 ASP 60 - HB2 LEU 14 lone 3 100 - 3 - Peak 10772 from cnoeabs.peaks (7.35, 1.50, 40.10 ppm; 6.20 A): 2 out of 3 assignments used, quality = 0.96: HD22 ASN 11 + HB3 LEU 14 OK 82 84 - 98 - 3.5/9167=26...(22) HD21 ASN 11 + HB3 LEU 14 OK 79 81 - 98 - 3.5/9167=26...(22) H TYR 76 - HB3 LEU 14 lone 3 65 - 5 - 4.4/4611=1 Peak 10773 from cnoeabs.peaks (0.71, 3.22, 66.59 ppm; 3.86 A): 2 out of 9 assignments used, quality = 0.69: QD1 ILE 57 + HA ILE 15 OK 45 100 - 45 - 9559=22, 3.0/11687=7...(11) QG2 ILE 18 + HA ILE 15 OK 43 92 - 47 - 2.1/7985=14, 4.0/7983=13...(9) QG1 VAL 117 - HA ILE 15 poor 9 84 - 10 - 3.2/8276=4, 10510/7985=1 QG2 ILE 56 - HA ILE 15 lone 5 81 - 6 - 4.4/7986=5 QD2 LEU 81 - HA ILE 15 lone 3 100 - 3 - QD2 LEU 45 - HA ILE 15 lone 3 70 - 4 - QD1 LEU 6 - HA ILE 15 lone 1 97 - 1 - QD2 LEU 63 - HA ILE 15 lone 1 100 - 1 - QG2 VAL 78 - HA ILE 15 lone 1 70 - 1 - Peak 10779 from cnoeabs.peaks (0.84, 0.73, 29.49 ppm; 4.04 A): 6 out of 8 assignments used, quality = 0.88: QG2 VAL 22 + HG13 ILE 18 OK 50 84 - 60 - 2.1/11117=10, 11118=9...(15) QG2 ILE 15 + HG13 ILE 18 OK 34 98 - 34 - ~7985=6, 10780/1.8=5...(9) QG2 ILE 5 + HG13 ILE 18 OK 29 100 - 29 - 10780/1.8=4, 9186/3.8=4...(12) HG13 ILE 5 + HG13 ILE 18 OK 26 99 - 26 - 9186/3.8=4, 10780/1.8=4...(11) QD1 LEU 14 + HG13 ILE 18 OK 20 65 - 31 - 11652/2.1=8, ~11651=7...(8) QG2 ILE 57 + HG13 ILE 18 OK 11 100 - 11 - 9186/3.8=2, 4515/3.2=2...(4) HG13 ILE 57 - HG13 ILE 18 lone 5 65 - 7 - 9185/4.6=1 QD2 LEU 82 - HG13 ILE 18 lone 1 73 - 1 - Peak 10780 from cnoeabs.peaks (0.85, 1.76, 29.49 ppm; 3.91 A): 8 out of 10 assignments used, quality = 0.93: QG2 VAL 22 + HG12 ILE 18 OK 47 98 - 48 - 11118/1.8=11...(11) QD1 LEU 14 + HG12 ILE 18 OK 34 90 - 38 - 11652/2.1=11, 11676=7...(9) QG2 VAL 117 + HG12 ILE 18 OK 33 70 - 47 - 10524/2.1=15...(8) QG2 ILE 15 + HG12 ILE 18 OK 32 100 - 32 - 10779/1.8=6, ~7985=5...(9) QG2 ILE 5 + HG12 ILE 18 OK 24 97 - 25 - 10779/1.8=6, 9186/3.8=3...(10) HG13 ILE 5 + HG12 ILE 18 OK 24 100 - 24 - 10779/1.8=5, 9186/3.8=4...(10) QG2 THR 9 + HG12 ILE 18 OK 17 77 - 22 - 9118/2.1=5, 9117/1.8=5...(7) QG2 ILE 57 + HG12 ILE 18 OK 10 96 - 11 - 10779/1.8=2, 9186/3.8=2...(5) HG13 ILE 57 - HG12 ILE 18 lone 6 90 - 6 - ~10779=1, 9185/4.6=1 QG1 VAL 32 - HG12 ILE 18 lone 1 61 - 2 - Peak 10783 from cnoeabs.peaks (0.88, 1.83, 32.33 ppm; 4.83 A): 4 out of 24 assignments used, quality = 0.84: QG2 VAL 29 + HB3 LYS 19 OK 68 73 - 93 - 9247/3.0=26, ~10926=25...(17) QG2 VAL 107 + HB3 LYS 19 OK 27 87 - 31 - 11460/1.8=11...(7) QG1 VAL 32 + HB3 LYS 19 OK 21 84 - 26 - 4.0/10790=12...(6) QG2 VAL 117 + HB3 LYS 19 OK 13 77 - 17 - 9198/3.0=5, 10520/1.8=4...(5) QD2 LEU 38 - HB3 LYS 19 lone 7 94 - 7 - 9380/7992=2, 11031/1.8=2 QG2 VAL 104 - HB3 LYS 19 lone 6 99 - 6 - 11031/1.8=2 QD2 LEU 38 - HB3 LYS 77 lone 5 78 - 7 - 7470/4.3=2 QD2 LEU 38 - HB2 LYS 77 lone 5 71 - 7 - 7470/4.3=2 QD2 LEU 90 - HB3 LYS 19 lone 5 100 - 5 - 11031/1.8=2 QG2 VAL 107 - HB3 LYS 77 lone 3 70 - 5 - QG2 VAL 107 - HB2 LYS 77 lone 3 64 - 5 - QG1 VAL 32 - HB3 LYS 77 lone 3 67 - 4 - 4.0/10790=1 QG2 THR 9 - HB3 LYS 19 lone 3 70 - 4 - 9198/3.0=2 QG1 VAL 32 - HB2 LYS 77 lone 3 61 - 4 - 4.0/10790=1 QD2 LEU 90 - HB3 LYS 77 lone 1 87 - 2 - QG2 VAL 104 - HB3 LYS 77 lone 1 85 - 2 - QD2 LEU 90 - HB2 LYS 77 lone 1 80 - 2 - QG2 VAL 104 - HB2 LYS 77 lone 1 79 - 2 - QG2 VAL 117 - HB3 LYS 77 lone 1 61 - 2 - QG2 VAL 117 - HB2 LYS 77 lone 1 55 - 2 - QG2 VAL 29 - HB3 LYS 77 lone 1 58 - 1 - QG2 VAL 29 - HB2 LYS 77 lone 1 52 - 1 - QG2 THR 9 - HB3 LYS 77 lone 1 54 - 1 - QG2 THR 9 - HB2 LYS 77 lone 0 49 - 1 - Peak 10784 from cnoeabs.peaks (0.82, 1.10, 27.09 ppm; 4.10 A): 2 out of 7 assignments used, quality = 0.59: QG1 VAL 29 + HG2 LYS 19 OK 51 70 - 73 - 10926=28, 11520/3.8=17...(13) QD1 LEU 64 + HG2 LYS 19 OK 16 100 - 16 - 11520/3.8=5, 4781/3.0=3...(4) QD2 LEU 82 - HG2 LYS 19 lone 3 96 - 3 - QD1 LEU 114 - HG2 LYS 19 lone 2 87 - 3 - QD2 LEU 74 - HG2 LYS 19 lone 2 100 - 2 - QD1 LEU 74 - HG2 LYS 19 lone 2 100 - 2 - QG2 ILE 71 - HG2 LYS 19 lone 1 100 - 1 - Peak 10785 from cnoeabs.peaks (0.72, 1.10, 27.09 ppm; 4.25 A): 5 out of 12 assignments used, quality = 0.82: QG2 ILE 18 + HG2 LYS 19 OK 50 99 - 51 - 3.7/1133=25, 9191/3.8=22...(9) QD1 ILE 57 + HG2 LYS 19 OK 33 73 - 45 - 9560/3.8=9, 9558/4.0=8...(10) QD2 LEU 55 + HG2 LYS 19 OK 22 84 - 26 - 9504/3.8=19, 9528/5.0=5...(4) HG13 ILE 18 + HG2 LYS 19 OK 19 98 - 20 - 9199/3.8=7, 105/5.0=5...(6) QG1 VAL 117 + HG2 LYS 19 OK 16 100 - 16 - 10510/3.0=3, 105/5.0=3...(8) QD2 LEU 81 - HG2 LYS 19 lone 5 70 - 8 - ~11633=1, 11634/3.0=1...(4) QD2 LEU 63 - HG2 LYS 19 lone 3 81 - 4 - QG2 VAL 78 - HG2 LYS 19 lone 2 100 - 2 - QD1 LEU 63 - HG2 LYS 19 lone 2 65 - 3 - QD1 LEU 6 - HG2 LYS 19 lone 2 96 - 2 - QD2 LEU 6 - HG2 LYS 19 lone 1 87 - 1 - QD2 LEU 45 - HG2 LYS 19 lone 1 100 - 1 - Peak 10786 from cnoeabs.peaks (0.84, 1.59, 29.87 ppm; 3.62 A): 10 out of 14 assignments used, quality = 0.93: QG2 ILE 57 + HD3 LYS 19 OK 41 100 - 41 - 3.0/9555=7, 11032/3.0=6...(14) QG2 ILE 57 + HD2 LYS 19 OK 41 100 - 41 - 3.0/9555=7, 11032/3.0=6...(14) QG2 ILE 5 + HD2 LYS 19 OK 22 100 - 22 - 10913=6, 10913/1.8=6...(5) QG2 ILE 5 + HD3 LYS 19 OK 22 100 - 22 - 10913=6, 10913/1.8=6...(5) QG2 ILE 15 + HD3 LYS 19 OK 17 94 - 18 - 10913=5, 10913/1.8=4...(6) QG2 ILE 15 + HD2 LYS 19 OK 17 94 - 18 - 10913=5, 10913/1.8=4...(6) QG2 VAL 22 + HD3 LYS 19 OK 17 73 - 23 - 10859/5.4=9, 10871/3.6=5...(6) QG2 VAL 22 + HD2 LYS 19 OK 17 73 - 23 - 10859/5.4=9, 10871/3.6=5...(6) HG13 ILE 5 + HD2 LYS 19 OK 14 96 - 15 - 3.2/10913=4, ~10913=2...(5) HG13 ILE 5 + HD3 LYS 19 OK 14 96 - 15 - 3.2/10913=4, ~10913=2...(5) QD2 LEU 82 - HD2 LYS 19 lone 1 84 - 2 - QD2 LEU 82 - HD3 LYS 19 lone 1 84 - 2 - QD2 LEU 74 - HD2 LYS 19 lone 1 61 - 2 - QD2 LEU 74 - HD3 LYS 19 lone 1 61 - 2 - Peak 10787 from cnoeabs.peaks (0.72, 1.59, 29.87 ppm; 4.20 A): 4 out of 22 assignments used, quality = 0.93: QD1 ILE 57 + HD2 LYS 19 OK 57 87 - 66 - 9558/3.0=13, 9558/3.0=13...(17) QD1 ILE 57 + HD3 LYS 19 OK 57 87 - 66 - 9558/3.0=13, 9558/3.0=13...(17) QG2 ILE 18 + HD2 LYS 19 OK 41 100 - 41 - 9191/5.4=15, 3.7/1134=10...(9) QG2 ILE 18 + HD3 LYS 19 OK 41 100 - 41 - 9191/5.4=15, 3.7/1134=10...(9) HG13 ILE 18 - HD3 LYS 19 OK 20 92 - 22 - 9199/5.4=4, ~10785=4...(8) HG13 ILE 18 - HD2 LYS 19 OK 20 92 - 22 - 9199/5.4=4, ~10785=4...(8) QD2 LEU 55 - HD3 LYS 19 OK 12 70 - 18 - 9504/5.4=10, 10785/3.0=4 QD2 LEU 55 - HD2 LYS 19 OK 12 70 - 18 - 9504/5.4=10, 10785/3.0=4 QG1 VAL 117 - HD2 LYS 19 OK 11 100 - 11 - 10785/3.0=3, 10510/3.6=3...(4) QG1 VAL 117 - HD3 LYS 19 OK 11 100 - 11 - 10785/3.0=3, 10510/3.6=3...(4) QD2 LEU 81 - HD2 LYS 19 lone 5 84 - 6 - 11634/3.6=1, 10785/3.0=1 QD2 LEU 81 - HD3 LYS 19 lone 5 84 - 6 - 11634/3.6=1, 10785/3.0=1 QD2 LEU 63 - HD2 LYS 19 lone 5 92 - 5 - ~9678=1 QD2 LEU 63 - HD3 LYS 19 lone 5 92 - 5 - ~9678=1 QD1 LEU 6 - HD3 LYS 19 lone 2 99 - 2 - QD1 LEU 6 - HD2 LYS 19 lone 2 99 - 2 - QG2 VAL 78 - HD3 LYS 19 lone 2 98 - 2 - QG2 VAL 78 - HD2 LYS 19 lone 2 98 - 2 - QD2 LEU 45 - HD3 LYS 19 lone 1 98 - 1 - QD2 LEU 45 - HD2 LYS 19 lone 1 98 - 1 - QD2 LEU 6 - HD2 LYS 19 lone 1 73 - 2 - QD2 LEU 6 - HD3 LYS 19 lone 1 73 - 2 - Peak 10788 from cnoeabs.peaks (3.37, 2.10, 35.31 ppm; 4.75 A): 2 out of 3 assignments used, quality = 0.97: HA ILE 18 + HG3 GLU 21 OK 82 100 - 82 - 8006/3.0=35, 8004/3.0=27...(13) HA ILE 18 + HG2 GLU 21 OK 81 99 - 82 - 8006/3.0=35, 8004/3.0=27...(13) HA ILE 18 - HB VAL 107 lone 3 69 - 5 - 10439/11416=1 Peak 10789 from cnoeabs.peaks (0.71, 5.21, 53.37 ppm; 4.23 A): 3 out of 10 assignments used, quality = 0.86: QD1 ILE 57 + HA ASP 31 OK 78 99 - 79 - 9573=28, 3.2/9569=28...(11) QG2 ILE 56 + HA ASP 31 OK 24 70 - 34 - 4.4/9570=25, 9534/3.6=9...(4) QG2 ILE 18 + HA ASP 31 OK 15 97 - 15 - 3.7/10683=5, 2.1/9270=4...(4) QD2 LEU 81 - HA ASP 31 poor 10 99 - 10 - 11634/9569=4...(4) QD2 LEU 63 - HA ASP 31 lone 6 100 - 7 - 10677/3.6=3, 10791/11682=2 HG13 ILE 18 - HA ASP 31 lone 6 65 - 8 - 2.9/9270=3, ~9269=1 QD1 LEU 6 - HA ASP 31 lone 4 99 - 4 - QG1 VAL 117 - HA ASP 31 lone 3 92 - 3 - QG2 VAL 78 - HA ASP 31 lone 2 81 - 2 - QD2 LEU 45 - HA ASP 31 lone 1 81 - 2 - Peak 10791 from cnoeabs.peaks (0.69, 1.78, 33.88 ppm; 3.59 A): 0 out of 8 assignments used, low quality = 0.43: QD2 LEU 63 - HB VAL 32 OK 21 77 - 28 - 2.1/11488=8, ~10931=7...(9) QG2 ILE 56 - HB VAL 32 OK 17 100 - 17 - 9534/3.9=9, 11251/9602=3 QD1 ILE 57 - HB VAL 32 OK 13 84 - 16 - 10677/3.9=9, 9573/11682=4 QD2 LEU 81 - HB VAL 32 lone 5 87 - 5 - 10677/3.9=1, ~11639=1 QD1 ILE 116 - HB VAL 32 lone 2 81 - 2 - QG2 ILE 97 - HB VAL 32 lone 1 87 - 2 - QD1 LEU 55 - HB VAL 32 lone 1 92 - 1 - QD2 LEU 4 - HB VAL 32 lone 1 73 - 2 - Peak 10794 from cnoeabs.peaks (0.86, 2.91, 40.87 ppm; 5.35 A): 2 out of 9 assignments used, quality = 0.82: QG1 VAL 32 + HB2 ASN 33 OK 80 98 - 81 - 7447/4.0=36...(8) QD1 LEU 14 + HB2 ASN 33 OK 14 100 - 14 - 10911/1.8=4, 9319/4.6=3...(4) QG2 THR 9 - HB2 ASN 33 lone 9 100 - 9 - 9122/3.0=3, 9319/4.6=2 QG2 VAL 107 - HB2 ASN 33 lone 7 97 - 7 - 185/4.0=2, 9319/4.6=2 HG13 ILE 57 - HB2 ASN 33 lone 6 100 - 6 - 185/4.0=2, 9319/4.6=1 QG2 VAL 117 - HB2 ASN 33 lone 4 99 - 4 - 9319/4.6=1, 185/4.0=1 QG2 ILE 15 - HB2 ASN 33 lone 3 81 - 4 - 9319/4.6=1 QG2 VAL 22 - HB2 ASN 33 lone 2 97 - 3 - HG13 ILE 5 - HB2 ASN 33 lone 1 77 - 2 - Peak 10795 from cnoeabs.peaks (0.75, 2.91, 40.87 ppm; 5.24 A): 4 out of 11 assignments used, quality = 0.82: QD1 LEU 63 + HB2 ASN 33 OK 52 99 - 53 - 11256/3.0=31, ~11255=19 QG2 VAL 32 + HB2 ASN 33 OK 51 70 - 73 - 4.4/1210=26...(8) QG2 ILE 7 + HB2 ASN 33 OK 13 100 - 14 - 9308/3.0=5...(4) QD2 LEU 6 + HB2 ASN 33 OK 10 90 - 11 - 9308/3.0=6, 9320/4.6=4 QD2 LEU 14 - HB2 ASN 33 poor 7 70 - 11 - 2.1/10794=4, ~10911=3...(4) QD1 LEU 45 - HB2 ASN 33 lone 6 96 - 6 - 9308/3.0=2, 9320/4.6=1 QG2 ILE 54 - HB2 ASN 33 lone 5 100 - 5 - 9308/3.0=1, 9498=1 QG1 VAL 107 - HB2 ASN 33 lone 3 70 - 5 - 2.1/10794=2 QD2 LEU 55 - HB2 ASN 33 lone 3 92 - 3 - QD1 ILE 15 - HB2 ASN 33 lone 3 65 - 4 - HG13 ILE 18 - HB2 ASN 33 lone 2 70 - 3 - Peak 10796 from cnoeabs.peaks (2.98, 3.92, 62.76 ppm; 6.16 A): 0 out of 14 assignments used, low quality = 0.20: HB2 ASN 24 - HB2 SER 35 OK 11 94 - 11 - 8023/1.8=3, ~8025=3, ~8023=3 HB3 ASN 24 - HB2 SER 35 OK 11 94 - 11 - 8023/1.8=3, ~8025=3, ~8023=3 HE2 LYS 39 - HB2 SER 35 lone 6 100 - 6 - ~9335=3 HE3 LYS 39 - HB2 SER 35 lone 6 99 - 6 - ~9335=3 HE2 LYS 40 - HB2 SER 35 lone 3 96 - 3 - ~9335=2 HE3 LYS 40 - HB2 SER 35 lone 3 92 - 3 - ~9335=2 HE3 LYS 73 - HB2 SER 35 lone 3 100 - 3 - HE2 LYS 73 - HB2 SER 35 lone 3 98 - 3 - HE3 LYS 43 - HB2 SER 35 lone 3 100 - 3 - HE2 LYS 43 - HB2 SER 35 lone 2 99 - 3 - HE3 LYS 20 - HB2 SER 35 lone 2 87 - 3 - HE2 LYS 20 - HB2 SER 35 lone 2 87 - 3 - HD3 ARG 118 - HB2 SER 35 lone 2 99 - 2 - HB3 PHE 51 - HB2 SER 35 lone 2 94 - 2 - Peak 10797 from cnoeabs.peaks (0.72, 3.92, 62.76 ppm; 4.17 A): 2 out of 11 assignments used, quality = 0.53: QD2 LEU 63 + HB2 SER 35 OK 41 96 - 43 - 11048/3.0=15, 9680=11...(9) QD1 LEU 6 + HB2 SER 35 OK 20 100 - 20 - 9338/3.0=6, 11560/4.4=4...(6) QG2 VAL 78 - HB2 SER 35 lone 9 96 - 9 - 9341/4.4=4, 9338/3.0=3 QG1 VAL 117 - HB2 SER 35 lone 9 99 - 9 - 9338/3.0=2, 2.1/10798=2...(4) QD2 LEU 6 - HB2 SER 35 poor 9 65 - 14 - ~9338=4, 9334/4.0=3...(5) QD1 ILE 57 - HB2 SER 35 lone 8 92 - 9 - 9338/3.0=2, 2.1/10798=2...(4) QD2 LEU 81 - HB2 SER 35 lone 5 90 - 5 - 9338/3.0=2 QD2 LEU 45 - HB2 SER 35 lone 5 96 - 5 - 9338/3.0=1, 9334/4.0=1 QG2 ILE 18 - HB2 SER 35 lone 4 100 - 4 - 9338/3.0=1 HG13 ILE 18 - HB2 SER 35 lone 4 87 - 4 - QD2 LEU 55 - HB2 SER 35 lone 1 61 - 1 - Peak 10798 from cnoeabs.peaks (0.88, 3.92, 62.76 ppm; 5.14 A): 3 out of 9 assignments used, quality = 0.70: QD2 LEU 38 + HB2 SER 35 OK 61 84 - 73 - 9337/3.0=18, ~8029=16...(11) QG1 VAL 32 + HB2 SER 35 OK 13 94 - 14 - 9337/3.0=8, 2.1/9289=3, 9288=2 QD2 LEU 90 + HB2 SER 35 OK 11 98 - 11 - 9337/3.0=5, ~11493=3...(4) QG2 VAL 117 - HB2 SER 35 poor 9 90 - 10 - 2.1/10797=4, 9337/3.0=3, ~9338=2 HG13 ILE 57 - HB2 SER 35 poor 8 70 - 11 - 2.1/10797=3, 9337/3.0=3...(4) QG2 VAL 107 - HB2 SER 35 lone 5 96 - 6 - 9337/3.0=2, ~8029=1 QG2 THR 9 - HB2 SER 35 lone 2 84 - 2 - QG2 VAL 104 - HB2 SER 35 lone 2 96 - 2 - QD1 LEU 14 - HB2 SER 35 lone 1 70 - 2 - Peak 10801 from cnoeabs.peaks (0.64, 1.66, 33.46 ppm; 5.95 A): 5 out of 6 assignments used, quality = 0.68: HG13 ILE 15 + HB2 GLU 52 OK 31 99 - 31 - 11351/1.8=13, ~10912=6...(7) QD1 ILE 54 + HB2 GLU 52 OK 30 99 - 30 - 11351/1.8=16...(4) QG1 VAL 22 + HB2 GLU 52 OK 16 100 - 16 - 11351/1.8=7, 10800/4.7=4 QD1 ILE 5 + HB2 GLU 52 OK 12 73 - 16 - 10800/4.7=5, 11351/1.8=5 QD1 LEU 4 + HB2 GLU 52 OK 11 100 - 11 - 10800/4.7=5, 11351/1.8=5 QD1 ILE 71 - HB2 GLU 52 lone 5 81 - 6 - 11351/1.8=2 Peak 10805 from cnoeabs.peaks (0.78, 1.34, 24.91 ppm; 3.50 A): 0 out of 11 assignments used, low quality = 0.34: QD1 LEU 81 - HG3 LYS 65 OK 22 97 - 22 - 11606/3.9=6, 11602/5.0=3...(8) QD2 LEU 64 - HG3 LYS 65 OK 16 100 - 16 - 4.7/4833=8, 10458/2.9=2...(4) QD1 LEU 82 - HG3 LYS 65 lone 6 99 - 6 - 11394=3, 4.6/514=1 QD2 LEU 80 - HG3 LYS 65 lone 6 98 - 6 - QD1 LEU 80 - HG3 LYS 65 lone 5 97 - 5 - QG1 VAL 107 - HG3 LYS 65 lone 5 61 - 7 - 2.1/11457=3, 11458=2 QD1 ILE 7 - HG3 LYS 65 lone 2 77 - 3 - QD2 LEU 14 - HG3 LYS 65 lone 1 61 - 1 - QG2 VAL 32 - HG3 LYS 65 lone 0 61 - 1 - QG1 VAL 29 - HG3 LYS 65 lone 0 65 - 1 - QD1 ILE 15 - HG3 LYS 65 lone 0 65 - 0 - Peak 10806 from cnoeabs.peaks (0.80, 1.93, 32.27 ppm; 3.53 A): 13 out of 56 assignments used, quality = 0.90: QD1 LEU 114 + HB3 LYS 115 OK 23 98 - 23 - 723/4.0=7, 4.5/10443=3...(8) QD1 LEU 114 + HB2 LYS 115 OK 22 94 - 23 - 723/4.0=7, 4.5/10443=3...(8) QD1 LEU 81 + HB3 LYS 65 OK 21 81 - 26 - 11606/3.0=6, ~9956=4...(9) QD1 LEU 81 + HB2 LYS 65 OK 21 80 - 26 - 11606/3.0=6, ~9956=4...(9) QD1 LEU 64 + HB3 LYS 65 OK 16 90 - 18 - 396/4.0=5, ~10805=4...(5) QD1 LEU 64 + HB2 LYS 65 OK 16 89 - 18 - 396/4.0=5, ~10805=4...(5) QD1 LEU 114 + HB3 LYS 65 OK 14 100 - 14 - ~8127=2, 4.9/1752=2...(4) QD1 LEU 114 + HB2 LYS 65 OK 14 100 - 14 - ~8127=2, 4.9/1752=2...(4) QG2 ILE 71 + HB2 LYS 123 OK 14 80 - 18 - 10612/2.9=8, 4.0/436=2...(5) QD1 LEU 81 + HB3 LYS 115 OK 14 76 - 18 - 11602/4.4=5, 11606/3.0=4...(6) QD1 LEU 81 + HB2 LYS 115 OK 13 71 - 18 - 11602/4.4=5, 11606/3.0=4...(6) QD1 LEU 64 + HB3 LYS 115 OK 12 85 - 14 - ~10452=3, 723/4.0=3...(4) QD1 LEU 64 + HB2 LYS 115 OK 11 80 - 14 - ~10452=3, 723/4.0=3...(4) QG2 ILE 71 - HB3 LYS 65 poor 9 81 - 11 - ~8147=2, 396/4.0=1...(6) QG2 ILE 71 - HB2 LYS 65 poor 9 80 - 11 - ~8147=2, 396/4.0=1...(6) QD1 LEU 114 - HB2 LYS 123 lone 3 100 - 3 - 10612/2.9=1 QG2 ILE 71 - HB3 LYS 115 lone 3 76 - 4 - QD1 LEU 74 - HB2 LYS 123 lone 3 80 - 4 - 10612/2.9=2, ~10612=1 QG2 ILE 71 - HB2 LYS 115 lone 3 71 - 4 - QD2 LEU 74 - HB2 LYS 123 lone 3 72 - 4 - 10612/2.9=2, ~10612=1 QG1 VAL 29 - HB2 LYS 123 lone 3 99 - 3 - QG1 VAL 29 - HB2 LYS 39 lone 3 77 - 3 - QD1 LEU 64 - HB2 LYS 123 lone 2 89 - 2 - QD1 LEU 81 - HB2 LYS 39 lone 2 56 - 3 - QG1 VAL 29 - HB3 LYS 115 lone 2 97 - 2 - QG1 VAL 29 - HB2 LYS 115 lone 2 93 - 2 - QG2 ILE 71 - HB2 LYS 39 lone 2 56 - 3 - 10612/2.9=1 QG1 VAL 29 - HB3 LYS 39 lone 1 38 - 3 - QD1 LEU 114 - HB2 LYS 39 lone 1 78 - 2 - QD1 LEU 74 - HB3 LYS 115 lone 1 76 - 2 - QD1 LEU 74 - HB2 LYS 115 lone 1 71 - 2 - QG1 VAL 29 - HB2 LYS 65 lone 1 100 - 1 - QG1 VAL 29 - HB3 LYS 65 lone 1 100 - 1 - QD1 LEU 81 - HB2 LYS 123 lone 1 80 - 1 - QD1 LEU 64 - HB2 LYS 39 lone 1 64 - 2 - QD1 LEU 74 - HB3 LYS 65 lone 1 81 - 1 - QD1 LEU 74 - HB2 LYS 65 lone 1 80 - 1 - QD2 LEU 74 - HB3 LYS 115 lone 1 69 - 1 - QD2 LEU 74 - HB2 LYS 115 lone 1 64 - 1 - QD1 LEU 74 - HB2 LYS 39 lone 1 56 - 2 - QD2 LEU 74 - HB3 LYS 65 lone 1 73 - 1 - QD2 LEU 74 - HB2 LYS 65 lone 1 73 - 1 - QD2 LEU 74 - HB2 LYS 39 lone 1 50 - 2 - QD1 LEU 81 - HB3 LYS 39 lone 1 26 - 3 - QD1 LEU 114 - HB3 LYS 40 lone 1 64 - 1 - QG2 ILE 71 - HB3 LYS 39 lone 1 26 - 3 - 10612/2.9=1 QG1 VAL 29 - HB3 LYS 40 lone 1 63 - 1 - QD1 LEU 114 - HB3 LYS 39 lone 1 38 - 1 - QD1 LEU 64 - HB3 LYS 39 lone 0 30 - 2 - QD1 LEU 74 - HB3 LYS 39 lone 0 26 - 2 - QG2 ILE 71 - HB3 LYS 40 lone 0 45 - 1 - QD1 LEU 64 - HB3 LYS 40 lone 0 52 - 1 - QD2 LEU 74 - HB3 LYS 39 lone 0 23 - 1 - QD1 LEU 81 - HB3 LYS 40 lone 0 45 - 1 - QD1 LEU 74 - HB3 LYS 40 lone 0 45 - 0 - QD2 LEU 74 - HB3 LYS 40 lone 0 40 - 0 - Peak 10807 from cnoeabs.peaks (8.02, 0.65, 14.72 ppm; 6.20 A): 1 out of 7 assignments used, quality = 0.94: H SER 72 + QD1 ILE 71 OK 94 100 - 94 - 446/2.1=39, 4.1/5089=38...(10) H LYS 65 - QD1 ILE 71 OK 30 77 - 39 - 3.0/9784=7, 1914/5.0=6...(12) H ARG 118 - QD1 ILE 71 lone 7 100 - 7 - 4.4/9779=1, 1914/5.0=1 H ASP 109 - QD1 ILE 71 lone 4 84 - 5 - 4.6/5104=1, 1914/5.0=1 H VAL 22 - QD1 ILE 71 lone 4 81 - 5 - 3.6/9783=2 H ILE 116 - QD1 ILE 71 lone 4 61 - 6 - H GLY 26 - QD1 ILE 71 lone 3 100 - 3 - Peak 10808 from cnoeabs.peaks (7.10, 2.83, 41.93 ppm; 4.79 A): 2 out of 2 assignments used, quality = 0.81: QE PHE 79 + HE2 LYS 77 OK 78 98 - 79 - 2.2/10809=29...(10) HZ PHE 93 + HE2 LYS 77 OK 15 57 - 26 - 10810/1.8=7, 9852/3.7=6...(7) Peak 10809 from cnoeabs.peaks (7.00, 2.83, 41.93 ppm; 4.88 A): 1 out of 5 assignments used, quality = 0.61: HZ PHE 79 + HE2 LYS 77 OK 61 84 - 73 - 2.2/10808=32, ~10810=21...(8) QD TYR 102 - HE2 LYS 77 poor 8 61 - 13 - 9853/3.7=4, 9848/3.7=3...(5) HZ PHE 120 - HE2 LYS 77 lone 4 73 - 5 - 9850/3.0=1, 9850/3.0=1 HE22 GLN 28 - HE2 LYS 77 lone 2 92 - 3 - HD22 ASN 33 - HE2 LYS 77 lone 1 70 - 2 - Peak 10810 from cnoeabs.peaks (7.10, 2.58, 41.93 ppm; 5.06 A): 2 out of 2 assignments used, quality = 0.88: QE PHE 79 + HE3 LYS 77 OK 85 100 - 85 - 10808/1.8=36...(12) HZ PHE 93 + HE3 LYS 77 OK 22 70 - 31 - 9852/3.7=8, 9847/3.7=8...(8) Peak 10811 from cnoeabs.peaks (6.99, 2.58, 41.93 ppm; 5.29 A): 2 out of 2 assignments used, quality = 0.79: HZ PHE 79 + HE3 LYS 77 OK 74 99 - 75 - 2.2/10810=32, ~10808=28...(9) QD TYR 102 + HE3 LYS 77 OK 18 100 - 18 - 9848/3.7=6, 9853/3.7=4...(5) Peak 10813 from cnoeabs.peaks (7.11, 2.08, 40.18 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.92: QE PHE 79 + HB3 PHE 79 OK 92 92 - 100 - 4.4=100 Peak 10815 from cnoeabs.peaks (5.23, 1.75, 45.67 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.96: HA VAL 104 + HB2 LEU 80 OK 96 100 - 96 - 9929/1.8=32, 9926/3.8=27...(21) Peak 10816 from cnoeabs.peaks (4.57, 1.75, 45.67 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.51: HA PHE 79 + HB2 LEU 80 OK 51 100 - 51 - 496/3.8=48, ~9900=4, 5.6/4653=1 HA ASN 88 - HB2 LEU 80 lone 3 94 - 3 - Peak 10819 from cnoeabs.peaks (6.99, 4.56, 55.64 ppm; 4.15 A): 0 out of 2 assignments used, low quality = 0.00: QD TYR 102 - HA ASN 88 lone 10 100 - 10 - 4.7/10687=7 HZ PHE 79 - HA ASN 88 lone 1 100 - 1 - Peak 10822 from cnoeabs.peaks (7.12, 4.34, 60.45 ppm; 5.23 A): 1 out of 6 assignments used, quality = 0.72: QE PHE 93 + HA PHE 93 OK 72 77 - 93 - 5.6=80, 2.2/5884=47...(4) QD PHE 51 - HA PHE 93 lone 3 100 - 3 - 2.4/10087=2 QD PHE 51 - HA SER 99 lone 2 98 - 2 - QE PHE 93 - HA SER 99 lone 2 75 - 3 - QE PHE 120 - HA PHE 93 lone 2 73 - 2 - QE PHE 120 - HA SER 99 lone 1 71 - 1 - Peak 10823 from cnoeabs.peaks (7.15, 3.29, 38.99 ppm; 5.67 A): 1 out of 1 assignment used, quality = 0.65: QE PHE 93 + HB2 PHE 93 OK 65 65 - 100 - 4.4=100 Peak 10828 from cnoeabs.peaks (7.10, 0.93, 22.96 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.94: QE PHE 79 + QD2 LEU 127 OK 92 100 - 92 - 10830/2.1=42, ~10831=36...(10) HZ PHE 93 + QD2 LEU 127 OK 21 84 - 25 - ~4678=5, 10830/2.1=5...(8) Peak 10829 from cnoeabs.peaks (6.97, 0.93, 22.96 ppm; 5.62 A): 0 out of 1 assignment used, low quality = 0.15: QD TYR 102 - QD2 LEU 127 OK 15 73 - 20 - ~10832=10, 2.2/4628=5, ~10193=4 Peak 10830 from cnoeabs.peaks (7.10, 1.01, 25.52 ppm; 4.36 A): 1 out of 2 assignments used, quality = 0.75: QE PHE 79 + QD1 LEU 127 OK 75 98 - 76 - 2.2/10831=31...(12) HZ PHE 93 - QD1 LEU 127 poor 9 57 - 16 - 10828/2.1=3, 2.2/4678=3...(10) Peak 10831 from cnoeabs.peaks (7.00, 1.01, 25.52 ppm; 4.31 A): 2 out of 5 assignments used, quality = 0.72: HZ PHE 79 + QD1 LEU 127 OK 69 87 - 79 - 2.2/10830=31, 4666=25...(15) QD TYR 102 + QD1 LEU 127 OK 11 65 - 16 - 2.2/10832=8, ~4628=4, ~10194=1 HE22 GLN 28 - QD1 LEU 127 lone 1 90 - 1 - HZ PHE 120 - QD1 LEU 127 lone 1 70 - 1 - HD22 ASN 33 - QD1 LEU 127 lone 0 65 - 1 - Peak 10832 from cnoeabs.peaks (6.71, 1.01, 25.52 ppm; 5.52 A): 2 out of 3 assignments used, quality = 0.84: QD PHE 79 + QD1 LEU 127 OK 73 90 - 81 - 2.2/10830=43...(8) QE TYR 102 + QD1 LEU 127 OK 40 97 - 41 - ~10829=28, 4628/2.1=6...(4) QE TYR 76 - QD1 LEU 127 lone 4 98 - 4 - Peak 10835 from cnoeabs.peaks (2.80, 6.59, 117.91 ppm; 5.88 A): 1 out of 3 assignments used, quality = 0.76: HB3 GLN 25 + QE TYR 27 OK 76 81 - 94 - ~4571=40, 11440/2.2=38...(9) HB2 ASP 109 - QE TYR 27 lone 3 79 - 4 - HB3 ASN 10 - QE TYR 27 lone 2 76 - 2 - Peak 10836 from cnoeabs.peaks (2.63, 6.59, 117.91 ppm; 5.66 A): 2 out of 4 assignments used, quality = 0.94: HE2 LYS 53 + QE TYR 27 OK 76 95 - 81 - 3.0/9224=30, 4.7/4719=29...(5) HG3 MET 121 + QE TYR 27 OK 76 95 - 79 - 3.4/10582=31...(9) HB2 ASP 12 - QE TYR 27 lone 1 65 - 2 - HB3 ASP 12 - QE TYR 27 lone 1 65 - 2 - Peak 10837 from cnoeabs.peaks (1.92, 6.59, 117.91 ppm; 5.52 A): 2 out of 16 assignments used, quality = 0.79: HG2 MET 121 + QE TYR 27 OK 72 94 - 77 - 3.4/10582=30, 10577=27...(9) HB ILE 15 + QE TYR 27 OK 24 91 - 26 - ~9049=4, 2.9/4598=4...(7) HB2 LEU 81 - QE TYR 27 lone 7 95 - 8 - ~11295=2, 3.1/9228=2 HB3 LYS 123 - QE TYR 27 lone 6 90 - 6 - ~11057=3, 10654/4595=2 HB3 LYS 17 - QE TYR 27 lone 5 95 - 6 - ~10838=2 HB3 LYS 65 - QE TYR 27 lone 5 79 - 6 - 11057/2.2=1, ~11057=1, ~4583=1 HB2 LYS 65 - QE TYR 27 lone 5 76 - 6 - 11057/2.2=1, ~11057=1, ~4583=1 HB2 LYS 123 - QE TYR 27 lone 4 76 - 6 - 11057/2.2=3, 10654/4595=2 HB2 LEU 127 - QE TYR 27 lone 4 79 - 6 - 10654/4595=3, 3.1/9226=1 HB2 LYS 115 - QE TYR 27 lone 4 90 - 4 - HB3 LYS 115 - QE TYR 27 lone 3 76 - 4 - 11057/2.2=1 HB2 LYS 39 - QE TYR 27 lone 2 76 - 3 - HB2 LEU 45 - QE TYR 27 lone 2 62 - 3 - HB2 LYS 44 - QE TYR 27 lone 1 84 - 2 - HB2 LYS 43 - QE TYR 27 lone 1 72 - 2 - HB3 LYS 44 - QE TYR 27 lone 1 69 - 2 - Peak 10838 from cnoeabs.peaks (2.01, 6.79, 132.82 ppm; 6.20 A): 1 out of 6 assignments used, quality = 0.63: HB2 GLN 25 + QD TYR 27 OK 63 66 - 95 - 1.8/11440=45, ~4579=42...(7) HG2 GLU 128 - QD TYR 27 poor 10 83 - 12 - ~9221=3, 9221/2.2=3...(4) HG3 GLU 128 - QD TYR 27 poor 10 83 - 12 - ~9221=3, 9221/2.2=3...(4) HB2 LYS 17 - QD TYR 27 lone 7 66 - 10 - 9212/2.5=2, ~4590=2, ~10837=1 HB2 LYS 40 - QD TYR 27 lone 3 56 - 5 - HB3 GLU 111 - QD TYR 27 lone 1 59 - 2 - Peak 10839 from cnoeabs.peaks (0.64, 6.79, 132.82 ppm; 6.20 A): 3 out of 6 assignments used, quality = 0.95: QG1 VAL 22 + QD TYR 27 OK 84 85 - 99 - 10851/2.2=39...(21) QD1 ILE 54 + QD TYR 27 OK 47 79 - 59 - 4.8/9480=19, 9237/4.5=14...(10) HG13 ILE 15 + QD TYR 27 OK 36 82 - 44 - 9214/2.5=6, 9217/2.5=5...(14) QD1 LEU 4 - QD TYR 27 OK 27 89 - 30 - 10732/2.5=6, 9237/4.5=5...(9) QD1 ILE 71 - QD TYR 27 lone 5 77 - 7 - 9214/2.5=1, 9781/2.5=1 QD1 ILE 56 - QD TYR 27 lone 3 56 - 6 - Peak 10841 from cnoeabs.peaks (1.44, 6.86, 132.15 ppm; 5.58 A): 3 out of 18 assignments used, quality = 1.00: HB3 LEU 4 + QD TYR 76 OK 94 95 - 99 - 3.1/9037=47, 3.1/9039=43...(26) HB2 LEU 4 + QD TYR 76 OK 94 95 - 99 - 3.1/9037=47, 3.1/9039=43...(26) HG LEU 4 + QD TYR 76 OK 85 86 - 99 - 2.1/9037=50, 2.1/9039=48...(24) HG12 ILE 56 - QD TYR 76 OK 34 75 - 45 - 1.8/4615=12, ~4628=7...(14) HB3 LYS 61 - QD TYR 76 OK 16 88 - 18 - ~4627=4, 3.0/4614=4...(6) HG12 ILE 7 - QD TYR 76 poor 9 60 - 15 - 2.1/4618=3, ~4626=3...(4) HG LEU 80 - QD TYR 76 lone 9 97 - 9 - 9036=2, 11378/9874=2...(4) HG3 LYS 44 - QD TYR 76 lone 8 96 - 9 - 2.9/4610=1, 2.9/4610=1 HB3 LEU 63 - QD TYR 76 poor 7 71 - 10 - ~4606=1 HG12 ILE 57 - QD TYR 76 poor 7 56 - 13 - ~9564=6, ~11279=3 HG3 ARG 30 - QD TYR 76 lone 6 84 - 7 - 1.8/4611=2, 9777/4617=1, ~4623=1 HG2 LYS 96 - QD TYR 76 lone 5 97 - 5 - HB3 LEU 6 - QD TYR 76 lone 5 64 - 7 - 11378/9874=1 HG3 LYS 17 - QD TYR 76 lone 4 81 - 5 - HG2 LYS 106 - QD TYR 76 lone 4 56 - 7 - 2.9/4610=1, 2.9/4610=1 HG2 LYS 39 - QD TYR 76 lone 4 68 - 5 - HG3 LYS 49 - QD TYR 76 lone 2 64 - 3 - HG2 LYS 49 - QD TYR 76 lone 2 64 - 3 - Peak 10842 from cnoeabs.peaks (0.81, 6.86, 132.15 ppm; 4.82 A): 3 out of 7 assignments used, quality = 0.99: QG2 ILE 71 + QD TYR 76 OK 91 95 - 97 - 9798=38, 9786/2.5=34...(22) QD1 LEU 74 + QD TYR 76 OK 76 95 - 81 - 9818/2.2=24, 9817=24...(15) QD2 LEU 74 + QD TYR 76 OK 73 92 - 80 - 2.1/9817=22, 2.1/4610=19...(16) QD1 LEU 64 - QD TYR 76 OK 17 97 - 18 - 9833/4.4=7, 2.1/4618=2...(6) QD1 LEU 114 - QD TYR 76 OK 16 92 - 17 - 9833/4.4=6, 9836/2.5=2...(5) QD2 LEU 82 - QD TYR 76 lone 5 78 - 6 - 2.1/4618=1 QG1 VAL 29 - QD TYR 76 lone 2 81 - 2 - Peak 10843 from cnoeabs.peaks (0.66, 6.86, 132.15 ppm; 4.87 A): 2 out of 6 assignments used, quality = 0.98: QD1 ILE 71 + QD TYR 76 OK 91 97 - 94 - 3.3/9798=30, 4.2/4572=27...(22) QD1 LEU 4 + QD TYR 76 OK 75 78 - 96 - 2.1/9039=43, 9037=39...(19) QD1 ILE 56 - QD TYR 76 OK 34 93 - 37 - 2.1/4615=10, ~4628=5...(14) HG13 ILE 15 - QD TYR 76 OK 18 56 - 33 - 1.8/4610=10, 2.1/4618=8...(10) QD2 LEU 114 - QD TYR 76 poor 8 71 - 11 - 2.1/10842=2, 3.1/4610=2...(4) QG1 VAL 22 - QD TYR 76 poor 7 64 - 10 - 10858/2.5=2, ~10860=2...(4) Peak 10846 from cnoeabs.peaks (0.81, 7.14, 130.60 ppm; 5.39 A): 3 out of 8 assignments used, quality = 0.94: QD1 LEU 64 + QE PHE 93 OK 77 96 - 80 - 2.1/9693=28, 9692=18...(15) QD2 LEU 82 + QE PHE 93 OK 55 64 - 85 - ~11398=31, 9983/2.2=26...(13) QD1 LEU 81 + QE PHE 93 OK 46 64 - 71 - 2.1/11385=16...(16) QG1 VAL 29 - QE PHE 93 OK 13 96 - 13 - 2.1/10246=3, ~4668=3...(4) QG2 ILE 71 - QE PHE 93 poor 9 91 - 10 - 9775/9748=6, ~11703=1 QD1 LEU 114 - QE PHE 93 lone 7 100 - 7 - QD1 LEU 74 - QE PHE 93 lone 1 91 - 1 - QD2 LEU 74 - QE PHE 93 lone 1 86 - 1 - Peak 10848 from cnoeabs.peaks (8.04, 0.64, 20.11 ppm; 3.99 A): 1 out of 9 assignments used, quality = 0.99: * H VAL 22 + QG1 VAL 22 OK 99 100 - 99 - 4.0=98, 10849/2.1=28...(5) H SER 72 - QG1 VAL 22 lone 8 81 - 10 - 2.9/9808=6, 10849/2.1=2 H ARG 118 - QG1 VAL 22 lone 7 90 - 8 - 4.3/11117=2, 10849/2.1=2 H GLN 122 - QG1 VAL 22 poor 7 70 - 10 - 3.6/10855=4...(4) H LYS 65 - QG1 VAL 22 lone 3 100 - 3 - H ASP 109 - QG1 VAL 22 lone 3 100 - 3 - 10849/2.1=2 H THR 9 - QG1 VAL 22 lone 3 97 - 3 - 3.9/9118=1 H LEU 90 - QG1 VAL 22 lone 1 92 - 1 - H GLY 26 - QG1 VAL 22 lone 1 70 - 1 - Peak 10849 from cnoeabs.peaks (8.04, 0.85, 19.94 ppm; 3.92 A): 1 out of 9 assignments used, quality = 0.94: H VAL 22 + QG2 VAL 22 OK 94 100 - 94 - 4.0=93, 10848/2.1=26 H ARG 118 - QG2 VAL 22 lone 7 87 - 8 - 10848/2.1=2, 2.9/10542=1...(4) H SER 72 - QG2 VAL 22 lone 6 77 - 7 - ~9808=4, 10848/2.1=2 H ASP 109 - QG2 VAL 22 lone 5 100 - 5 - H GLN 122 - QG2 VAL 22 lone 4 73 - 5 - 4.6/10588=2, 10848/2.1=2 H LYS 65 - QG2 VAL 22 lone 3 100 - 3 - H THR 9 - QG2 VAL 22 lone 2 98 - 2 - H LEU 90 - QG2 VAL 22 lone 1 94 - 1 - H GLY 26 - QG2 VAL 22 lone 0 65 - 1 - Peak 10850 from cnoeabs.peaks (6.78, 0.64, 20.11 ppm; 5.55 A): 2 out of 2 assignments used, quality = 0.98: QD TYR 27 + QG1 VAL 22 OK 94 96 - 98 - 2.5/10858=35...(20) QD PHE 120 + QG1 VAL 22 OK 69 92 - 75 - ~10870=29, 10852/2.1=17...(14) Peak 10851 from cnoeabs.peaks (6.57, 0.64, 20.11 ppm; 6.18 A): 1 out of 1 assignment used, quality = 0.75: QE TYR 27 + QG1 VAL 22 OK 75 87 - 86 - 4.4/10858=31...(13) Peak 10852 from cnoeabs.peaks (6.78, 0.85, 19.94 ppm; 5.56 A): 2 out of 2 assignments used, quality = 0.98: QD TYR 27 + QG2 VAL 22 OK 94 96 - 98 - 2.5/10860=41, ~9215=26...(20) QD PHE 120 + QG2 VAL 22 OK 69 92 - 75 - 2.4/10870=38...(12) Peak 10853 from cnoeabs.peaks (7.55, 4.13, 62.80 ppm; 4.91 A): 3 out of 3 assignments used, quality = 0.52: HE21 GLN 25 + HB3 SER 72 OK 24 63 - 39 - 3.5/11521=13...(5) HE21 GLN 25 + HB2 SER 72 OK 24 63 - 39 - 3.5/11521=13...(5) HE21 GLN 25 + HA VAL 22 OK 17 84 - 20 - 3.5/10863=5, 3.5/11521=4...(5) Peak 10855 from cnoeabs.peaks (3.94, 0.64, 20.11 ppm; 6.05 A): 3 out of 5 assignments used, quality = 0.67: HA GLU 21 + QG1 VAL 22 OK 48 65 - 73 - 2.9/11314=35...(7) HA MET 121 + QG1 VAL 22 OK 28 81 - 35 - 5.4/10602=19...(6) HA MET 67 + QG1 VAL 22 OK 12 100 - 12 - 9703=6, ~2098=2, ~9705=1 HA ILE 97 - QG1 VAL 22 lone 3 97 - 3 - HB3 SER 35 - QG1 VAL 22 lone 3 99 - 3 - Peak 10856 from cnoeabs.peaks (3.67, 0.64, 20.11 ppm; 5.93 A): 1 out of 1 assignment used, quality = 0.64: HA LYS 19 + QG1 VAL 22 OK 64 87 - 74 - 10859/2.1=50, ~10871=15...(9) Peak 10857 from cnoeabs.peaks (3.36, 0.64, 20.11 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.60: HA ILE 18 + QG1 VAL 22 OK 60 77 - 78 - 3.2/11117=16...(17) HD3 ARG 105 - QG1 VAL 22 lone 2 65 - 3 - Peak 10858 from cnoeabs.peaks (2.65, 0.64, 20.11 ppm; 4.78 A): 1 out of 7 assignments used, quality = 0.84: * HB2 TYR 27 + QG1 VAL 22 OK 84 92 - 91 - 10860/2.1=29...(14) HB2 TYR 76 - QG1 VAL 22 poor 9 90 - 10 - 10860/2.1=2, 1.8/9842=2...(4) HB2 ASP 12 - QG1 VAL 22 lone 4 90 - 4 - 3.0/9155=2 HB3 ASP 12 - QG1 VAL 22 lone 4 90 - 4 - 3.0/9155=2 HG2 MET 42 - QG1 VAL 22 lone 2 100 - 2 - HB3 ASP 36 - QG1 VAL 22 lone 2 94 - 2 - HB3 ASP 84 - QG1 VAL 22 lone 2 90 - 2 - Peak 10859 from cnoeabs.peaks (3.67, 0.85, 19.94 ppm; 3.48 A): 0 out of 1 assignment used, low quality = 0.36: HA LYS 19 - QG2 VAL 22 OK 36 87 - 41 - 10856/2.1=10...(11) Peak 10860 from cnoeabs.peaks (2.66, 0.85, 19.94 ppm; 4.09 A): 1 out of 7 assignments used, quality = 0.81: HB2 TYR 27 + QG2 VAL 22 OK 81 100 - 81 - 10875/2.1=22...(15) HB2 TYR 76 - QG2 VAL 22 lone 6 100 - 6 - 10858/2.1=2, 10875/2.1=2 HB3 ASP 110 - QG2 VAL 22 lone 3 70 - 4 - HG2 MET 42 - QG2 VAL 22 lone 2 96 - 2 - HB3 ASP 84 - QG2 VAL 22 lone 1 100 - 1 - HB3 ASP 36 - QG2 VAL 22 lone 1 100 - 1 - HE3 LYS 61 - QG2 VAL 22 lone 1 92 - 1 - Peak 10861 from cnoeabs.peaks (1.82, 4.13, 62.80 ppm; 4.20 A): 5 out of 36 assignments used, quality = 0.89: HB ILE 18 + HA VAL 22 OK 53 99 - 54 - 2.1/11119=10...(13) QE MET 121 + HA VAL 22 OK 44 99 - 44 - 10602/3.2=17, 10586=13...(9) HB3 LYS 19 + HA VAL 22 OK 40 94 - 43 - ~10859=15, ~10856=10...(7) QE MET 121 + HB3 SER 72 OK 17 80 - 22 - 10586/1.8=7, 10586=6...(6) QE MET 121 + HB2 SER 72 OK 17 80 - 22 - 10586/1.8=7, 10586=6...(6) HB2 LEU 14 - HA VAL 22 lone 10 100 - 10 - 9165/3.2=3, ~7977=2, ~9164=1 HB ILE 3 - HA VAL 22 poor 9 61 - 15 - 2.1/9005=4, ~9009=2...(6) HB ILE 57 - HA VAL 22 lone 6 100 - 6 - ~9579=3, 3.2/11119=1 HG12 ILE 5 - HA VAL 22 lone 4 65 - 6 - 2.1/9064=2, 4582/4577=1 HG12 ILE 5 - HB3 SER 72 lone 3 47 - 6 - ~9808=3 HG12 ILE 5 - HB2 SER 72 lone 3 47 - 6 - ~9808=3 HB ILE 18 - HB3 SER 72 lone 2 81 - 2 - HB ILE 18 - HB2 SER 72 lone 2 81 - 2 - HD2 LYS 123 - HB2 SER 72 lone 2 47 - 4 - ~10935=2, 2.9/10935=1 HD2 LYS 123 - HB3 SER 72 lone 2 47 - 4 - ~10935=2, 2.9/10935=1 HD2 LYS 123 - HA VAL 22 lone 2 65 - 3 - HB3 ARG 105 - HA VAL 22 lone 1 94 - 1 - HB ILE 57 - HB3 SER 72 lone 1 82 - 1 - HB ILE 57 - HB2 SER 72 lone 1 82 - 1 - HB ILE 97 - HA VAL 22 lone 1 70 - 2 - HB3 LYS 77 - HA VAL 22 lone 1 73 - 1 - HB2 LEU 14 - HB2 SER 72 lone 1 82 - 1 - HB2 LEU 14 - HB3 SER 72 lone 1 82 - 1 - HB2 LYS 77 - HA VAL 22 lone 1 65 - 1 - HB3 LYS 19 - HB2 SER 72 lone 1 73 - 1 - HB3 LYS 19 - HB3 SER 72 lone 1 73 - 1 - HB ILE 3 - HB3 SER 72 lone 1 44 - 2 - HB ILE 3 - HB2 SER 72 lone 1 44 - 2 - HB3 ARG 105 - HB3 SER 72 lone 1 73 - 1 - HB3 ARG 105 - HB2 SER 72 lone 1 73 - 1 - HB3 LYS 77 - HB2 SER 72 lone 0 54 - 1 - HB3 LYS 77 - HB3 SER 72 lone 0 54 - 1 - HB ILE 97 - HB2 SER 72 lone 0 50 - 1 - HB ILE 97 - HB3 SER 72 lone 0 50 - 1 - HB2 LYS 77 - HB2 SER 72 lone 0 47 - 1 - HB2 LYS 77 - HB3 SER 72 lone 0 47 - 1 - Peak 10862 from cnoeabs.peaks (2.36, 4.13, 62.80 ppm; 4.86 A): 1 out of 12 assignments used, quality = 0.84: HB3 TYR 27 + HA VAL 22 OK 84 94 - 90 - 9215/3.0=24, ~10860=23...(15) HB3 TYR 27 - HB2 SER 72 lone 7 73 - 9 - 2.5/4577=4, ~4577=3, ~11116=2 HB3 TYR 27 - HB3 SER 72 lone 7 73 - 9 - 2.5/4577=4, ~4577=3, ~11116=2 HG3 GLN 100 - HA VAL 22 lone 4 87 - 4 - 3.5/10968=2 HG3 GLN 100 - HB3 SER 72 lone 2 66 - 3 - 3.5/10968=2 HG3 GLN 100 - HB2 SER 72 lone 2 66 - 3 - 3.5/10968=2 HG2 GLU 13 - HA VAL 22 lone 2 100 - 2 - HG2 GLU 98 - HA VAL 22 lone 2 81 - 2 - HG2 GLU 13 - HB3 SER 72 lone 1 82 - 1 - HG2 GLU 13 - HB2 SER 72 lone 1 82 - 1 - HG2 GLU 98 - HB2 SER 72 lone 1 60 - 1 - HG2 GLU 98 - HB3 SER 72 lone 1 60 - 1 - Peak 10863 from cnoeabs.peaks (2.51, 4.13, 62.80 ppm; 5.15 A): 3 out of 9 assignments used, quality = 0.89: HG3 GLN 25 + HB3 SER 72 OK 60 78 - 77 - 1.8/11521=18, ~11449=16...(12) HG3 GLN 25 + HB2 SER 72 OK 60 78 - 77 - 1.8/11521=18, ~11449=16...(12) HG3 GLN 25 + HA VAL 22 OK 30 98 - 31 - 3.5/10853=9, 1.8/11521=6...(7) HG3 GLN 122 - HA VAL 22 lone 4 94 - 4 - 10597/10586=1 HG3 GLU 47 - HB3 SER 72 lone 3 66 - 4 - 4062/4.6=2 HG3 GLU 47 - HB2 SER 72 lone 3 66 - 4 - 4062/4.6=2 HG3 GLN 122 - HB2 SER 72 lone 2 73 - 2 - HG3 GLN 122 - HB3 SER 72 lone 2 73 - 2 - HG3 GLU 47 - HA VAL 22 lone 1 87 - 2 - Peak 10864 from cnoeabs.peaks (2.82, 4.13, 62.80 ppm; 5.75 A): 3 out of 12 assignments used, quality = 0.94: HB3 GLN 25 + HB2 SER 72 OK 68 82 - 84 - ~11449=23, 11446/1.8=20...(13) HB3 GLN 25 + HB3 SER 72 OK 68 82 - 84 - ~11449=23, 11446/1.8=20...(13) HB3 GLN 25 + HA VAL 22 OK 36 100 - 36 - 4.4/10853=9, 4578/4577=8...(7) HB2 ASP 109 - HA VAL 22 lone 9 100 - 9 - 10360/3.2=2, ~10364=2...(4) HE2 LYS 77 - HA VAL 22 lone 3 97 - 3 - HB2 ASP 109 - HB2 SER 72 lone 2 82 - 2 - HB2 ASP 109 - HB3 SER 72 lone 2 82 - 2 - HB3 ASN 10 - HA VAL 22 lone 2 100 - 2 - HE2 LYS 77 - HB3 SER 72 lone 1 77 - 2 - HE2 LYS 77 - HB2 SER 72 lone 1 77 - 2 - HB3 ASN 10 - HB2 SER 72 lone 1 82 - 2 - HB3 ASN 10 - HB3 SER 72 lone 1 82 - 2 - Peak 10865 from cnoeabs.peaks (1.82, 0.64, 20.11 ppm; 3.72 A): 4 out of 12 assignments used, quality = 0.86: HB ILE 18 + QG1 VAL 22 OK 53 99 - 54 - 2.1/11117=14...(13) QE MET 121 + QG1 VAL 22 OK 44 99 - 44 - 10602=24, 10586/3.2=9...(9) HB3 LYS 19 + QG1 VAL 22 OK 38 94 - 41 - ~10859=16, 3.0/10856=12...(6) HB2 LEU 14 + QG1 VAL 22 OK 14 100 - 14 - ~7977=2, 4.0/9160=2...(6) HB ILE 3 - QG1 VAL 22 poor 8 61 - 13 - 2.1/9009=4, ~9007=2...(4) HG12 ILE 5 - QG1 VAL 22 lone 5 65 - 8 - 9052/4598=1, 4582/4588=1 HB ILE 57 - QG1 VAL 22 lone 4 100 - 4 - HD2 LYS 123 - QG1 VAL 22 lone 2 65 - 2 - HB3 ARG 105 - QG1 VAL 22 lone 1 94 - 1 - HB ILE 97 - QG1 VAL 22 lone 1 70 - 1 - HB3 LYS 77 - QG1 VAL 22 lone 1 73 - 1 - HB2 LYS 77 - QG1 VAL 22 lone 0 65 - 1 - Peak 10866 from cnoeabs.peaks (1.32, 0.64, 20.11 ppm; 4.98 A): 1 out of 2 assignments used, quality = 0.75: HB3 LEU 55 + QG1 VAL 22 OK 75 100 - 75 - 9503/2.1=19, ~11246=15...(14) HG3 LYS 94 - QG1 VAL 22 lone 1 100 - 1 - Peak 10867 from cnoeabs.peaks (2.10, 0.64, 20.11 ppm; 4.22 A): 3 out of 16 assignments used, quality = 0.56: HG3 GLU 21 + QG1 VAL 22 OK 25 97 - 26 - 5.0/11314=13...(4) HG2 GLU 21 + QG1 VAL 22 OK 24 94 - 26 - 5.0/11314=13...(4) HB2 GLU 21 + QG1 VAL 22 OK 23 61 - 37 - 4.7/10848=17...(4) HG2 GLU 52 - QG1 VAL 22 lone 9 100 - 9 - 3.0/11351=4, 3.0/10801=3 HB3 GLU 66 - QG1 VAL 22 lone 7 99 - 7 - 8114/3.2=1, ~11450=1 HB2 GLU 112 - QG1 VAL 22 lone 3 84 - 3 - HB3 GLU 112 - QG1 VAL 22 lone 2 81 - 3 - HB3 GLU 69 - QG1 VAL 22 lone 2 96 - 2 - HB2 LEU 38 - QG1 VAL 22 lone 2 70 - 3 - HB2 GLU 103 - QG1 VAL 22 lone 2 92 - 2 - HB3 GLU 92 - QG1 VAL 22 lone 1 92 - 2 - HB3 GLU 119 - QG1 VAL 22 lone 1 70 - 2 - HB2 GLU 111 - QG1 VAL 22 lone 1 100 - 1 - HB2 GLU 87 - QG1 VAL 22 lone 1 100 - 1 - HB VAL 107 - QG1 VAL 22 lone 1 61 - 2 - HB3 GLU 47 - QG1 VAL 22 lone 1 84 - 1 - Peak 10868 from cnoeabs.peaks (2.36, 0.64, 20.11 ppm; 4.74 A): 2 out of 5 assignments used, quality = 0.87: * HB3 TYR 27 + QG1 VAL 22 OK 76 81 - 94 - 1.8/10858=31, ~10860=27...(18) HB3 PHE 120 + QG1 VAL 22 OK 45 77 - 59 - 10870/2.1=16...(12) HG2 GLU 13 - QG1 VAL 22 lone 4 100 - 4 - 66/9160=1 HG3 GLN 100 - QG1 VAL 22 lone 4 97 - 4 - HG2 GLU 98 - QG1 VAL 22 lone 1 61 - 2 - Peak 10869 from cnoeabs.peaks (2.55, 0.85, 19.94 ppm; 4.51 A): 0 out of 0 assignments used, low quality = 0.00: Peak 10870 from cnoeabs.peaks (2.34, 0.85, 19.94 ppm; 4.01 A): 0 out of 6 assignments used, low quality = 0.43: HB3 PHE 120 - QG2 VAL 22 OK 43 100 - 44 - 2.4/10852=8, 10564=7...(13) HG2 GLN 83 - QG2 VAL 22 lone 5 99 - 5 - 10010=1, 1.8/10012=1 HG3 GLU 112 - QG2 VAL 22 lone 3 100 - 3 - HG2 GLU 112 - QG2 VAL 22 lone 3 99 - 3 - HG3 GLN 100 - QG2 VAL 22 lone 1 92 - 1 - HG3 GLU 103 - QG2 VAL 22 lone 1 65 - 1 - Peak 10871 from cnoeabs.peaks (1.80, 0.85, 19.94 ppm; 4.09 A): 3 out of 9 assignments used, quality = 0.72: HB2 LYS 19 + QG2 VAL 22 OK 47 77 - 62 - 3.0/10859=35, ~10856=12...(10) HB ILE 18 + QG2 VAL 22 OK 38 65 - 58 - ~10857=11, 2.9/11118=10...(14) HB ILE 3 + QG2 VAL 22 OK 13 100 - 13 - 2.1/9007=4, ~9009=3...(4) HG12 ILE 5 - QG2 VAL 22 lone 9 99 - 9 - 11487/11118=2...(3) HB2 ARG 118 - QG2 VAL 22 lone 4 99 - 4 - 3.0/10542=1, 4.1/10849=1 HG2 ARG 105 - QG2 VAL 22 lone 2 100 - 2 - HB ILE 97 - QG2 VAL 22 lone 1 99 - 1 - HB2 LEU 64 - QG2 VAL 22 lone 1 81 - 2 - HB3 ARG 105 - QG2 VAL 22 lone 1 84 - 1 - Peak 10872 from cnoeabs.peaks (1.58, 0.85, 19.94 ppm; 4.61 A): 4 out of 12 assignments used, quality = 0.90: HG LEU 55 + QG2 VAL 22 OK 57 73 - 78 - 3.0/10874=31, ~10866=19...(10) HG3 LYS 19 + QG2 VAL 22 OK 46 81 - 57 - 3.8/10859=35...(8) HD3 LYS 19 + QG2 VAL 22 OK 35 87 - 40 - 5.4/10859=23...(5) HD2 LYS 19 + QG2 VAL 22 OK 35 87 - 40 - 5.4/10859=23...(5) HG12 ILE 116 - QG2 VAL 22 lone 5 100 - 5 - 10907/10870=3 HG LEU 68 - QG2 VAL 22 lone 3 98 - 3 - ~9768=1 HG2 LYS 123 - QG2 VAL 22 lone 1 97 - 2 - HG2 LYS 73 - QG2 VAL 22 lone 1 77 - 1 - HG2 LYS 44 - QG2 VAL 22 lone 1 100 - 1 - HG3 LYS 96 - QG2 VAL 22 lone 1 87 - 1 - HB3 LEU 70 - QG2 VAL 22 lone 1 87 - 1 - HG LEU 82 - QG2 VAL 22 lone 1 73 - 1 - Peak 10874 from cnoeabs.peaks (1.30, 0.85, 19.94 ppm; 4.61 A): 1 out of 4 assignments used, quality = 0.51: HB3 LEU 55 + QG2 VAL 22 OK 51 73 - 69 - 3.1/11118=17...(12) HG3 LYS 115 - QG2 VAL 22 lone 1 99 - 1 - HG3 LYS 94 - QG2 VAL 22 lone 1 70 - 1 - HB3 LEU 80 - QG2 VAL 22 lone 1 73 - 1 - Peak 10875 from cnoeabs.peaks (2.67, 1.98, 29.83 ppm; 4.78 A): 1 out of 16 assignments used, quality = 0.92: HB2 TYR 27 + HB VAL 22 OK 92 99 - 93 - 10860/2.1=37...(16) HB2 TYR 76 - HB VAL 22 lone 8 99 - 8 - 10860/2.1=3, 9837/2.1=2, ~9842=1 HB3 ASP 110 - HB VAL 22 lone 3 84 - 4 - 10860/2.1=1 HG2 MET 42 - HB VAL 22 lone 2 87 - 2 - HB3 ASP 84 - HB VAL 22 lone 2 99 - 2 - HB3 ASP 36 - HB VAL 22 lone 2 98 - 2 - HG2 MET 42 - HB3 ARG 95 lone 1 48 - 3 - HE3 LYS 61 - HB VAL 22 lone 1 98 - 1 - HB2 TYR 76 - HB3 ARG 95 lone 1 61 - 2 - HE2 LYS 61 - HB VAL 22 lone 1 65 - 1 - HB2 TYR 27 - HB3 ARG 95 lone 1 60 - 1 - HB3 ASP 110 - HB3 ARG 95 lone 1 46 - 1 - HB3 ASP 84 - HB3 ARG 95 lone 1 61 - 1 - HB3 ASP 36 - HB3 ARG 95 lone 0 59 - 1 - HE3 LYS 61 - HB3 ARG 95 lone 0 59 - 1 - HE2 LYS 61 - HB3 ARG 95 lone 0 34 - 1 - Peak 10877 from cnoeabs.peaks (0.96, 2.43, 30.98 ppm; 4.80 A): 3 out of 5 assignments used, quality = 0.73: QD1 LEU 38 + HG2 MET 1 OK 40 100 - 40 - 10878/1.8=14, ~10994=11...(9) QD1 ILE 3 + HG2 MET 1 OK 39 96 - 41 - 9013/1.8=22, 9012=16 HG13 ILE 56 + HG2 MET 1 OK 27 100 - 27 - 2.1/9549=18, 10878/1.8=9 HD3 LYS 2 - HG2 MET 1 lone 2 100 - 2 - HG13 ILE 116 - HG2 MET 1 lone 1 94 - 2 - Peak 10878 from cnoeabs.peaks (0.96, 2.60, 30.98 ppm; 4.78 A): 3 out of 5 assignments used, quality = 0.75: QD1 ILE 3 + HG3 MET 1 OK 44 96 - 46 - 9013=26, 9012/1.8=20 QD1 LEU 38 + HG3 MET 1 OK 40 100 - 40 - 10877/1.8=15...(7) HG13 ILE 56 + HG3 MET 1 OK 25 100 - 25 - ~9549=15, 10877/1.8=10 HD3 LYS 2 - HG3 MET 1 lone 2 100 - 2 - HG13 ILE 116 - HG3 MET 1 lone 1 94 - 2 - Peak 10879 from cnoeabs.peaks (7.11, 2.01, 36.01 ppm; 5.11 A): 0 out of 4 assignments used, low quality = 0.43: QE PHE 79 - HG2 GLU 128 OK 24 94 - 26 - 9688/4.0=9, ~4644=8...(4) QE PHE 79 - HG3 GLU 128 OK 24 94 - 26 - 9688/4.0=9, ~4644=8...(4) QD PHE 51 - HG2 GLU 128 lone 1 65 - 1 - QD PHE 51 - HG3 GLU 128 lone 1 65 - 1 - Peak 10880 from cnoeabs.peaks (6.97, 2.01, 36.01 ppm; 5.26 A): 0 out of 2 assignments used, low quality = 0.00: QD TYR 102 - HG3 GLU 128 lone 2 70 - 3 - QD TYR 102 - HG2 GLU 128 lone 2 70 - 3 - Peak 10881 from cnoeabs.peaks (4.02, 2.01, 36.01 ppm; 4.92 A): 6 out of 24 assignments used, quality = 0.63: HA GLU 92 + HG2 GLU 128 OK 19 94 - 20 - 8202/3.0=4, 3.0/7241=3...(7) HA GLU 92 + HG3 GLU 128 OK 19 94 - 20 - 8202/3.0=4, 3.0/7241=3...(7) HB3 SER 126 + HG3 GLU 128 OK 13 97 - 14 - 10638/5.0=7, 10641/3.0=2...(4) HB3 SER 126 + HG2 GLU 128 OK 13 97 - 14 - 10638/5.0=7, 10641/3.0=2...(4) HB2 SER 126 + HG3 GLU 128 OK 13 100 - 13 - 10638/5.0=6, 10641/3.0=3...(4) HB2 SER 126 + HG2 GLU 128 OK 13 100 - 13 - 10638/5.0=6, 10641/3.0=3...(4) HA GLU 66 - HG2 GLU 128 lone 4 100 - 4 - 8202/3.0=1, 8201/3.0=1 HA GLU 66 - HG3 GLU 128 lone 4 100 - 4 - 8202/3.0=1, 8201/3.0=1 HA LYS 123 - HG2 GLU 128 lone 3 100 - 3 - HA LYS 123 - HG3 GLU 128 lone 3 100 - 3 - HA LYS 40 - HG3 GLU 128 lone 3 100 - 3 - HA LYS 40 - HG2 GLU 128 lone 3 100 - 3 - HA PHE 120 - HG3 GLU 128 lone 2 100 - 2 - HA PHE 120 - HG2 GLU 128 lone 2 100 - 2 - HA GLU 13 - HG2 GLU 128 lone 1 100 - 1 - HA GLU 13 - HG3 GLU 128 lone 1 100 - 1 - HA GLU 119 - HG2 GLU 128 lone 1 99 - 1 - HA GLU 119 - HG3 GLU 128 lone 1 99 - 1 - HA GLU 87 - HG2 GLU 128 lone 1 87 - 2 - HA GLU 87 - HG3 GLU 128 lone 1 87 - 2 - HA3 GLY 75 - HG2 GLU 128 lone 1 90 - 1 - HA3 GLY 75 - HG3 GLU 128 lone 1 90 - 1 - HA3 GLY 101 - HG2 GLU 128 lone 1 81 - 1 - HA3 GLY 101 - HG3 GLU 128 lone 1 81 - 1 - Peak 10882 from cnoeabs.peaks (7.56, 2.97, 38.17 ppm; 4.31 A): 2 out of 4 assignments used, quality = 0.82: HE21 GLN 25 + HB2 ASN 24 OK 57 100 - 57 - 10887=19, 10887/1.8=16...(7) HE21 GLN 25 + HB3 ASN 24 OK 57 100 - 57 - 10887=19, 10887/1.8=16...(7) H LEU 14 - HB2 ASN 24 lone 1 77 - 1 - H LEU 14 - HB3 ASN 24 lone 1 77 - 1 - Peak 10883 from cnoeabs.peaks (8.02, 2.97, 38.17 ppm; 4.64 A): 0 out of 8 assignments used, low quality = 0.00: H GLY 26 - HB3 ASN 24 lone 6 99 - 6 - 9210/10882=5 H GLY 26 - HB2 ASN 24 lone 6 99 - 6 - 9210/10882=5 H ARG 118 - HB2 ASN 24 lone 6 90 - 6 - 1778=2, 1778/1.8=2, 4.4/10886=2 H ARG 118 - HB3 ASN 24 lone 6 90 - 6 - 1778=2, 1778/1.8=2, 4.4/10886=2 H ILE 116 - HB3 ASN 24 lone 2 90 - 2 - H ILE 116 - HB2 ASN 24 lone 2 90 - 2 - H SER 72 - HB2 ASN 24 lone 1 96 - 1 - H SER 72 - HB3 ASN 24 lone 1 96 - 1 - Peak 10884 from cnoeabs.peaks (2.51, 2.97, 38.17 ppm; 5.34 A): 2 out of 6 assignments used, quality = 0.74: HG3 GLN 25 + HB3 ASN 24 OK 49 94 - 52 - 3.5/10882=19...(4) HG3 GLN 25 + HB2 ASN 24 OK 49 94 - 52 - 3.5/10882=19...(4) HG3 GLU 47 - HB3 ASN 24 lone 3 94 - 3 - 3.0/10886=1 HG3 GLU 47 - HB2 ASN 24 lone 3 94 - 3 - 3.0/10886=1 HG3 GLN 122 - HB3 ASN 24 lone 1 87 - 1 - HG3 GLN 122 - HB2 ASN 24 lone 1 87 - 1 - Peak 10885 from cnoeabs.peaks (2.38, 2.97, 38.17 ppm; 4.68 A): 2 out of 12 assignments used, quality = 0.69: HG2 GLN 25 + HB2 ASN 24 OK 44 100 - 44 - 3.5/10882=16...(4) HG2 GLN 25 + HB3 ASN 24 OK 44 100 - 44 - 3.5/10882=16...(4) HG3 MET 67 - HB3 ASN 24 lone 6 77 - 8 - 3.0/10886=3, ~10886=2 HG3 MET 67 - HB2 ASN 24 lone 6 77 - 8 - 3.0/10886=3, ~10886=2 HG2 GLU 98 - HB2 ASN 24 lone 3 100 - 3 - 3.0/10886=1, ~10886=1 HG2 GLU 98 - HB3 ASN 24 lone 3 100 - 3 - 3.0/10886=1, ~10886=1 HG2 GLU 66 - HB3 ASN 24 lone 2 90 - 2 - HG2 GLU 66 - HB2 ASN 24 lone 2 90 - 2 - HG2 GLU 13 - HB2 ASN 24 lone 1 61 - 2 - HG2 GLU 13 - HB3 ASN 24 lone 1 61 - 2 - HB3 TYR 27 - HB2 ASN 24 lone 1 96 - 1 - HB3 TYR 27 - HB3 ASN 24 lone 1 96 - 1 - Peak 10886 from cnoeabs.peaks (2.05, 2.97, 38.17 ppm; 5.35 A): 0 out of 36 assignments used, low quality = 0.21: HB3 MET 67 - HB2 ASN 24 OK 11 100 - 11 - 3.0/8023=3, 3.0/10885=2...(5) HB3 MET 67 - HB3 ASN 24 OK 11 100 - 11 - 3.0/8023=3, 3.0/10885=2...(5) HB VAL 117 - HB2 ASN 24 lone 8 99 - 8 - 4.4/10883=6 HB VAL 117 - HB3 ASN 24 lone 8 99 - 8 - 4.4/10883=6 HB3 GLU 98 - HB2 ASN 24 lone 5 100 - 5 - 11666/10882=2, 3.0/10885=1 HB3 GLU 98 - HB3 ASN 24 lone 5 100 - 5 - 11666/10882=2, 3.0/10885=1 HB2 GLU 47 - HB2 ASN 24 lone 3 99 - 3 - HB2 GLU 47 - HB3 ASN 24 lone 3 99 - 3 - HB2 GLU 13 - HB2 ASN 24 lone 3 84 - 3 - HB2 GLU 13 - HB3 ASN 24 lone 3 84 - 3 - HB2 GLU 66 - HB2 ASN 24 lone 3 90 - 3 - HB2 GLU 66 - HB3 ASN 24 lone 3 90 - 3 - HB3 GLN 100 - HB2 ASN 24 lone 2 100 - 2 - HB3 GLN 100 - HB3 ASN 24 lone 2 100 - 2 - HB3 GLN 85 - HB2 ASN 24 lone 2 90 - 2 - HB3 GLN 85 - HB3 ASN 24 lone 2 90 - 2 - HB2 GLU 92 - HB3 ASN 24 lone 2 100 - 2 - HB2 GLU 92 - HB2 ASN 24 lone 2 100 - 2 - HB3 GLU 87 - HB3 ASN 24 lone 1 90 - 2 - HB3 GLU 87 - HB2 ASN 24 lone 1 90 - 2 - HB2 GLN 28 - HB3 ASN 24 lone 1 90 - 2 - HB2 GLN 28 - HB2 ASN 24 lone 1 90 - 2 - HG3 GLU 52 - HB2 ASN 24 lone 1 97 - 1 - HG3 GLU 52 - HB3 ASN 24 lone 1 97 - 1 - HB2 GLU 89 - HB3 ASN 24 lone 1 90 - 2 - HB2 GLU 89 - HB2 ASN 24 lone 1 90 - 2 - HB3 GLU 89 - HB3 ASN 24 lone 1 90 - 2 - HB3 GLU 89 - HB2 ASN 24 lone 1 90 - 2 - HB3 GLU 48 - HB3 ASN 24 lone 1 90 - 1 - HB3 GLU 48 - HB2 ASN 24 lone 1 90 - 1 - HB2 GLU 48 - HB2 ASN 24 lone 1 90 - 1 - HB2 GLU 48 - HB3 ASN 24 lone 1 90 - 1 - HB3 GLU 91 - HB3 ASN 24 lone 1 65 - 1 - HB3 GLU 91 - HB2 ASN 24 lone 1 65 - 1 - HB2 LYS 94 - HB3 ASN 24 lone 1 61 - 1 - HB2 LYS 94 - HB2 ASN 24 lone 1 61 - 1 - Peak 10889 from cnoeabs.peaks (6.71, 2.21, 29.21 ppm; 4.71 A): 1 out of 6 assignments used, quality = 0.70: QE TYR 102 + HB2 GLN 100 OK 70 100 - 70 - 2.2/10892=27...(6) QD PHE 79 - HB2 GLN 100 lone 10 99 - 10 - 4640/3.0=4, 10890/1.8=3 QD PHE 79 - HB2 GLU 69 lone 7 81 - 8 - 4641/3.0=6 QE TYR 76 - HB2 GLN 100 lone 3 100 - 3 - QE TYR 102 - HB2 GLU 69 lone 2 84 - 2 - QE TYR 76 - HB2 GLU 69 lone 1 84 - 1 - Peak 10890 from cnoeabs.peaks (6.71, 2.05, 29.21 ppm; 5.24 A): 4 out of 21 assignments used, quality = 0.86: QE TYR 102 + HB3 GLN 100 OK 80 100 - 80 - 10889/1.8=34...(6) QD PHE 79 + HB3 GLN 100 OK 13 99 - 13 - 4640/3.0=5, 10889/1.8=5 QE TYR 102 + HB2 GLU 89 OK 10 90 - 11 - 2.2/10891=3, ~10891=2...(5) QE TYR 102 + HB3 GLU 89 OK 10 90 - 11 - 2.2/10891=3, ~10891=2...(5) QD PHE 79 - HB2 GLU 89 lone 7 87 - 8 - 4641/3.0=4 QD PHE 79 - HB3 GLU 89 lone 7 87 - 8 - 4641/3.0=4 QE TYR 102 - HB2 GLU 66 lone 5 89 - 6 - QE TYR 76 - HB3 GLN 100 lone 5 100 - 5 - 10889/1.8=2 QD PHE 79 - HB2 GLU 66 lone 4 86 - 5 - QD PHE 79 - HB2 GLU 92 lone 4 55 - 6 - 4641/3.0=3 QE TYR 76 - HB2 GLU 66 lone 3 89 - 4 - QE TYR 102 - HB3 GLU 98 lone 3 72 - 5 - 2.2/10891=1 QE TYR 76 - HB2 GLU 89 lone 3 90 - 3 - QE TYR 76 - HB3 GLU 89 lone 3 90 - 3 - QE TYR 102 - HB2 GLU 92 lone 2 58 - 4 - 2.2/4687=1 QE TYR 102 - HB3 GLN 85 lone 2 82 - 3 - QE TYR 76 - HB3 GLN 85 lone 2 83 - 2 - QD PHE 79 - HB3 GLN 85 lone 2 80 - 2 - QE TYR 76 - HB3 GLU 98 lone 1 72 - 2 - QD PHE 79 - HB3 GLU 98 lone 1 69 - 2 - QE TYR 76 - HB2 GLU 92 lone 1 58 - 2 - Peak 10891 from cnoeabs.peaks (6.97, 2.05, 29.21 ppm; 4.70 A): 1 out of 14 assignments used, quality = 0.64: QD TYR 102 + HB3 GLN 100 OK 64 87 - 74 - 10892/1.8=23, ~10889=20...(9) QD TYR 102 - HB2 GLU 89 lone 6 73 - 8 - 2.2/10890=2, ~10890=1...(5) QD TYR 102 - HB3 GLU 89 lone 6 73 - 8 - 2.2/10890=2, ~10890=1...(5) HZ PHE 79 - HB3 GLN 100 lone 4 65 - 5 - 10892/1.8=2, 3.8/10890=2 QD TYR 102 - HB3 GLU 98 lone 3 56 - 5 - 10146/10111=2 QD TYR 102 - HB2 GLU 66 lone 2 72 - 3 - HZ PHE 79 - HB2 GLU 89 lone 2 53 - 3 - 3.8/10890=1 HZ PHE 79 - HB3 GLU 89 lone 2 53 - 3 - 3.8/10890=1 QD TYR 102 - HB2 GLU 92 lone 2 44 - 4 - QD TYR 102 - HB3 GLN 85 lone 1 65 - 2 - HZ PHE 79 - HB2 GLU 66 lone 1 52 - 2 - HZ PHE 79 - HB3 GLU 98 lone 1 40 - 2 - HZ PHE 79 - HB3 GLN 85 lone 1 47 - 1 - HZ PHE 79 - HB2 GLU 92 lone 1 31 - 2 - Peak 10892 from cnoeabs.peaks (6.98, 2.21, 29.21 ppm; 5.25 A): 1 out of 4 assignments used, quality = 0.73: QD TYR 102 + HB2 GLN 100 OK 73 100 - 74 - 2.2/10889=33...(7) HZ PHE 79 - HB2 GLN 100 lone 6 96 - 6 - 3.8/10889=4, 10891/1.8=1 HZ PHE 79 - HB2 GLU 69 lone 3 76 - 4 - 3.8/10889=2 QD TYR 102 - HB2 GLU 69 lone 2 84 - 3 - Peak 10893 from cnoeabs.peaks (3.96, 2.44, 34.18 ppm; 5.12 A): 3 out of 3 assignments used, quality = 0.66: HA MET 67 + HG2 GLN 100 OK 40 84 - 48 - 10894/1.8=12...(10) HB3 SER 35 + HG2 GLN 100 OK 30 87 - 35 - 10894/1.8=9, 10164/3.5=8...(7) HA GLU 21 + HG2 GLN 100 OK 20 100 - 19 - 11179/4.9=6, 10894/1.8=6...(5) Peak 10894 from cnoeabs.peaks (3.96, 2.35, 34.18 ppm; 5.49 A): 4 out of 4 assignments used, quality = 0.86: HA MET 67 + HG3 GLN 100 OK 54 97 - 56 - 10893/1.8=19...(10) HB3 SER 35 + HG3 GLN 100 OK 41 98 - 42 - 10893/1.8=14...(6) HA ILE 97 + HG3 GLN 100 OK 32 70 - 46 - 10165/3.5=12...(8) HA GLU 21 + HG3 GLN 100 OK 24 96 - 24 - 10893/1.8=9, 11179/4.9=6...(5) Peak 10896 from cnoeabs.peaks (5.27, 1.86, 32.95 ppm; 5.76 A): 1 out of 2 assignments used, quality = 0.70: HA LEU 81 + HB2 ARG 105 OK 70 100 - 71 - 10685/4.1=43...(6) HA GLN 83 - HB2 ARG 105 lone 10 97 - 10 - 10685/4.1=4...(4) Peak 10897 from cnoeabs.peaks (1.83, 2.12, 35.23 ppm; 3.72 A): 3 out of 30 assignments used, quality = 0.52: HB ILE 18 + HG2 GLU 21 OK 25 60 - 42 - ~8006=10, ~8004=9...(7) HB ILE 18 + HG3 GLU 21 OK 22 52 - 42 - ~8006=10, ~8004=9...(7) HB3 LYS 19 + HB VAL 107 OK 17 100 - 17 - ~11460=6, 10783/2.1=3...(5) HB3 LYS 19 - HG2 GLU 21 lone 4 79 - 5 - 4.4/9201=3 HB2 LEU 14 - HB VAL 107 lone 3 90 - 4 - 3.1/11007=2 HB3 LYS 19 - HG3 GLU 21 lone 3 70 - 5 - 4.4/9201=3 HB ILE 57 - HB VAL 107 lone 3 90 - 3 - 11633/11607=1 HD2 LYS 123 - HB VAL 107 lone 2 94 - 3 - HB3 LYS 77 - HB VAL 107 lone 2 97 - 2 - HB2 LYS 77 - HB VAL 107 lone 2 94 - 2 - HD2 LYS 123 - HG2 GLU 21 lone 2 70 - 3 - HB3 ARG 105 - HB VAL 107 lone 2 65 - 2 - 11633/11607=1 HD2 LYS 123 - HG3 GLU 21 lone 2 61 - 2 - QE MET 121 - HB VAL 107 lone 1 99 - 1 - QE MET 121 - HG2 GLU 21 lone 1 77 - 1 - HB ILE 18 - HB VAL 107 lone 1 84 - 1 - QE MET 121 - HG3 GLU 21 lone 1 68 - 1 - HG LEU 70 - HG2 GLU 21 lone 1 57 - 1 - HG LEU 70 - HB VAL 107 lone 1 81 - 1 - HB2 LEU 14 - HG2 GLU 21 lone 1 65 - 1 - HG LEU 70 - HG3 GLU 21 lone 1 49 - 1 - HB2 LEU 14 - HG3 GLU 21 lone 1 57 - 1 - HB ILE 57 - HG2 GLU 21 lone 1 65 - 1 - HB ILE 57 - HG3 GLU 21 lone 0 57 - 1 - HB3 LYS 77 - HG2 GLU 21 lone 0 73 - 1 - HB2 LYS 77 - HG2 GLU 21 lone 0 70 - 1 - HB3 LYS 77 - HG3 GLU 21 lone 0 64 - 1 - HB2 LYS 77 - HG3 GLU 21 lone 0 61 - 1 - HB3 ARG 105 - HG2 GLU 21 lone 0 45 - 1 - HB3 ARG 105 - HG3 GLU 21 lone 0 39 - 1 - Peak 10898 from cnoeabs.peaks (1.40, 0.87, 20.76 ppm; 3.11 A): 3 out of 6 assignments used, quality = 0.77: QB ALA 113 + QG2 VAL 107 OK 53 87 - 61 - 2.1/10307=19...(12) HG3 LYS 106 + QG2 VAL 107 OK 40 99 - 41 - 3.9/10306=10, 681/4.0=7...(12) HB3 LEU 114 + QG2 VAL 107 OK 18 100 - 18 - 3.1/11417=5, 3.9/10442=4...(4) HG3 LYS 16 - QG2 VAL 107 lone 2 100 - 2 - HB3 LEU 68 - QG2 VAL 107 lone 1 70 - 2 - HG2 LYS 40 - QG2 VAL 107 lone 1 61 - 1 - Peak 10899 from cnoeabs.peaks (1.41, 0.76, 21.72 ppm; 3.22 A): 4 out of 9 assignments used, quality = 0.88: QB ALA 113 + QG1 VAL 107 OK 61 99 - 61 - 2.1/10314=20, 11513=18...(11) HB3 GLN 83 + QG1 VAL 107 OK 51 98 - 52 - 3.0/10310=10...(17) HG3 LYS 106 + QG1 VAL 107 OK 32 87 - 37 - 3.9/10311=11, 681/4.0=7...(10) HB3 LEU 63 + QG1 VAL 107 OK 11 87 - 12 - 3.0/11186=3, 11260/2.1=2...(6) HG12 ILE 56 - QG1 VAL 107 poor 9 84 - 10 - ~11417=2, 2.1/11707=2...(4) HB3 LEU 114 - QG1 VAL 107 poor 7 70 - 10 - 10898/2.1=3, ~11417=3, ~10445=2 HG3 LYS 17 - QG1 VAL 107 lone 2 77 - 3 - HG3 LYS 16 - QG1 VAL 107 lone 1 65 - 2 - HB3 LYS 61 - QG1 VAL 107 lone 0 65 - 0 - Peak 10901 from cnoeabs.peaks (2.72, 2.08, 29.19 ppm; 5.02 A): 4 out of 40 assignments used, quality = 0.94: HB3 ASP 109 + HB3 GLU 112 OK 72 87 - 83 - 10402/4.0=29...(13) HB3 ASP 109 + HB2 GLU 112 OK 72 87 - 84 - 10402/4.0=29...(13) HB3 ASP 109 + HB3 GLU 66 OK 13 63 - 20 - ~10356=9, 1.8/10358=4...(4) HG3 GLU 37 + HB3 GLU 69 OK 10 80 - 13 - 3511/2.9=2, ~3505=2...(8) HG3 GLU 37 - HB2 GLU 112 lone 8 89 - 9 - 10402/4.0=4, 10904/3.0=1 HG3 GLU 37 - HB3 GLU 112 lone 8 90 - 9 - 10402/4.0=4, 10904/3.0=1 HB3 ASN 50 - HB3 GLU 112 lone 4 92 - 4 - HB3 ASN 50 - HB2 GLU 112 lone 4 92 - 4 - HB2 ASN 50 - HB3 GLU 112 lone 4 90 - 4 - HB2 ASN 50 - HB2 GLU 112 lone 4 89 - 4 - HB3 ASN 50 - HB3 GLU 66 lone 4 68 - 6 - 11538/1.8=2, ~11538=2 HB2 ASN 50 - HB3 GLU 66 lone 4 66 - 6 - 11538/1.8=2, ~11538=2 HE3 LYS 53 - HB3 GLU 112 lone 3 100 - 3 - HE3 LYS 53 - HB2 GLU 112 lone 3 100 - 3 - HB3 ASP 109 - HB3 GLU 69 lone 3 78 - 3 - HG3 GLU 37 - HB3 GLU 66 lone 2 66 - 4 - HB3 ASN 50 - HB3 GLU 69 lone 1 83 - 2 - HB2 ASN 50 - HB3 GLU 69 lone 1 80 - 2 - HE2 LYS 19 - HB2 GLU 112 lone 1 65 - 2 - HE3 LYS 19 - HB2 GLU 112 lone 1 65 - 2 - HE2 LYS 19 - HB3 GLU 112 lone 1 65 - 2 - HE3 LYS 19 - HB3 GLU 112 lone 1 65 - 2 - HE3 LYS 53 - HB3 GLU 69 lone 1 94 - 1 - HB2 ASP 60 - HB3 GLU 112 lone 1 65 - 1 - HB2 ASP 60 - HB2 GLU 112 lone 1 65 - 1 - HE3 LYS 53 - HB3 GLU 66 lone 1 80 - 1 - HG3 GLU 37 - HB3 GLU 91 lone 1 33 - 2 - HE2 LYS 19 - HB3 GLU 69 lone 1 57 - 1 - HE3 LYS 19 - HB3 GLU 69 lone 1 57 - 1 - HE2 LYS 19 - HB3 GLU 66 lone 1 46 - 1 - HE3 LYS 19 - HB3 GLU 66 lone 1 46 - 1 - HB2 ASP 60 - HB3 GLU 69 lone 1 57 - 1 - HB3 ASP 109 - HB3 GLU 91 lone 0 31 - 2 - HB2 ASP 60 - HB3 GLU 66 lone 0 46 - 1 - HE3 LYS 53 - HB3 GLU 91 lone 0 41 - 1 - HB3 ASN 50 - HB3 GLU 91 lone 0 34 - 1 - HB2 ASN 50 - HB3 GLU 91 lone 0 33 - 1 - HE2 LYS 19 - HB3 GLU 91 lone 0 21 - 1 - HE3 LYS 19 - HB3 GLU 91 lone 0 21 - 1 - HB2 ASP 60 - HB3 GLU 91 lone 0 21 - 1 - Peak 10902 from cnoeabs.peaks (2.82, 2.08, 29.19 ppm; 4.91 A): 2 out of 20 assignments used, quality = 0.96: HB2 ASP 109 + HB3 GLU 112 OK 80 99 - 80 - 10403/4.0=26, 10358=17...(11) HB2 ASP 109 + HB2 GLU 112 OK 80 99 - 80 - 10403/4.0=26, 10358=17...(11) HB2 ASP 109 - HB3 GLU 66 OK 18 78 - 23 - 10356/3.0=11, 10358=4...(4) HB3 GLN 25 - HB3 GLU 112 lone 5 99 - 5 - 10403/4.0=2 HB3 GLN 25 - HB2 GLU 112 lone 5 99 - 5 - 10403/4.0=2 HB2 ASP 109 - HB3 GLU 69 lone 4 93 - 4 - HB3 ASN 10 - HB2 GLU 112 lone 3 100 - 3 - HB3 ASN 10 - HB3 GLU 112 lone 3 100 - 3 - HE2 LYS 77 - HB2 GLU 112 lone 3 99 - 3 - HE2 LYS 77 - HB3 GLU 112 lone 3 99 - 3 - HB3 GLN 25 - HB3 GLU 66 lone 3 77 - 3 - HB3 GLN 25 - HB3 GLU 69 lone 2 92 - 2 - HB3 ASN 10 - HB3 GLU 69 lone 1 93 - 1 - HB3 ASN 10 - HB3 GLU 66 lone 1 79 - 1 - HE2 LYS 77 - HB3 GLU 66 lone 1 77 - 1 - HE2 LYS 77 - HB3 GLU 69 lone 1 92 - 1 - HB2 ASP 109 - HB3 GLU 91 lone 1 40 - 1 - HB3 GLN 25 - HB3 GLU 91 lone 0 39 - 1 - HE2 LYS 77 - HB3 GLU 91 lone 0 39 - 1 - HB3 ASN 10 - HB3 GLU 91 lone 0 41 - 1 - Peak 10903 from cnoeabs.peaks (2.82, 2.34, 36.01 ppm; 4.62 A): 2 out of 15 assignments used, quality = 0.88: HB2 ASP 109 + HG2 GLU 112 OK 65 97 - 68 - 10403/4.9=18...(10) HB2 ASP 109 + HG3 GLU 112 OK 65 97 - 68 - 10403/4.9=18...(10) HB3 GLN 25 - HG2 GLU 112 lone 4 96 - 4 - 10403/4.9=1 HB3 GLN 25 - HG3 GLU 112 lone 4 95 - 4 - 10403/4.9=1 HB3 ASN 10 - HG2 GLU 112 lone 2 98 - 2 - HB3 ASN 10 - HG3 GLU 112 lone 2 98 - 2 - HE2 LYS 77 - HG2 GLU 112 lone 2 100 - 2 - HE2 LYS 77 - HG3 GLU 112 lone 2 100 - 2 - HB2 ASP 109 - HG3 GLU 103 lone 1 35 - 4 - HB2 ASP 36 - HG2 GLU 112 lone 0 61 - 1 - HB2 ASP 36 - HG3 GLU 112 lone 0 61 - 1 - HE2 LYS 77 - HG3 GLU 103 lone 0 39 - 1 - HB3 ASN 10 - HG3 GLU 103 lone 0 36 - 1 - HB3 GLN 25 - HG3 GLU 103 lone 0 34 - 1 - HB2 ASP 36 - HG3 GLU 103 lone 0 19 - 1 - Peak 10904 from cnoeabs.peaks (2.71, 2.34, 36.01 ppm; 4.85 A): 2 out of 21 assignments used, quality = 0.78: HB3 ASP 109 + HG2 GLU 112 OK 53 77 - 69 - 10402/4.9=22...(11) HB3 ASP 109 + HG3 GLU 112 OK 53 77 - 70 - 10402/4.9=22...(11) HG3 GLU 37 - HG2 GLU 112 lone 6 81 - 7 - 10402/4.9=3, 10901/3.0=1 HG3 GLU 37 - HG3 GLU 112 lone 6 80 - 7 - 10402/4.9=3, 10901/3.0=1 HB3 ASN 50 - HG2 GLU 112 lone 3 97 - 3 - HB3 ASN 50 - HG3 GLU 112 lone 3 97 - 3 - HB2 ASN 50 - HG2 GLU 112 lone 3 96 - 3 - HB2 ASN 50 - HG3 GLU 112 lone 3 95 - 3 - HE3 LYS 53 - HG2 GLU 112 lone 2 100 - 2 - HE3 LYS 53 - HG3 GLU 112 lone 2 100 - 2 - HE2 LYS 19 - HG3 GLU 112 lone 1 77 - 2 - HE3 LYS 19 - HG3 GLU 112 lone 1 77 - 2 - HE2 LYS 19 - HG2 GLU 112 lone 1 77 - 2 - HE3 LYS 19 - HG2 GLU 112 lone 1 77 - 2 - HB3 ASP 109 - HG3 GLU 103 lone 1 25 - 4 - HE3 LYS 53 - HG3 GLU 103 lone 0 38 - 1 - HB3 ASN 50 - HG3 GLU 103 lone 0 35 - 1 - HB2 ASN 50 - HG3 GLU 103 lone 0 34 - 1 - HG3 GLU 37 - HG3 GLU 103 lone 0 26 - 1 - HE2 LYS 19 - HG3 GLU 103 lone 0 25 - 1 - HE3 LYS 19 - HG3 GLU 103 lone 0 25 - 1 - Peak 10905 from cnoeabs.peaks (2.10, 0.97, 28.89 ppm; 6.20 A): 5 out of 36 assignments used, quality = 0.98: HB VAL 107 + HG13 ILE 116 OK 62 73 - 84 - ~10477=27, ~11187=27...(12) HB3 GLU 119 + HG13 ILE 116 OK 59 81 - 73 - ~11200=24, 8272/4.0=17...(10) HB2 GLU 112 + HG13 ILE 116 OK 54 73 - 73 - 4.6/740=17, ~10476=13...(13) HB2 GLU 119 + HG13 ILE 116 OK 52 70 - 75 - ~11200=24, 8272/4.0=17...(11) HB3 GLU 112 + HG13 ILE 116 OK 51 70 - 73 - 4.6/740=17, ~10476=13...(13) HB2 GLU 111 - HG13 ILE 116 OK 23 100 - 24 - ~11423=6, ~10476=5...(8) HB3 GLU 66 - HG13 ILE 116 OK 18 97 - 19 - ~11066=8, 10490/3.2=3...(5) HG3 GLU 21 - HG13 ILE 116 OK 16 99 - 16 - 10498/2.1=2, ~10498=2...(8) HG2 GLU 21 - HG13 ILE 116 OK 16 98 - 16 - 10498/2.1=2, ~10498=2...(8) HB2 GLU 103 - HD3 LYS 2 OK 12 59 - 20 - ~11166=10, ~11167=9 HB2 GLU 21 - HG13 ILE 116 poor 8 73 - 11 - ~10498=2, ~11416=2...(6) HB3 GLU 92 - HG13 ILE 116 lone 6 97 - 6 - 11199/3.2=1 HG3 GLN 83 - HG13 ILE 116 lone 5 70 - 8 - ~10486=3, ~10497=1, ~10907=1 HB3 GLU 69 - HG13 ILE 116 lone 5 90 - 5 - HB2 GLU 103 - HG13 ILE 116 lone 5 84 - 5 - 10490/3.2=1 HB2 GLU 87 - HG13 ILE 116 lone 4 98 - 4 - HB2 GLU 87 - HD3 LYS 2 lone 4 74 - 5 - ~11410=1, ~11409=1 HG2 GLU 52 - HG13 ILE 116 lone 3 100 - 3 - HB2 LEU 38 - HG13 ILE 116 lone 3 81 - 3 - HB3 GLU 47 - HG13 ILE 116 lone 3 92 - 3 - HB2 LEU 38 - HD3 LYS 2 lone 2 56 - 4 - HB3 GLU 66 - HD3 LYS 2 lone 2 73 - 3 - HB2 GLU 111 - HD3 LYS 2 lone 2 78 - 2 - HG3 GLU 21 - HD3 LYS 2 lone 1 77 - 2 - HG2 GLU 52 - HD3 LYS 2 lone 1 78 - 2 - HG2 GLU 21 - HD3 LYS 2 lone 1 74 - 2 - HB3 GLU 92 - HD3 LYS 2 lone 1 73 - 2 - HB3 GLU 47 - HD3 LYS 2 lone 1 67 - 2 - HB3 GLU 69 - HD3 LYS 2 lone 1 64 - 2 - HB2 GLU 112 - HD3 LYS 2 lone 1 50 - 2 - HB3 GLU 112 - HD3 LYS 2 lone 1 47 - 2 - HB3 GLU 119 - HD3 LYS 2 lone 1 56 - 2 - HB VAL 107 - HD3 LYS 2 lone 1 50 - 2 - HG3 GLN 83 - HD3 LYS 2 lone 1 47 - 2 - HB2 GLU 21 - HD3 LYS 2 lone 1 50 - 2 - HB2 GLU 119 - HD3 LYS 2 lone 1 47 - 2 - Peak 10906 from cnoeabs.peaks (2.10, 1.58, 28.89 ppm; 4.86 A): 5 out of 18 assignments used, quality = 0.95: HB VAL 107 + HG12 ILE 116 OK 52 73 - 71 - ~11417=18, ~10477=16...(13) HB3 GLU 119 + HG12 ILE 116 OK 46 81 - 57 - ~11200=15, 8272/4.0=13...(10) HB2 GLU 112 + HG12 ILE 116 OK 45 73 - 61 - 4.6/739=11, 10498/2.1=9...(13) HB3 GLU 112 + HG12 ILE 116 OK 43 70 - 61 - 4.6/739=11, 10498/2.1=9...(13) HB2 GLU 119 + HG12 ILE 116 OK 41 70 - 60 - ~11200=15, 8272/4.0=12...(11) HB2 GLU 111 - HG12 ILE 116 OK 16 100 - 16 - ~11423=4, ~10476=3...(6) HB3 GLU 66 - HG12 ILE 116 OK 12 97 - 13 - ~11066=5, 10498/2.1=2...(4) HG3 GLU 21 - HG12 ILE 116 OK 12 99 - 12 - 10498/2.1=2, ~10498=2...(5) HG2 GLU 21 - HG12 ILE 116 OK 11 98 - 11 - 10498/2.1=2, ~10498=2...(4) HB2 GLU 21 - HG12 ILE 116 lone 6 73 - 8 - ~10498=1, ~11416=1...(4) HB3 GLU 92 - HG12 ILE 116 lone 4 97 - 4 - HB3 GLU 69 - HG12 ILE 116 lone 4 90 - 4 - HG3 GLN 83 - HG12 ILE 116 lone 4 70 - 5 - ~10486=2 HB2 GLU 103 - HG12 ILE 116 lone 3 84 - 4 - 10490/3.2=1 HB2 GLU 87 - HG12 ILE 116 lone 2 98 - 3 - HB2 LEU 38 - HG12 ILE 116 lone 2 81 - 2 - HG2 GLU 52 - HG12 ILE 116 lone 2 100 - 2 - HB3 GLU 47 - HG12 ILE 116 lone 2 92 - 2 - Peak 10907 from cnoeabs.peaks (2.33, 1.58, 28.89 ppm; 5.37 A): 3 out of 8 assignments used, quality = 0.91: HB3 PHE 120 + HG12 ILE 116 OK 60 96 - 62 - ~4710=28, ~10467=19...(6) HG2 GLU 112 + HG12 ILE 116 OK 52 100 - 52 - 11339/2.1=16, ~11339=12...(10) HG3 GLU 112 + HG12 ILE 116 OK 51 100 - 51 - 11339/2.1=16, ~11339=12...(10) HG2 GLN 83 - HG12 ILE 116 lone 5 100 - 5 - ~10486=2 HG3 GLU 103 - HG12 ILE 116 lone 3 87 - 3 - HG2 GLU 92 - HG12 ILE 116 lone 3 61 - 4 - HG3 GLN 100 - HG12 ILE 116 lone 1 73 - 2 - HG3 GLU 48 - HG12 ILE 116 lone 1 73 - 1 - Peak 10908 from cnoeabs.peaks (2.62, 3.89, 60.17 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.88: HG3 MET 121 + HA ARG 118 OK 88 99 - 89 - 3.0/8286=45, 3.0/8284=42...(7) HE2 LYS 53 - HA ARG 118 lone 4 96 - 4 - HG3 MET 1 - HA ARG 118 lone 2 65 - 2 - Peak 10909 from cnoeabs.peaks (0.74, 2.06, 28.71 ppm; 4.52 A): 0 out of 30 assignments used, low quality = 0.00: QG2 ILE 54 - HB2 GLU 13 lone 7 98 - 7 - ~11216=4, 3.1/9499=1 QD2 LEU 55 - HB2 GLU 13 lone 4 99 - 4 - ~10945=1, ~10944=1 QD1 LEU 63 - HB2 GLU 13 lone 4 100 - 4 - 11610=1 QD1 LEU 63 - HB2 GLU 92 lone 4 53 - 7 - 11610=2, 11049/3.0=1, ~11048=1 QD2 LEU 6 - HB2 GLU 13 lone 3 99 - 3 - 11610=1 QG2 ILE 7 - HB2 GLU 13 lone 3 99 - 3 - 3.3/9076=1 QD1 LEU 63 - HB3 GLU 91 lone 3 63 - 4 - ~11663=1 QD1 LEU 45 - HB2 GLU 13 lone 1 81 - 2 - QD2 LEU 6 - HB2 GLU 92 lone 1 51 - 3 - HG13 ILE 18 - HB2 GLU 13 lone 1 90 - 1 - QD2 LEU 45 - HB2 GLU 13 lone 1 77 - 1 - QG2 ILE 54 - HB3 GLU 91 lone 1 59 - 2 - QD2 LEU 6 - HB3 GLU 91 lone 1 60 - 2 - QD2 LEU 45 - HB2 GLU 92 lone 1 35 - 3 - QG1 VAL 117 - HB2 GLU 13 lone 1 61 - 2 - QG2 ILE 7 - HB3 GLU 91 lone 1 61 - 1 - QG2 VAL 78 - HB2 GLU 13 lone 1 77 - 1 - QG2 ILE 7 - HB2 GLU 92 lone 1 52 - 1 - QD2 LEU 55 - HB3 GLU 91 lone 1 61 - 1 - QD2 LEU 45 - HB3 GLU 91 lone 1 41 - 2 - QD1 LEU 45 - HB2 GLU 92 lone 1 37 - 2 - QD2 LEU 55 - HB2 GLU 92 lone 1 52 - 1 - QG2 ILE 54 - HB2 GLU 92 lone 1 50 - 1 - QD1 LEU 45 - HB3 GLU 91 lone 1 44 - 1 - HG13 ILE 18 - HB3 GLU 91 lone 1 50 - 1 - QG2 VAL 78 - HB3 GLU 91 lone 1 41 - 1 - HG13 ILE 18 - HB2 GLU 92 lone 0 43 - 1 - QG2 VAL 78 - HB2 GLU 92 lone 0 35 - 1 - QG1 VAL 117 - HB2 GLU 92 lone 0 26 - 1 - QG1 VAL 117 - HB3 GLU 91 lone 0 32 - 1 - Peak 10910 from cnoeabs.peaks (2.42, 0.86, 22.48 ppm; 3.92 A): 1 out of 10 assignments used, quality = 0.79: HB2 ASP 110 + QD1 LEU 14 OK 79 100 - 79 - 3.0/9168=26...(12) HG2 GLN 62 - QD1 LEU 14 lone 2 99 - 2 - HG3 GLN 62 - QD1 LEU 14 lone 2 98 - 2 - HG2 GLN 85 - QD1 LEU 14 lone 2 90 - 2 - HG3 GLN 85 - QD1 LEU 14 lone 2 84 - 2 - HG2 GLU 91 - QD1 LEU 14 lone 1 100 - 1 - HG2 GLN 122 - QD1 LEU 14 lone 1 87 - 1 - HG3 GLU 98 - QD1 LEU 14 lone 1 61 - 1 - HG2 MET 1 - QD1 LEU 14 lone 1 90 - 1 - HG3 GLU 69 - QD1 LEU 14 lone 0 61 - 1 - Peak 10911 from cnoeabs.peaks (2.69, 0.86, 22.48 ppm; 4.47 A): 1 out of 8 assignments used, quality = 0.81: HB3 ASP 110 + QD1 LEU 14 OK 81 94 - 86 - 1.8/10910=40...(11) HB3 ASN 33 - QD1 LEU 14 lone 9 100 - 9 - 1.8/10794=3, 4.6/9319=2...(4) HE2 LYS 19 - QD1 LEU 14 lone 2 94 - 2 - HE3 LYS 19 - QD1 LEU 14 lone 2 94 - 2 - HE2 LYS 61 - QD1 LEU 14 lone 1 99 - 1 - HE3 LYS 61 - QD1 LEU 14 lone 1 73 - 1 - HB2 ASN 50 - QD1 LEU 14 lone 1 73 - 1 - HB3 ASN 50 - QD1 LEU 14 lone 1 70 - 1 - Peak 10912 from cnoeabs.peaks (4.26, 1.73, 30.33 ppm; 6.20 A): 3 out of 6 assignments used, quality = 0.87: HA ASP 12 + HG12 ILE 15 OK 77 84 - 92 - 7965/2.9=31, 9156/3.2=30...(10) HA GLU 52 + HG12 ILE 15 OK 29 100 - 29 - ~11351=10, ~10801=9...(6) HA GLU 41 + HG12 ILE 15 OK 18 100 - 18 - 9398/2.1=6, 9178/3.2=4...(5) HA VAL 32 - HG12 ILE 15 lone 4 87 - 5 - HA ALA 46 - HG12 ILE 15 lone 3 96 - 3 - HA GLU 47 - HG12 ILE 15 lone 2 92 - 3 - Peak 10913 from cnoeabs.peaks (1.60, 0.85, 17.08 ppm; 3.28 A): 0 out of 22 assignments used, low quality = 0.33: HD2 LYS 19 - QG2 ILE 5 OK 13 88 - 15 - 10786=3, 1.8/10786=3...(5) HD3 LYS 19 - QG2 ILE 5 OK 13 88 - 15 - 10786=3, 1.8/10786=3...(5) HG3 LYS 19 - QG2 ILE 15 OK 11 98 - 11 - 456/4.1=4, 3.0/10786=2...(5) HD3 LYS 19 - QG2 ILE 15 poor 10 96 - 10 - 10786=2, 1.8/10786=2...(5) HD2 LYS 19 - QG2 ILE 15 poor 10 96 - 10 - 10786=2, 1.8/10786=2...(5) HG3 LYS 19 - QG2 ILE 5 lone 9 91 - 10 - 3.0/10786=2, 3.0/10786=2...(4) HG2 LYS 73 - QG2 ILE 15 lone 4 99 - 5 - 7671/4.1=3 HG LEU 68 - QG2 ILE 5 lone 3 72 - 4 - ~9768=2 HG LEU 82 - QG2 ILE 15 lone 2 99 - 2 - HG12 ILE 116 - QG2 ILE 5 lone 2 58 - 3 - HG3 LYS 40 - QG2 ILE 15 lone 1 65 - 2 - 1106/4.1=1 HB3 LEU 127 - QG2 ILE 15 lone 1 90 - 1 - HG LEU 68 - QG2 ILE 15 lone 1 81 - 2 - HB3 LEU 127 - QG2 ILE 5 lone 1 81 - 2 - HG12 ILE 116 - QG2 ILE 15 lone 1 65 - 1 - HG LEU 82 - QG2 ILE 5 lone 1 93 - 1 - HG2 LYS 73 - QG2 ILE 5 lone 1 92 - 1 - HB2 LEU 82 - QG2 ILE 15 lone 1 61 - 1 - HG LEU 63 - QG2 ILE 5 lone 1 58 - 1 - HB2 LEU 82 - QG2 ILE 5 lone 1 54 - 1 - HG3 LYS 40 - QG2 ILE 5 lone 0 58 - 1 - HG LEU 63 - QG2 ILE 15 lone 0 65 - 1 - Peak 10914 from cnoeabs.peaks (0.67, 1.92, 33.06 ppm; 4.27 A): 4 out of 7 assignments used, quality = 0.83: QD2 LEU 114 + HB3 LYS 17 OK 69 100 - 69 - 10915/1.8=17...(14) QD1 ILE 56 + HB3 LYS 17 OK 27 96 - 28 - 10915/1.8=8, 10918/3.0=7...(7) QD1 ILE 116 + HB3 LYS 17 OK 16 90 - 18 - 10499=3, 10915/1.8=3...(8) QD2 LEU 4 + HB3 LYS 17 OK 12 94 - 13 - 10919/3.7=4, 10918/3.0=3...(4) QD1 LEU 55 - HB3 LYS 17 lone 8 77 - 10 - ~11245=3, 11246/1.8=2...(4) QD1 ILE 71 - HB3 LYS 17 lone 8 77 - 10 - 10918/3.0=3, 10915/1.8=3 QG2 ILE 97 - HB3 LYS 17 lone 6 84 - 7 - Peak 10915 from cnoeabs.peaks (0.66, 1.99, 33.06 ppm; 4.54 A): 5 out of 5 assignments used, quality = 0.84: QD2 LEU 114 + HB2 LYS 17 OK 68 96 - 72 - 10914/1.8=19...(13) QD1 ILE 56 + HB2 LYS 17 OK 30 100 - 30 - 10918/3.0=9, 10914/1.8=7...(7) QD2 LEU 4 + HB2 LYS 17 OK 11 73 - 14 - 10919/3.7=4, 10914/1.8=3...(4) QD1 ILE 71 + HB2 LYS 17 OK 11 96 - 11 - 10918/3.0=4, 10919/3.7=2...(4) QD1 ILE 116 + HB2 LYS 17 OK 11 65 - 16 - 10914/1.8=4, 10918/3.0=3...(7) Peak 10917 from cnoeabs.peaks (0.68, 1.75, 25.82 ppm; 5.21 A): 6 out of 7 assignments used, quality = 0.91: QD2 LEU 114 + HG2 LYS 17 OK 72 99 - 73 - 11514/3.0=22...(10) QD1 ILE 56 + HG2 LYS 17 OK 27 81 - 34 - 10918/1.8=8, 10919/3.0=7...(7) QD1 ILE 116 + HG2 LYS 17 OK 20 99 - 20 - 10914/3.0=5, 10476/3.9=3...(7) QG2 ILE 56 + HG2 LYS 17 OK 20 61 - 32 - ~10918=8, ~10915=5...(8) QD2 LEU 4 + HG2 LYS 17 OK 19 100 - 19 - 10919/3.0=5, 10914/3.0=3...(6) QD1 LEU 55 + HG2 LYS 17 OK 11 94 - 12 - 11246/3.0=3, ~11245=3...(4) QG2 ILE 97 - HG2 LYS 17 lone 7 97 - 8 - 10914/3.0=2, ~10130=2, 11107=1 Peak 10918 from cnoeabs.peaks (0.66, 1.43, 25.82 ppm; 4.08 A): 4 out of 5 assignments used, quality = 0.74: QD2 LEU 114 + HG3 LYS 17 OK 56 96 - 59 - 11514/3.0=14...(10) QD1 ILE 56 + HG3 LYS 17 OK 27 100 - 27 - 10919/3.0=6, 10915/3.0=6...(8) QD1 ILE 71 + HG3 LYS 17 OK 11 96 - 12 - 9777=3, 10915/3.0=2...(5) QD2 LEU 4 + HG3 LYS 17 OK 10 73 - 14 - 10919/3.0=4, 10914/3.0=2...(6) QD1 ILE 116 - HG3 LYS 17 poor 9 65 - 14 - 10914/3.0=3, 10915/3.0=2...(7) Peak 10919 from cnoeabs.peaks (0.67, 1.68, 29.70 ppm; 4.26 A): 5 out of 7 assignments used, quality = 0.85: QD2 LEU 114 + HD2 LYS 17 OK 66 99 - 67 - 11514/1.8=20...(11) QD1 ILE 56 + HD2 LYS 17 OK 31 99 - 31 - 10918/3.0=8, 9550/1.8=6...(9) QD2 LEU 4 + HD2 LYS 17 OK 20 84 - 23 - 2.1/10735=4, 10734=3...(10) QD1 ILE 71 + HD2 LYS 17 OK 10 90 - 11 - 10918/3.0=3, 10915/3.7=2...(4) QD1 ILE 116 + HD2 LYS 17 OK 10 77 - 13 - 10914/3.7=3, 10918/3.0=3...(6) QD1 LEU 55 - HD2 LYS 17 lone 5 61 - 7 - 10914/3.7=1, 10917/3.0=1 QG2 ILE 97 - HD2 LYS 17 lone 3 70 - 5 - 10914/3.7=1 Peak 10920 from cnoeabs.peaks (0.65, 1.52, 29.70 ppm; 5.19 A): 6 out of 7 assignments used, quality = 0.88: QD2 LEU 114 + HD3 LYS 17 OK 51 70 - 74 - 10918/3.0=18...(14) QD1 ILE 56 + HD3 LYS 17 OK 38 96 - 40 - 10918/3.0=9, 10919/1.8=8...(10) HG13 ILE 15 + HD3 LYS 17 OK 30 70 - 43 - 3.2/11480=13...(9) QD1 LEU 4 + HD3 LYS 17 OK 22 90 - 24 - 9045/2.9=5, ~10919=5...(8) QD1 ILE 71 + HD3 LYS 17 OK 15 100 - 14 - 9777/3.0=4, 10915/3.7=3...(5) QG1 VAL 22 + HD3 LYS 17 OK 12 77 - 16 - 2.1/11480=5, ~11478=3...(5) QD1 ILE 54 - HD3 LYS 17 lone 2 65 - 3 - Peak 10921 from cnoeabs.peaks (3.70, 0.61, 13.41 ppm; 6.14 A): 2 out of 2 assignments used, quality = 0.74: HA LEU 114 + QD1 ILE 18 OK 68 87 - 79 - 11126=30, 3.0/11023=23...(10) HA LEU 114 + QD1 ILE 5 OK 18 62 - 29 - 11126=6, 3.0/11023=6...(7) Peak 10923 from cnoeabs.peaks (1.58, 0.90, 21.87 ppm; 4.00 A): 6 out of 28 assignments used, quality = 0.94: HD3 LYS 19 + QG2 VAL 29 OK 49 70 - 70 - ~10926=17, 5.4/9247=15...(12) HD2 LYS 19 + QG2 VAL 29 OK 49 70 - 70 - ~10926=17, 5.4/9247=15...(12) HG3 LYS 19 + QG2 VAL 29 OK 49 61 - 79 - 3.8/9247=24, ~10926=23...(13) HG LEU 55 + QG2 VAL 29 OK 38 90 - 42 - 3.0/9502=14, ~9513=11...(7) HG LEU 55 + QG2 VAL 104 OK 23 51 - 46 - 10227/2.1=13...(10) HG2 LYS 115 + QG2 VAL 104 OK 12 40 - 31 - 10227/2.1=9, ~10225=6...(9) HG3 LYS 96 - QG2 VAL 104 lone 4 58 - 8 - 10227/2.1=3, 5.0/216=2 HD3 LYS 106 - QG2 VAL 104 lone 4 42 - 10 - 3.0/10288=2, 6.1/10279=2...(4) HG12 ILE 116 - QG2 VAL 104 lone 4 58 - 7 - 10227/2.1=2, ~10230=2, ~10223=1 HD2 LYS 106 - QG2 VAL 104 lone 4 40 - 10 - 3.0/10288=2, 6.1/10279=2...(4) HG2 LYS 123 - QG2 VAL 29 lone 4 100 - 4 - ~10612=1 HG LEU 68 - QG2 VAL 104 lone 2 51 - 5 - ~10224=1, 10227/2.1=1 HG2 LYS 123 - QG2 VAL 104 lone 2 63 - 4 - HG12 ILE 3 - QG2 VAL 29 lone 2 73 - 2 - HG2 LYS 115 - QG2 VAL 29 lone 1 73 - 2 - HB3 LEU 70 - QG2 VAL 29 lone 1 97 - 1 - HD3 LYS 106 - QG2 VAL 29 lone 1 77 - 2 - HD2 LYS 106 - QG2 VAL 29 lone 1 73 - 2 - HG3 LYS 96 - QG2 VAL 29 lone 1 97 - 1 - HD2 LYS 19 - QG2 VAL 104 lone 1 37 - 3 - HD3 LYS 19 - QG2 VAL 104 lone 1 37 - 3 - HB3 LEU 70 - QG2 VAL 104 lone 1 58 - 2 - HG3 LYS 19 - QG2 VAL 104 lone 1 32 - 4 - HG2 LYS 44 - QG2 VAL 104 lone 1 61 - 2 - HG12 ILE 116 - QG2 VAL 29 lone 1 97 - 1 - HG LEU 68 - QG2 VAL 29 lone 1 90 - 1 - HG2 LYS 44 - QG2 VAL 29 lone 1 99 - 1 - HG12 ILE 3 - QG2 VAL 104 lone 1 40 - 2 - Peak 10924 from cnoeabs.peaks (1.58, 0.80, 21.46 ppm; 3.47 A): 4 out of 14 assignments used, quality = 0.86: HD2 LYS 19 + QG1 VAL 29 OK 44 70 - 64 - 3.0/10926=22...(11) HD3 LYS 19 + QG1 VAL 29 OK 44 70 - 64 - 3.0/10926=22...(11) HG3 LYS 19 + QG1 VAL 29 OK 43 61 - 69 - 1.8/10926=28...(12) HG LEU 55 + QG1 VAL 29 OK 23 90 - 26 - ~9513=8, ~9502=6...(6) HG2 LYS 123 - QG1 VAL 29 lone 2 100 - 2 - 1.8/10612=1 HG12 ILE 3 - QG1 VAL 29 lone 1 73 - 2 - HG2 LYS 115 - QG1 VAL 29 lone 1 73 - 2 - HD3 LYS 106 - QG1 VAL 29 lone 1 77 - 1 - HG12 ILE 116 - QG1 VAL 29 lone 1 97 - 1 - HD2 LYS 106 - QG1 VAL 29 lone 1 73 - 1 - HB3 LEU 70 - QG1 VAL 29 lone 1 97 - 1 - HG3 LYS 96 - QG1 VAL 29 lone 1 97 - 1 - HG LEU 68 - QG1 VAL 29 lone 1 90 - 1 - HG2 LYS 44 - QG1 VAL 29 lone 0 99 - 0 - Peak 10926 from cnoeabs.peaks (1.09, 0.80, 21.46 ppm; 3.96 A): 1 out of 4 assignments used, quality = 0.79: HG2 LYS 19 + QG1 VAL 29 OK 79 100 - 79 - 10784=18, 3.8/9249=17...(13) QG2 ILE 3 - QG1 VAL 29 lone 2 65 - 3 - 11657/2.1=1 HD3 LYS 61 - QG1 VAL 29 lone 1 100 - 1 - HG2 LYS 53 - QG1 VAL 29 lone 1 96 - 1 - Peak 10927 from cnoeabs.peaks (0.66, 1.50, 26.70 ppm; 4.56 A): 3 out of 6 assignments used, quality = 0.79: QD1 ILE 56 + HG2 ARG 30 OK 69 100 - 69 - 11360/4.9=21...(9) QD1 ILE 71 + HG2 ARG 30 OK 20 94 - 21 - 9777/1.8=5, 9262/3.0=4...(6) QD2 LEU 4 + HG2 ARG 30 OK 16 77 - 21 - 11554/3.9=8, 9257/2.8=5...(6) QD2 LEU 114 - HG2 ARG 30 lone 9 97 - 9 - 11514/2.8=3, 9259/2.8=2...(4) QG2 ILE 97 - HG2 ARG 30 lone 4 61 - 7 - 9257/2.8=2, 9259/2.8=1, ~9256=1 QD1 ILE 116 - HG2 ARG 30 lone 2 70 - 3 - Peak 10928 from cnoeabs.peaks (1.89, 0.76, 21.14 ppm; 3.57 A): 2 out of 20 assignments used, quality = 0.61: HB ILE 7 + QG2 VAL 32 OK 50 100 - 50 - 10929/2.1=14, ~11076=7...(12) QE MET 67 + QG2 VAL 32 OK 22 84 - 27 - 9724/2.1=8, 4.3/9708=4...(9) HB3 LYS 16 - QG2 VAL 32 lone 4 87 - 5 - 10929/2.1=1 HB2 LYS 16 - QG2 VAL 32 lone 4 84 - 5 - 10929/2.1=1 HB3 LYS 73 - QG2 VAL 32 lone 4 100 - 4 - HB2 LYS 73 - QG2 VAL 32 lone 4 100 - 4 - HB2 LYS 96 - QG2 VAL 32 lone 3 96 - 3 - HB2 LEU 45 - QG2 VAL 32 lone 3 90 - 3 - HB ILE 71 - QG2 VAL 32 lone 3 100 - 3 - 8147/9290=1 HG LEU 45 - QG2 VAL 32 lone 3 90 - 3 - HB2 GLU 128 - QG2 VAL 32 lone 2 96 - 2 - HB3 LYS 44 - QG2 VAL 32 lone 2 84 - 2 - HB3 LYS 20 - QG2 VAL 32 lone 1 100 - 1 - HB2 LYS 20 - QG2 VAL 32 lone 1 100 - 1 - HB2 ARG 95 - QG2 VAL 32 lone 1 99 - 1 - HB2 LYS 44 - QG2 VAL 32 lone 1 65 - 2 - HB2 LYS 49 - QG2 VAL 32 lone 1 98 - 1 - HB3 LYS 43 - QG2 VAL 32 lone 1 96 - 1 - HB2 LYS 43 - QG2 VAL 32 lone 1 81 - 1 - HG2 ARG 95 - QG2 VAL 32 lone 1 70 - 1 - Peak 10929 from cnoeabs.peaks (1.89, 0.87, 21.73 ppm; 3.39 A): 3 out of 20 assignments used, quality = 0.75: HB ILE 7 + QG1 VAL 32 OK 56 99 - 57 - 10928/2.1=13...(13) QE MET 67 + QG1 VAL 32 OK 28 97 - 30 - 9724=8, 10928/2.1=6...(9) HB2 LEU 63 + QG1 VAL 32 OK 19 73 - 26 - 3.0/10931=8, ~10791=4...(9) HB3 LYS 16 - QG1 VAL 32 lone 5 98 - 5 - 3.0/10931=1, 10928/2.1=1 HB2 LYS 16 - QG1 VAL 32 lone 5 97 - 5 - 3.0/10931=1, 10928/2.1=1 HB3 LYS 73 - QG1 VAL 32 lone 4 97 - 4 - 10928/2.1=1 HB2 LYS 73 - QG1 VAL 32 lone 4 96 - 4 - 10928/2.1=1 HB2 LYS 96 - QG1 VAL 32 lone 3 81 - 3 - HG LEU 45 - QG1 VAL 32 lone 2 99 - 3 - HB2 GLU 128 - QG1 VAL 32 lone 2 81 - 2 - HB2 LEU 45 - QG1 VAL 32 lone 2 70 - 2 - HB3 LYS 20 - QG1 VAL 32 lone 2 100 - 2 - HB2 LYS 20 - QG1 VAL 32 lone 2 100 - 2 - HB ILE 71 - QG1 VAL 32 lone 1 94 - 1 - HB2 ARG 95 - QG1 VAL 32 lone 1 92 - 1 - HB2 LYS 49 - QG1 VAL 32 lone 1 87 - 1 - HG2 ARG 95 - QG1 VAL 32 lone 1 90 - 1 - HB3 LYS 44 - QG1 VAL 32 lone 1 61 - 2 - HB3 ARG 118 - QG1 VAL 32 lone 1 73 - 1 - HB3 LYS 43 - QG1 VAL 32 lone 1 81 - 1 - Peak 10930 from cnoeabs.peaks (1.46, 0.87, 21.73 ppm; 3.39 A): 3 out of 15 assignments used, quality = 0.85: HB3 LEU 38 + QG1 VAL 32 OK 61 100 - 61 - 2.9/9288=20...(8) HG12 ILE 7 + QG1 VAL 32 OK 53 100 - 53 - 2.1/11584=14...(10) HG2 LYS 39 + QG1 VAL 32 OK 19 100 - 19 - 11039/2.1=7, 4.9/9279=5...(6) HG2 LYS 106 - QG1 VAL 32 lone 10 100 - 10 - 10286=1, 1.8/10288=1 HB3 LEU 6 - QG1 VAL 32 lone 7 100 - 7 - 10954/2.1=2...(3) HG12 ILE 57 - QG1 VAL 32 lone 6 100 - 6 - ~10791=4, 4.6/1374=1 HG3 ARG 30 - QG1 VAL 32 lone 3 97 - 4 - ~9260=2, 9303/2.1=1 HG3 LYS 73 - QG1 VAL 32 lone 2 61 - 3 - HG2 LYS 96 - QG1 VAL 32 lone 2 61 - 3 - HB2 LEU 74 - QG1 VAL 32 lone 1 97 - 1 - HG LEU 4 - QG1 VAL 32 lone 1 96 - 1 - HG2 LYS 49 - QG1 VAL 32 lone 1 100 - 1 - HG3 LYS 49 - QG1 VAL 32 lone 1 100 - 1 - HG3 LYS 20 - QG1 VAL 32 lone 1 70 - 1 - HG LEU 80 - QG1 VAL 32 lone 1 65 - 1 - Peak 10931 from cnoeabs.peaks (1.61, 0.87, 21.73 ppm; 4.34 A): 2 out of 12 assignments used, quality = 0.46: HG LEU 63 + QG1 VAL 32 OK 34 99 - 35 - ~10791=10, 11254=8...(8) HB3 LEU 64 + QG1 VAL 32 OK 18 81 - 22 - 3.0/9288=8, 3.6/9278=7...(4) HG3 LYS 19 - QG1 VAL 32 poor 9 61 - 14 - 4.0/9297=3, 4.0/9297=3...(5) HG2 LYS 16 - QG1 VAL 32 lone 5 87 - 6 - 3.0/10929=1, 3.0/10929=1 HG2 LYS 73 - QG1 VAL 32 lone 3 65 - 5 - 2.9/10929=1, 2.9/10929=1 HB ILE 116 - QG1 VAL 32 lone 3 77 - 4 - HG3 LYS 40 - QG1 VAL 32 lone 3 99 - 3 - 4.8/9392=2 HB2 LEU 82 - QG1 VAL 32 lone 2 98 - 2 - HD3 LYS 77 - QG1 VAL 32 lone 2 96 - 2 - HD2 LYS 77 - QG1 VAL 32 lone 2 94 - 2 - HG LEU 82 - QG1 VAL 32 lone 1 70 - 2 - HB3 LEU 127 - QG1 VAL 32 lone 1 100 - 1 - Peak 10932 from cnoeabs.peaks (2.41, 1.52, 27.18 ppm; 6.20 A): 7 out of 9 assignments used, quality = 0.91: HG3 MET 67 + HG LEU 38 OK 54 61 - 88 - ~10991=34, ~9711=25...(12) HG2 MET 1 + HG LEU 38 OK 40 77 - 52 - ~10994=17, ~10878=15...(7) HG2 GLN 85 + HG LEU 38 OK 33 97 - 34 - ~11404=6, 11406/2.1=5...(10) HG3 GLN 85 + HG LEU 38 OK 32 94 - 34 - ~11404=6, 11406/2.1=5...(10) HG2 GLN 62 + HG LEU 38 OK 12 100 - 12 - 11406/2.1=2, ~10990=2...(7) HG3 GLN 62 + HG LEU 38 OK 12 100 - 12 - 11406/2.1=2, ~10990=2...(7) HB2 ASP 110 + HG LEU 38 OK 10 100 - 10 - 10375=2, 7867/5.1=2...(4) HG2 GLN 122 - HG LEU 38 lone 3 96 - 3 - HG2 GLU 91 - HG LEU 38 lone 2 100 - 2 - Peak 10933 from cnoeabs.peaks (4.53, 1.70, 25.42 ppm; 5.38 A): 2 out of 4 assignments used, quality = 0.84: HA ASP 36 + HG3 LYS 39 OK 81 97 - 84 - 10934/1.8=24...(11) HA GLU 103 + HG3 LYS 39 OK 15 61 - 25 - 10934/1.8=7, 8039/2.9=4...(9) HA ASP 36 - HG3 LYS 123 poor 10 63 - 15 - ~7097=3, 9345=2...(8) HA GLU 103 - HG3 LYS 123 lone 1 35 - 2 - Peak 10934 from cnoeabs.peaks (4.52, 1.46, 25.42 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.92: HA ASP 36 + HG2 LYS 39 OK 89 100 - 89 - 10933/1.8=36...(13) HA GLU 103 + HG2 LYS 39 OK 24 77 - 30 - 10933/1.8=7, 2035/4.9=5...(9) Peak 10935 from cnoeabs.peaks (4.11, 1.70, 25.42 ppm; 4.33 A): 0 out of 14 assignments used, low quality = 0.00: HA GLN 62 - HG3 LYS 39 lone 8 96 - 8 - 8104/2.9=3, 8104/2.9=2 HA MET 1 - HG3 LYS 39 lone 7 99 - 7 - 10721/7476=3...(3) HB2 SER 72 - HG3 LYS 123 lone 2 59 - 4 - 4.0/445=2 HB3 SER 72 - HG3 LYS 123 lone 2 59 - 4 - 4.0/445=2 HB2 SER 72 - HG3 LYS 39 lone 2 94 - 2 - HB3 SER 72 - HG3 LYS 39 lone 2 94 - 2 - HA GLN 62 - HG3 LYS 123 lone 2 61 - 3 - 8104/2.9=1 HA3 GLY 26 - HG3 LYS 39 lone 1 84 - 1 - HA MET 1 - HG3 LYS 123 lone 1 65 - 2 - HA ASP 110 - HG3 LYS 39 lone 1 65 - 1 - HA VAL 22 - HG3 LYS 39 lone 0 61 - 1 - HA3 GLY 26 - HG3 LYS 123 lone 0 50 - 1 - HA VAL 22 - HG3 LYS 123 lone 0 35 - 1 - HA ASP 110 - HG3 LYS 123 lone 0 37 - 1 - Peak 10936 from cnoeabs.peaks (4.52, 1.71, 29.31 ppm; 5.00 A): 2 out of 8 assignments used, quality = 0.96: HA ASP 36 + HD2 LYS 39 OK 81 100 - 81 - 10933/3.0=23...(11) HA ASP 36 + HD3 LYS 39 OK 81 100 - 81 - 10933/3.0=23...(11) HA GLU 103 - HD2 LYS 39 OK 16 77 - 21 - 10934/3.0=5, 10933/3.0=4...(7) HA GLU 103 - HD3 LYS 39 OK 16 77 - 21 - 10934/3.0=5, 10933/3.0=4...(7) HA ASP 36 - HD3 LYS 44 lone 4 85 - 5 - HA ASP 36 - HD2 LYS 44 lone 4 82 - 5 - HA GLU 103 - HD3 LYS 44 lone 1 60 - 2 - HA GLU 103 - HD2 LYS 44 lone 1 57 - 2 - Peak 10937 from cnoeabs.peaks (4.24, 1.71, 29.31 ppm; 4.16 A): 0 out of 24 assignments used, low quality = 0.20: HA GLU 41 - HD3 LYS 44 OK 11 47 - 24 - 8070/6.4=6, 9397/2.9=5...(6) HA GLU 41 - HD2 LYS 44 OK 10 44 - 24 - 8070/6.4=6, 9397/2.9=5...(6) HA VAL 32 - HD2 LYS 39 lone 10 99 - 10 - ~11039=4, ~11038=2...(4) HA VAL 32 - HD3 LYS 39 lone 10 99 - 10 - ~11039=4, ~11038=2...(4) HA ALA 46 - HD3 LYS 44 lone 5 79 - 6 - 2060/6.4=2, ~425=2, 9454/3.7=1 HA ALA 46 - HD2 LYS 44 lone 5 75 - 6 - 2060/6.4=2, ~425=2, 9454/3.7=1 HA GLU 47 - HD3 LYS 44 lone 4 82 - 5 - 2060/6.4=1 HA GLU 47 - HD2 LYS 44 lone 3 78 - 5 - 2060/6.4=1 HA LEU 74 - HD3 LYS 44 lone 2 53 - 4 - HA GLU 41 - HD2 LYS 39 lone 2 61 - 3 - HA GLU 41 - HD3 LYS 39 lone 2 61 - 3 - HA LEU 74 - HD2 LYS 44 lone 2 51 - 3 - HA LEU 74 - HD2 LYS 39 lone 1 70 - 2 - HA LEU 74 - HD3 LYS 39 lone 1 69 - 2 - HA VAL 32 - HD3 LYS 44 lone 1 84 - 2 - HA VAL 32 - HD2 LYS 44 lone 1 81 - 2 - HA ALA 46 - HD2 LYS 39 lone 1 96 - 1 - HA ALA 46 - HD3 LYS 39 lone 1 95 - 1 - HA GLU 47 - HD2 LYS 39 lone 1 98 - 1 - HA GLU 47 - HD3 LYS 39 lone 1 98 - 1 - HA GLU 52 - HD2 LYS 39 lone 1 81 - 1 - HA GLU 52 - HD3 LYS 39 lone 1 80 - 1 - HA GLU 52 - HD3 LYS 44 lone 1 63 - 1 - HA GLU 52 - HD2 LYS 44 lone 0 60 - 1 - Peak 10938 from cnoeabs.peaks (0.72, 1.65, 39.53 ppm; 3.59 A): 7 out of 11 assignments used, quality = 0.89: QD1 LEU 6 + HB ILE 5 OK 43 98 - 44 - 11342/4.5=16...(8) QD2 LEU 55 + HB ILE 5 OK 40 77 - 52 - 2.1/10939=19...(10) QD2 LEU 6 + HB ILE 5 OK 30 81 - 37 - 2.1/11537=13, 11611=9...(8) QG1 VAL 117 + HB ILE 5 OK 23 100 - 23 - 10510/2.9=5, ~10524=4...(9) QG2 ILE 18 + HB ILE 5 OK 18 100 - 18 - 2920/3.2=4, ~2906=2...(8) HG13 ILE 18 + HB ILE 5 OK 18 96 - 19 - 10779/2.1=4, 10779/2.9=3...(8) QG2 VAL 78 + HB ILE 5 OK 16 99 - 16 - 11377/3.0=6, 1048/4.5=3...(5) QD2 LEU 81 - HB ILE 5 lone 3 77 - 4 - 1048/4.5=2 QD1 ILE 57 - HB ILE 5 lone 2 81 - 2 - 1048/4.5=2 QD2 LEU 45 - HB ILE 5 lone 1 99 - 1 - QD2 LEU 63 - HB ILE 5 lone 1 87 - 2 - Peak 10939 from cnoeabs.peaks (0.68, 1.65, 39.53 ppm; 3.56 A): 2 out of 7 assignments used, quality = 0.60: QD1 LEU 55 + HB ILE 5 OK 47 99 - 48 - 4.0/9058=15...(10) QD2 LEU 4 + HB ILE 5 OK 24 100 - 24 - 14/3.9=9, ~10728=4...(8) QD2 LEU 114 - HB ILE 5 lone 5 94 - 5 - ~11023=1 QD1 ILE 116 - HB ILE 5 lone 4 100 - 4 - QG2 ILE 56 - HB ILE 5 lone 2 77 - 2 - 14/3.9=1 QD1 ILE 56 - HB ILE 5 lone 2 65 - 2 - QG2 ILE 97 - HB ILE 5 lone 1 100 - 1 - Peak 10940 from cnoeabs.peaks (1.50, 0.62, 13.41 ppm; 3.63 A): 8 out of 36 assignments used, quality = 0.90: HB2 LEU 6 + QD1 ILE 5 OK 33 99 - 34 - 3.0/11567=11, 11566=7...(8) QB ALA 124 + QD1 ILE 5 OK 32 100 - 32 - 10620=12, 10619/2.1=6...(8) HB3 LEU 14 + QD1 ILE 5 OK 31 98 - 31 - 3.1/11652=10...(8) HG LEU 6 + QD1 ILE 5 OK 26 73 - 35 - 11567=11, 11537/3.2=7...(8) HG2 ARG 30 + QD1 ILE 54 OK 25 72 - 34 - 3.0/9264=9, ~9498=6...(9) HB3 LEU 14 + QD1 ILE 18 OK 21 74 - 29 - 3.1/11652=9, 3.0/11651=8...(7) HB3 ARG 30 + QD1 ILE 54 OK 17 66 - 26 - 3.6/9264=8, ~9260=6...(7) HD3 LYS 17 + QD1 ILE 5 OK 12 84 - 15 - 11480/2.1=4, 11480/3.0=3...(5) HB3 LEU 14 - QD1 ILE 54 poor 10 74 - 13 - 3.1/11652=3, 3.0/11651=3...(5) QB ALA 124 - QD1 ILE 54 lone 7 78 - 9 - 10620=3, 9006/9009=1 HB2 LEU 6 - QD1 ILE 18 lone 6 76 - 7 - 3.0/11567=2, 11566=2, 3.9/21=1 HB2 LEU 6 - QD1 ILE 54 lone 4 76 - 6 - 3.9/21=1 QB ALA 124 - QD1 ILE 18 lone 4 78 - 5 - 10620=1 HG LEU 6 - QD1 ILE 18 lone 3 50 - 6 - 11567=2, 3.0/11566=2, 5.1/21=1 HB3 ARG 30 - QD1 ILE 5 lone 3 92 - 3 - HG2 ARG 30 - QD1 ILE 5 lone 2 97 - 2 - HD3 LYS 17 - QD1 ILE 18 lone 2 59 - 4 - 4.8/9063=1 HG LEU 6 - QD1 ILE 54 lone 2 50 - 4 - HB3 LEU 45 - QD1 ILE 5 lone 2 65 - 3 - HG2 LYS 20 - QD1 ILE 54 lone 2 78 - 2 - HG2 LYS 20 - QD1 ILE 5 lone 1 100 - 1 - HG LEU 38 - QD1 ILE 54 lone 1 47 - 2 - ~11708=1 HB2 LYS 61 - QD1 ILE 5 lone 1 84 - 1 - HD3 LYS 17 - QD1 ILE 54 lone 1 59 - 2 - HG2 ARG 30 - QD1 ILE 18 lone 1 72 - 1 - HG2 LYS 43 - QD1 ILE 5 lone 1 94 - 1 - HB3 LEU 45 - QD1 ILE 54 lone 1 44 - 2 - HG LEU 38 - QD1 ILE 5 lone 1 70 - 1 - HG LEU 38 - QD1 ILE 18 lone 1 47 - 1 - HG2 LYS 43 - QD1 ILE 54 lone 1 69 - 1 - HG2 LYS 20 - QD1 ILE 18 lone 0 78 - 1 - HB2 LYS 61 - QD1 ILE 54 lone 0 59 - 1 - HB3 LEU 45 - QD1 ILE 18 lone 0 44 - 1 - HB3 ARG 30 - QD1 ILE 18 lone 0 66 - 1 - HG2 LYS 43 - QD1 ILE 18 lone 0 69 - 0 - HB2 LYS 61 - QD1 ILE 18 lone 0 59 - 0 - Peak 10941 from cnoeabs.peaks (1.25, 0.84, 17.12 ppm; 4.50 A): 2 out of 12 assignments used, quality = 0.48: HG13 ILE 7 + QG2 ILE 5 OK 40 100 - 40 - ~11580=6, ~11581=6...(12) HG12 ILE 54 + QG2 ILE 5 OK 13 99 - 13 - 2.1/2697=2, ~4389=2...(6) HD3 LYS 53 - QG2 ILE 5 poor 9 81 - 12 - ~11243=3, ~11244=2...(5) HD2 LYS 2 - QG2 ILE 5 lone 8 97 - 8 - ~10739=3, ~11534=2, ~10740=1 HG13 ILE 7 - QG2 ILE 15 lone 7 95 - 8 - 3.8/10745=1, 5.3/10672=1...(4) HG12 ILE 54 - QG2 ILE 15 lone 5 92 - 6 - ~2683=1, 2.1/2697=1 HD3 LYS 53 - QG2 ILE 15 lone 3 72 - 4 - 9469/3.2=1 QG2 THR 108 - QG2 ILE 15 lone 2 91 - 2 - HG3 LYS 61 - QG2 ILE 5 lone 2 100 - 2 - QG2 THR 108 - QG2 ILE 5 lone 2 98 - 2 - HD2 LYS 2 - QG2 ILE 15 lone 1 90 - 2 - HG3 LYS 61 - QG2 ILE 15 lone 1 94 - 1 - Peak 10942 from cnoeabs.peaks (1.45, 0.84, 17.12 ppm; 3.72 A): 8 out of 36 assignments used, quality = 0.90: HB3 LEU 6 + QG2 ILE 5 OK 37 87 - 43 - 3.9/7317=20, ~11537=6...(9) HG12 ILE 7 + QG2 ILE 5 OK 31 84 - 37 - 1.8/10941=11...(10) HB2 LEU 4 + QG2 ILE 5 OK 27 94 - 29 - 10/4.0=6, ~10939=4...(10) HB3 LEU 4 + QG2 ILE 5 OK 27 94 - 29 - 10/4.0=6, ~10939=4...(10) HG LEU 4 + QG2 ILE 5 OK 26 99 - 27 - 7312/4.0=7, ~10939=6...(8) HG12 ILE 57 + QG2 ILE 15 OK 20 72 - 27 - ~9559=9, ~10773=6...(6) HG3 LYS 17 + QG2 ILE 15 OK 18 62 - 29 - 3.0/11480=8, 3.0/11478=6...(9) HG3 LYS 17 + QG2 ILE 5 OK 15 70 - 22 - 3.0/11480=5, 3.0/11476=3...(9) HG12 ILE 7 - QG2 ILE 15 lone 5 75 - 7 - 1.8/10941=2, 2.1/2698=1 HB3 LEU 6 - QG2 ILE 15 lone 5 78 - 7 - 3.9/7317=2 HG LEU 80 - QG2 ILE 5 lone 5 99 - 5 - 1045/4.4=2, 2.1/2698=1 HG3 ARG 30 - QG2 ILE 5 lone 3 98 - 3 - HG12 ILE 57 - QG2 ILE 5 lone 3 81 - 4 - 1045/4.4=1 HG12 ILE 56 - QG2 ILE 5 lone 3 61 - 5 - 4.6/11248=2 HB3 LEU 38 - QG2 ILE 5 lone 2 77 - 3 - 12/4.0=1 HG LEU 4 - QG2 ILE 15 lone 2 92 - 2 - HB2 LEU 4 - QG2 ILE 15 lone 2 86 - 2 - HB3 LEU 4 - QG2 ILE 15 lone 2 86 - 2 - HG3 ARG 30 - QG2 ILE 15 lone 2 91 - 2 - HG3 LYS 49 - QG2 ILE 5 lone 1 87 - 2 - HG2 LYS 49 - QG2 ILE 5 lone 1 87 - 2 - HG2 LYS 106 - QG2 ILE 15 lone 1 72 - 2 - HB3 LEU 38 - QG2 ILE 15 lone 1 69 - 2 - HB3 LYS 61 - QG2 ILE 5 lone 1 81 - 1 - HG LEU 80 - QG2 ILE 15 lone 1 92 - 1 - HG12 ILE 56 - QG2 ILE 15 lone 1 54 - 2 - HG2 LYS 39 - QG2 ILE 5 lone 1 90 - 1 - HG2 LYS 39 - QG2 ILE 15 lone 1 81 - 1 - HG2 LYS 96 - QG2 ILE 5 lone 1 98 - 1 - HG2 LYS 106 - QG2 ILE 5 lone 1 81 - 1 - HB3 LYS 61 - QG2 ILE 15 lone 1 72 - 1 - HG3 LYS 44 - QG2 ILE 5 lone 1 96 - 1 - HG2 LYS 49 - QG2 ILE 15 lone 1 78 - 1 - HG3 LYS 49 - QG2 ILE 15 lone 1 78 - 1 - HG2 LYS 96 - QG2 ILE 15 lone 0 91 - 0 - HG3 LYS 44 - QG2 ILE 15 lone 0 88 - 1 - Peak 10943 from cnoeabs.peaks (2.06, 0.84, 17.12 ppm; 4.61 A): 5 out of 38 assignments used, quality = 0.81: HB3 PHE 79 + QG2 ILE 5 OK 54 61 - 88 - 2.4/4647=17, ~10740=16...(25) HB VAL 117 + QG2 ILE 5 OK 36 94 - 38 - 10506/3.0=10, ~10524=8...(11) HB3 MET 67 + QG2 ILE 5 OK 16 97 - 17 - 9066/4.4=4, 4.3/9724=3...(7) HB2 GLN 28 + QG2 ILE 5 OK 15 98 - 15 - ~11481=4, ~9233=4...(5) HB VAL 117 + QG2 ILE 15 OK 11 86 - 13 - ~11195=2, ~8276=2...(5) HB3 MET 67 - QG2 ILE 15 poor 9 90 - 10 - 9708/3.0=3, 4.3/9724=2...(4) HG3 GLU 52 - QG2 ILE 15 poor 9 78 - 11 - ~11351=4, ~10801=4, 4.0/9178=3 HB3 PHE 79 - QG2 ILE 15 poor 8 54 - 15 - 2.4/9050=3, 9905=2...(7) HG3 GLU 52 - QG2 ILE 5 lone 7 87 - 8 - ~11351=2, ~10801=1, ~11545=1 HB2 GLU 13 - QG2 ILE 15 lone 7 88 - 7 - 4.4/1093=3, 3.0/10984=2 HB2 GLN 28 - QG2 ILE 15 lone 5 91 - 5 - ~11481=1, ~11483=1 HB3 GLN 100 - QG2 ILE 5 lone 4 96 - 5 - HB2 GLU 13 - QG2 ILE 5 lone 4 96 - 4 - HB2 GLU 92 - QG2 ILE 5 lone 3 100 - 3 - HB3 GLU 98 - QG2 ILE 5 lone 2 100 - 2 - HB3 GLU 89 - QG2 ILE 5 lone 2 73 - 3 - HB2 GLU 89 - QG2 ILE 5 lone 2 73 - 3 - HB2 GLU 66 - QG2 ILE 5 lone 2 73 - 3 - HB2 LYS 94 - QG2 ILE 5 lone 2 81 - 2 - HB2 GLU 66 - QG2 ILE 15 lone 2 65 - 3 - HB2 GLU 92 - QG2 ILE 15 lone 2 94 - 2 - HB2 GLU 47 - QG2 ILE 5 lone 2 100 - 2 - HB2 GLU 47 - QG2 ILE 15 lone 2 95 - 2 - HB3 GLU 91 - QG2 ILE 5 lone 2 84 - 2 - HB3 GLU 87 - QG2 ILE 5 lone 1 73 - 2 - HB3 GLN 85 - QG2 ILE 5 lone 1 73 - 2 - HB3 GLN 100 - QG2 ILE 15 lone 1 88 - 1 - HB2 LYS 94 - QG2 ILE 15 lone 1 72 - 2 - HB3 GLU 98 - QG2 ILE 15 lone 1 94 - 1 - HB3 GLU 87 - QG2 ILE 15 lone 1 65 - 1 - HB3 GLU 89 - QG2 ILE 15 lone 1 65 - 1 - HB2 GLU 89 - QG2 ILE 15 lone 1 65 - 1 - HB3 GLU 91 - QG2 ILE 15 lone 1 75 - 1 - HB3 GLU 48 - QG2 ILE 5 lone 1 73 - 1 - HB2 GLU 48 - QG2 ILE 5 lone 1 73 - 1 - HB3 GLN 85 - QG2 ILE 15 lone 1 65 - 1 - HB2 GLU 48 - QG2 ILE 15 lone 1 65 - 1 - HB3 GLU 48 - QG2 ILE 15 lone 1 65 - 1 - Peak 10944 from cnoeabs.peaks (2.37, 1.76, 45.20 ppm; 6.20 A): 2 out of 5 assignments used, quality = 0.93: HB3 TYR 27 + HB2 LEU 55 OK 91 98 - 93 - ~4583=43, 10945/1.8=32...(9) HG2 GLU 13 + HB2 LEU 55 OK 14 99 - 14 - 10945/1.8=5, 11715/3.9=5 HG2 GLU 98 - HB2 LEU 55 lone 8 90 - 9 - 10945/1.8=3...(3) HG3 GLN 100 - HB2 LEU 55 lone 3 77 - 4 - 10945/1.8=1 HG2 GLN 25 - HB2 LEU 55 lone 2 70 - 3 - Peak 10945 from cnoeabs.peaks (2.37, 1.32, 45.20 ppm; 6.20 A): 2 out of 5 assignments used, quality = 0.91: HB3 TYR 27 + HB3 LEU 55 OK 90 98 - 92 - 2.5/4583=47...(10) HG2 GLU 13 + HB3 LEU 55 OK 14 99 - 14 - 10944/1.8=5, 11715/3.9=5 HG2 GLU 98 - HB3 LEU 55 lone 8 90 - 9 - 10944/1.8=3...(3) HG3 GLN 100 - HB3 LEU 55 lone 4 77 - 5 - 10944/1.8=1 HG2 GLN 25 - HB3 LEU 55 lone 2 70 - 3 - Peak 10946 from cnoeabs.peaks (1.87, 0.69, 17.09 ppm; 3.53 A): 3 out of 14 assignments used, quality = 0.67: QE MET 67 + QG2 ILE 56 OK 46 98 - 47 - 9726/2.9=13, 9723/3.2=11...(11) HB2 LEU 63 + QG2 ILE 56 OK 31 100 - 31 - 9547/2.9=6, 10949/3.2=5...(14) QE MET 42 + QG2 ILE 56 OK 12 96 - 13 - 9432/2.9=6, 11532/3.2=3 HB3 LYS 20 - QG2 ILE 56 lone 4 73 - 6 - 3.9/9203=3 HB2 LYS 20 - QG2 ILE 56 lone 4 73 - 6 - 3.9/9203=3 HG LEU 45 - QG2 ILE 56 lone 4 96 - 4 - HB2 ARG 105 - QG2 ILE 56 lone 4 70 - 5 - 9547/2.9=1, 3.0/11512=1 HB2 LYS 16 - QG2 ILE 56 lone 2 98 - 2 - HB3 LYS 16 - QG2 ILE 56 lone 2 97 - 2 - HG2 ARG 95 - QG2 ILE 56 lone 2 100 - 2 - HB ILE 7 - QG2 ILE 56 lone 1 65 - 2 - HB3 ARG 118 - QG2 ILE 56 lone 1 100 - 1 - HG LEU 127 - QG2 ILE 56 lone 1 73 - 1 - HB3 LYS 73 - QG2 ILE 56 lone 0 57 - 1 - Peak 10947 from cnoeabs.peaks (1.52, 0.69, 17.09 ppm; 3.91 A): 6 out of 11 assignments used, quality = 0.86: HB3 ARG 30 + QG2 ILE 56 OK 51 94 - 55 - 4.0/9254=10, 9257/2.9=10...(10) HD2 LYS 94 + QG2 ILE 56 OK 25 81 - 31 - ~9551=8, 10948/2.1=6...(7) HD3 LYS 94 + QG2 ILE 56 OK 25 81 - 31 - ~9551=8, 10948/2.1=6...(7) HB2 LEU 6 + QG2 ILE 56 OK 23 77 - 30 - ~9536=14, ~10950=6...(8) HG LEU 6 + QG2 ILE 56 OK 18 100 - 18 - 10948/2.1=6, 9550/2.9=3...(7) HD3 LYS 17 + QG2 ILE 56 OK 17 98 - 18 - 9550/2.9=5, ~10919=4...(6) HG2 LYS 20 - QG2 ILE 56 lone 5 70 - 8 - 4.9/9203=3, 2.9/10946=1 HB2 LYS 61 - QG2 ILE 56 lone 3 98 - 3 - 4.6/9534=2 HG LEU 38 - QG2 ILE 56 lone 3 100 - 3 - HG2 LYS 43 - QG2 ILE 56 lone 1 92 - 1 - QB ALA 124 - QG2 ILE 56 lone 1 61 - 1 - Peak 10948 from cnoeabs.peaks (1.53, 1.69, 39.82 ppm; 4.39 A): 5 out of 8 assignments used, quality = 0.89: HB3 ARG 30 + HB ILE 56 OK 44 77 - 58 - ~9258=13, 10947/2.1=12...(9) HG LEU 6 + HB ILE 56 OK 41 94 - 43 - 3.6/9536=25, 10947/2.1=4...(10) HD2 LYS 94 + HB ILE 56 OK 37 96 - 39 - 9551/2.9=12, ~9551=11...(7) HD3 LYS 94 + HB ILE 56 OK 37 96 - 39 - 9551/2.9=12, ~9551=11...(7) HD3 LYS 17 + HB ILE 56 OK 18 87 - 20 - 9550/3.2=5, ~10919=4...(6) HG LEU 38 - HB ILE 56 lone 2 96 - 3 - HB2 LYS 61 - HB ILE 56 lone 1 87 - 2 - HG2 LYS 43 - HB ILE 56 lone 1 73 - 2 - Peak 10949 from cnoeabs.peaks (1.87, 0.96, 27.65 ppm; 4.89 A): 3 out of 12 assignments used, quality = 0.93: QE MET 67 + HG13 ILE 56 OK 70 94 - 75 - 9726/2.1=18...(13) HB2 LEU 63 + HG13 ILE 56 OK 66 100 - 66 - 1.8/11261=15...(13) QE MET 42 + HG13 ILE 56 OK 31 99 - 32 - 9432/2.1=11, 3.3/11531=5...(9) HG LEU 45 - HG13 ILE 56 lone 8 90 - 9 - 2.1/11705=2, ~11707=2...(5) HB2 ARG 105 - HG13 ILE 56 lone 6 81 - 8 - 9547/2.1=3, 11015/3.2=1...(4) HG2 ARG 95 - HG13 ILE 56 lone 5 99 - 5 - 3.0/11026=1 HB3 LYS 20 - HG13 ILE 56 lone 4 61 - 6 - 10946/3.2=2, ~10946=1 HB2 LYS 20 - HG13 ILE 56 lone 4 61 - 6 - 10946/3.2=2, ~10946=1 HB2 LYS 16 - HG13 ILE 56 lone 4 94 - 4 - HB3 LYS 16 - HG13 ILE 56 lone 4 92 - 4 - HB3 ARG 118 - HG13 ILE 56 lone 2 100 - 2 - HG LEU 127 - HG13 ILE 56 lone 1 84 - 1 - Peak 10950 from cnoeabs.peaks (1.68, 5.35, 53.00 ppm; 4.99 A): 2 out of 18 assignments used, quality = 0.68: HB ILE 56 + HA LEU 6 OK 62 87 - 71 - 9536=41, 4.0/9072=31...(6) HB ILE 54 + HA LEU 6 OK 15 99 - 15 - 1364/9072=4, 11344/3.6=3...(5) HD3 LYS 20 - HA LEU 6 lone 7 92 - 7 - 11344/3.6=2, 3.4/10951=1 HD2 LYS 20 - HA LEU 6 lone 6 90 - 7 - 11344/3.6=2, 3.4/10951=1 HD2 LYS 17 - HA LEU 6 lone 6 99 - 6 - 11344/3.6=2 HD2 LYS 43 - HA LEU 6 lone 6 100 - 6 - 11344/3.6=1, 3.8/10951=1 HD3 LYS 43 - HA LEU 6 lone 5 97 - 5 - 11344/3.6=1, 3.8/10951=1 HD3 LYS 73 - HA LEU 6 lone 4 97 - 4 - HD2 LYS 73 - HA LEU 6 lone 4 96 - 4 - HD2 LYS 96 - HA LEU 6 lone 3 99 - 3 - HD3 LYS 96 - HA LEU 6 lone 3 98 - 3 - HG3 ARG 95 - HA LEU 6 lone 2 100 - 2 - HG12 ILE 71 - HA LEU 6 lone 2 70 - 3 - HD2 LYS 16 - HA LEU 6 lone 2 94 - 2 - HD3 LYS 16 - HA LEU 6 lone 2 87 - 2 - HD3 LYS 40 - HA LEU 6 lone 2 99 - 2 - HD2 LYS 40 - HA LEU 6 lone 2 99 - 2 - HD3 LYS 115 - HA LEU 6 lone 1 70 - 1 - Peak 10951 from cnoeabs.peaks (1.90, 5.35, 53.00 ppm; 5.50 A): 2 out of 21 assignments used, quality = 0.73: HB ILE 7 + HA LEU 6 OK 69 99 - 70 - 3.9/23=46, 3.2/11340=12...(9) QE MET 67 + HA LEU 6 OK 11 73 - 14 - 9725/3.9=6, ~9716=5, 1051/3.6=2 HB ILE 15 - HA LEU 6 poor 9 61 - 14 - ~7317=3, 3.2/11340=2...(6) HB2 LYS 20 - HA LEU 6 lone 8 98 - 8 - 3.4/10950=2, 3.4/10950=2 HB3 LYS 20 - HA LEU 6 lone 8 98 - 8 - 3.4/10950=2, 3.4/10950=2 HB3 LYS 43 - HA LEU 6 lone 6 99 - 6 - 3.8/10950=1, 3.8/10950=1 HB2 LYS 43 - HA LEU 6 lone 5 90 - 6 - 3.8/10950=1, 3.8/10950=1 HB2 LEU 45 - HA LEU 6 lone 5 96 - 5 - HB2 LYS 96 - HA LEU 6 lone 5 99 - 5 - HG LEU 45 - HA LEU 6 lone 5 81 - 6 - HB ILE 71 - HA LEU 6 lone 4 100 - 4 - HB2 LYS 73 - HA LEU 6 lone 4 100 - 4 - HB3 LYS 73 - HA LEU 6 lone 4 100 - 4 - HB2 LYS 49 - HA LEU 6 lone 3 100 - 3 - HB2 ARG 95 - HA LEU 6 lone 3 100 - 3 - HB3 LYS 16 - HA LEU 6 lone 2 77 - 3 - HB2 LYS 16 - HA LEU 6 lone 2 73 - 3 - HB2 GLU 128 - HA LEU 6 lone 2 99 - 2 - HB3 LYS 44 - HA LEU 6 lone 2 92 - 2 - HB2 LYS 44 - HA LEU 6 lone 1 77 - 2 - HB3 LYS 123 - HA LEU 6 lone 1 65 - 1 - Peak 10953 from cnoeabs.peaks (0.77, 1.51, 44.53 ppm; 3.73 A): 4 out of 10 assignments used, quality = 0.81: QD1 LEU 80 + HB2 LEU 6 OK 43 98 - 44 - 9940/3.9=12...(8) QD1 ILE 7 + HB2 LEU 6 OK 40 100 - 40 - 10954/1.8=10, 1055/4.6=9...(12) QD2 LEU 80 + HB2 LEU 6 OK 35 97 - 36 - 3.9/10670=12...(7) QD2 LEU 64 + HB2 LEU 6 OK 13 81 - 17 - 10954/1.8=3, ~11537=3...(8) QG2 VAL 32 - HB2 LEU 6 lone 9 98 - 9 - 10954/1.8=3, 1055/4.6=2 QD1 ILE 15 - HB2 LEU 6 lone 6 99 - 6 - 10954/1.8=1, 11340/3.0=1 QD1 LEU 82 - HB2 LEU 6 lone 5 94 - 5 - ~11395=1, 10954/1.8=1 QD2 LEU 14 - HB2 LEU 6 lone 2 98 - 2 - QD1 LEU 45 - HB2 LEU 6 lone 2 77 - 3 - QG1 VAL 107 - HB2 LEU 6 lone 2 98 - 2 - Peak 10954 from cnoeabs.peaks (0.77, 1.46, 44.53 ppm; 3.51 A): 3 out of 10 assignments used, quality = 0.74: QD1 LEU 80 + HB3 LEU 6 OK 40 94 - 42 - 3.9/10671=12...(10) QD1 ILE 7 + HB3 LEU 6 OK 36 100 - 36 - 10953/1.8=8, 1055/4.6=8...(12) QD2 LEU 80 + HB3 LEU 6 OK 32 92 - 35 - 3.9/10671=12...(9) QD2 LEU 64 - HB3 LEU 6 poor 10 70 - 14 - 10953/1.8=3, ~11537=2...(7) QG2 VAL 32 - HB3 LEU 6 lone 9 100 - 9 - 10953/1.8=2, 1055/4.6=2...(5) QD1 ILE 15 - HB3 LEU 6 lone 5 100 - 5 - 10953/1.8=1, 11340/3.0=1 QD1 LEU 82 - HB3 LEU 6 lone 4 87 - 4 - 2.1/11395=1, 10953/1.8=1 QG1 VAL 107 - HB3 LEU 6 lone 2 100 - 2 - QD1 LEU 45 - HB3 LEU 6 lone 2 87 - 2 - QD2 LEU 14 - HB3 LEU 6 lone 2 100 - 2 - Peak 10957 from cnoeabs.peaks (8.20, 0.71, 22.93 ppm; 5.31 A): 1 out of 3 assignments used, quality = 0.78: H LEU 38 + QD2 LEU 63 OK 78 97 - 81 - 4.4/10987=21...(14) H ASP 84 - QD2 LEU 63 lone 7 94 - 7 - 10020/10988=1 H GLU 111 - QD2 LEU 63 lone 2 70 - 3 - Peak 10958 from cnoeabs.peaks (7.82, 0.71, 22.93 ppm; 4.69 A): 4 out of 4 assignments used, quality = 0.82: H LYS 39 + QD2 LEU 63 OK 66 97 - 68 - 4.5/10957=19...(9) H GLU 66 + QD2 LEU 63 OK 27 61 - 44 - 2084/4.8=13, 8110/4.0=10...(11) H VAL 78 + QD2 LEU 63 OK 15 96 - 15 - 10960/3.1=4, 10959/2.1=3...(5) H ILE 97 + QD2 LEU 63 OK 14 94 - 15 - 10960/3.1=3, 10959/2.1=3...(7) Peak 10959 from cnoeabs.peaks (7.83, 0.74, 25.21 ppm; 5.64 A): 4 out of 15 assignments used, quality = 0.80: H LYS 39 + QD1 LEU 63 OK 61 100 - 61 - 10958/2.1=24...(9) H LYS 39 + QD2 LEU 6 OK 22 84 - 26 - 4.5/10986=8, 3.6/10743=4...(9) H VAL 78 + QD1 LEU 63 OK 21 100 - 20 - 10960/3.1=6, 10958/2.1=6...(5) H ILE 97 + QD1 LEU 63 OK 17 100 - 17 - 10960/3.1=5, 10958/2.1=5...(5) HE21 GLN 62 - QD1 LEU 63 poor 9 65 - 14 - 6.6/9665=8, 3.5/11407=3 H VAL 78 - QD2 LEU 6 poor 8 84 - 10 - ~10689=3, 4.6/493=3, 1517/2.1=2 H ILE 97 - QD2 LEU 6 lone 4 83 - 5 - 1883/10986=1 H LYS 39 - QD1 LEU 45 lone 3 36 - 8 - 3.6/9375=2, 4.5/10986=2 H TYR 27 - QD1 LEU 63 lone 2 73 - 3 - HE21 GLN 62 - QD2 LEU 6 lone 2 48 - 3 - 6.6/9665=1 H TYR 27 - QD2 LEU 6 lone 1 55 - 3 - H ILE 97 - QD1 LEU 45 lone 1 35 - 3 - H VAL 78 - QD1 LEU 45 lone 1 36 - 2 - HE21 GLN 62 - QD1 LEU 45 lone 1 18 - 3 - H TYR 27 - QD1 LEU 45 lone 0 21 - 2 - Peak 10960 from cnoeabs.peaks (7.83, 1.87, 40.89 ppm; 6.11 A): 3 out of 4 assignments used, quality = 0.78: H LYS 39 + HB2 LEU 63 OK 66 100 - 67 - 10958/3.1=24...(9) H VAL 78 + HB2 LEU 63 OK 20 99 - 19 - 10958/3.1=6, 10959/3.1=5...(4) H ILE 97 + HB2 LEU 63 OK 18 99 - 18 - 10958/3.1=5, 10959/3.1=4...(7) H TYR 27 - HB2 LEU 63 lone 2 61 - 3 - Peak 10961 from cnoeabs.peaks (0.72, 3.91, 57.78 ppm; 4.29 A): 6 out of 22 assignments used, quality = 0.93: QD2 LEU 63 + HA LEU 64 OK 65 94 - 69 - 9680=13, ~390=12...(16) QG1 VAL 117 + HA LEU 64 OK 43 100 - 44 - 10965/3.0=7, ~10520=7...(10) QD1 LEU 6 + HA LEU 64 OK 41 100 - 42 - 10964/3.0=6, 10965/3.0=6...(18) QD2 LEU 81 + HA LEU 64 OK 22 87 - 26 - 2.1/4757=7, 10965/3.0=4...(9) QD2 LEU 6 + HA LEU 64 OK 20 70 - 29 - ~10964=4, 10743=4...(10) QD2 LEU 45 + HA LEU 64 OK 11 97 - 11 - 7524/2.9=2, ~7523=1...(4) QG2 ILE 18 - HA LEU 64 lone 6 100 - 6 - 10964/3.0=1, 10965/3.0=1 QD1 LEU 6 - HA GLU 128 lone 6 88 - 7 - 11564/8121=1 QD2 LEU 63 - HA GLU 128 lone 5 79 - 6 - 9680=1 HG13 ILE 18 - HA LEU 64 lone 5 90 - 5 - QG2 VAL 78 - HA LEU 64 lone 5 97 - 5 - QD1 ILE 57 - HA LEU 64 lone 3 90 - 3 - QD2 LEU 45 - HA GLU 128 lone 2 83 - 3 - QD2 LEU 6 - HA GLU 128 lone 2 56 - 3 - QG2 VAL 78 - HA GLU 128 lone 1 83 - 2 - QD2 LEU 81 - HA GLU 128 lone 1 72 - 2 - QG1 VAL 117 - HA GLU 128 lone 1 88 - 1 - QD2 LEU 55 - HA LEU 64 lone 1 65 - 2 - QG2 ILE 18 - HA GLU 128 lone 1 89 - 1 - QD1 ILE 57 - HA GLU 128 lone 1 74 - 1 - HG13 ILE 18 - HA GLU 128 lone 1 74 - 1 - QD2 LEU 55 - HA GLU 128 lone 0 52 - 1 - Peak 10962 from cnoeabs.peaks (2.40, 3.91, 57.78 ppm; 5.78 A): 4 out of 18 assignments used, quality = 0.91: HG3 MET 67 + HA LEU 64 OK 67 100 - 68 - 3.0/8121=19, 3.3/9729=18...(11) HG2 GLU 66 + HA LEU 64 OK 51 99 - 51 - 4.9/8116=17, 5.0/8117=15...(9) HG3 MET 67 + HA GLU 128 OK 30 89 - 33 - 3.0/8121=9, 3.0/8118=8...(5) HG2 GLU 66 + HA GLU 128 OK 17 87 - 19 - 5.0/8117=7, 4.9/8116=5...(5) HG3 GLN 85 - HA LEU 64 lone 6 92 - 6 - HG2 GLN 85 - HA LEU 64 lone 5 87 - 6 - HG2 GLN 122 - HA LEU 64 lone 4 90 - 5 - HG3 GLN 62 - HA LEU 64 lone 2 70 - 3 - 7051/3.6=1 HG3 GLN 85 - HA GLU 128 lone 2 77 - 3 - HG2 GLN 62 - HA LEU 64 lone 2 65 - 3 - 7051/3.6=1 HG2 GLN 85 - HA GLU 128 lone 2 72 - 3 - HG2 GLU 98 - HA LEU 64 lone 2 65 - 3 - HG2 GLN 122 - HA GLU 128 lone 2 74 - 3 - HG2 GLN 25 - HA LEU 64 lone 2 87 - 2 - HG2 GLN 25 - HA GLU 128 lone 2 72 - 2 - HG2 GLU 98 - HA GLU 128 lone 1 52 - 2 - HG3 GLN 62 - HA GLU 128 lone 1 56 - 2 - HG2 GLN 62 - HA GLU 128 lone 1 52 - 2 - Peak 10963 from cnoeabs.peaks (1.44, 3.91, 57.78 ppm; 5.70 A): 4 out of 38 assignments used, quality = 0.90: HB3 LYS 61 + HA LEU 64 OK 62 90 - 70 - ~8097=23, ~8096=19...(7) HB3 LEU 63 + HA LEU 64 OK 54 70 - 78 - ~386=21, 387/2.9=18...(14) HB3 LEU 6 + HA LEU 64 OK 28 77 - 36 - 3.1/10961=8, 3.1/10743=6...(9) HB3 LEU 38 + HA LEU 64 OK 16 65 - 24 - ~11001=11, 3.1/11025=6...(5) HG12 ILE 56 - HA LEU 64 poor 9 73 - 13 - 1.8/11025=3, 387/2.9=3...(4) HG LEU 80 - HA LEU 64 lone 9 100 - 9 - 2.1/4757=3, ~1421=2, 2.1/4757=2 HG12 ILE 7 - HA LEU 64 poor 8 73 - 10 - ~9075=2, 9303/9289=1...(5) HG2 LYS 96 - HA GLU 128 lone 5 88 - 6 - 5.1/8116=2, ~1837=1, ~1838=1 HB3 LEU 63 - HA GLU 128 lone 5 56 - 9 - ~2264=2, ~808=2, ~807=1 HB3 LEU 38 - HA GLU 128 lone 5 52 - 9 - 3.1/11025=3, ~11026=2 HG2 LYS 96 - HA LEU 64 lone 4 100 - 4 - 5.1/8116=1 HG12 ILE 56 - HA GLU 128 lone 4 59 - 6 - 1.8/11025=2, ~11026=1 HG2 LYS 39 - HA LEU 64 lone 4 81 - 4 - HG LEU 80 - HA GLU 128 lone 3 89 - 4 - HB3 LEU 4 - HA LEU 64 lone 3 98 - 3 - HB2 LEU 4 - HA LEU 64 lone 3 98 - 3 - HG12 ILE 57 - HA LEU 64 lone 3 70 - 5 - HG LEU 4 - HA LEU 64 lone 3 96 - 3 - HG3 ARG 30 - HA LEU 64 lone 3 94 - 3 - HG3 LYS 44 - HA LEU 64 lone 2 99 - 2 - HB3 LEU 6 - HA GLU 128 lone 2 63 - 4 - 3.1/10961=1 HG3 LYS 44 - HA GLU 128 lone 2 86 - 2 - HG3 LYS 17 - HA LEU 64 lone 2 81 - 2 - HG2 LYS 106 - HA LEU 64 lone 2 70 - 3 - HB2 LEU 4 - HA GLU 128 lone 2 85 - 2 - HB3 LEU 4 - HA GLU 128 lone 2 85 - 2 - HG2 LYS 39 - HA GLU 128 lone 2 66 - 2 - HG LEU 4 - HA GLU 128 lone 2 81 - 2 - HG3 ARG 30 - HA GLU 128 lone 1 79 - 2 - HG3 LYS 49 - HA LEU 64 lone 1 77 - 2 - HG2 LYS 49 - HA LEU 64 lone 1 77 - 2 - HG12 ILE 7 - HA GLU 128 lone 1 59 - 2 - HB3 LYS 61 - HA GLU 128 lone 1 74 - 2 - HG2 LYS 49 - HA GLU 128 lone 1 63 - 2 - HG3 LYS 49 - HA GLU 128 lone 1 63 - 2 - HG3 LYS 17 - HA GLU 128 lone 1 66 - 2 - HG12 ILE 57 - HA GLU 128 lone 1 56 - 2 - HG2 LYS 106 - HA GLU 128 lone 1 56 - 2 - Peak 10964 from cnoeabs.peaks (0.72, 1.79, 41.35 ppm; 4.41 A): 5 out of 11 assignments used, quality = 0.90: QG1 VAL 117 + HB2 LEU 64 OK 47 100 - 47 - 2.1/10520=12...(10) QD1 LEU 6 + HB2 LEU 64 OK 46 100 - 46 - 10965/1.8=8...(18) QD2 LEU 63 + HB2 LEU 64 OK 44 94 - 46 - 4.8/1417=17, 9680/3.0=11...(10) QD2 LEU 6 + HB2 LEU 64 OK 22 70 - 32 - ~10965=5, 10965/1.8=4...(13) QD2 LEU 81 + HB2 LEU 64 OK 22 87 - 25 - 10965/1.8=5, ~11637=4...(8) QD2 LEU 45 - HB2 LEU 64 lone 9 97 - 10 - 9448/9689=3, 7524/3.6=2...(4) QG2 ILE 18 - HB2 LEU 64 lone 9 100 - 9 - 10965/1.8=1, 3.7/1131=1 HG13 ILE 18 - HB2 LEU 64 lone 7 90 - 8 - 10965/1.8=1, ~11711=1 QG2 VAL 78 - HB2 LEU 64 lone 7 97 - 7 - 9859/11052=2 QD1 ILE 57 - HB2 LEU 64 lone 4 90 - 4 - QD2 LEU 55 - HB2 LEU 64 lone 1 65 - 2 - Peak 10965 from cnoeabs.peaks (0.72, 1.63, 41.35 ppm; 4.37 A): 5 out of 11 assignments used, quality = 0.90: QG1 VAL 117 + HB3 LEU 64 OK 51 100 - 51 - 2.1/10521=10, ~10520=9...(14) QD2 LEU 63 + HB3 LEU 64 OK 42 94 - 45 - 4.8/1418=11, 9680/3.0=11...(11) QD1 LEU 6 + HB3 LEU 64 OK 41 100 - 42 - 10964/1.8=8, 10961/3.0=5...(16) QD2 LEU 81 + HB3 LEU 64 OK 27 87 - 31 - 2.1/11637=6, 11636=5...(11) QD2 LEU 6 + HB3 LEU 64 OK 21 70 - 30 - ~10964=5, 10964/1.8=4...(12) QG2 ILE 18 - HB3 LEU 64 lone 8 100 - 8 - 10964/1.8=2 QD2 LEU 45 - HB3 LEU 64 lone 7 97 - 7 - 7524/3.6=2, 10964/1.8=2 HG13 ILE 18 - HB3 LEU 64 lone 7 90 - 7 - 10964/1.8=1, ~11711=1 QG2 VAL 78 - HB3 LEU 64 lone 4 97 - 4 - 10964/1.8=1 QD1 ILE 57 - HB3 LEU 64 lone 4 90 - 4 - QD2 LEU 55 - HB3 LEU 64 lone 1 65 - 2 - Peak 10967 from cnoeabs.peaks (0.79, 0.38, 23.07 ppm; 3.31 A): 4 out of 7 assignments used, quality = 0.95: QD2 LEU 64 + QD2 LEU 68 OK 70 99 - 71 - 2.1/11269=24, 11270=17...(18) QD2 LEU 80 + QD2 LEU 68 OK 49 87 - 56 - 9922/2.1=22, ~9925=14...(9) QD1 LEU 81 + QD2 LEU 68 OK 47 100 - 47 - 11608=36, ~9766=4...(5) QD1 LEU 80 + QD2 LEU 68 OK 44 84 - 52 - 9925/2.1=18, ~9922=16...(9) QD1 LEU 82 - QD2 LEU 68 OK 14 92 - 15 - 11397=4, 9765/2.1=2...(7) QD1 LEU 114 - QD2 LEU 68 lone 1 70 - 2 - QG1 VAL 29 - QD2 LEU 68 lone 1 87 - 1 - Peak 10968 from cnoeabs.peaks (6.74, 4.12, 62.78 ppm; 6.20 A): 0 out of 6 assignments used, low quality = 0.00: HD22 ASN 59 - HA VAL 22 lone 4 57 - 6 - ~9620=2, 9619/3.2=2 HE22 GLN 100 - HB2 SER 72 lone 2 77 - 3 - HE22 GLN 100 - HB3 SER 72 lone 2 77 - 3 - HE22 GLN 100 - HA VAL 22 lone 2 57 - 3 - HD22 ASN 59 - HB2 SER 72 lone 1 77 - 2 - HD22 ASN 59 - HB3 SER 72 lone 1 77 - 2 - Peak 10969 from cnoeabs.peaks (1.95, 1.29, 45.67 ppm; 4.93 A): 1 out of 16 assignments used, quality = 0.98: HB VAL 104 + HB3 LEU 80 OK 98 100 - 98 - 3.0/9929=35, 10225=31...(21) HB3 LYS 115 - HB3 LEU 80 OK 13 81 - 16 - ~10452=3, 4.4/730=3...(6) HB VAL 29 - HB3 LEU 80 OK 12 99 - 12 - 2.1/11088=3, ~11383=2...(6) HB3 LYS 39 - HB3 LEU 80 OK 11 100 - 11 - ~11039=3, 9918/1.8=2...(4) HB2 LYS 65 - HB3 LEU 80 poor 9 81 - 12 - ~10805=2, 9918/1.8=2...(5) HB3 LYS 65 - HB3 LEU 80 poor 9 77 - 12 - ~10805=2, 9918/1.8=2...(5) HB2 LYS 39 - HB3 LEU 80 poor 9 81 - 11 - ~11039=3, 9918/1.8=2, ~9918=1 HB3 MET 42 - HB3 LEU 80 lone 5 100 - 5 - ~11694=2 HB2 LYS 123 - HB3 LEU 80 lone 3 81 - 4 - HB3 GLU 128 - HB3 LEU 80 lone 2 98 - 2 - HB2 LEU 70 - HB3 LEU 80 lone 2 98 - 2 - HB2 GLU 41 - HB3 LEU 80 lone 2 100 - 2 - HB3 GLU 41 - HB3 LEU 80 lone 2 100 - 2 - HB3 LYS 40 - HB3 LEU 80 lone 2 100 - 2 - HB2 LEU 127 - HB3 LEU 80 lone 2 77 - 2 - HB3 GLU 52 - HB3 LEU 80 lone 1 99 - 1 - Peak 10970 from cnoeabs.peaks (1.74, 5.27, 53.06 ppm; 5.38 A): 3 out of 12 assignments used, quality = 0.97: HB2 LEU 80 + HA LEU 81 OK 80 92 - 87 - ~506=33, ~504=30...(16) HG3 ARG 105 + HA LEU 81 OK 66 94 - 70 - 4.9/10685=34...(8) HB3 LEU 82 + HA LEU 81 OK 59 97 - 61 - 4.0/7716=40...(9) HB3 LYS 94 - HA LEU 81 OK 10 96 - 11 - 1544/3.6=3, 10980/3.9=2, ~5929=2 HD3 LYS 123 - HA LEU 81 lone 5 99 - 5 - HB2 LEU 68 - HA LEU 81 lone 4 99 - 4 - ~9764=3 HG2 LYS 17 - HA LEU 81 lone 3 87 - 4 - ~1536=2 HB3 LYS 49 - HA LEU 81 lone 3 87 - 3 - HB2 LEU 55 - HA LEU 81 lone 3 65 - 4 - 1697/10685=1 HB2 LEU 114 - HA LEU 81 lone 2 96 - 2 - HG12 ILE 15 - HA LEU 81 lone 2 70 - 3 - HG2 ARG 118 - HA LEU 81 lone 1 81 - 1 - Peak 10971 from cnoeabs.peaks (1.83, 5.27, 53.06 ppm; 5.17 A): 2 out of 11 assignments used, quality = 0.81: HB3 ARG 105 + HA LEU 81 OK 66 92 - 72 - 4.1/10685=38...(8) HB ILE 57 + HA LEU 81 OK 43 100 - 43 - 11633/3.9=15...(8) HB3 LYS 19 - HA LEU 81 lone 8 96 - 9 - 11633/3.9=2, 11634/3.9=2 QE MET 121 - HA LEU 81 lone 8 99 - 8 - 10601/3.9=4, 11633/3.9=3 HB3 LYS 77 - HA LEU 81 lone 7 77 - 9 - 11633/3.9=3, 11634/3.9=2...(4) HB ILE 18 - HA LEU 81 lone 6 99 - 6 - 11633/3.9=2, 11634/3.9=2 HB2 LYS 77 - HA LEU 81 lone 6 70 - 8 - 11633/3.9=2, 11634/3.9=2...(4) HB2 LEU 14 - HA LEU 81 lone 5 100 - 5 - HD2 LYS 123 - HA LEU 81 lone 4 70 - 5 - HB ILE 97 - HA LEU 81 lone 3 65 - 4 - 1695/10685=2 HG12 ILE 5 - HA LEU 81 lone 2 61 - 4 - 4728/4739=2 Peak 10972 from cnoeabs.peaks (1.61, 5.27, 53.06 ppm; 5.78 A): 2 out of 12 assignments used, quality = 0.75: HB2 LEU 82 + HA LEU 81 OK 52 87 - 60 - 4.0/7716=43...(9) HG LEU 82 + HA LEU 81 OK 48 90 - 53 - 5.0/7716=37...(6) HD3 LYS 77 - HA LEU 81 lone 6 81 - 8 - 3.6/10971=2, 3.6/10971=1 HG LEU 63 - HA LEU 81 lone 6 90 - 7 - 11185/10305=1, 11186/10310=1 HD2 LYS 77 - HA LEU 81 lone 6 77 - 8 - 3.6/10971=2, 3.6/10971=1 HB3 LEU 127 - HA LEU 81 lone 4 99 - 4 - ~11471=1, ~11472=1 HG3 LYS 19 - HA LEU 81 lone 4 84 - 5 - 3.0/10971=2 HD2 LYS 19 - HA LEU 81 lone 4 77 - 5 - 3.6/10971=2 HD3 LYS 19 - HA LEU 81 lone 4 77 - 5 - 3.6/10971=2 HG3 LYS 40 - HA LEU 81 lone 2 90 - 2 - HG2 LYS 73 - HA LEU 81 lone 2 87 - 2 - HG2 LYS 16 - HA LEU 81 lone 2 65 - 2 - Peak 10973 from cnoeabs.peaks (0.90, 1.60, 26.76 ppm; 3.31 A): 0 out of 7 assignments used, low quality = 0.22: QD1 LEU 90 - HG LEU 82 OK 22 100 - 22 - 2.1/5574=5, ~9967=5...(7) QG2 VAL 104 - HG LEU 82 poor 9 61 - 15 - 9965/3.0=3, 9968/5.0=3...(7) QD2 LEU 38 - HG LEU 82 lone 2 81 - 2 - QG2 VAL 29 - HG LEU 82 lone 1 97 - 1 - QD2 LEU 70 - HG LEU 82 lone 1 100 - 1 - QD1 LEU 70 - HG LEU 82 lone 1 100 - 1 - HG13 ILE 54 - HG LEU 82 lone 0 96 - 0 - Peak 10974 from cnoeabs.peaks (1.25, 2.29, 36.01 ppm; 4.37 A): 2 out of 20 assignments used, quality = 0.72: QG2 THR 108 + HG2 GLU 87 OK 47 100 - 47 - 10326=19, 10326/1.8=16...(4) QG2 THR 108 + HG3 GLU 87 OK 47 100 - 47 - 10326=19, 10326/1.8=16...(4) HG13 ILE 7 - HG2 GLU 87 lone 8 99 - 8 - 11410/4.0=3, 11409/3.0=2 HG13 ILE 7 - HG3 GLU 87 lone 8 99 - 8 - 11410/4.0=3, 11409/3.0=2 QG2 THR 108 - HG2 GLU 111 lone 6 90 - 7 - 10336/5.2=3, 10326=3 HG12 ILE 54 - HG3 GLU 87 lone 4 100 - 4 - 11410/4.0=2, 11409/3.0=1 HG12 ILE 54 - HG2 GLU 87 lone 4 100 - 4 - 11410/4.0=2, 11409/3.0=1 HG3 LYS 61 - HG2 GLU 87 lone 2 94 - 2 - HG3 LYS 61 - HG3 GLU 87 lone 2 94 - 2 - HD2 LYS 2 - HG3 GLU 87 lone 2 84 - 2 - HD2 LYS 2 - HG2 GLU 87 lone 2 84 - 2 - QG2 THR 108 - HG2 GLU 47 lone 2 68 - 3 - 10326=1 HG13 ILE 7 - HG2 GLU 111 lone 1 87 - 1 - HG12 ILE 54 - HG2 GLU 111 lone 1 90 - 1 - HG13 ILE 7 - HG2 GLU 47 lone 1 65 - 1 - HG3 LYS 61 - HG2 GLU 111 lone 1 81 - 1 - HD2 LYS 2 - HG2 GLU 111 lone 1 70 - 1 - HG12 ILE 54 - HG2 GLU 47 lone 1 68 - 1 - HG3 LYS 61 - HG2 GLU 47 lone 0 59 - 1 - HD2 LYS 2 - HG2 GLU 47 lone 0 50 - 1 - Peak 10975 from cnoeabs.peaks (1.81, 0.86, 19.21 ppm; 4.92 A): 3 out of 11 assignments used, quality = 0.69: HB2 LEU 14 + QG2 THR 9 OK 48 73 - 65 - 3.0/10756=26...(10) HB ILE 18 + QG2 THR 9 OK 28 81 - 35 - 3.2/9118=8, 2.9/9117=7...(10) HG12 ILE 5 + QG2 THR 9 OK 17 100 - 17 - 2.1/9118=6, ~10741=3...(4) HB ILE 57 - QG2 THR 9 lone 6 73 - 9 - 9577/4.0=2, 70/9125=1...(5) HB2 ARG 118 - QG2 THR 9 lone 6 96 - 6 - 3.0/10542=2, 3.0/9116=2 HB ILE 3 - QG2 THR 9 lone 5 100 - 5 - 9142/9126=2 HB2 LYS 19 - QG2 THR 9 lone 3 61 - 5 - 3.0/9198=2, 4.0/10781=1 HB3 ARG 105 - QG2 THR 9 lone 2 94 - 3 - HB ILE 97 - QG2 THR 9 lone 2 100 - 2 - HG2 ARG 105 - QG2 THR 9 lone 2 100 - 2 - HB2 LEU 64 - QG2 THR 9 lone 2 65 - 3 - Peak 10976 from cnoeabs.peaks (8.19, 0.88, 24.74 ppm; 4.40 A): 2 out of 3 assignments used, quality = 0.69: H ASP 84 + QD2 LEU 90 OK 62 87 - 71 - 4.1/11571=25...(8) H LEU 38 + QD2 LEU 90 OK 20 92 - 21 - 1237=5, 1237/2.1=4...(6) H GLU 111 - QD2 LEU 90 lone 4 57 - 6 - 4.5/10399=1 Peak 10977 from cnoeabs.peaks (0.90, 2.07, 32.47 ppm; 4.81 A): 7 out of 8 assignments used, quality = 0.93: QG2 VAL 104 + HB2 LYS 94 OK 47 73 - 64 - ~10236=25, 2.1/11454=13...(15) QD1 LEU 90 + HB2 LYS 94 OK 40 100 - 40 - 10101/3.0=11...(11) QD1 LEU 70 + HB2 LYS 94 OK 39 98 - 40 - 10101/3.0=11, 7657/3.9=8...(9) QD2 LEU 70 + HB2 LYS 94 OK 38 100 - 38 - 10101/3.0=11, ~10101=7...(9) QD2 LEU 90 + HB2 LYS 94 OK 20 65 - 31 - ~10101=7, 10979/1.8=5...(9) QG2 VAL 29 + HB2 LYS 94 OK 13 99 - 13 - 10101/3.0=3, 10979/1.8=2...(5) QD2 LEU 38 + HB2 LYS 94 OK 10 90 - 11 - 10101/3.0=3, 10979/1.8=2 HG13 ILE 54 - HB2 LYS 94 lone 5 90 - 5 - 10101/3.0=1 Peak 10978 from cnoeabs.peaks (0.78, 2.07, 32.47 ppm; 4.83 A): 4 out of 10 assignments used, quality = 0.89: QD1 LEU 82 + HB2 LYS 94 OK 70 100 - 70 - 11491/3.0=36...(5) QD1 LEU 80 + HB2 LYS 94 OK 34 100 - 35 - 10980/1.8=9, 5502/3.9=8...(7) QD2 LEU 80 + HB2 LYS 94 OK 34 100 - 34 - 10980/1.8=9, 10102/3.0=8...(7) QD2 LEU 64 + HB2 LYS 94 OK 14 99 - 14 - 10102/3.0=4, 10100/3.9=3...(5) QD1 LEU 81 - HB2 LYS 94 poor 10 90 - 11 - 10100/3.9=3, 10980/1.8=3...(4) QG1 VAL 107 - HB2 LYS 94 lone 7 77 - 9 - 7859/3.9=3, 10980/1.8=2...(4) QD2 LEU 14 - HB2 LYS 94 lone 7 77 - 8 - 10980/1.8=2, 10102/3.0=1 QD1 ILE 7 - HB2 LYS 94 lone 4 90 - 4 - QD1 ILE 15 - HB2 LYS 94 lone 2 81 - 2 - QG2 VAL 32 - HB2 LYS 94 lone 1 77 - 2 - Peak 10979 from cnoeabs.peaks (0.89, 1.74, 32.47 ppm; 4.67 A): 7 out of 8 assignments used, quality = 0.92: QG2 VAL 104 + HB3 LYS 94 OK 59 94 - 63 - ~10236=24, ~11454=10...(14) QD1 LEU 90 + HB3 LYS 94 OK 33 92 - 37 - 10101/3.0=8, 10977/1.8=7...(12) QD2 LEU 70 + HB3 LYS 94 OK 32 92 - 35 - 10101/3.0=8, ~10101=7...(10) QD1 LEU 70 + HB3 LYS 94 OK 30 84 - 36 - 10101/3.0=8, ~10101=7...(10) QD2 LEU 90 + HB3 LYS 94 OK 26 90 - 30 - ~10101=7, ~10977=5...(9) QG2 VAL 29 + HB3 LYS 94 OK 11 100 - 11 - 10977/1.8=2, 10101/3.0=2...(4) QD2 LEU 38 + HB3 LYS 94 OK 10 99 - 10 - 10101/3.0=2, 10977/1.8=2 HG13 ILE 54 - HB3 LYS 94 lone 3 65 - 5 - Peak 10980 from cnoeabs.peaks (0.78, 1.74, 32.47 ppm; 4.31 A): 4 out of 10 assignments used, quality = 0.81: QD1 LEU 82 + HB3 LYS 94 OK 56 100 - 56 - 11491/3.0=29...(5) QD1 LEU 80 + HB3 LYS 94 OK 30 100 - 30 - 5502/3.9=7, 10102/3.0=7...(8) QD2 LEU 80 + HB3 LYS 94 OK 30 100 - 30 - 10102/3.0=7, 10978/1.8=6...(8) QD2 LEU 64 + HB3 LYS 94 OK 11 99 - 12 - 10102/3.0=3, 10100/3.9=3 QD1 LEU 81 - HB3 LYS 94 poor 9 90 - 10 - 10100/3.9=2, 10102/3.0=2...(4) QG1 VAL 107 - HB3 LYS 94 lone 6 77 - 8 - 7859/3.9=3, 10102/3.0=1...(4) QD2 LEU 14 - HB3 LYS 94 lone 5 77 - 6 - 10978/1.8=1 QD1 ILE 7 - HB3 LYS 94 lone 2 90 - 3 - QD1 ILE 15 - HB3 LYS 94 lone 1 81 - 2 - QG2 VAL 32 - HB3 LYS 94 lone 1 77 - 1 - Peak 10981 from cnoeabs.peaks (0.92, 1.34, 24.91 ppm; 4.01 A): 0 out of 8 assignments used, low quality = 0.00: QD1 LEU 90 - HG3 LYS 65 lone 7 84 - 8 - 4.4/4833=2, 5803/5.0=1 HG13 ILE 97 - HG3 LYS 65 lone 6 94 - 6 - ~10128=2, ~10129=2 QG1 VAL 104 - HG3 LYS 65 lone 4 84 - 5 - 10234/3.7=1, 10234/3.7=1 QD1 LEU 70 - HG3 LYS 65 lone 3 92 - 3 - QD2 LEU 70 - HG3 LYS 65 lone 2 84 - 3 - HG13 ILE 54 - HG3 LYS 65 lone 2 99 - 2 - QD2 LEU 127 - HG3 LYS 65 lone 1 77 - 1 - HG3 LYS 53 - HG3 LYS 65 lone 0 61 - 1 - Peak 10982 from cnoeabs.peaks (0.91, 1.54, 30.10 ppm; 4.37 A): 8 out of 14 assignments used, quality = 0.86: QD1 LEU 70 + HD2 LYS 94 OK 25 100 - 25 - 10101/4.7=6, 10977/3.6=4...(7) QD1 LEU 70 + HD3 LYS 94 OK 25 100 - 25 - 10101/4.7=6, 10977/3.6=4...(7) QD1 LEU 90 + HD3 LYS 94 OK 25 100 - 25 - 10101/4.7=7, 10977/3.6=4...(7) QD1 LEU 90 + HD2 LYS 94 OK 25 100 - 25 - 10101/4.7=7, 10977/3.6=4...(7) QD2 LEU 70 + HD3 LYS 94 OK 24 100 - 24 - 10101/4.7=7, 10977/3.6=4...(7) QD2 LEU 70 + HD2 LYS 94 OK 24 100 - 24 - 10101/4.7=7, 10977/3.6=4...(7) HG13 ILE 97 + HD2 LYS 94 OK 12 61 - 19 - 10122/4.7=9, ~10131=7...(4) HG13 ILE 97 + HD3 LYS 94 OK 12 61 - 19 - 10122/4.7=9, ~10131=7...(4) QG2 VAL 29 - HD3 LYS 94 lone 7 92 - 8 - 10101/4.7=2, 10977/3.6=1 QG2 VAL 29 - HD2 LYS 94 lone 7 92 - 8 - 10101/4.7=2, 10977/3.6=1 QD2 LEU 38 - HD3 LYS 94 lone 6 70 - 9 - 10101/4.7=2, 10977/3.6=1 QD2 LEU 38 - HD2 LYS 94 lone 6 70 - 9 - 10101/4.7=2, 10977/3.6=1 HG13 ILE 54 - HD3 LYS 94 lone 3 99 - 3 - HG13 ILE 54 - HD2 LYS 94 lone 3 99 - 3 - Peak 10984 from cnoeabs.peaks (4.02, 0.85, 17.08 ppm; 5.72 A): 3 out of 24 assignments used, quality = 0.94: HA PHE 120 + QG2 ILE 5 OK 74 95 - 79 - 5.6/9048=15, ~11658=14...(17) HA PHE 120 + QG2 ILE 15 OK 69 100 - 69 - 10556/3.2=18...(15) HA GLU 13 + QG2 ILE 15 OK 29 100 - 29 - ~10766=9, 3.6/1093=8...(5) HA3 GLY 75 - QG2 ILE 15 OK 17 87 - 20 - 1.8/9177=16, 1983/4.1=3 HA GLU 119 - QG2 ILE 15 OK 13 100 - 13 - 3.6/10551=7, 1983/4.1=2 HA LYS 40 - QG2 ILE 15 OK 11 100 - 11 - 1983/4.1=7 HA GLU 119 - QG2 ILE 5 poor 10 94 - 11 - 3.6/10551=7, 4558/4707=1 HA3 GLY 75 - QG2 ILE 5 poor 9 78 - 12 - 1.8/9177=10 HA LYS 123 - QG2 ILE 5 lone 8 95 - 9 - ~10690=4 HA LYS 123 - QG2 ILE 15 lone 7 100 - 7 - 1983/4.1=2 HA GLU 13 - QG2 ILE 5 lone 7 95 - 7 - 3.6/1093=2, 4.8/2641=2 HA GLU 66 - QG2 ILE 15 lone 5 100 - 5 - 1983/4.1=1 HB2 SER 126 - QG2 ILE 15 lone 4 100 - 4 - 1983/4.1=2 HB3 SER 126 - QG2 ILE 15 lone 4 98 - 4 - 1983/4.1=2 HA LYS 40 - QG2 ILE 5 lone 3 95 - 4 - HA GLU 92 - QG2 ILE 15 lone 3 96 - 3 - HA GLU 87 - QG2 ILE 15 lone 3 90 - 3 - HA GLU 66 - QG2 ILE 5 lone 3 95 - 3 - HA GLU 87 - QG2 ILE 5 lone 2 81 - 3 - HA GLU 92 - QG2 ILE 5 lone 2 88 - 3 - HB2 SER 126 - QG2 ILE 5 lone 1 95 - 2 - HB3 SER 126 - QG2 ILE 5 lone 1 91 - 2 - HA3 GLY 101 - QG2 ILE 15 lone 1 77 - 2 - HA3 GLY 101 - QG2 ILE 5 lone 1 69 - 1 - Peak 10985 from cnoeabs.peaks (0.72, 2.11, 41.07 ppm; 4.96 A): 4 out of 12 assignments used, quality = 0.94: QD2 LEU 63 + HB2 LEU 38 OK 72 81 - 89 - 10988/3.1=23...(19) QD1 LEU 63 + HB2 LEU 38 OK 54 65 - 82 - 2.1/9684=18, ~10987=16...(17) QD1 LEU 6 + HB2 LEU 38 OK 33 96 - 35 - 10987/3.1=7, 10988/3.1=6...(11) QD2 LEU 6 + HB2 LEU 38 OK 30 87 - 35 - ~10987=5, 10743/2.9=5...(11) QG2 VAL 78 - HB2 LEU 38 OK 14 100 - 14 - 10988/3.1=3, 5409/4.6=3...(5) QD2 LEU 45 - HB2 LEU 38 OK 13 100 - 13 - 10988/3.1=2, ~11526=2...(7) QG1 VAL 117 - HB2 LEU 38 OK 13 100 - 13 - 2.1/11525=3, 11673/1.8=3...(5) QD2 LEU 81 - HB2 LEU 38 OK 12 70 - 17 - ~11388=3, 2.1/11607=3...(8) QD1 ILE 57 - HB2 LEU 38 lone 5 73 - 7 - 2.1/11525=2, ~11003=1 HG13 ILE 18 - HB2 LEU 38 lone 5 98 - 5 - QG2 ILE 18 - HB2 LEU 38 lone 5 99 - 4 - QD2 LEU 55 - HB2 LEU 38 lone 4 84 - 5 - 11136/1.8=1 Peak 10987 from cnoeabs.peaks (0.71, 0.96, 25.76 ppm; 3.37 A): 2 out of 9 assignments used, quality = 0.73: QD2 LEU 63 + QD1 LEU 38 OK 66 98 - 67 - 10988/2.1=18, 9684/3.1=9...(17) QD1 LEU 6 + QD1 LEU 38 OK 20 100 - 20 - 10988/2.1=4, 2482/3.1=3...(9) QG2 VAL 78 - QD1 LEU 38 lone 8 92 - 8 - 10988/2.1=3, 5409/4.8=1 QD2 LEU 81 - QD1 LEU 38 lone 7 94 - 8 - 10988/2.1=2, 11389/3.1=2 QD2 LEU 45 - QD1 LEU 38 lone 6 92 - 6 - 10988/2.1=2, 2.1/10995=1 QG1 VAL 117 - QD1 LEU 38 lone 6 98 - 6 - 10988/2.1=1 QD1 ILE 57 - QD1 LEU 38 lone 3 96 - 3 - QG2 ILE 18 - QD1 LEU 38 lone 2 100 - 2 - HG13 ILE 18 - QD1 LEU 38 lone 2 81 - 2 - Peak 10988 from cnoeabs.peaks (0.72, 0.89, 25.56 ppm; 3.06 A): 3 out of 11 assignments used, quality = 0.65: QD2 LEU 63 + QD2 LEU 38 OK 54 87 - 63 - 10987/2.1=14...(18) QD1 LEU 6 + QD2 LEU 38 OK 14 98 - 14 - 10987/2.1=4, 2482/3.1=2 QD2 LEU 6 + QD2 LEU 38 OK 10 81 - 13 - ~10987=2, 10743/3.8=1...(5) QG2 VAL 78 - QD2 LEU 38 lone 8 99 - 8 - 10987/2.1=2, 4.0/7470=1 QD2 LEU 81 - QD2 LEU 38 lone 5 77 - 7 - 10987/2.1=2, 11389/3.1=1 QD2 LEU 45 - QD2 LEU 38 lone 5 99 - 5 - 10987/2.1=1 QG1 VAL 117 - QD2 LEU 38 lone 5 100 - 5 - 10987/2.1=1 QD2 LEU 55 - QD2 LEU 38 lone 2 77 - 2 - QG2 ILE 18 - QD2 LEU 38 lone 2 100 - 2 - QD1 ILE 57 - QD2 LEU 38 lone 2 81 - 2 - HG13 ILE 18 - QD2 LEU 38 lone 2 96 - 2 - Peak 10989 from cnoeabs.peaks (2.18, 0.96, 25.76 ppm; 3.72 A): 5 out of 8 assignments used, quality = 0.91: HB2 MET 42 + QD1 LEU 38 OK 62 90 - 69 - 3.0/10993=17...(14) HG3 GLU 66 + QD1 LEU 38 OK 51 97 - 53 - 11067/2.1=18, ~11064=11...(10) HB3 GLU 37 + QD1 LEU 38 OK 27 99 - 27 - 208/4.4=12, 9385/2.1=5...(8) HB3 MET 1 + QD1 LEU 38 OK 18 65 - 28 - 3.0/10877=7, 3.0/10878=7...(7) HB2 GLN 85 + QD1 LEU 38 OK 15 97 - 16 - 11404/2.1=4, 3.0/10990=3...(8) HB2 GLU 98 - QD1 LEU 38 lone 8 100 - 8 - 11404/2.1=2, 208/4.4=1...(4) HB2 GLN 62 - QD1 LEU 38 lone 6 84 - 7 - 9385/2.1=1 HB3 GLN 62 - QD1 LEU 38 lone 6 84 - 7 - 9385/2.1=1 Peak 10990 from cnoeabs.peaks (2.40, 0.96, 25.76 ppm; 4.03 A): 4 out of 10 assignments used, quality = 0.91: HG3 MET 67 + QD1 LEU 38 OK 70 100 - 70 - 1.8/10991=30...(13) HG2 GLU 66 + QD1 LEU 38 OK 55 97 - 57 - 11064/2.1=18, ~11067=14...(10) HG3 GLN 85 + QD1 LEU 38 OK 19 97 - 19 - ~11404=3, 3.0/10989=3...(9) HG2 GLN 85 + QD1 LEU 38 OK 18 94 - 19 - ~11404=3, 3.0/10989=3...(9) HG3 GLN 62 - QD1 LEU 38 lone 6 81 - 8 - 3.0/10989=1, 3.0/10989=1 HG2 GLN 62 - QD1 LEU 38 lone 6 77 - 8 - 3.0/10989=1, 3.0/10989=1 HG2 GLN 122 - QD1 LEU 38 lone 4 96 - 4 - 3.9/10997=1 HB2 ASP 110 - QD1 LEU 38 lone 2 65 - 3 - HG2 GLN 25 - QD1 LEU 38 lone 1 77 - 1 - HG2 GLU 91 - QD1 LEU 38 lone 1 61 - 1 - Peak 10991 from cnoeabs.peaks (2.57, 0.96, 25.76 ppm; 3.80 A): 2 out of 5 assignments used, quality = 0.74: HG2 MET 67 + QD1 LEU 38 OK 69 99 - 69 - 9711=25, 3.3/9723=15...(15) HB2 ASP 84 + QD1 LEU 38 OK 15 70 - 22 - 1.8/10992=8, ~9379=5...(5) HB3 ASP 60 - QD1 LEU 38 lone 8 100 - 8 - 9644/11261=3...(3) HE3 LYS 77 - QD1 LEU 38 lone 2 99 - 2 - HB3 ASP 86 - QD1 LEU 38 lone 1 99 - 1 - Peak 10992 from cnoeabs.peaks (2.66, 0.96, 25.76 ppm; 4.27 A): 2 out of 7 assignments used, quality = 0.86: HG2 MET 42 + QD1 LEU 38 OK 79 96 - 82 - 1.8/10993=28...(15) HB3 ASP 84 + QD1 LEU 38 OK 36 100 - 36 - ~10994=10, 9379/2.1=8...(6) HB3 ASP 36 - QD1 LEU 38 lone 9 100 - 9 - 4.0/10998=7 HB2 TYR 76 - QD1 LEU 38 lone 4 100 - 4 - 2.5/4615=2 HB2 TYR 27 - QD1 LEU 38 lone 3 100 - 3 - HB3 ASP 110 - QD1 LEU 38 lone 3 70 - 4 - HE3 LYS 61 - QD1 LEU 38 lone 1 92 - 1 - Peak 10993 from cnoeabs.peaks (2.75, 0.96, 25.76 ppm; 4.18 A): 2 out of 5 assignments used, quality = 0.83: HG3 MET 42 + QD1 LEU 38 OK 78 94 - 83 - 1.8/10992=22...(16) HB3 TYR 102 + QD1 LEU 38 OK 21 100 - 21 - 9378/2.1=7, 11670/2.1=6...(4) HB2 ASP 60 - QD1 LEU 38 lone 6 70 - 9 - 1.8/10991=4, 9378/2.1=1...(4) HE2 LYS 2 - QD1 LEU 38 lone 3 98 - 3 - HB3 ASN 11 - QD1 LEU 38 lone 2 96 - 2 - Peak 10994 from cnoeabs.peaks (2.59, 0.89, 25.56 ppm; 5.32 A): 2 out of 3 assignments used, quality = 0.68: HB2 ASP 84 + QD2 LEU 38 OK 48 99 - 48 - ~10992=10, ~9379=9...(9) HG3 MET 1 + QD2 LEU 38 OK 39 92 - 43 - 10878/2.1=14, ~10877=12...(8) HE3 LYS 77 - QD2 LEU 38 lone 3 73 - 4 - Peak 10995 from cnoeabs.peaks (1.89, 0.96, 25.76 ppm; 3.34 A): 3 out of 20 assignments used, quality = 0.85: QE MET 67 + QD1 LEU 38 OK 57 98 - 58 - 9723=23, 3.3/10991=15...(12) HB2 LEU 63 + QD1 LEU 38 OK 50 77 - 64 - 3.1/10987=14, ~11260=11...(18) QE MET 42 + QD1 LEU 38 OK 32 57 - 55 - 3.3/10993=13...(13) HG LEU 45 - QD1 LEU 38 lone 6 99 - 6 - 2.1/10987=2 HB2 LYS 96 - QD1 LEU 38 lone 5 77 - 6 - 4.6/217=2, 7796/4.8=2 HB ILE 7 - QD1 LEU 38 lone 3 98 - 4 - 11230/3.8=1 HB2 LYS 16 - QD1 LEU 38 lone 3 98 - 3 - HB3 LYS 16 - QD1 LEU 38 lone 3 99 - 3 - HB2 ARG 95 - QD1 LEU 38 lone 3 90 - 3 - HB2 LEU 45 - QD1 LEU 38 lone 3 65 - 4 - 3.1/10987=1 HB2 GLU 128 - QD1 LEU 38 lone 2 77 - 3 - 3.0/11025=1 HG2 ARG 95 - QD1 LEU 38 lone 2 92 - 2 - HB3 LYS 20 - QD1 LEU 38 lone 2 99 - 2 - HB2 LYS 20 - QD1 LEU 38 lone 2 99 - 2 - HB ILE 71 - QD1 LEU 38 lone 2 92 - 2 - HB3 LYS 73 - QD1 LEU 38 lone 1 96 - 1 - HB2 LYS 73 - QD1 LEU 38 lone 1 94 - 1 - HB3 LYS 43 - QD1 LEU 38 lone 1 77 - 1 - HB3 ARG 118 - QD1 LEU 38 lone 1 77 - 1 - HB2 LYS 49 - QD1 LEU 38 lone 1 84 - 1 - Peak 10996 from cnoeabs.peaks (4.04, 0.89, 25.56 ppm; 3.88 A): 5 out of 15 assignments used, quality = 0.91: HA SER 35 + QD2 LEU 38 OK 70 99 - 71 - 8029/3.1=20, 8031/3.1=15...(13) HA GLU 66 + QD2 LEU 38 OK 39 77 - 51 - 3.7/11067=13...(9) HA GLU 37 + QD2 LEU 38 OK 27 65 - 41 - 3.6/1237=19, 2.9/9359=8...(8) HA GLU 87 + QD2 LEU 38 OK 24 98 - 25 - 10054=6, 3.0/10056=5...(10) HA LYS 40 + QD2 LEU 38 OK 11 61 - 18 - 3.0/9392=13, ~222=3, 9377/2.1=1 HA GLU 69 - QD2 LEU 38 poor 10 81 - 12 - 2.9/11001=3, 8030/3.1=1...(6) HB3 SER 126 - QD2 LEU 38 lone 7 90 - 8 - ~10644=2, 11035/2.1=1 HA LYS 123 - QD2 LEU 38 lone 5 73 - 7 - ~10998=2, 3.0/9386=1 HB2 SER 126 - QD2 LEU 38 lone 5 65 - 7 - ~10644=1, 10644/2.1=1 HA GLU 92 - QD2 LEU 38 lone 4 94 - 4 - HA2 GLY 125 - QD2 LEU 38 lone 4 90 - 4 - HA GLU 119 - QD2 LEU 38 lone 2 81 - 2 - HA PHE 120 - QD2 LEU 38 lone 1 61 - 2 - HA LYS 44 - QD2 LEU 38 lone 1 57 - 2 - HA GLU 13 - QD2 LEU 38 lone 1 77 - 1 - Peak 10997 from cnoeabs.peaks (4.13, 0.96, 25.76 ppm; 4.55 A): 2 out of 9 assignments used, quality = 0.79: HA LEU 63 + QD1 LEU 38 OK 71 94 - 75 - 11527/2.1=22, 11253=19...(11) HA MET 1 + QD1 LEU 38 OK 29 97 - 30 - 3.9/10877=9, 3.9/10878=9...(6) HA GLN 122 - QD1 LEU 38 lone 8 92 - 9 - 3.6/10998=3, 11527/2.1=2 HA ALA 124 - QD1 LEU 38 lone 5 61 - 9 - 2.1/10618=3, 3.0/10614=2 HA GLN 62 - QD1 LEU 38 lone 4 57 - 8 - 3.0/10989=1, 3.0/10989=1...(4) HA VAL 22 - QD1 LEU 38 lone 3 97 - 4 - HB3 SER 72 - QD1 LEU 38 lone 3 100 - 2 - HB2 SER 72 - QD1 LEU 38 lone 3 100 - 2 - HA3 GLY 26 - QD1 LEU 38 lone 2 100 - 2 - Peak 10998 from cnoeabs.peaks (8.40, 0.96, 25.76 ppm; 4.47 A): 3 out of 3 assignments used, quality = 0.84: H MET 67 + QD1 LEU 38 OK 72 97 - 74 - 9699=29, 5.1/10991=17...(14) H ASP 36 + QD1 LEU 38 OK 37 84 - 44 - 2030/4.4=11...(9) H LYS 123 + QD1 LEU 38 OK 12 100 - 12 - 4.6/10614=2, 3.6/10997=2...(4) Peak 10999 from cnoeabs.peaks (8.76, 0.96, 25.76 ppm; 5.08 A): 0 out of 2 assignments used, low quality = 0.00: H ILE 5 - QD1 LEU 38 lone 8 96 - 8 - 4.6/7=4, 12/3.1=2 H VAL 29 - QD1 LEU 38 lone 3 61 - 5 - 1189/2.1=1 Peak 11001 from cnoeabs.peaks (7.63, 0.89, 25.56 ppm; 5.15 A): 4 out of 9 assignments used, quality = 0.82: H LEU 64 + QD2 LEU 38 OK 66 94 - 70 - 3.6/11527=23...(13) H GLU 69 + QD2 LEU 38 OK 22 96 - 23 - 11315/4.4=3, 2106/9386=2...(9) HE21 GLN 85 + QD2 LEU 38 OK 22 90 - 25 - 4.4/11404=5, 6.3/10029=4...(8) H ASP 34 + QD2 LEU 38 OK 14 61 - 23 - 11315/4.4=14...(5) H ALA 46 - QD2 LEU 38 lone 8 100 - 8 - 2071/9415=2, 3.6/11527=1 H GLN 100 - QD2 LEU 38 lone 5 87 - 5 - 11315/4.4=1 H LYS 115 - QD2 LEU 38 lone 3 65 - 5 - HD21 ASN 50 - QD2 LEU 38 lone 3 100 - 3 - HD21 ASN 10 - QD2 LEU 38 lone 1 98 - 2 - Peak 11002 from cnoeabs.peaks (7.81, 0.96, 25.76 ppm; 4.94 A): 1 out of 1 assignment used, quality = 0.77: H LYS 39 + QD1 LEU 38 OK 77 77 - 100 - 4.8=100 Peak 11003 from cnoeabs.peaks (0.86, 3.91, 59.13 ppm; 3.26 A): 1 out of 9 assignments used, quality = 0.70: QG1 VAL 32 + HA LEU 38 OK 70 98 - 71 - 9288=34, 2.1/9289=15...(10) QD1 LEU 14 - HA LEU 38 lone 7 100 - 7 - 11505/3.0=2, 11525/2.9=2...(4) QG2 VAL 107 - HA LEU 38 lone 6 97 - 7 - 11505/3.0=2, 11525/2.9=2 QG2 VAL 117 - HA LEU 38 lone 4 99 - 4 - 11525/2.9=1 HG13 ILE 57 - HA LEU 38 lone 3 100 - 3 - QG2 THR 9 - HA LEU 38 lone 3 100 - 3 - QG2 VAL 22 - HA LEU 38 lone 2 97 - 2 - HG13 ILE 5 - HA LEU 38 lone 2 77 - 2 - QG2 ILE 15 - HA LEU 38 lone 1 81 - 2 - Peak 11004 from cnoeabs.peaks (7.34, 0.76, 24.53 ppm; 4.45 A): 2 out of 2 assignments used, quality = 0.95: HD22 ASN 11 + QD2 LEU 14 OK 78 92 - 85 - 3.5/9170=16...(24) HD21 ASN 11 + QD2 LEU 14 OK 76 90 - 85 - 3.5/9170=16...(24) Peak 11005 from cnoeabs.peaks (7.19, 0.76, 24.53 ppm; 4.11 A): 2 out of 2 assignments used, quality = 0.83: HE22 GLN 83 + QD2 LEU 14 OK 60 92 - 65 - 3.5/11007=21...(12) HE21 GLN 83 + QD2 LEU 14 OK 58 90 - 65 - 3.5/11007=21...(12) Peak 11006 from cnoeabs.peaks (6.18, 0.76, 24.53 ppm; 4.39 A): 0 out of 1 assignment used, low quality = 0.34: HG1 THR 9 - QD2 LEU 14 OK 34 100 - 34 - ~10756=14, 9132/9144=6...(8) Peak 11007 from cnoeabs.peaks (2.12, 0.76, 24.53 ppm; 3.84 A): 1 out of 13 assignments used, quality = 0.63: HG3 GLN 83 + QD2 LEU 14 OK 63 100 - 63 - 3.0/11518=16...(12) HB2 LEU 38 - QD2 LEU 14 lone 8 99 - 8 - 11525/2.1=3, 1.8/11526=2...(4) HB VAL 107 - QD2 LEU 14 lone 7 100 - 7 - 4.4/690=2, 4.0/1714=1 HG2 GLU 41 - QD2 LEU 14 lone 2 81 - 2 - HG2 GLU 21 - QD2 LEU 14 lone 1 84 - 1 - HB2 GLU 91 - QD2 LEU 14 lone 1 98 - 1 - HB3 GLU 119 - QD2 LEU 14 lone 1 99 - 1 - HB2 GLU 119 - QD2 LEU 14 lone 1 100 - 1 - HB2 GLU 21 - QD2 LEU 14 lone 1 100 - 1 - HB3 GLU 92 - QD2 LEU 14 lone 1 87 - 1 - HG3 GLU 21 - QD2 LEU 14 lone 1 77 - 1 - HB3 GLU 47 - QD2 LEU 14 lone 0 94 - 1 - HG2 GLU 52 - QD2 LEU 14 lone 0 61 - 1 - Peak 11008 from cnoeabs.peaks (2.33, 0.76, 24.53 ppm; 4.85 A): 3 out of 8 assignments used, quality = 0.90: HG2 GLN 83 + QD2 LEU 14 OK 82 100 - 82 - 1.8/11007=35...(13) HG2 GLU 112 + QD2 LEU 14 OK 26 100 - 26 - 4.9/7358=7, 11465/2.1=4...(8) HG3 GLU 112 + QD2 LEU 14 OK 26 100 - 26 - 4.9/7358=7, 11465/2.1=4...(7) HB3 PHE 120 - QD2 LEU 14 lone 4 96 - 4 - HG2 GLU 92 - QD2 LEU 14 lone 2 61 - 3 - 67/4.3=2 HG3 GLU 103 - QD2 LEU 14 lone 1 87 - 1 - HG3 GLU 48 - QD2 LEU 14 lone 1 73 - 1 - HG3 GLN 100 - QD2 LEU 14 lone 1 73 - 1 - Peak 11010 from cnoeabs.peaks (1.77, 1.41, 18.60 ppm; 5.05 A): 2 out of 11 assignments used, quality = 0.68: HG12 ILE 18 + QB ALA 113 OK 60 99 - 61 - 2.1/10421=34...(9) HB2 LEU 64 + QB ALA 113 OK 19 61 - 32 - 4.2/11125=5, 3.6/10408=4...(12) HG2 LYS 17 - QB ALA 113 poor 9 77 - 12 - 3.9/10428=4...(4) HB VAL 32 - QB ALA 113 lone 9 98 - 9 - 2.1/11513=2, 2.1/10418=2...(4) HB2 LEU 55 - QB ALA 113 lone 7 94 - 7 - 3.1/10420=1, ~10416=1 HB2 LEU 90 - QB ALA 113 lone 6 98 - 6 - 4.0/11125=1 HB2 LYS 19 - QB ALA 113 lone 2 65 - 4 - 11460/10898=1 HG3 ARG 105 - QB ALA 113 lone 2 65 - 4 - 4.9/10407=1 HB2 LEU 80 - QB ALA 113 lone 2 70 - 3 - HB3 GLN 28 - QB ALA 113 lone 2 84 - 3 - HB3 LYS 49 - QB ALA 113 lone 1 77 - 2 - Peak 11014 from cnoeabs.peaks (4.55, 2.09, 30.37 ppm; 4.24 A): 0 out of 3 assignments used, low quality = 0.28: HA PHE 79 - HB2 GLU 103 OK 19 70 - 28 - 3.7/10206=18...(4) HA ASN 88 - HB2 GLU 103 OK 11 90 - 12 - 10687/4.0=6, 2.9/550=3, 8174=2 HA LYS 77 - HB2 GLU 103 lone 1 100 - 1 - Peak 11015 from cnoeabs.peaks (0.68, 1.86, 32.95 ppm; 5.46 A): 2 out of 6 assignments used, quality = 0.94: QD1 ILE 116 + HB2 ARG 105 OK 92 100 - 92 - 3.0/11415=33, ~10272=26...(11) QD2 LEU 114 + HB2 ARG 105 OK 24 87 - 28 - ~11019=6, 10281/4.2=5...(9) QG2 ILE 97 - HB2 ARG 105 OK 20 100 - 20 - 10114/1.8=7, 11107/3.0=4...(5) QG2 ILE 56 - HB2 ARG 105 OK 11 87 - 12 - 2.9/9547=4, 11016/3.0=2 QD1 LEU 55 - HB2 ARG 105 lone 9 100 - 9 - 11016/3.0=2, 11512/3.0=2...(5) QD2 LEU 4 - HB2 ARG 105 lone 5 99 - 5 - 10281/4.2=1 Peak 11016 from cnoeabs.peaks (0.69, 1.80, 26.58 ppm; 4.96 A): 2 out of 8 assignments used, quality = 0.93: QD1 ILE 116 + HG2 ARG 105 OK 89 96 - 93 - 3.0/10273=37, ~10274=26...(13) QD2 LEU 81 + HG2 ARG 105 OK 35 65 - 54 - 2.1/11019=24, ~11018=12...(7) QG2 ILE 97 - HG2 ARG 105 OK 19 98 - 20 - 10114/3.0=6, 11107/1.8=5...(6) QD2 LEU 114 - HG2 ARG 105 OK 15 65 - 23 - 2.1/11019=9, 11015/3.0=4...(7) QG2 ILE 56 - HG2 ARG 105 OK 12 98 - 12 - 11512/1.8=3, ~10277=2...(5) QD1 LEU 55 - HG2 ARG 105 lone 8 99 - 8 - 11512/1.8=2, 2.1/11487=2 QD2 LEU 4 - HG2 ARG 105 lone 4 92 - 5 - QD1 ILE 57 - HG2 ARG 105 lone 1 61 - 2 - Peak 11018 from cnoeabs.peaks (0.79, 1.86, 32.95 ppm; 5.08 A): 6 out of 7 assignments used, quality = 0.85: QD1 LEU 81 + HB2 ARG 105 OK 70 100 - 70 - 3.9/10896=22...(11) QD1 LEU 114 + HB2 ARG 105 OK 14 73 - 19 - 11019/3.0=7, 2.1/11015=5...(6) QD1 LEU 82 + HB2 ARG 105 OK 13 90 - 15 - 10267/4.1=5, 10280/4.2=5...(4) QD2 LEU 80 + HB2 ARG 105 OK 13 84 - 15 - 10267/4.1=9...(4) QD2 LEU 64 + HB2 ARG 105 OK 12 98 - 12 - 11019/3.0=3, ~11019=2...(4) QD1 LEU 80 + HB2 ARG 105 OK 11 81 - 14 - 10267/4.1=9, 10280/4.2=2 QG1 VAL 29 - HB2 ARG 105 lone 3 90 - 3 - 11019/3.0=1 Peak 11019 from cnoeabs.peaks (0.80, 1.80, 26.58 ppm; 4.51 A): 2 out of 8 assignments used, quality = 0.58: QD1 LEU 81 + HG2 ARG 105 OK 49 92 - 53 - 9958/10273=13...(10) QD1 LEU 114 + HG2 ARG 105 OK 19 98 - 19 - ~10277=4, ~10275=3...(8) QD2 LEU 64 - HG2 ARG 105 lone 7 73 - 9 - 11018/3.0=2...(3) QD1 LEU 64 - HG2 ARG 105 lone 6 77 - 8 - 4732/10252=2, ~11018=2 QG1 VAL 29 - HG2 ARG 105 lone 3 100 - 3 - QG2 ILE 71 - HG2 ARG 105 lone 2 65 - 2 - QD1 LEU 74 - HG2 ARG 105 lone 1 65 - 1 - QD2 LEU 74 - HG2 ARG 105 lone 1 57 - 1 - Peak 11020 from cnoeabs.peaks (2.34, 0.76, 21.72 ppm; 3.88 A): 3 out of 6 assignments used, quality = 0.85: HG2 GLN 83 + QG1 VAL 107 OK 56 97 - 58 - 11021/2.1=13...(13) HG3 GLU 112 + QG1 VAL 107 OK 42 99 - 42 - 11021/2.1=11, ~11021=7...(10) HG2 GLU 112 + QG1 VAL 107 OK 41 98 - 42 - 11021/2.1=11, ~11021=7...(10) HB3 PHE 120 - QG1 VAL 107 lone 3 100 - 3 - 8279/11195=1 HG3 GLN 100 - QG1 VAL 107 lone 1 96 - 1 - HG2 GLU 13 - QG1 VAL 107 lone 1 65 - 1 - Peak 11021 from cnoeabs.peaks (2.35, 0.87, 20.76 ppm; 3.84 A): 3 out of 6 assignments used, quality = 0.87: HG2 GLN 83 + QG2 VAL 107 OK 56 94 - 60 - 11020/2.1=13...(14) HG3 GLU 112 + QG2 VAL 107 OK 47 97 - 49 - 11020/2.1=10, 11465=10...(11) HG2 GLU 112 + QG2 VAL 107 OK 46 96 - 49 - 11020/2.1=10, 11465=10...(11) HB3 PHE 120 - QG2 VAL 107 lone 3 100 - 3 - 10497/11417=2 HG3 GLN 100 - QG2 VAL 107 lone 2 98 - 2 - HG2 GLU 13 - QG2 VAL 107 lone 1 73 - 1 - Peak 11022 from cnoeabs.peaks (0.62, 1.74, 40.94 ppm; 5.15 A): 3 out of 12 assignments used, quality = 0.89: QD1 ILE 18 + HB2 LEU 114 OK 79 94 - 84 - 11023/1.8=26, ~11629=23...(11) QG1 VAL 78 + HB2 LEU 68 OK 36 66 - 55 - 9867/2.9=27, 9865/3.1=22...(6) QD1 ILE 5 + HB2 LEU 114 OK 17 100 - 17 - 11023/1.8=6, 10921/3.0=5...(4) QD1 ILE 5 - HB2 LEU 68 poor 10 71 - 13 - 9768/3.1=6, ~11071=2 HG13 ILE 15 - HB2 LEU 114 lone 8 81 - 9 - 5.0/1099=4, 11023/1.8=3 QG1 VAL 78 - HB2 LEU 114 lone 8 97 - 8 - 11023/1.8=2, 11126/3.0=2 QD1 ILE 54 - HB2 LEU 68 lone 4 53 - 8 - 9768/3.1=4 QG1 VAL 22 - HB2 LEU 114 lone 3 73 - 4 - 11023/1.8=2 QD1 ILE 54 - HB2 LEU 114 lone 3 84 - 3 - HG13 ILE 15 - HB2 LEU 68 lone 2 50 - 4 - 9768/3.1=1 QD1 ILE 18 - HB2 LEU 68 lone 2 62 - 3 - QG1 VAL 22 - HB2 LEU 68 lone 2 45 - 3 - 9768/3.1=1 Peak 11023 from cnoeabs.peaks (0.63, 1.40, 40.94 ppm; 5.05 A): 2 out of 7 assignments used, quality = 0.82: QD1 ILE 18 + HB3 LEU 114 OK 78 87 - 90 - ~11629=23, ~11711=21...(15) QD1 ILE 5 + HB3 LEU 114 OK 18 100 - 18 - 10921/3.0=4, 11022/1.8=4...(8) HG13 ILE 15 - HB3 LEU 114 lone 8 90 - 9 - 3.9/9179=3, 11022/1.8=2 QG1 VAL 78 - HB3 LEU 114 lone 7 92 - 7 - 11022/1.8=2, 11126/3.0=1 QG1 VAL 22 - HB3 LEU 114 lone 6 84 - 7 - 10857/9187=2 QD1 ILE 54 - HB3 LEU 114 lone 3 92 - 3 - QD1 LEU 4 - HB3 LEU 114 lone 1 70 - 2 - Peak 11024 from cnoeabs.peaks (3.79, 1.73, 28.01 ppm; 5.38 A): 2 out of 5 assignments used, quality = 0.95: HA LYS 115 + HG2 ARG 118 OK 83 99 - 84 - 8264/3.0=34...(10) HA LYS 65 + HG2 ARG 118 OK 72 100 - 73 - 10539/3.0=16...(15) HA ALA 113 - HG2 ARG 118 OK 21 99 - 21 - 8263/3.0=5, 8265/3.0=4...(7) HA LEU 68 - HG2 ARG 118 lone 4 73 - 6 - 8148/4.5=1 HB2 SER 58 - HG2 ARG 118 lone 2 77 - 2 - Peak 11025 from cnoeabs.peaks (0.96, 3.91, 57.61 ppm; 5.63 A): 5 out of 10 assignments used, quality = 0.76: QD1 ILE 3 + HA GLU 128 OK 47 87 - 54 - 9028/2.9=20, 9014=17...(6) QD1 LEU 38 + HA LEU 64 OK 31 86 - 36 - ~11001=13, 3552=5...(10) QD1 LEU 38 + HA GLU 128 OK 14 99 - 14 - 11026/3.0=3, 9699/2097=2...(6) HG13 ILE 56 + HA LEU 64 OK 13 89 - 15 - ~387=3, 9723/9729=2...(7) QD1 ILE 3 + HA LEU 64 OK 12 72 - 17 - 9014=5, 4659/9688=3...(5) HG13 ILE 56 - HA GLU 128 lone 7 100 - 7 - 11026/3.0=2 HG13 ILE 116 - HA LEU 64 lone 4 69 - 6 - ~6812=2, ~1418=1 HG13 ILE 116 - HA GLU 128 lone 3 84 - 3 - HD3 LYS 2 - HA GLU 128 lone 3 100 - 3 - HD3 LYS 2 - HA LEU 64 lone 2 88 - 2 - Peak 11026 from cnoeabs.peaks (0.96, 1.90, 29.83 ppm; 6.08 A): 1 out of 10 assignments used, quality = 0.57: QD1 ILE 3 + HB2 GLU 128 OK 57 99 - 57 - 9028/4.0=24, 9014/3.0=19...(7) QD1 LEU 38 - HB2 ARG 95 poor 10 98 - 10 - 4.8/613=2, 3.8/11230=1, ~11527=1 QD1 ILE 3 - HB2 ARG 95 lone 10 97 - 10 - 9016/3.0=2, 9028/1837=1 QD1 LEU 38 - HB2 GLU 128 lone 10 100 - 9 - 11025/3.0=4, ~3538=1 HG13 ILE 56 - HB2 ARG 95 lone 6 96 - 7 - ~11249=2, 10949/3.0=1 HG13 ILE 56 - HB2 GLU 128 lone 6 98 - 6 - 11025/3.0=2, ~11249=1 HG13 ILE 116 - HB2 GLU 128 lone 3 98 - 3 - HD3 LYS 2 - HB2 GLU 128 lone 3 99 - 3 - HD3 LYS 2 - HB2 ARG 95 lone 2 97 - 2 - HG13 ILE 116 - HB2 ARG 95 lone 2 96 - 2 - Peak 11027 from cnoeabs.peaks (0.66, 3.37, 65.47 ppm; 3.44 A): 1 out of 5 assignments used, quality = 0.72: QD2 LEU 114 + HA ILE 18 OK 72 96 - 75 - 10439=40, 2.1/11028=20...(12) QD1 ILE 56 - HA ILE 18 lone 7 100 - 7 - 7580/3.6=2, ~97=1 QD2 LEU 4 - HA ILE 18 lone 4 73 - 5 - 11709/3.8=1, 11710/3.8=1 QD1 ILE 116 - HA ILE 18 lone 2 65 - 3 - QD1 ILE 71 - HA ILE 18 lone 1 96 - 1 - Peak 11028 from cnoeabs.peaks (0.79, 3.37, 65.47 ppm; 4.06 A): 1 out of 8 assignments used, quality = 0.59: QD1 LEU 114 + HA ILE 18 OK 59 90 - 66 - 2.1/10439=40...(8) QD1 LEU 81 - HA ILE 18 lone 6 99 - 6 - 11633/3.0=2, 11711/3.8=1 QG1 VAL 29 - HA ILE 18 lone 4 98 - 4 - 2.1/9188=2 QD1 LEU 64 - HA ILE 18 lone 2 57 - 3 - QD2 LEU 64 - HA ILE 18 lone 1 90 - 2 - QD2 LEU 80 - HA ILE 18 lone 1 65 - 2 - QD1 LEU 80 - HA ILE 18 lone 1 61 - 2 - QD1 LEU 82 - HA ILE 18 lone 1 73 - 1 - Peak 11029 from cnoeabs.peaks (0.79, 1.79, 32.33 ppm; 4.95 A): 1 out of 8 assignments used, quality = 0.94: QG1 VAL 29 + HB2 LYS 19 OK 94 98 - 96 - 10926/3.0=38...(17) QD2 LEU 64 - HB2 LYS 19 OK 22 90 - 25 - ~11520=6, ~10784=5...(7) QD1 LEU 64 - HB2 LYS 19 poor 9 57 - 16 - ~11030=3, 11030/1.8=2...(7) QD1 LEU 81 - HB2 LYS 19 lone 9 99 - 9 - 11030/1.8=3, ~11634=2 QD1 LEU 114 - HB2 LYS 19 lone 4 90 - 5 - 2.1/11629=1, 11030/1.8=1 QD1 LEU 82 - HB2 LYS 19 lone 3 73 - 4 - ~10784=1, ~11520=1 QD2 LEU 80 - HB2 LYS 19 lone 2 65 - 3 - QD1 LEU 80 - HB2 LYS 19 lone 1 61 - 2 - Peak 11030 from cnoeabs.peaks (0.80, 1.83, 32.33 ppm; 4.82 A): 1 out of 18 assignments used, quality = 0.94: QG1 VAL 29 + HB3 LYS 19 OK 94 99 - 94 - 10926/3.0=38...(15) QD2 LEU 64 - HB3 LYS 19 OK 18 84 - 22 - 11029/1.8=6, ~11520=5...(6) QD1 LEU 81 - HB3 LYS 19 OK 12 97 - 12 - 2.1/11634=3, 11633=3...(4) QD1 LEU 81 - HB3 LYS 77 OK 12 81 - 14 - 11633=3, 11633/1.8=3...(7) QD1 LEU 81 - HB2 LYS 77 OK 10 75 - 14 - 11633/1.8=3, 11633=3...(6) QD1 LEU 64 - HB3 LYS 19 poor 8 65 - 13 - ~11029=4, 11029/1.8=2...(5) QD1 LEU 114 - HB3 LYS 19 lone 5 94 - 5 - 11029/1.8=1, ~11629=1 QD1 LEU 82 - HB3 LYS 19 lone 3 65 - 4 - ~10784=1 QD2 LEU 64 - HB3 LYS 77 lone 2 67 - 2 - QD2 LEU 64 - HB2 LYS 77 lone 1 61 - 2 - QG1 VAL 29 - HB3 LYS 77 lone 1 85 - 1 - QD1 LEU 64 - HB3 LYS 77 lone 1 51 - 2 - QD1 LEU 82 - HB3 LYS 77 lone 1 51 - 2 - QG1 VAL 29 - HB2 LYS 77 lone 1 79 - 1 - QD1 LEU 64 - HB2 LYS 77 lone 1 46 - 2 - QD1 LEU 82 - HB2 LYS 77 lone 1 46 - 2 - QD1 LEU 114 - HB3 LYS 77 lone 1 78 - 1 - QD1 LEU 114 - HB2 LYS 77 lone 1 71 - 1 - Peak 11031 from cnoeabs.peaks (0.88, 1.79, 32.33 ppm; 4.61 A): 4 out of 7 assignments used, quality = 0.87: QG2 VAL 29 + HB2 LYS 19 OK 78 84 - 93 - 9247/3.0=29, ~10926=23...(19) QG2 VAL 107 + HB2 LYS 19 OK 23 77 - 30 - 11460=10, ~10897=6...(8) QG1 VAL 32 + HB2 LYS 19 OK 12 73 - 17 - 10783/1.8=4, 4.0/1205=4...(6) QG2 VAL 117 + HB2 LYS 19 OK 11 65 - 17 - 9198/3.0=4, 10520=3...(6) QD2 LEU 38 - HB2 LYS 19 lone 7 98 - 7 - 9380/7990=2, 10783/1.8=1 QG2 VAL 104 - HB2 LYS 19 lone 6 100 - 6 - 10783/1.8=1 QD2 LEU 90 - HB2 LYS 19 lone 5 100 - 5 - Peak 11032 from cnoeabs.peaks (0.83, 2.70, 41.78 ppm; 3.41 A): 2 out of 27 assignments used, quality = 0.52: QG2 ILE 57 + HE2 LYS 19 OK 31 87 - 35 - 3.0/9558=10, ~9558=6...(13) QG2 ILE 57 + HE3 LYS 19 OK 31 87 - 35 - 3.0/9558=10, ~9558=6...(13) QG2 ILE 5 - HE2 LYS 19 poor 9 84 - 10 - 10913/3.0=2, 10913/3.0=2...(5) QG2 ILE 5 - HE3 LYS 19 poor 9 84 - 10 - 10913/3.0=2, 10913/3.0=2...(5) HG13 ILE 5 - HE3 LYS 19 poor 7 65 - 10 - ~9180=1, 10786/3.0=1...(5) HG13 ILE 5 - HE2 LYS 19 poor 7 65 - 10 - ~9180=1, 10786/3.0=1...(5) QD1 LEU 64 - HE3 LYS 19 lone 5 81 - 6 - 10784/4.0=3, 11520/6.3=1 QD1 LEU 64 - HE2 LYS 19 lone 5 81 - 6 - 10784/4.0=3, 11520/6.3=1 QG2 ILE 15 - HE2 LYS 19 lone 4 61 - 7 - 10913/3.0=2, 10913/3.0=2...(4) QG2 ILE 15 - HE3 LYS 19 lone 4 61 - 7 - 10913/3.0=2, 10913/3.0=2...(4) QD1 LEU 64 - HE2 LYS 61 lone 2 48 - 5 - 9694/6.5=3 QD2 LEU 82 - HE3 LYS 19 lone 1 100 - 1 - QD2 LEU 82 - HE2 LYS 19 lone 1 100 - 1 - QD2 LEU 74 - HE2 LYS 19 lone 1 94 - 1 - QD2 LEU 74 - HE3 LYS 19 lone 1 94 - 1 - QG2 ILE 57 - HE2 LYS 61 lone 1 53 - 1 - QD1 LEU 74 - HE2 LYS 19 lone 1 90 - 1 - QD1 LEU 74 - HE3 LYS 19 lone 1 90 - 1 - QG2 ILE 71 - HE2 LYS 19 lone 1 90 - 1 - QG2 ILE 71 - HE3 LYS 19 lone 1 90 - 1 - QD2 LEU 82 - HE2 LYS 61 lone 1 67 - 1 - QG2 ILE 5 - HE2 LYS 61 lone 0 50 - 1 - QD2 LEU 74 - HE2 LYS 61 lone 0 59 - 1 - QD1 LEU 74 - HE2 LYS 61 lone 0 55 - 1 - QG2 ILE 15 - HE2 LYS 61 lone 0 35 - 1 - QG2 ILE 71 - HE2 LYS 61 lone 0 55 - 0 - HG13 ILE 5 - HE2 LYS 61 lone 0 37 - 1 - Peak 11033 from cnoeabs.peaks (0.71, 2.70, 41.78 ppm; 3.95 A): 4 out of 27 assignments used, quality = 0.94: QD1 ILE 57 + HE2 LYS 19 OK 68 100 - 68 - 9558=22, 9558/1.8=18...(17) QD1 ILE 57 + HE3 LYS 19 OK 68 100 - 68 - 9558=22, 9558/1.8=18...(17) QG2 ILE 18 + HE3 LYS 19 OK 24 90 - 27 - 9191/6.3=9, 3.7/1137=6...(6) QG2 ILE 18 + HE2 LYS 19 OK 24 90 - 27 - 9191/6.3=9, 3.7/1137=6...(6) QD2 LEU 63 - HE2 LYS 19 lone 8 100 - 8 - 4.0/11047=2, 2.1/9678=1, ~9678=1 QD2 LEU 63 - HE3 LYS 19 lone 8 100 - 8 - 4.0/11047=2, 2.1/9678=1, ~9678=1 QG1 VAL 117 - HE3 LYS 19 lone 5 81 - 6 - 10510/5.0=1, 10785/4.0=1 QG1 VAL 117 - HE2 LYS 19 lone 5 81 - 6 - 10510/5.0=1, 10785/4.0=1 QD2 LEU 81 - HE3 LYS 19 lone 4 100 - 4 - 11634/5.0=1 QD2 LEU 81 - HE2 LYS 19 lone 4 100 - 4 - 11634/5.0=1 QG2 ILE 56 - HE3 LYS 19 lone 3 84 - 4 - 4.4/3012=2 QG2 ILE 56 - HE2 LYS 19 lone 3 84 - 4 - 4.4/3012=2 QD1 ILE 57 - HE2 LYS 61 lone 2 68 - 3 - QD1 LEU 6 - HE3 LYS 19 lone 1 96 - 1 - QD1 LEU 6 - HE2 LYS 19 lone 1 96 - 1 - QG2 VAL 78 - HE2 LYS 19 lone 1 65 - 1 - QG2 VAL 78 - HE3 LYS 19 lone 1 65 - 1 - QD2 LEU 63 - HE2 LYS 61 lone 1 68 - 1 - QD2 LEU 45 - HE3 LYS 19 lone 1 65 - 1 - QD2 LEU 45 - HE2 LYS 19 lone 1 65 - 1 - QG2 ILE 18 - HE2 LYS 61 lone 0 55 - 1 - QG2 ILE 56 - HE2 LYS 61 lone 0 50 - 1 - QD2 LEU 81 - HE2 LYS 61 lone 0 68 - 1 - QD1 LEU 6 - HE2 LYS 61 lone 0 61 - 1 - QG1 VAL 117 - HE2 LYS 61 lone 0 48 - 1 - QG2 VAL 78 - HE2 LYS 61 lone 0 37 - 1 - QD2 LEU 45 - HE2 LYS 61 lone 0 37 - 0 - Peak 11035 from cnoeabs.peaks (4.04, 0.96, 25.76 ppm; 4.80 A): 3 out of 13 assignments used, quality = 0.92: HA SER 35 + QD1 LEU 38 OK 83 100 - 83 - 8029/3.1=28, 8031/3.1=21...(12) HA GLU 66 + QD1 LEU 38 OK 39 70 - 57 - 3.6/9699=20...(9) HA GLU 37 + QD1 LEU 38 OK 26 73 - 35 - ~9359=10, 8030/3.1=7...(6) HA GLU 87 - QD1 LEU 38 OK 22 96 - 23 - 10054/2.1=6, ~10056=4...(7) HA GLU 69 - QD1 LEU 38 OK 13 87 - 15 - ~11001=3, 8030/3.1=2...(7) HB3 SER 126 - QD1 LEU 38 OK 12 84 - 14 - 1.8/10644=4, 9377/2.1=2...(7) HA LYS 123 - QD1 LEU 38 poor 8 65 - 12 - 3.0/10998=4, 3.6/10614=2...(5) HA2 GLY 125 - QD1 LEU 38 lone 7 94 - 7 - 4.6/10618=2 HA GLU 92 - QD1 LEU 38 lone 5 90 - 5 - HA3 GLY 125 - QD1 LEU 38 lone 4 57 - 6 - 4.6/10618=2 HA GLU 119 - QD1 LEU 38 lone 3 73 - 4 - HA LYS 44 - QD1 LEU 38 lone 1 65 - 2 - HA GLU 13 - QD1 LEU 38 lone 1 70 - 2 - Peak 11036 from cnoeabs.peaks (2.67, 3.84, 59.87 ppm; 5.23 A): 2 out of 9 assignments used, quality = 0.72: HG2 MET 42 + HA LYS 39 OK 49 65 - 74 - 3.0/8057=29...(11) HB3 ASP 36 + HA LYS 39 OK 46 87 - 53 - ~8039=13, ~2035=12...(6) HB3 ASP 84 - HA LYS 39 lone 8 92 - 8 - 10025/9380=2...(3) HB3 ASP 110 - HA LYS 39 lone 2 97 - 2 - HB2 TYR 27 - HA LYS 39 lone 2 90 - 2 - HB2 TYR 76 - HA LYS 39 lone 1 92 - 2 - HE3 LYS 61 - HA LYS 39 lone 1 100 - 1 - HE2 LYS 61 - HA LYS 39 lone 1 87 - 1 - HB3 ASN 33 - HA LYS 39 lone 1 77 - 1 - Peak 11037 from cnoeabs.peaks (2.75, 3.84, 59.87 ppm; 6.20 A): 2 out of 5 assignments used, quality = 0.82: HG3 MET 42 + HA LYS 39 OK 79 92 - 86 - 3.0/8057=33, 5.0/8056=30...(11) HB3 TYR 102 + HA LYS 39 OK 15 100 - 15 - 11670/9380=5, ~4698=4...(4) HE2 LYS 2 - HA LYS 39 lone 4 97 - 4 - HB3 ASN 11 - HA LYS 39 lone 3 97 - 3 - HB2 ASP 60 - HA LYS 39 lone 2 73 - 3 - Peak 11038 from cnoeabs.peaks (0.89, 1.46, 25.42 ppm; 4.84 A): 4 out of 8 assignments used, quality = 0.72: QD2 LEU 38 + HG2 LYS 39 OK 55 99 - 55 - 9380/3.8=30, 4.8/3588=16...(6) QG1 VAL 32 + HG2 LYS 39 OK 21 65 - 32 - 2.1/11039=14, 9279/4.9=7...(7) QD2 LEU 90 + HG2 LYS 39 OK 12 100 - 12 - 9390/3.8=3, 216/4.9=2 QG2 VAL 104 + HG2 LYS 39 OK 11 100 - 11 - 9390/3.8=3...(4) QG2 VAL 107 - HG2 LYS 39 lone 6 70 - 8 - 2.1/11039=3, 4.0/680=2 QG2 VAL 29 - HG2 LYS 39 lone 5 90 - 6 - 9390/3.8=1, ~10612=1 QD1 LEU 90 - HG2 LYS 39 lone 4 65 - 6 - 216/4.9=1 QD2 LEU 70 - HG2 LYS 39 lone 1 65 - 2 - Peak 11039 from cnoeabs.peaks (0.77, 1.46, 25.42 ppm; 4.27 A): 0 out of 11 assignments used, low quality = 0.17: QG2 VAL 32 - HG2 LYS 39 OK 17 92 - 19 - 9281/4.9=7, 2.1/11038=5...(5) QD1 LEU 80 - HG2 LYS 39 lone 8 100 - 8 - 5.0/11387=1 QD2 LEU 80 - HG2 LYS 39 lone 7 100 - 7 - 5.0/11387=1 QD1 LEU 81 - HG2 LYS 39 lone 6 73 - 8 - 2.1/11389=2, 3.1/11623=1...(4) QG1 VAL 107 - HG2 LYS 39 lone 4 92 - 4 - 2.1/11038=1, 4.0/680=1 QD1 ILE 7 - HG2 LYS 39 lone 3 98 - 3 - QD1 LEU 82 - HG2 LYS 39 lone 3 99 - 3 - QD2 LEU 64 - HG2 LYS 39 lone 2 92 - 2 - QD1 LEU 45 - HG2 LYS 39 lone 1 61 - 2 - QD1 ILE 15 - HG2 LYS 39 lone 1 94 - 1 - QD2 LEU 14 - HG2 LYS 39 lone 1 92 - 1 - Peak 11042 from cnoeabs.peaks (2.84, 1.44, 45.31 ppm; 6.20 A): 2 out of 10 assignments used, quality = 1.00: HB3 TYR 76 + HB2 LEU 4 OK 97 99 - 98 - ~9037=37, ~9039=34...(19) HB3 TYR 76 + HB3 LEU 4 OK 97 99 - 98 - ~9037=37, ~9039=34...(19) HE2 LYS 17 - HB3 LEU 4 OK 26 99 - 26 - 9045/3.1=5, ~10919=4...(9) HE2 LYS 17 - HB2 LEU 4 OK 26 99 - 26 - 9045/3.1=5, ~10919=4...(9) HB2 ASP 36 - HB2 LEU 4 lone 5 100 - 5 - 9861/11528=2 HB2 ASP 36 - HB3 LEU 4 lone 5 100 - 5 - 9861/11528=2 HB2 ASN 88 - HB2 LEU 4 lone 3 98 - 4 - HB2 ASN 88 - HB3 LEU 4 lone 3 98 - 4 - HE2 LYS 77 - HB2 LEU 4 lone 2 61 - 3 - HE2 LYS 77 - HB3 LEU 4 lone 2 61 - 3 - Peak 11043 from cnoeabs.peaks (3.83, 2.76, 32.47 ppm; 6.20 A): 3 out of 4 assignments used, quality = 0.94: HA LYS 39 + HG3 MET 42 OK 85 97 - 88 - 11037=33, 8057/3.0=32...(11) HA LYS 16 + HG3 MET 42 OK 38 94 - 41 - 11044/1.8=10, 8060/3.0=9...(6) HA2 GLY 75 + HG3 MET 42 OK 35 100 - 35 - 11044/1.8=10, 9425/3.3=8...(6) HA2 GLY 26 - HG3 MET 42 lone 2 61 - 3 - Peak 11044 from cnoeabs.peaks (3.83, 2.66, 32.47 ppm; 6.20 A): 3 out of 4 assignments used, quality = 0.93: HA LYS 39 + HG2 MET 42 OK 81 96 - 85 - 8057/3.0=31...(11) HA LYS 16 + HG2 MET 42 OK 37 92 - 41 - 11043/1.8=10, 2050/5.0=9...(6) HA2 GLY 75 + HG2 MET 42 OK 36 100 - 36 - 11043/1.8=9, 9425/3.3=8...(7) HA2 GLY 26 - HG2 MET 42 lone 2 65 - 3 - Peak 11045 from cnoeabs.peaks (2.18, 4.13, 56.64 ppm; 4.31 A): 5 out of 9 assignments used, quality = 0.95: HG3 GLU 66 + HA LEU 63 OK 65 99 - 66 - 3.0/8113=21, 4.9/8110=19...(10) HB2 GLN 62 + HA LEU 63 OK 49 77 - 64 - ~377=15, 378/2.9=12...(12) HB3 GLN 62 + HA LEU 63 OK 49 77 - 64 - ~377=15, 378/2.9=12...(12) HB2 GLN 85 + HA LEU 63 OK 25 94 - 26 - 1.8/8111=6, 3.0/11046=3...(10) HB3 GLU 37 + HA LEU 63 OK 18 97 - 19 - 9366/4.0=5, ~9676=3...(7) HB2 MET 42 - HA LEU 63 lone 8 94 - 8 - 9385/11527=3...(3) HB2 GLU 98 - HA LEU 63 lone 6 100 - 6 - HB2 GLU 69 - HA LEU 63 lone 5 61 - 9 - 1.8/8113=4, 1437/8110=2 HB3 MET 1 - HA LEU 63 lone 2 73 - 3 - Peak 11046 from cnoeabs.peaks (2.40, 4.13, 56.64 ppm; 4.66 A): 4 out of 9 assignments used, quality = 0.97: HG3 GLN 62 + HA LEU 63 OK 61 94 - 65 - 7609/2.9=10, ~379=9...(14) HG2 GLN 62 + HA LEU 63 OK 60 92 - 65 - 7609/2.9=10, ~379=9...(14) HG2 GLU 66 + HA LEU 63 OK 60 87 - 69 - 3.0/8113=23, 4.9/8110=23...(10) HG3 MET 67 + HA LEU 63 OK 52 96 - 54 - ~9675=8, 9719/4.0=8...(14) HG3 GLN 85 - HA LEU 63 OK 38 100 - 38 - 3.0/8111=5, 7609/2.9=4...(14) HG2 GLN 85 - HA LEU 63 OK 38 99 - 38 - 3.0/8111=5, 7609/2.9=4...(14) HG2 GLN 122 - HA LEU 63 lone 5 100 - 5 - HB2 ASP 110 - HA LEU 63 lone 4 84 - 4 - 1.8/11047=2 HG2 GLU 91 - HA LEU 63 lone 3 81 - 4 - 11663/3.0=2 Peak 11047 from cnoeabs.peaks (2.70, 4.13, 56.64 ppm; 5.42 A): 0 out of 7 assignments used, low quality = 0.32: HB2 ASN 50 - HA LEU 63 OK 18 94 - 19 - ~9673=4, 9678/3.7=4...(7) HB3 ASN 50 - HA LEU 63 OK 17 92 - 19 - 9678/3.7=4, ~9673=4...(7) HE2 LYS 19 - HA LEU 63 lone 6 100 - 6 - 9678/3.7=1, 11033/4.0=1, ~9673=1 HE3 LYS 19 - HA LEU 63 lone 6 100 - 6 - 9678/3.7=1, 11033/4.0=1, ~9673=1 HB3 ASP 110 - HA LEU 63 lone 3 73 - 4 - HE2 LYS 61 - HA LEU 63 lone 1 90 - 1 - HB3 ASN 33 - HA LEU 63 lone 1 96 - 1 - Peak 11048 from cnoeabs.peaks (4.04, 0.71, 22.93 ppm; 3.69 A): 2 out of 13 assignments used, quality = 0.57: HA SER 35 + QD2 LEU 63 OK 47 94 - 50 - 9338=19, 3.0/10797=8...(14) HA GLU 66 + QD2 LEU 63 OK 19 90 - 21 - 2.9/10958=4, 11049/2.1=4...(6) HA GLU 69 - QD2 LEU 63 lone 6 65 - 10 - 2.9/7614=3, ~276=1, ~7615=1 HA GLU 119 - QD2 LEU 63 lone 6 92 - 6 - 3.0/10544=1, 11049/2.1=1 HA GLU 92 - QD2 LEU 63 lone 5 99 - 5 - ~10909=1 HA GLU 87 - QD2 LEU 63 lone 3 100 - 3 - HA GLU 13 - QD2 LEU 63 lone 3 90 - 3 - ~10909=1 HA LYS 40 - QD2 LEU 63 lone 2 77 - 3 - HA LYS 123 - QD2 LEU 63 lone 2 87 - 2 - HB3 SER 126 - QD2 LEU 63 lone 2 97 - 2 - HA PHE 120 - QD2 LEU 63 lone 2 77 - 2 - HB2 SER 126 - QD2 LEU 63 lone 1 81 - 2 - HA2 GLY 125 - QD2 LEU 63 lone 1 77 - 1 - Peak 11049 from cnoeabs.peaks (4.04, 0.74, 25.21 ppm; 4.50 A): 4 out of 39 assignments used, quality = 0.75: HA SER 35 + QD1 LEU 63 OK 48 90 - 54 - 11048/2.1=21...(11) HA GLU 66 + QD1 LEU 63 OK 31 94 - 33 - 11048/2.1=9, 3.6/9701=8...(8) HA SER 35 + QD2 LEU 6 OK 19 69 - 27 - 9338/2.1=7, 2.9/11264=5...(7) HA GLU 66 + QD2 LEU 6 OK 14 74 - 19 - 3.6/9701=7, ~11564=5...(5) HA PHE 120 - QD2 LEU 6 poor 9 64 - 15 - 3.6/10589=5, 10557/2.1=3...(6) HA GLU 119 - QD1 LEU 63 lone 9 96 - 9 - 11048/2.1=3, ~10544=1 HA GLU 92 - QD1 LEU 63 lone 8 100 - 8 - 3.0/10909=3, 11048/2.1=2 HA LYS 40 - QD1 LEU 63 lone 7 84 - 8 - 3.6/9394=4, 11048/2.1=1 HA GLU 69 - QD1 LEU 63 poor 7 57 - 12 - 11048/2.1=3, ~7614=3...(5) HA GLU 13 - QD1 LEU 63 lone 5 94 - 5 - 3.0/10909=3, 11048/2.1=1 HA PHE 120 - QD1 LEU 63 lone 4 84 - 5 - 3.6/10589=2 HA GLU 87 - QD1 LEU 63 lone 4 100 - 3 - 11048/2.1=1 HA LYS 123 - QD2 LEU 6 lone 3 72 - 4 - ~11560=2 HA LYS 123 - QD1 LEU 63 lone 3 92 - 3 - HB3 SER 126 - QD1 LEU 63 lone 3 99 - 3 - HA GLU 69 - QD2 LEU 6 lone 2 41 - 6 - ~277=3, 2.9/7615=2 HA GLU 13 - QD2 LEU 6 lone 2 74 - 3 - 3.0/10909=2 HA LYS 40 - QD1 LEU 45 lone 2 25 - 9 - 3.6/9394=6, 8062/9414=1 HB2 SER 126 - QD1 LEU 63 lone 2 87 - 2 - HA GLU 92 - QD2 LEU 6 lone 2 83 - 3 - HA GLU 119 - QD2 LEU 6 lone 2 76 - 3 - 3.6/10552=1 HA SER 35 - QD1 LEU 45 lone 2 28 - 7 - 9338/2.1=1, ~9334=1 HA GLU 87 - QD2 LEU 6 lone 2 84 - 2 - HA GLU 66 - QD1 LEU 45 lone 2 30 - 5 - 8199/4.7=1 HA LYS 40 - QD2 LEU 6 lone 2 64 - 2 - 3.6/9394=1 HA GLU 92 - QD1 LEU 45 lone 1 35 - 4 - 8199/4.7=1 HA LYS 123 - QD1 LEU 45 lone 1 29 - 5 - 8199/4.7=2 HA GLU 119 - QD1 LEU 45 lone 1 31 - 4 - HA GLU 69 - QD1 LEU 45 lone 1 16 - 8 - ~7524=2, 2.9/276=2, ~277=1 HA GLU 13 - QD1 LEU 45 lone 1 30 - 3 - HA PHE 120 - QD1 LEU 45 lone 1 25 - 4 - 3.6/10589=1 HA2 GLY 125 - QD1 LEU 63 lone 1 70 - 1 - HB3 SER 126 - QD2 LEU 6 lone 1 81 - 1 - HB2 SER 126 - QD2 LEU 6 lone 1 67 - 1 - HB3 SER 126 - QD1 LEU 45 lone 0 34 - 1 - HA GLU 87 - QD1 LEU 45 lone 0 36 - 1 - HA2 GLY 125 - QD2 LEU 6 lone 0 51 - 1 - HB2 SER 126 - QD1 LEU 45 lone 0 27 - 1 - HA2 GLY 125 - QD1 LEU 45 lone 0 20 - 1 - Peak 11050 from cnoeabs.peaks (0.51, 1.79, 41.35 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.97: QD1 LEU 68 + HB2 LEU 64 OK 97 100 - 97 - 11051/1.8=42...(17) Peak 11051 from cnoeabs.peaks (0.51, 1.63, 41.35 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.97: QD1 LEU 68 + HB3 LEU 64 OK 97 100 - 97 - 11050/1.8=42, ~11269=32...(17) Peak 11052 from cnoeabs.peaks (0.37, 1.79, 41.35 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.92: QD2 LEU 68 + HB2 LEU 64 OK 85 87 - 97 - 2.1/11050=41...(19) QD1 ILE 97 + HB2 LEU 64 OK 49 94 - 52 - 11270/3.1=17...(11) Peak 11053 from cnoeabs.peaks (0.50, 3.91, 57.78 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.93: QD1 LEU 68 + HA LEU 64 OK 92 99 - 92 - 11050/3.0=36...(17) QD1 LEU 68 + HA GLU 128 OK 18 87 - 20 - 4.8/8122=9, 2.1/9754=6...(4) Peak 11054 from cnoeabs.peaks (7.10, 3.79, 60.23 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.76: QE PHE 79 + HA LYS 65 OK 58 100 - 58 - 11376/3.9=28...(10) HZ PHE 93 + HA LYS 65 OK 45 84 - 53 - 11668/3.0=19...(9) Peak 11055 from cnoeabs.peaks (7.10, 1.93, 32.27 ppm; 4.37 A): 5 out of 16 assignments used, quality = 0.94: QE PHE 79 + HB2 LYS 123 OK 59 99 - 59 - 11210/3.8=22...(8) QE PHE 79 + HB2 LYS 65 OK 47 99 - 48 - 11376/2.9=19...(9) QE PHE 79 + HB3 LYS 65 OK 47 99 - 48 - 11376/2.9=19...(9) HZ PHE 93 + HB3 LYS 65 OK 30 65 - 46 - 2.2/4672=8, 4683/2.9=8...(9) HZ PHE 93 + HB2 LYS 65 OK 30 65 - 46 - 2.2/4672=8, 4683/2.9=8...(9) QE PHE 79 - HB3 LYS 115 OK 16 97 - 16 - 11376/3.0=4, 4651=2...(6) QE PHE 79 - HB2 LYS 115 OK 15 92 - 16 - 11376/3.0=4, 4651=2...(6) QE PHE 79 - HB2 LYS 39 OK 10 77 - 13 - ~4663=3, ~4644=2, 4651=2...(5) HZ PHE 93 - HB3 LYS 115 lone 6 61 - 9 - 10463/3.0=3, 2.2/4672=2, ~4672=1 HZ PHE 93 - HB2 LYS 115 lone 5 57 - 9 - 10463/3.0=3, 2.2/4672=2...(4) HZ PHE 93 - HB2 LYS 123 lone 4 64 - 6 - 11210/3.8=2, 11207/3.8=2 QE PHE 79 - HB3 LYS 39 lone 3 37 - 8 - 4651/1.8=2 QE PHE 79 - HB3 LYS 40 lone 3 62 - 4 - 4656/2.7=1 HZ PHE 93 - HB2 LYS 39 lone 1 44 - 2 - HZ PHE 93 - HB3 LYS 40 lone 0 35 - 1 - HZ PHE 93 - HB3 LYS 39 lone 0 20 - 2 - Peak 11056 from cnoeabs.peaks (6.98, 1.93, 32.27 ppm; 5.16 A): 6 out of 16 assignments used, quality = 0.88: HZ PHE 79 + HB3 LYS 65 OK 42 84 - 50 - ~11376=19, ~11054=11...(7) HZ PHE 79 + HB2 LYS 65 OK 42 84 - 50 - ~11376=19, ~11054=11...(7) HZ PHE 79 + HB2 LYS 123 OK 40 83 - 48 - 11211/3.8=17...(6) QD TYR 102 + HB2 LYS 123 OK 21 96 - 22 - 11211/3.8=5, 11208/3.8=4...(7) HZ PHE 79 + HB3 LYS 115 OK 14 79 - 18 - ~11376=4, ~10463=4...(6) HZ PHE 79 + HB2 LYS 115 OK 13 74 - 18 - ~11376=4, ~10463=4...(6) QD TYR 102 - HB2 LYS 39 poor 7 73 - 10 - 4698/4.0=3, ~11037=3 HZ PHE 79 - HB2 LYS 39 poor 6 59 - 11 - 4663/1.8=4, 2.2/4651=2, ~9914=1 QD TYR 102 - HB3 LYS 115 lone 6 93 - 6 - 10152/10115=2 QD TYR 102 - HB2 LYS 115 lone 5 89 - 6 - 10152/10115=2 QD TYR 102 - HB2 LYS 65 lone 4 97 - 4 - QD TYR 102 - HB3 LYS 65 lone 4 97 - 4 - QD TYR 102 - HB3 LYS 39 lone 3 35 - 9 - 4698/4.0=3, ~11037=3 HZ PHE 79 - HB3 LYS 39 lone 2 27 - 8 - ~4651=1, ~11055=1...(4) HZ PHE 79 - HB3 LYS 40 lone 2 47 - 4 - ~4656=1 QD TYR 102 - HB3 LYS 40 lone 1 59 - 2 - Peak 11057 from cnoeabs.peaks (6.79, 1.93, 32.27 ppm; 6.03 A): 4 out of 16 assignments used, quality = 0.75: QD PHE 120 + HB2 LYS 123 OK 59 99 - 60 - 11209/3.8=22...(10) QD TYR 27 + HB2 LYS 123 OK 16 100 - 16 - 11209/3.8=6, 11212/3.8=4...(5) QD PHE 120 + HB2 LYS 65 OK 15 99 - 15 - 3.7/8297=2, ~4727=2...(6) QD PHE 120 + HB3 LYS 65 OK 15 99 - 15 - 3.7/8297=2, ~4727=2...(6) QD TYR 27 - HB2 LYS 65 lone 9 100 - 9 - 2.2/4590=2, ~4590=2...(4) QD TYR 27 - HB3 LYS 65 lone 9 100 - 9 - 2.2/4590=2, ~4590=2...(4) QD PHE 120 - HB3 LYS 115 lone 8 97 - 8 - 10530/10523=1...(3) QD PHE 120 - HB2 LYS 115 lone 8 92 - 8 - 10530/10523=2, 3.7/8297=1 QD TYR 27 - HB3 LYS 115 lone 6 98 - 6 - 2.2/4590=1, ~4590=1 QD TYR 27 - HB2 LYS 115 lone 6 94 - 6 - 2.2/4590=1, ~4590=1 QD PHE 120 - HB2 LYS 39 lone 4 77 - 6 - 11209/7129=1, 3.7/8297=1 QD TYR 27 - HB2 LYS 39 lone 4 78 - 5 - QD TYR 27 - HB3 LYS 40 lone 3 64 - 5 - 10838/1.8=1 QD PHE 120 - HB3 LYS 40 lone 3 62 - 5 - QD TYR 27 - HB3 LYS 39 lone 2 38 - 5 - QD PHE 120 - HB3 LYS 39 lone 2 37 - 5 - Peak 11059 from cnoeabs.peaks (6.79, 2.04, 29.26 ppm; 5.32 A): 0 out of 12 assignments used, low quality = 0.26: QD TYR 27 - HB2 GLU 89 OK 14 99 - 14 - 2.2/4589=6, ~4589=5, 4577/3.0=2 QD TYR 27 - HB3 GLU 89 OK 14 99 - 14 - 2.2/4589=6, ~4589=5, 4577/3.0=2 QD PHE 120 - HB2 GLU 66 lone 10 100 - 10 - 10572/1.8=3, 4558/3.0=2 QD TYR 27 - HB2 GLU 66 lone 6 99 - 6 - 2.2/4589=2 QD PHE 120 - HB2 GLU 89 lone 5 100 - 5 - QD PHE 120 - HB3 GLU 89 lone 5 100 - 5 - QD TYR 27 - HB3 GLU 98 lone 3 52 - 6 - 2.2/4589=2 QD TYR 27 - HB3 GLN 85 lone 3 98 - 3 - 2.2/4589=1 QD PHE 120 - HB3 GLN 100 lone 3 89 - 3 - QD TYR 27 - HB3 GLN 100 lone 3 87 - 3 - 2.2/4589=1 QD PHE 120 - HB3 GLN 85 lone 2 99 - 2 - QD PHE 120 - HB3 GLU 98 lone 1 53 - 2 - Peak 11060 from cnoeabs.peaks (0.88, 2.04, 29.26 ppm; 3.39 A): 8 out of 54 assignments used, quality = 0.88: QD2 LEU 38 + HB2 GLU 66 OK 48 99 - 48 - 11067/3.0=13...(11) QG2 VAL 104 + HB3 GLU 98 OK 30 54 - 55 - 10161/2.9=15...(9) QG2 VAL 104 + HB3 GLN 85 OK 25 99 - 25 - 11404/1.8=5, 11510/4.6=5...(8) QD2 LEU 90 + HB2 GLU 66 OK 23 100 - 23 - 11067/3.0=5, 11064/3.0=4...(6) QD2 LEU 38 + HB3 GLN 85 OK 17 97 - 17 - 11404/1.8=4, 10029/4.0=3...(9) QD2 LEU 90 + HB2 GLU 89 OK 13 100 - 13 - 1596/4.7=10, 4.6/7820=2 QD2 LEU 90 + HB3 GLU 89 OK 13 100 - 13 - 1596/4.7=10, 4.6/7820=2 QD2 LEU 90 + HB3 GLN 85 OK 11 99 - 12 - 10029/4.0=5, 11404/1.8=2 QG1 VAL 32 - HB2 GLU 66 poor 9 70 - 13 - 11064/3.0=3, 11067/3.0=3...(6) QG2 VAL 107 - HB2 GLU 66 poor 9 73 - 12 - 11064/3.0=2, 11067/3.0=2...(5) QG2 VAL 104 - HB2 GLU 66 lone 8 100 - 8 - 11064/3.0=2, 11067/3.0=2...(4) QD1 LEU 90 - HB2 GLU 66 poor 8 61 - 13 - ~11067=2, ~11062=2...(4) QD1 LEU 90 - HB3 GLU 89 poor 7 61 - 11 - 1595/4.7=7, 11577/4.0=2 QD1 LEU 90 - HB2 GLU 89 poor 7 61 - 11 - 1595/4.7=7, 11577/4.0=2 QG2 VAL 104 - HB3 GLN 100 lone 4 89 - 5 - ~10233=1, ~10232=1 QG2 VAL 107 - HB3 GLN 85 lone 4 71 - 6 - 10029/4.0=2 QD2 LEU 38 - HB3 GLU 98 lone 4 51 - 8 - 11404/1.8=2, 10161/2.9=2 QG2 VAL 117 - HB2 GLU 66 lone 4 61 - 6 - 9696/3.7=1 QD2 LEU 38 - HB2 GLU 89 lone 4 99 - 4 - QD2 LEU 38 - HB3 GLU 89 lone 4 99 - 4 - QD2 LEU 70 - HB2 GLU 66 lone 3 61 - 5 - 9700/4.1=3 QG2 VAL 107 - HB3 GLU 89 lone 3 73 - 4 - 1596/4.7=1 QG2 VAL 107 - HB2 GLU 89 lone 3 73 - 4 - 1596/4.7=1 QG1 VAL 32 - HB3 GLU 98 lone 3 31 - 9 - ~9291=2, 9298/3.0=2, ~9301=1 QD1 LEU 90 - HB3 GLN 85 lone 3 59 - 4 - ~11404=1 QD2 LEU 90 - HB3 GLU 98 lone 2 53 - 4 - 10161/2.9=1 QG1 VAL 32 - HB3 GLN 85 lone 2 67 - 3 - QG2 VAL 104 - HB2 GLU 89 lone 2 100 - 2 - QG2 VAL 104 - HB3 GLU 89 lone 2 100 - 2 - QG2 VAL 29 - HB2 GLU 66 lone 2 87 - 2 - QD2 LEU 38 - HB3 GLN 100 lone 2 86 - 2 - QG2 VAL 29 - HB3 GLN 85 lone 2 84 - 2 - QG1 VAL 32 - HB3 GLU 89 lone 1 69 - 2 - QG1 VAL 32 - HB2 GLU 89 lone 1 69 - 2 - QG2 VAL 107 - HB3 GLU 98 lone 1 33 - 4 - 10296/4.3=2 QD2 LEU 70 - HB3 GLN 100 lone 1 49 - 2 - QD1 LEU 90 - HB3 GLU 98 lone 1 26 - 3 - QG1 VAL 32 - HB3 GLN 100 lone 1 56 - 2 - QG2 VAL 117 - HB3 GLN 85 lone 1 59 - 1 - QG2 VAL 117 - HB2 GLU 89 lone 1 61 - 1 - QG2 VAL 117 - HB3 GLU 89 lone 1 61 - 1 - QD2 LEU 90 - HB3 GLN 100 lone 1 89 - 1 - QG2 VAL 107 - HB3 GLN 100 lone 1 59 - 1 - QD2 LEU 70 - HB2 GLU 89 lone 1 61 - 1 - QD2 LEU 70 - HB3 GLU 89 lone 1 61 - 1 - QD2 LEU 70 - HB3 GLN 85 lone 1 59 - 1 - QG2 VAL 29 - HB3 GLU 98 lone 1 41 - 1 - QG2 VAL 29 - HB3 GLU 89 lone 0 87 - 1 - QG2 VAL 29 - HB2 GLU 89 lone 0 87 - 1 - QG2 VAL 117 - HB3 GLN 100 lone 0 49 - 1 - QG2 VAL 29 - HB3 GLN 100 lone 0 72 - 1 - QD1 LEU 90 - HB3 GLN 100 lone 0 49 - 1 - QD2 LEU 70 - HB3 GLU 98 lone 0 26 - 1 - QG2 VAL 117 - HB3 GLU 98 lone 0 26 - 1 - Peak 11062 from cnoeabs.peaks (0.88, 2.09, 29.26 ppm; 3.39 A): 5 out of 32 assignments used, quality = 0.75: QD2 LEU 38 + HB3 GLU 66 OK 45 97 - 47 - 11067/3.0=13...(11) QD2 LEU 90 + HB3 GLU 66 OK 22 100 - 22 - 11067/3.0=5, 11064/3.0=4...(6) QG2 VAL 107 + HB2 GLU 112 OK 20 61 - 32 - 10399/4.0=5, 11021/3.0=5...(9) QG2 VAL 107 + HB3 GLU 112 OK 19 58 - 32 - 10399/4.0=5, 11021/3.0=5...(9) QG1 VAL 32 + HB3 GLU 66 OK 10 77 - 13 - 11064/3.0=3, 11067/3.0=3...(6) QG2 VAL 107 - HB3 GLU 66 poor 10 81 - 12 - 11064/3.0=2, 11067/3.0=2...(6) QD2 LEU 38 - HB3 GLU 69 lone 8 87 - 10 - 11001/4.0=2, 10996/2.9=1 QG2 VAL 117 - HB2 GLU 112 poor 8 52 - 15 - 6841/4.6=4, 10399/4.0=3...(6) QG2 VAL 104 - HB3 GLU 66 lone 8 100 - 7 - 11064/3.0=2, 11067/3.0=2 QG2 VAL 117 - HB3 GLU 112 poor 7 49 - 15 - 6841/4.6=4, 10399/4.0=3...(6) QG1 VAL 32 - HB3 GLU 69 lone 4 66 - 7 - 2.1/11063=1, 9298/3.0=1 QG2 VAL 117 - HB3 GLU 66 lone 4 70 - 6 - 9696/3.7=1 QD2 LEU 90 - HB2 GLU 112 lone 3 84 - 3 - QD2 LEU 90 - HB3 GLU 112 lone 3 80 - 3 - QD2 LEU 90 - HB3 GLU 69 lone 2 92 - 3 - QG1 VAL 32 - HB2 GLU 112 lone 2 58 - 4 - 10399/4.0=1 QG1 VAL 32 - HB3 GLU 112 lone 2 55 - 4 - 10399/4.0=1 QG2 VAL 29 - HB3 GLU 66 lone 2 81 - 2 - QG2 VAL 104 - HB2 GLU 112 lone 2 84 - 2 - QG2 VAL 104 - HB3 GLU 112 lone 1 80 - 2 - QD2 LEU 38 - HB2 GLU 112 lone 1 78 - 2 - QD2 LEU 38 - HB3 GLU 112 lone 1 74 - 2 - QG2 VAL 107 - HB3 GLU 69 lone 1 69 - 2 - QG2 THR 9 - HB2 GLU 112 lone 1 45 - 3 - 9125/4.0=1 QG2 VAL 104 - HB3 GLU 69 lone 1 92 - 1 - QG2 THR 9 - HB3 GLU 112 lone 1 42 - 2 - 9125/4.0=1 QG2 THR 9 - HB3 GLU 66 lone 1 61 - 1 - QG2 VAL 117 - HB3 GLU 69 lone 1 59 - 1 - QG2 VAL 29 - HB3 GLU 69 lone 0 69 - 1 - QG2 THR 9 - HB3 GLU 69 lone 0 52 - 1 - QG2 VAL 29 - HB2 GLU 112 lone 0 61 - 0 - QG2 VAL 29 - HB3 GLU 112 lone 0 58 - 0 - Peak 11063 from cnoeabs.peaks (0.77, 2.09, 29.26 ppm; 4.05 A): 6 out of 40 assignments used, quality = 0.79: QG1 VAL 107 + HB2 GLU 112 OK 38 83 - 45 - 11020/3.0=9, 11020/3.0=9...(11) QG1 VAL 107 + HB3 GLU 112 OK 36 79 - 45 - 11020/3.0=9, 11020/3.0=9...(11) QG2 VAL 32 + HB3 GLU 66 OK 17 100 - 17 - 11065/3.0=6, 9281/3.7=3...(5) QD2 LEU 14 + HB2 GLU 112 OK 16 83 - 19 - 7358/4.0=6, 11008/3.0=4...(5) QD2 LEU 14 + HB3 GLU 112 OK 15 79 - 19 - 7358/4.0=6, 11008/3.0=4...(5) QG1 VAL 107 + HB3 GLU 66 OK 12 100 - 12 - 11065/3.0=4, 2.1/11062=2...(4) QG2 VAL 32 - HB3 GLU 69 poor 10 91 - 11 - 9301/3.0=2, 9304/3.0=2...(5) QD1 ILE 15 - HB2 GLU 112 lone 6 84 - 7 - 2713/4.0=4 QD2 LEU 64 - HB3 GLU 66 lone 6 70 - 8 - 11065/3.0=3, 4.7/5009=2 QD1 ILE 15 - HB3 GLU 112 lone 6 80 - 7 - 2713/4.0=4 QD2 LEU 64 - HB2 GLU 112 lone 5 52 - 9 - 10400/4.0=2, ~11463=1 QD1 LEU 80 - HB3 GLU 66 lone 4 94 - 5 - 11065/3.0=2, ~11065=1 QD2 LEU 64 - HB3 GLU 112 lone 5 49 - 9 - 10400/4.0=2, ~11463=1 QD2 LEU 80 - HB3 GLU 66 lone 4 92 - 5 - 11065/3.0=2, ~11065=1 QD2 LEU 64 - HB3 GLU 69 lone 4 59 - 7 - 4786/4.0=3, 11393/3.0=1 QD1 ILE 7 - HB3 GLU 66 lone 4 100 - 4 - 11065/3.0=1 QG2 VAL 32 - HB2 GLU 112 lone 4 83 - 4 - QG2 VAL 32 - HB3 GLU 112 lone 3 79 - 4 - QD1 LEU 45 - HB3 GLU 66 lone 3 87 - 4 - QD1 ILE 7 - HB2 GLU 112 lone 3 84 - 3 - QD1 ILE 7 - HB3 GLU 112 lone 2 80 - 3 - QD1 LEU 45 - HB3 GLU 69 lone 2 75 - 3 - 7523/4.0=2 QD1 LEU 80 - HB2 GLU 112 lone 2 75 - 2 - QD2 LEU 80 - HB2 GLU 112 lone 2 72 - 2 - QG1 VAL 107 - HB3 GLU 69 lone 2 91 - 2 - QD1 LEU 80 - HB3 GLU 112 lone 2 71 - 2 - QD2 LEU 80 - HB3 GLU 112 lone 2 68 - 2 - QD1 ILE 15 - HB3 GLU 66 lone 2 100 - 2 - QD2 LEU 14 - HB3 GLU 66 lone 1 100 - 1 - QD1 LEU 82 - HB2 GLU 112 lone 1 67 - 2 - QD1 LEU 82 - HB3 GLU 66 lone 1 87 - 1 - QD1 LEU 82 - HB3 GLU 112 lone 1 63 - 2 - QD1 ILE 7 - HB3 GLU 69 lone 1 92 - 1 - QD2 LEU 14 - HB3 GLU 69 lone 1 91 - 1 - QD1 LEU 80 - HB3 GLU 69 lone 1 83 - 1 - QD2 LEU 80 - HB3 GLU 69 lone 1 81 - 1 - QD1 ILE 15 - HB3 GLU 69 lone 1 92 - 1 - QD1 LEU 82 - HB3 GLU 69 lone 1 75 - 1 - QD1 LEU 45 - HB2 GLU 112 lone 1 67 - 1 - QD1 LEU 45 - HB3 GLU 112 lone 0 63 - 1 - Peak 11064 from cnoeabs.peaks (0.88, 2.39, 36.01 ppm; 3.60 A): 4 out of 8 assignments used, quality = 0.69: QD2 LEU 38 + HG2 GLU 66 OK 51 97 - 53 - 11067/1.8=20, 9384=9...(10) QD2 LEU 90 + HG2 GLU 66 OK 20 100 - 20 - 11067/1.8=7, 11062/3.0=3...(5) QG1 VAL 32 + HG2 GLU 66 OK 12 77 - 15 - 2.1/11065=6, 11067/1.8=4...(5) QG2 VAL 107 + HG2 GLU 66 OK 11 81 - 13 - 2.1/11065=4, 11067/1.8=3...(4) QG2 VAL 104 - HG2 GLU 66 lone 8 100 - 8 - 11067/1.8=3, 11062/3.0=1 QG2 VAL 117 - HG2 GLU 66 lone 4 70 - 5 - 11067/1.8=1 QG2 VAL 29 - HG2 GLU 66 lone 2 81 - 2 - QG2 THR 9 - HG2 GLU 66 lone 1 61 - 1 - Peak 11065 from cnoeabs.peaks (0.77, 2.39, 36.01 ppm; 4.33 A): 0 out of 11 assignments used, low quality = 0.34: QG2 VAL 32 - HG2 GLU 66 OK 14 92 - 16 - 2.1/11064=5, ~11067=3...(5) QD1 LEU 81 - HG2 GLU 66 OK 14 73 - 20 - 2.1/11066=14...(4) QG1 VAL 107 - HG2 GLU 66 OK 10 92 - 11 - 2.1/11064=4, ~11067=3...(4) QD2 LEU 64 - HG2 GLU 66 lone 6 92 - 7 - 3.8/10962=4 QD1 LEU 80 - HG2 GLU 66 lone 5 100 - 5 - 11092/11064=1 QD2 LEU 80 - HG2 GLU 66 lone 4 100 - 4 - QD1 ILE 7 - HG2 GLU 66 lone 3 98 - 3 - QD1 LEU 45 - HG2 GLU 66 lone 2 61 - 3 - ~11068=1 QD1 LEU 82 - HG2 GLU 66 lone 1 99 - 1 - QD1 ILE 15 - HG2 GLU 66 lone 1 94 - 1 - QD2 LEU 14 - HG2 GLU 66 lone 1 92 - 1 - Peak 11066 from cnoeabs.peaks (0.69, 2.39, 36.01 ppm; 4.22 A): 0 out of 8 assignments used, low quality = 0.00: QD2 LEU 81 - HG2 GLU 66 poor 8 65 - 12 - 2.1/11065=8, ~11607=2 QD1 ILE 116 - HG2 GLU 66 lone 5 96 - 5 - 10498/3.0=2 QG2 ILE 97 - HG2 GLU 66 lone 4 98 - 4 - 4.1/1656=2 QG2 ILE 56 - HG2 GLU 66 lone 1 98 - 2 - QD2 LEU 114 - HG2 GLU 66 lone 1 65 - 2 - QD1 LEU 55 - HG2 GLU 66 lone 1 99 - 1 - QD2 LEU 4 - HG2 GLU 66 lone 1 92 - 1 - QD1 ILE 57 - HG2 GLU 66 lone 1 61 - 1 - Peak 11067 from cnoeabs.peaks (0.88, 2.19, 36.01 ppm; 3.42 A): 3 out of 8 assignments used, quality = 0.64: QD2 LEU 38 + HG3 GLU 66 OK 51 97 - 53 - 11064/1.8=16, 9385=13...(11) QD2 LEU 90 + HG3 GLU 66 OK 18 100 - 18 - 11064/1.8=6, 11062/3.0=3...(5) QG1 VAL 32 + HG3 GLU 66 OK 10 77 - 13 - ~11065=4, 11064/1.8=4...(4) QG2 VAL 107 - HG3 GLU 66 poor 9 81 - 11 - 11064/1.8=3, ~11065=3...(4) QG2 VAL 104 - HG3 GLU 66 lone 7 100 - 7 - 11064/1.8=3, 11062/3.0=1 QG2 VAL 117 - HG3 GLU 66 lone 4 70 - 5 - 11064/1.8=1 QG2 VAL 29 - HG3 GLU 66 lone 2 81 - 2 - QG2 THR 9 - HG3 GLU 66 lone 1 61 - 1 - Peak 11068 from cnoeabs.peaks (0.72, 2.19, 36.01 ppm; 5.09 A): 4 out of 13 assignments used, quality = 0.71: QD1 LEU 6 + HG3 GLU 66 OK 32 92 - 35 - 11560/5.0=12...(6) QD2 LEU 63 + HG3 GLU 66 OK 26 73 - 36 - 4.0/11069=12...(8) QD2 LEU 6 + HG3 GLU 66 OK 25 92 - 28 - ~11563=8, ~11564=7...(7) QD1 LEU 63 + HG3 GLU 66 OK 24 73 - 33 - 4.0/11069=12, 9701/5.0=7...(6) QD2 LEU 81 - HG3 GLU 66 poor 9 61 - 15 - ~11065=8, ~11607=3, 11635/3.0=2 QG1 VAL 117 - HG3 GLU 66 lone 8 99 - 8 - 2.1/11067=2, ~11064=1 QD2 LEU 45 - HG3 GLU 66 lone 7 100 - 7 - ~11065=1, 4.0/11069=1...(4) QG2 VAL 78 - HG3 GLU 66 lone 4 100 - 4 - 9701/5.0=1 QD2 LEU 55 - HG3 GLU 66 lone 4 90 - 4 - ~11066=2 QG2 ILE 7 - HG3 GLU 66 lone 3 61 - 5 - ~11065=1 HG13 ILE 18 - HG3 GLU 66 lone 2 99 - 2 - QG2 ILE 18 - HG3 GLU 66 lone 2 97 - 2 - QD1 ILE 57 - HG3 GLU 66 lone 1 65 - 2 - Peak 11069 from cnoeabs.peaks (4.14, 2.19, 36.01 ppm; 4.47 A): 5 out of 11 assignments used, quality = 0.87: HA LEU 63 + HG3 GLU 66 OK 67 99 - 67 - 8113/3.0=22, 8110/4.9=21...(10) HA GLN 122 + HG3 GLU 66 OK 27 100 - 27 - 3.6/7635=5, 11070/1.8=5...(10) HA ARG 95 + HG3 GLU 66 OK 22 87 - 25 - 8219=7, 11070/1.8=4...(7) HA GLU 89 + HG3 GLU 66 OK 22 94 - 24 - 11070/1.8=4, 8181/3.0=3...(7) HA VAL 22 + HG3 GLU 66 OK 10 98 - 10 - 11070/1.8=2, 11450/3.0=2...(6) HA ALA 124 - HG3 GLU 66 lone 7 98 - 7 - 2098/5.0=2, 11070/1.8=1 HA LEU 45 - HG3 GLU 66 lone 6 92 - 6 - 11070/1.8=1, 4.0/11068=1 HB2 SER 72 - HG3 GLU 66 lone 5 73 - 6 - HB3 SER 72 - HG3 GLU 66 lone 5 73 - 6 - HA MET 1 - HG3 GLU 66 lone 2 57 - 4 - HA3 GLY 26 - HG3 GLU 66 lone 2 87 - 2 - Peak 11070 from cnoeabs.peaks (4.14, 2.39, 36.01 ppm; 4.92 A): 5 out of 11 assignments used, quality = 0.88: HA LEU 63 + HG2 GLU 66 OK 68 97 - 70 - 8110/4.9=24, 8113/3.0=24...(10) HA GLN 122 + HG2 GLU 66 OK 30 98 - 31 - 11069/1.8=7, 8114/3.0=4...(12) HA GLU 89 + HG2 GLU 66 OK 23 98 - 24 - 11069/1.8=6, 8181/3.0=3...(10) HA ARG 95 + HG2 GLU 66 OK 23 94 - 25 - 8219/1.8=8, 8221/3.0=5...(6) HA VAL 22 + HG2 GLU 66 OK 11 94 - 12 - 11069/1.8=3, 11450/3.0=2...(6) HA ALA 124 - HG2 GLU 66 lone 8 100 - 8 - 2098/5.0=2, 11069/1.8=2 HA LEU 45 - HG2 GLU 66 lone 7 97 - 7 - 11069/1.8=1, 4.0/11065=1 HB2 SER 72 - HG2 GLU 66 lone 5 61 - 8 - 11069/1.8=1 HB3 SER 72 - HG2 GLU 66 lone 5 61 - 8 - 11069/1.8=1 HA LEU 70 - HG2 GLU 66 lone 4 57 - 7 - ~431=2, ~7650=2, ~430=2 HA3 GLY 26 - HG2 GLU 66 lone 2 77 - 2 - Peak 11071 from cnoeabs.peaks (1.79, 0.51, 25.27 ppm; 4.39 A): 1 out of 9 assignments used, quality = 0.83: HB2 LEU 64 + QD1 LEU 68 OK 83 100 - 83 - 11074/2.1=23...(16) HB2 ARG 118 - QD1 LEU 68 lone 9 90 - 10 - 8262/10455=6, 11074/2.1=2 HB VAL 32 - QD1 LEU 68 lone 7 87 - 8 - 9287/4.0=3, 11074/2.1=2 HG12 ILE 5 - QD1 LEU 68 poor 7 61 - 11 - ~9768=5, 4688/4695=2 HB3 GLN 28 - QD1 LEU 68 lone 6 99 - 6 - 11074/2.1=2, 4688/4695=2 HB2 LYS 19 - QD1 LEU 68 lone 3 100 - 3 - 11074/2.1=1 HG2 ARG 105 - QD1 LEU 68 lone 3 70 - 4 - 11074/2.1=1 HB ILE 3 - QD1 LEU 68 lone 2 65 - 3 - 4688/4695=2 HB2 LEU 90 - QD1 LEU 68 lone 2 87 - 2 - Peak 11072 from cnoeabs.peaks (1.62, 0.51, 25.27 ppm; 3.82 A): 4 out of 11 assignments used, quality = 0.91: HB3 LEU 64 + QD1 LEU 68 OK 73 99 - 74 - 1.8/11071=20, ~11269=13...(15) HG LEU 64 + QD1 LEU 68 OK 48 65 - 73 - ~11269=18, 3.0/11071=17...(14) HG LEU 63 + QD1 LEU 68 OK 24 99 - 24 - 2.1/9766=8, ~11343=7...(5) HB2 LEU 82 + QD1 LEU 68 OK 16 100 - 16 - ~11397=3, ~11396=3...(7) HB ILE 116 - QD1 LEU 68 lone 9 98 - 9 - 8253/10455=3...(3) HD2 LYS 77 - QD1 LEU 68 lone 4 100 - 4 - 9849/4721=2 HD3 LYS 77 - QD1 LEU 68 lone 4 100 - 4 - 9849/4721=2 HG2 LYS 16 - QD1 LEU 68 lone 2 100 - 2 - HB3 LEU 127 - QD1 LEU 68 lone 2 90 - 2 - HG3 LYS 40 - QD1 LEU 68 lone 1 99 - 1 - HG LEU 90 - QD1 LEU 68 lone 1 77 - 2 - Peak 11073 from cnoeabs.peaks (1.63, 0.38, 23.07 ppm; 3.98 A): 3 out of 12 assignments used, quality = 0.94: HB3 LEU 64 + QD2 LEU 68 OK 79 100 - 79 - 3.1/11269=25...(16) HG LEU 64 + QD2 LEU 68 OK 60 77 - 78 - 2.1/11269=31...(13) HG LEU 63 + QD2 LEU 68 OK 24 97 - 24 - 2.1/11343=13, ~9766=5...(4) HB2 LEU 82 - QD2 LEU 68 OK 17 98 - 17 - 3.1/11397=4, 11072/2.1=3...(7) HB ILE 116 - QD2 LEU 68 OK 11 100 - 11 - 11637/11608=7, 11072/2.1=2 HB ILE 5 - QD2 LEU 68 poor 7 61 - 11 - 3.2/9768=5, 10938/11565=1 HD2 LYS 77 - QD2 LEU 68 lone 4 100 - 4 - 9849/4741=1 HD3 LYS 77 - QD2 LEU 68 lone 4 99 - 4 - 9849/4741=1 HG2 LYS 16 - QD2 LEU 68 lone 2 100 - 2 - HB3 LEU 127 - QD2 LEU 68 lone 2 81 - 3 - HG LEU 90 - QD2 LEU 68 lone 2 87 - 2 - HG3 LYS 40 - QD2 LEU 68 lone 1 97 - 1 - Peak 11074 from cnoeabs.peaks (1.79, 0.38, 23.07 ppm; 4.81 A): 1 out of 7 assignments used, quality = 0.91: HB2 LEU 64 + QD2 LEU 68 OK 91 100 - 92 - 3.1/11269=33...(19) HB VAL 32 - QD2 LEU 68 lone 9 92 - 10 - 9287/4.0=4, 11071/2.1=2 HB3 GLN 28 - QD2 LEU 68 lone 9 100 - 9 - 4688/4696=2, 11071/2.1=2 HB2 ARG 118 - QD2 LEU 68 lone 7 84 - 9 - 11071/2.1=3, 3.0/9754=2 HB2 LYS 19 - QD2 LEU 68 lone 5 100 - 5 - 4781/11269=1 HG2 ARG 105 - QD2 LEU 68 lone 4 61 - 7 - 11019/11608=3 HB2 LEU 90 - QD2 LEU 68 lone 3 92 - 3 - Peak 11075 from cnoeabs.peaks (1.69, 0.51, 25.27 ppm; 4.81 A): 1 out of 24 assignments used, quality = 0.53: HG12 ILE 71 + QD1 LEU 68 OK 53 100 - 53 - ~9775=22, ~11643=12...(7) HD2 LYS 73 - QD1 LEU 68 lone 6 96 - 6 - 11370/4.0=1, 3.8/9764=1 HD3 LYS 73 - QD1 LEU 68 lone 5 94 - 6 - 11370/4.0=1, 3.8/9764=1 HD2 LYS 20 - QD1 LEU 68 lone 5 99 - 5 - HD3 LYS 20 - QD1 LEU 68 lone 5 98 - 5 - HG3 LYS 123 - QD1 LEU 68 lone 5 98 - 5 - ~7104=1, 7114/3.1=1 HB ILE 54 - QD1 LEU 68 lone 5 90 - 5 - ~9768=3, ~9767=1 HD3 LYS 43 - QD1 LEU 68 lone 4 94 - 4 - HB ILE 56 - QD1 LEU 68 lone 4 99 - 4 - 2.1/9766=2 HD2 LYS 17 - QD1 LEU 68 lone 4 87 - 4 - 11477/9922=1 HD2 LYS 43 - QD1 LEU 68 lone 3 81 - 4 - HD3 LYS 96 - QD1 LEU 68 lone 3 92 - 3 - HD2 LYS 44 - QD1 LEU 68 lone 2 96 - 3 - HD3 LYS 44 - QD1 LEU 68 lone 2 92 - 3 - HD3 LYS 16 - QD1 LEU 68 lone 2 99 - 2 - HD2 LYS 96 - QD1 LEU 68 lone 2 87 - 3 - HD2 LYS 16 - QD1 LEU 68 lone 2 97 - 2 - HG LEU 74 - QD1 LEU 68 lone 2 90 - 2 - HD2 LYS 40 - QD1 LEU 68 lone 1 90 - 2 - HD3 LYS 40 - QD1 LEU 68 lone 1 87 - 2 - HG3 LYS 39 - QD1 LEU 68 lone 1 98 - 1 - HG3 ARG 95 - QD1 LEU 68 lone 1 70 - 2 - HD3 LYS 39 - QD1 LEU 68 lone 1 87 - 1 - HD2 LYS 39 - QD1 LEU 68 lone 1 84 - 1 - Peak 11076 from cnoeabs.peaks (1.77, 0.74, 16.61 ppm; 4.57 A): 3 out of 9 assignments used, quality = 0.81: HB VAL 32 + QG2 ILE 7 OK 66 100 - 66 - ~10928=14, 2.1/11583=14...(13) HG12 ILE 18 + QG2 ILE 7 OK 31 96 - 32 - 2.1/11582=13, ~11581=6...(8) HB2 LEU 55 + QG2 ILE 7 OK 20 87 - 23 - ~11136=5, ~11557=5...(10) HB3 GLN 28 - QG2 ILE 7 lone 6 92 - 6 - 11484=2, ~9076=1 HB2 LEU 64 - QG2 ILE 7 lone 4 73 - 5 - 3.6/390=1, 10520/11583=1 HG2 LYS 17 - QG2 ILE 7 lone 3 65 - 5 - ~11475=1 HB2 LEU 90 - QG2 ILE 7 lone 2 100 - 2 - HB2 LYS 19 - QG2 ILE 7 lone 1 77 - 2 - HB3 LYS 49 - QG2 ILE 7 lone 1 65 - 2 - Peak 11077 from cnoeabs.peaks (1.69, 4.16, 57.77 ppm; 4.22 A): 4 out of 24 assignments used, quality = 0.93: HD2 LYS 73 + HA LEU 70 OK 67 100 - 67 - 3.0/11081=23...(14) HD3 LYS 73 + HA LEU 70 OK 67 99 - 67 - 3.0/11081=23...(14) HG12 ILE 71 + HA LEU 70 OK 28 98 - 29 - 1469/3.6=10, 3.0/8160=5...(7) HG3 LYS 123 + HA LEU 70 OK 11 90 - 13 - 1469/3.6=3, 2.9/5031=3...(5) HD2 LYS 20 - HA LEU 70 lone 8 100 - 8 - HD3 LYS 20 - HA LEU 70 lone 8 100 - 8 - HD3 LYS 96 - HA LEU 70 lone 6 99 - 6 - HD2 LYS 96 - HA LEU 70 lone 6 97 - 6 - HD3 LYS 43 - HA LEU 70 lone 5 99 - 5 - HG LEU 74 - HA LEU 70 lone 5 73 - 7 - 1469/3.6=6 HD2 LYS 43 - HA LEU 70 lone 5 94 - 5 - HD2 LYS 44 - HA LEU 70 lone 3 84 - 4 - HD3 LYS 44 - HA LEU 70 lone 3 77 - 4 - HG3 ARG 95 - HA LEU 70 lone 2 87 - 3 - HD2 LYS 16 - HA LEU 70 lone 2 100 - 2 - HD3 LYS 16 - HA LEU 70 lone 2 100 - 2 - HB ILE 54 - HA LEU 70 lone 2 98 - 2 - HD2 LYS 40 - HA LEU 70 lone 1 98 - 1 - HD3 LYS 40 - HA LEU 70 lone 1 97 - 1 - HG3 LYS 39 - HA LEU 70 lone 1 90 - 2 - HB ILE 56 - HA LEU 70 lone 1 100 - 1 - HD2 LYS 17 - HA LEU 70 lone 1 97 - 1 - HD3 LYS 39 - HA LEU 70 lone 1 70 - 1 - HD2 LYS 39 - HA LEU 70 lone 1 65 - 1 - Peak 11078 from cnoeabs.peaks (2.56, 0.82, 18.37 ppm; 5.20 A): 1 out of 4 assignments used, quality = 0.78: HG2 MET 67 + QG2 ILE 71 OK 78 99 - 78 - ~9781=23, 9782/3.3=21...(11) HE3 LYS 77 - QG2 ILE 71 lone 4 84 - 4 - 1.8/9786=1 HB3 ASP 60 - QG2 ILE 71 lone 2 99 - 2 - HB3 ASP 86 - QG2 ILE 71 lone 2 100 - 2 - Peak 11079 from cnoeabs.peaks (2.41, 0.82, 18.37 ppm; 6.20 A): 2 out of 9 assignments used, quality = 0.81: HG3 MET 67 + QG2 ILE 71 OK 79 87 - 91 - 1.8/11078=45, ~9782=31...(12) HG2 GLN 122 + QG2 ILE 71 OK 11 100 - 11 - 3.5/9798=6, 9781/3.3=2, ~10604=1 HG2 GLN 85 - QG2 ILE 71 lone 5 100 - 5 - HG3 GLN 85 - QG2 ILE 71 lone 5 100 - 5 - HG2 GLU 66 - QG2 ILE 71 lone 4 73 - 6 - ~9779=2, 9427/11530=1 HG3 GLN 62 - QG2 ILE 71 lone 2 99 - 2 - HG2 GLN 62 - QG2 ILE 71 lone 2 98 - 2 - HB2 ASP 110 - QG2 ILE 71 lone 2 94 - 2 - HG2 GLU 91 - QG2 ILE 71 lone 2 92 - 2 - Peak 11080 from cnoeabs.peaks (4.16, 1.60, 24.91 ppm; 4.99 A): 3 out of 10 assignments used, quality = 0.88: HA LEU 70 + HG2 LYS 73 OK 81 100 - 82 - 11081/1.8=40...(12) HA LEU 45 + HG2 LYS 73 OK 23 73 - 32 - 2126/4.9=5, ~1295=5...(15) HA LEU 45 + HG2 LYS 44 OK 18 35 - 52 - ~266=13, 3.0/265=12...(12) HA ARG 95 - HG2 LYS 73 poor 9 81 - 11 - 2126/4.9=2, 8161/2.9=1...(5) HA ALA 124 - HG2 LYS 73 lone 5 57 - 9 - ~10621=1, 2126/4.9=1...(4) HA LEU 70 - HG2 LYS 44 lone 4 56 - 6 - 2126/1480=1 HA ARG 95 - HG2 LYS 44 lone 3 39 - 9 - ~7514=2, ~1629=1 HA GLU 89 - HG2 LYS 73 lone 1 70 - 2 - HA ALA 124 - HG2 LYS 44 lone 1 26 - 4 - HA GLU 89 - HG2 LYS 44 lone 0 33 - 1 - Peak 11081 from cnoeabs.peaks (4.17, 1.48, 24.91 ppm; 4.63 A): 1 out of 1 assignment used, quality = 0.61: HA LEU 70 + HG3 LYS 73 OK 61 90 - 68 - 11080/1.8=17...(12) Peak 11082 from cnoeabs.peaks (2.28, 2.85, 38.17 ppm; 5.72 A): 3 out of 22 assignments used, quality = 0.94: HG3 GLU 91 + HB2 ASN 88 OK 67 99 - 68 - 11104/3.0=21, ~8172=20...(7) HG3 GLU 87 + HB2 ASN 88 OK 56 87 - 65 - 5.0/1580=37...(6) HG2 GLU 87 + HB2 ASN 88 OK 56 87 - 65 - 5.0/1580=37...(6) HG2 GLU 111 - HB2 ASN 88 OK 29 99 - 29 - 11462=8, 7872/4.2=5...(8) HG3 GLU 111 - HB2 ASN 88 OK 19 81 - 24 - 1.8/11462=8, 11084/1.8=5...(6) HG3 GLU 92 - HB2 ASN 88 OK 15 65 - 24 - 1588/4.2=7, 11084/1.8=5...(6) HB2 GLU 37 - HB2 ASN 88 lone 5 81 - 7 - ~11229=2, 11084/1.8=2, 3.8/203=1 HG2 GLU 47 - HB2 ASN 88 lone 5 87 - 6 - ~8172=1, ~8174=1 HB3 ASN 8 - HB2 ASN 88 lone 3 92 - 3 - 11084/1.8=1 HB2 MET 121 - HB2 ASN 88 lone 3 97 - 3 - HG3 GLU 87 - HB3 TYR 76 lone 3 64 - 4 - HG2 GLU 87 - HB3 TYR 76 lone 3 64 - 4 - HG2 GLU 69 - HB2 ASN 88 lone 3 92 - 3 - HB3 ASN 8 - HB3 TYR 76 lone 2 69 - 3 - HG2 GLU 111 - HB3 TYR 76 lone 2 79 - 2 - HB2 GLU 37 - HB3 TYR 76 lone 1 58 - 2 - 3.8/203=1 HG3 GLU 111 - HB3 TYR 76 lone 1 58 - 2 - HB2 MET 121 - HB3 TYR 76 lone 1 75 - 2 - HG3 GLU 91 - HB3 TYR 76 lone 1 79 - 2 - HG2 GLU 69 - HB3 TYR 76 lone 1 69 - 2 - HG2 GLU 47 - HB3 TYR 76 lone 1 64 - 2 - HG3 GLU 92 - HB3 TYR 76 lone 1 46 - 2 - Peak 11083 from cnoeabs.peaks (2.03, 2.85, 38.17 ppm; 5.46 A): 3 out of 32 assignments used, quality = 0.95: HB3 GLU 89 + HB2 ASN 88 OK 66 97 - 68 - 4.0/556=36, 11085/1.8=12...(10) HB2 GLU 89 + HB2 ASN 88 OK 66 97 - 68 - 4.0/556=36, 11085/1.8=12...(10) HB3 GLU 87 + HB2 ASN 88 OK 58 97 - 60 - 4.6/1580=37...(5) HB3 GLU 111 - HB2 ASN 88 OK 22 92 - 24 - 3.0/11462=7, 7871/4.2=6...(7) HB2 MET 1 - HB3 TYR 76 OK 22 80 - 27 - ~10720=25, 10186/4.4=2 HB2 GLU 66 - HB2 ASN 88 lone 5 97 - 6 - 5751/4.2=2 HB3 GLN 85 - HB2 ASN 88 lone 4 97 - 4 - 7746/4.0=1 HB3 GLU 87 - HB3 TYR 76 lone 3 75 - 4 - HB2 GLU 48 - HB2 ASN 88 lone 3 97 - 3 - HB3 GLU 48 - HB2 ASN 88 lone 3 97 - 3 - HB2 GLU 89 - HB3 TYR 76 lone 2 75 - 3 - HB3 GLU 89 - HB3 TYR 76 lone 2 75 - 3 - HB3 GLU 111 - HB3 TYR 76 lone 2 69 - 3 - HB3 MET 67 - HB3 TYR 76 lone 2 52 - 4 - 9779/9842=1, 4620/4.4=1 HB2 MET 1 - HB2 ASN 88 lone 2 100 - 2 - HB3 GLN 100 - HB2 ASN 88 lone 2 77 - 2 - HB VAL 117 - HB2 ASN 88 lone 2 81 - 2 - HG3 GLU 52 - HB2 ASN 88 lone 2 90 - 2 - HB2 GLU 66 - HB3 TYR 76 lone 1 75 - 2 - HB2 GLN 25 - HB2 ASN 88 lone 1 87 - 2 - HB3 MET 67 - HB2 ASN 88 lone 1 73 - 2 - HB3 GLN 85 - HB3 TYR 76 lone 1 75 - 2 - HB3 GLN 100 - HB3 TYR 76 lone 1 55 - 2 - HB VAL 117 - HB3 TYR 76 lone 1 58 - 2 - HB3 GLU 48 - HB3 TYR 76 lone 1 75 - 1 - HB2 GLU 48 - HB3 TYR 76 lone 1 75 - 1 - HG3 GLU 52 - HB3 TYR 76 lone 1 67 - 1 - HB2 GLN 25 - HB3 TYR 76 lone 1 64 - 1 - HG2 GLU 128 - HB2 ASN 88 lone 1 61 - 1 - HG3 GLU 128 - HB2 ASN 88 lone 1 61 - 1 - HG3 GLU 128 - HB3 TYR 76 lone 1 43 - 1 - HG2 GLU 128 - HB3 TYR 76 lone 1 43 - 1 - Peak 11084 from cnoeabs.peaks (2.27, 2.90, 38.17 ppm; 5.33 A): 5 out of 10 assignments used, quality = 0.86: HG3 GLU 91 + HB3 ASN 88 OK 51 87 - 59 - ~8172=18, ~8174=15...(7) HG2 GLU 89 + HB3 ASN 88 OK 44 87 - 50 - 5.2/557=22, 3.0/11085=10...(7) HG3 GLU 92 + HB3 ASN 88 OK 22 92 - 24 - 1588/4.2=10, ~8172=4...(7) HG3 GLU 111 + HB3 ASN 88 OK 21 98 - 21 - ~11462=6, 1588/4.2=5...(6) HG2 GLU 111 + HB3 ASN 88 OK 17 87 - 20 - 11462/1.8=7, 7872/4.2=4...(7) HG2 GLU 103 - HB3 ASN 88 poor 8 61 - 13 - ~11014=8, ~8174=2 HB2 GLU 37 - HB3 ASN 88 lone 7 98 - 7 - 3.0/11229=2, 3.8/11451=1 HB3 ASN 8 - HB3 ASN 88 lone 5 100 - 5 - 4.0/1058=1, 1588/4.2=1 HG2 GLU 69 - HB3 ASN 88 lone 3 100 - 2 - HB2 MET 121 - HB3 ASN 88 lone 2 77 - 3 - Peak 11085 from cnoeabs.peaks (2.04, 2.90, 38.17 ppm; 5.09 A): 5 out of 17 assignments used, quality = 0.95: HB3 GLU 89 + HB3 ASN 88 OK 62 100 - 62 - 4.0/557=26, 11304/1.8=12...(9) HB2 GLU 89 + HB3 ASN 88 OK 62 100 - 62 - 4.0/557=26, 11304/1.8=12...(9) HB3 GLU 87 + HB3 ASN 88 OK 47 100 - 47 - 4.6/5739=31, ~11462=9...(5) HB3 GLU 111 + HB3 ASN 88 OK 17 77 - 22 - ~11462=5, 6603/4.2=4...(7) HB2 GLU 92 + HB3 ASN 88 OK 14 77 - 18 - 1586/4.2=5, ~8172=5...(6) HB2 GLU 66 - HB3 ASN 88 lone 5 100 - 5 - 5751/4.2=2 HB3 GLN 85 - HB3 ASN 88 lone 4 100 - 4 - 7746/4.0=1 HB2 GLU 47 - HB3 ASN 88 lone 3 65 - 4 - ~8172=1 HB2 GLU 48 - HB3 ASN 88 lone 2 100 - 2 - HB3 GLU 48 - HB3 ASN 88 lone 2 100 - 2 - HB3 GLN 100 - HB3 ASN 88 lone 2 92 - 2 - HB VAL 117 - HB3 ASN 88 lone 2 94 - 2 - HG3 GLU 52 - HB3 ASN 88 lone 1 98 - 1 - HB3 GLU 98 - HB3 ASN 88 lone 1 77 - 2 - HB2 MET 1 - HB3 ASN 88 lone 1 96 - 1 - HB3 MET 67 - HB3 ASN 88 lone 1 90 - 1 - HB2 GLN 25 - HB3 ASN 88 lone 1 70 - 1 - Peak 11086 from cnoeabs.peaks (0.97, 1.84, 32.22 ppm; 4.51 A): 2 out of 15 assignments used, quality = 0.88: QD1 ILE 3 + HB3 LYS 77 OK 66 100 - 66 - 2.1/11691=18...(9) QD1 ILE 3 + HB2 LYS 77 OK 66 100 - 66 - 2.1/11691=17...(9) QD1 LEU 38 - HB3 LYS 77 lone 4 98 - 4 - 4.8/7692=1 QD1 LEU 38 - HB2 LYS 77 lone 4 98 - 4 - 4.8/7692=1 QD1 LEU 38 - HB3 LYS 19 lone 3 83 - 4 - ~11031=1 HG13 ILE 56 - HB3 LYS 19 lone 3 75 - 5 - 7579/4.0=3 QD1 ILE 3 - HB3 LYS 19 lone 3 87 - 3 - HG13 ILE 116 - HB3 LYS 77 lone 2 100 - 2 - HG13 ILE 116 - HB2 LYS 77 lone 2 100 - 2 - HD3 LYS 2 - HB3 LYS 77 lone 1 96 - 1 - HD3 LYS 2 - HB2 LYS 77 lone 1 95 - 1 - HG13 ILE 56 - HB3 LYS 77 lone 1 92 - 1 - HG13 ILE 56 - HB2 LYS 77 lone 1 91 - 1 - HG13 ILE 116 - HB3 LYS 19 lone 1 87 - 1 - HD3 LYS 2 - HB3 LYS 19 lone 1 80 - 1 - Peak 11088 from cnoeabs.peaks (0.88, 1.29, 45.67 ppm; 4.10 A): 1 out of 7 assignments used, quality = 0.94: QG2 VAL 104 + HB3 LEU 80 OK 94 100 - 94 - 11092/3.1=28...(19) QD2 LEU 90 - HB3 LEU 80 OK 19 100 - 19 - 11383/1.8=5, 11092/3.1=4...(6) QD2 LEU 38 - HB3 LEU 80 OK 16 98 - 17 - 11383/1.8=4, 11092/3.1=4...(5) QG2 VAL 29 - HB3 LEU 80 poor 9 84 - 10 - 11383/1.8=2, 11089/3.0=2...(5) QG2 VAL 107 - HB3 LEU 80 lone 5 77 - 7 - 11092/3.1=1, 11383/1.8=1...(4) QG2 VAL 117 - HB3 LEU 80 lone 1 65 - 2 - QG1 VAL 32 - HB3 LEU 80 lone 1 73 - 2 - Peak 11089 from cnoeabs.peaks (0.88, 1.44, 28.31 ppm; 3.83 A): 3 out of 14 assignments used, quality = 0.94: QG2 VAL 104 + HG LEU 80 OK 91 100 - 91 - 11092/2.1=31...(19) QD2 LEU 90 + HG LEU 80 OK 18 100 - 18 - 11092/2.1=5, 11091/2.1=3...(5) QD2 LEU 38 + HG LEU 80 OK 17 98 - 17 - 11092/2.1=5, 11091/2.1=4...(5) QG2 VAL 29 - HG LEU 80 lone 8 84 - 9 - 11092/2.1=2, 11091/2.1=2...(4) QG2 VAL 107 - HG LEU 80 lone 5 77 - 6 - 11092/2.1=2 QG2 VAL 29 - HG LEU 4 lone 1 57 - 3 - 4.3/1196=2 QG1 VAL 32 - HG LEU 80 lone 1 73 - 2 - QG2 VAL 117 - HG LEU 80 lone 1 65 - 2 - QG2 VAL 104 - HG LEU 4 lone 1 75 - 1 - QD2 LEU 38 - HG LEU 4 lone 1 71 - 1 - QG2 VAL 107 - HG LEU 4 lone 1 51 - 2 - QG1 VAL 32 - HG LEU 4 lone 1 48 - 2 - QG2 VAL 117 - HG LEU 4 lone 1 42 - 2 - QD2 LEU 90 - HG LEU 4 lone 0 75 - 1 - Peak 11090 from cnoeabs.peaks (0.94, 1.44, 28.31 ppm; 3.50 A): 2 out of 14 assignments used, quality = 0.73: QG1 VAL 104 + HG LEU 80 OK 64 77 - 83 - 2.1/11089=18, ~11092=15...(20) HG13 ILE 97 + HG LEU 80 OK 27 61 - 44 - ~9924=17, ~9923=11...(8) QD1 LEU 38 - HG LEU 80 poor 7 65 - 11 - 2.1/11089=3, ~11092=2...(5) HG3 LYS 53 - HG LEU 4 lone 5 66 - 7 - 5.0/11327=3, ~9469=2, ~11235=1 HG13 ILE 56 - HG LEU 4 lone 4 54 - 8 - 11708/11329=1, ~10735=1 HD3 LYS 2 - HG LEU 4 lone 2 48 - 5 - ~9469=1, ~11235=1 QD1 LEU 38 - HG LEU 4 lone 1 42 - 2 - QG1 VAL 104 - HG LEU 4 lone 1 51 - 1 - QD2 LEU 127 - HG LEU 80 lone 1 84 - 1 - HG13 ILE 97 - HG LEU 4 lone 1 39 - 2 - HG13 ILE 56 - HG LEU 80 lone 0 81 - 1 - HD3 LYS 2 - HG LEU 80 lone 0 73 - 1 - HG3 LYS 53 - HG LEU 80 lone 0 94 - 0 - QD2 LEU 127 - HG LEU 4 lone 0 57 - 1 - Peak 11091 from cnoeabs.peaks (0.89, 0.78, 27.66 ppm; 3.31 A): 4 out of 8 assignments used, quality = 0.86: QG2 VAL 104 + QD2 LEU 80 OK 80 94 - 85 - 11092/2.1=22...(24) QD2 LEU 38 + QD2 LEU 80 OK 14 99 - 14 - 11092/2.1=3, 11089/2.1=2...(5) QD2 LEU 90 + QD2 LEU 80 OK 14 90 - 15 - 11092/2.1=3, 11089/2.1=3...(5) QD1 LEU 90 + QD2 LEU 80 OK 10 92 - 11 - ~11092=2, ~11089=2...(5) QG2 VAL 29 - QD2 LEU 80 lone 7 100 - 7 - 11092/2.1=1, 11383/3.1=1 QD1 LEU 70 - QD2 LEU 80 lone 2 84 - 3 - QD2 LEU 70 - QD2 LEU 80 lone 2 92 - 2 - HG13 ILE 54 - QD2 LEU 80 lone 1 65 - 1 - Peak 11092 from cnoeabs.peaks (0.88, 0.78, 25.50 ppm; 2.87 A): 3 out of 7 assignments used, quality = 0.79: QG2 VAL 104 + QD1 LEU 80 OK 73 100 - 73 - 11091/2.1=13...(23) QD2 LEU 90 + QD1 LEU 80 OK 12 100 - 12 - 11089/2.1=2, 11091/2.1=2...(5) QD2 LEU 38 + QD1 LEU 80 OK 11 98 - 11 - 11089/2.1=2, 11091/2.1=2...(4) QG2 VAL 29 - QD1 LEU 80 lone 5 84 - 5 - 11091/2.1=1, 11089/2.1=1 QG2 VAL 107 - QD1 LEU 80 lone 4 77 - 5 - QG1 VAL 32 - QD1 LEU 80 lone 1 73 - 1 - QG2 VAL 117 - QD1 LEU 80 lone 1 65 - 1 - Peak 11093 from cnoeabs.peaks (1.61, 0.78, 27.66 ppm; 4.23 A): 3 out of 12 assignments used, quality = 0.63: HG LEU 68 + QD2 LEU 80 OK 46 61 - 74 - 2.1/9922=40, ~9925=24...(8) HG LEU 82 + QD2 LEU 80 OK 18 94 - 19 - ~11395=7, ~9964=4...(5) HB2 LEU 82 + QD2 LEU 80 OK 17 81 - 21 - ~11395=5, 9964/2.1=5...(8) HG LEU 63 - QD2 LEU 80 lone 3 84 - 4 - 3.0/11094=1 HG2 LYS 73 - QD2 LEU 80 lone 2 92 - 3 - HB3 LEU 127 - QD2 LEU 80 lone 1 98 - 1 - HD3 LYS 77 - QD2 LEU 80 lone 1 73 - 2 - HD2 LYS 77 - QD2 LEU 80 lone 1 70 - 2 - HG3 LYS 19 - QD2 LEU 80 lone 1 90 - 1 - HG3 LYS 40 - QD2 LEU 80 lone 1 84 - 1 - HD2 LYS 19 - QD2 LEU 80 lone 1 84 - 1 - HD3 LYS 19 - QD2 LEU 80 lone 1 84 - 1 - Peak 11094 from cnoeabs.peaks (1.88, 0.78, 27.66 ppm; 4.90 A): 0 out of 19 assignments used, low quality = 0.27: HB ILE 7 - QD2 LEU 80 OK 27 94 - 29 - ~11625=13, 3.0/2492=6...(5) HB ILE 71 - QD2 LEU 80 lone 8 84 - 9 - 11643/9923=2, 5076/4.7=1...(5) QE MET 42 - QD2 LEU 80 poor 7 70 - 11 - 9431/2.1=2, ~11694=2...(5) QE MET 67 - QD2 LEU 80 lone 6 100 - 6 - 4.3/9708=2 HB2 LEU 63 - QD2 LEU 80 lone 4 87 - 5 - 3.0/11093=1, 4.6/1421=1 HB3 LYS 73 - QD2 LEU 80 lone 3 90 - 3 - 2.9/11093=1 HB2 LYS 73 - QD2 LEU 80 lone 3 87 - 3 - 2.9/11093=1 HB3 ARG 118 - QD2 LEU 80 lone 2 87 - 3 - 8264/10452=1 HG LEU 45 - QD2 LEU 80 lone 2 100 - 2 - HB2 GLU 128 - QD2 LEU 80 lone 2 65 - 3 - HG2 ARG 95 - QD2 LEU 80 lone 2 97 - 2 - HB3 LYS 16 - QD2 LEU 80 lone 2 100 - 2 - HB2 LYS 16 - QD2 LEU 80 lone 2 100 - 2 - HB3 LYS 20 - QD2 LEU 80 lone 2 97 - 2 - HB2 LYS 20 - QD2 LEU 80 lone 2 97 - 2 - HB2 LYS 96 - QD2 LEU 80 lone 1 65 - 2 - HB3 LYS 43 - QD2 LEU 80 lone 1 65 - 2 - HB2 ARG 95 - QD2 LEU 80 lone 1 81 - 1 - HB2 LYS 49 - QD2 LEU 80 lone 1 73 - 1 - Peak 11095 from cnoeabs.peaks (8.05, 2.12, 33.72 ppm; 6.20 A): 2 out of 7 assignments used, quality = 0.66: H ASP 109 + HG3 GLN 83 OK 43 77 - 56 - 3.6/10001=31...(8) H THR 9 + HG3 GLN 83 OK 40 97 - 42 - ~9991=23, 3.9/10012=14 H LEU 90 - HG3 GLN 83 lone 6 99 - 6 - 4.6/7732=2 H LYS 65 - HG3 GLN 83 lone 4 84 - 5 - 1858/5.0=2 H VAL 22 - HG3 GLN 83 lone 3 81 - 4 - 4.0/10012=1 H GLN 122 - HG3 GLN 83 lone 2 100 - 2 - H HIS 131 - HG3 GLN 83 lone 2 96 - 2 - Peak 11096 from cnoeabs.peaks (7.18, 5.26, 54.59 ppm; 6.20 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11097 from cnoeabs.peaks (3.22, 0.86, 19.21 ppm; 4.99 A): 1 out of 4 assignments used, quality = 0.63: HA ILE 15 + QG2 THR 9 OK 63 100 - 63 - 2.9/9125=30, 3.9/9116=20...(9) HB2 PHE 120 - QG2 THR 9 lone 7 100 - 8 - 10563/9118=1 HD2 ARG 95 - QG2 THR 9 lone 3 99 - 3 - HD3 ARG 95 - QG2 THR 9 lone 3 98 - 3 - Peak 11098 from cnoeabs.peaks (3.03, 0.86, 19.21 ppm; 6.20 A): 1 out of 8 assignments used, quality = 0.92: HB2 ASN 11 + QG2 THR 9 OK 92 100 - 92 - 9133/3.0=43, 4.1/9126=41...(11) HE2 LYS 94 - QG2 THR 9 lone 6 94 - 7 - 3.8/10756=2, 9131/4.0=1 HE3 LYS 49 - QG2 THR 9 lone 4 84 - 5 - 9131/4.0=1 HE2 LYS 49 - QG2 THR 9 lone 4 84 - 5 - 9131/4.0=1 HB2 PHE 51 - QG2 THR 9 lone 4 100 - 4 - 9131/4.0=1 HB3 PHE 93 - QG2 THR 9 lone 3 96 - 4 - 9131/4.0=1 HE2 LYS 123 - QG2 THR 9 lone 2 77 - 3 - HE3 LYS 123 - QG2 THR 9 lone 2 61 - 3 - Peak 11099 from cnoeabs.peaks (4.50, 0.88, 24.74 ppm; 5.49 A): 1 out of 4 assignments used, quality = 0.94: HA ASP 84 + QD2 LEU 90 OK 94 100 - 94 - 3.0/11571=43...(14) HA GLU 103 - QD2 LEU 90 OK 14 99 - 14 - 10216/2.1=10, 3.6/1691=2 HA GLN 28 - QD2 LEU 90 OK 11 99 - 11 - 9240=4, 3.0/9235=2 HA ASP 36 - QD2 LEU 90 lone 7 73 - 9 - 3.6/9359=4, 8034/10976=1 Peak 11100 from cnoeabs.peaks (4.92, 0.88, 24.74 ppm; 6.20 A): 2 out of 3 assignments used, quality = 0.71: HA LEU 82 + QD2 LEU 90 OK 62 97 - 64 - 3.0/9967=21, 3.0/9965=17...(9) HA ARG 105 + QD2 LEU 90 OK 23 100 - 23 - 3.6/10279=16, 3.0/667=5, ~667=1 HA ILE 57 - QD2 LEU 90 lone 2 98 - 2 - Peak 11104 from cnoeabs.peaks (4.57, 2.29, 35.05 ppm; 6.20 A): 2 out of 3 assignments used, quality = 0.83: HA ASN 88 + HG3 GLU 91 OK 75 99 - 76 - 8172/3.0=32, 8171/5.2=31...(7) HA PHE 79 + HG3 GLU 91 OK 32 100 - 32 - 3.7/4641=11, 8175/3.0=9...(5) HA LYS 77 - HG3 GLU 91 lone 6 65 - 8 - 8175/3.0=2, 8173/3.0=2 Peak 11105 from cnoeabs.peaks (4.08, 1.32, 24.71 ppm; 5.74 A): 4 out of 8 assignments used, quality = 0.84: HA GLU 91 + HG3 LYS 94 OK 58 100 - 58 - 8194/3.0=18, 8196/3.0=17...(10) HA LYS 43 + HG3 LYS 94 OK 34 87 - 40 - 8194/3.0=8, 8196/3.0=7...(8) HA LYS 96 + HG3 LYS 94 OK 31 90 - 35 - 8194/3.0=10, 8196/3.0=10...(6) HA LYS 44 + HG3 LYS 94 OK 17 77 - 21 - ~256=6, ~7505=5...(5) HA LYS 20 - HG3 LYS 94 lone 7 90 - 8 - 8194/3.0=1, 8196/3.0=1...(4) HA3 GLY 125 - HG3 LYS 94 lone 4 84 - 5 - 2154/4.9=1, 8194/3.0=1 HA GLU 37 - HG3 LYS 94 lone 4 70 - 5 - 8196/3.0=1, 8194/3.0=1 HA ASP 110 - HG3 LYS 94 lone 1 61 - 2 - Peak 11106 from cnoeabs.peaks (4.09, 1.54, 30.10 ppm; 5.32 A): 4 out of 10 assignments used, quality = 0.80: HA LYS 43 + HD2 LYS 94 OK 36 100 - 36 - 3815/3.0=7, 8085/1.8=7...(8) HA LYS 43 + HD3 LYS 94 OK 36 100 - 36 - 3815/3.0=7, 8085/1.8=7...(8) HA GLU 91 + HD3 LYS 94 OK 31 81 - 39 - 8195/3.6=10, 8194/3.6=10...(8) HA GLU 91 + HD2 LYS 94 OK 31 81 - 39 - 8195/3.6=10, 8194/3.6=10...(8) HA LYS 20 - HD3 LYS 94 lone 6 100 - 6 - 11105/3.0=1 HA LYS 20 - HD2 LYS 94 lone 6 100 - 6 - 11105/3.0=1 HA ASP 110 - HD3 LYS 94 lone 2 96 - 2 - HA ASP 110 - HD2 LYS 94 lone 2 96 - 2 - HA GLN 62 - HD2 LYS 94 lone 1 65 - 2 - HA GLN 62 - HD3 LYS 94 lone 1 65 - 2 - Peak 11107 from cnoeabs.peaks (1.76, 0.68, 18.75 ppm; 4.04 A): 4 out of 10 assignments used, quality = 0.83: HB2 LEU 80 + QG2 ILE 97 OK 52 99 - 53 - ~9924=13, 3.1/10133=10...(12) HB2 LEU 68 + QG2 ILE 97 OK 49 90 - 55 - 3.1/11496=31, ~11641=13...(8) HD3 LYS 123 + QG2 ILE 97 OK 17 92 - 19 - 1.8/10114=9...(5) HG3 ARG 105 + QG2 ILE 97 OK 15 98 - 15 - 3.0/10114=5, 1.8/11016=3...(5) HG12 ILE 18 - QG2 ILE 97 lone 5 97 - 5 - 2.9/10114=2, 11710=1 HB2 LEU 55 - QG2 ILE 97 lone 5 100 - 5 - ~10131=1 HG2 LYS 17 - QG2 ILE 97 lone 4 100 - 4 - HB VAL 32 - QG2 ILE 97 lone 1 65 - 2 - HB3 LYS 49 - QG2 ILE 97 lone 1 100 - 1 - HB2 LEU 90 - QG2 ILE 97 lone 0 65 - 1 - Peak 11108 from cnoeabs.peaks (1.59, 0.68, 18.75 ppm; 5.67 A): 3 out of 11 assignments used, quality = 0.94: HG LEU 68 + QG2 ILE 97 OK 80 100 - 80 - 2.1/11496=50, ~11641=37...(7) HG LEU 82 + QG2 ILE 97 OK 57 92 - 62 - ~11396=27, ~11397=26...(6) HB3 LEU 70 + QG2 ILE 97 OK 25 65 - 39 - 3.0/10114=10, ~8140=7...(8) HG2 LYS 123 - QG2 ILE 97 OK 17 84 - 20 - 2.9/10114=9, 2.9/11107=5...(4) HG3 LYS 96 - QG2 ILE 97 OK 17 65 - 26 - 7799/4.0=9, ~11495=6...(5) HG12 ILE 116 - QG2 ILE 97 OK 10 99 - 10 - 4.5/1765=3 HG2 LYS 44 - QG2 ILE 97 lone 6 98 - 6 - 7799/4.0=2, ~11495=1 HG3 LYS 19 - QG2 ILE 97 lone 4 96 - 4 - 3.0/10114=2 HD3 LYS 19 - QG2 ILE 97 lone 4 98 - 4 - 3.6/10114=2 HD2 LYS 19 - QG2 ILE 97 lone 4 98 - 4 - 3.6/10114=2 HG2 LYS 73 - QG2 ILE 97 lone 2 94 - 2 - Peak 11109 from cnoeabs.peaks (6.63, 7.57, 33.72 ppm; 4.82 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11115 from cnoeabs.peaks (8.05, 4.13, 62.80 ppm; 3.72 A): 1 out of 1 assignment used, quality = 0.70: H VAL 22 + HA VAL 22 OK 70 70 - 100 - 3.0=100 Peak 11116 from cnoeabs.peaks (6.78, 4.13, 62.80 ppm; 5.13 A): 2 out of 6 assignments used, quality = 0.97: QD TYR 27 + HA VAL 22 OK 94 99 - 95 - 2.5/10862=29, 4577=22...(21) QD PHE 120 + HA VAL 22 OK 55 97 - 57 - ~10870=20, 10850/3.2=12...(9) QD TYR 27 - HB3 SER 72 OK 18 80 - 23 - 4571/11450=6, 4577=4...(7) QD TYR 27 - HB2 SER 72 OK 18 80 - 23 - 4571/11450=6, 4577=4...(7) QD PHE 120 - HB3 SER 72 lone 2 77 - 3 - QD PHE 120 - HB2 SER 72 lone 2 77 - 3 - Peak 11117 from cnoeabs.peaks (0.72, 0.64, 20.11 ppm; 2.95 A): 3 out of 11 assignments used, quality = 0.66: QG2 ILE 18 + QG1 VAL 22 OK 35 100 - 35 - 2.1/10865=7, 3.2/10857=5...(15) QD2 LEU 55 + QG1 VAL 22 OK 29 73 - 39 - 3.1/10866=10, ~10874=7...(11) HG13 ILE 18 + QG1 VAL 22 OK 26 94 - 28 - 2.9/10865=6, 3.8/10857=5...(11) QG1 VAL 117 - QG1 VAL 22 lone 9 100 - 9 - 10517/10857=2 QD1 ILE 57 - QG1 VAL 22 lone 3 84 - 3 - QD2 LEU 63 - QG1 VAL 22 lone 2 90 - 2 - QD1 LEU 6 - QG1 VAL 22 lone 2 99 - 2 - QG2 VAL 78 - QG1 VAL 22 lone 2 99 - 2 - QD2 LEU 45 - QG1 VAL 22 lone 1 99 - 1 - QD2 LEU 6 - QG1 VAL 22 lone 1 77 - 1 - QD2 LEU 81 - QG1 VAL 22 lone 1 81 - 1 - Peak 11118 from cnoeabs.peaks (0.74, 0.85, 19.94 ppm; 3.10 A): 3 out of 11 assignments used, quality = 0.77: QD2 LEU 55 + QG2 VAL 22 OK 53 100 - 53 - 11138=14, 3.1/10874=13...(10) HG13 ILE 18 + QG2 VAL 22 OK 34 97 - 35 - 2.9/10871=6, 10779=5...(12) QG2 ILE 18 + QG2 VAL 22 OK 28 65 - 42 - 2.1/10871=6, 11117/2.1=5...(17) QG1 VAL 117 - QG2 VAL 22 lone 6 77 - 8 - 11117/2.1=1 QG2 ILE 7 - QG2 VAL 22 lone 4 96 - 4 - 11583=1 QD2 LEU 6 - QG2 VAL 22 lone 3 100 - 3 - QD1 LEU 63 - QG2 VAL 22 lone 2 99 - 2 - QG2 ILE 54 - QG2 VAL 22 lone 2 92 - 2 - QD2 LEU 45 - QG2 VAL 22 lone 1 90 - 1 - QG2 VAL 78 - QG2 VAL 22 lone 1 90 - 1 - QD1 LEU 45 - QG2 VAL 22 lone 1 65 - 1 - Peak 11119 from cnoeabs.peaks (0.72, 4.13, 62.80 ppm; 4.74 A): 3 out of 30 assignments used, quality = 0.82: QG2 ILE 18 + HA VAL 22 OK 63 100 - 63 - 11117/3.2=14, ~10857=12...(14) HG13 ILE 18 + HA VAL 22 OK 42 84 - 50 - 11117/3.2=11...(10) QG1 VAL 117 + HA VAL 22 OK 16 99 - 16 - 11117/3.2=4, 7905/3.0=2...(6) QD1 ILE 57 - HA VAL 22 lone 8 94 - 8 - ~9579=3, 10601/10586=1 QD2 LEU 45 - HB3 SER 72 lone 5 73 - 7 - 9436/3.0=2, ~9434=1...(4) QD2 LEU 45 - HB2 SER 72 lone 5 73 - 7 - 9436/3.0=2, ~9434=1...(4) QD2 LEU 63 - HA VAL 22 lone 4 97 - 4 - QD1 LEU 6 - HA VAL 22 lone 4 100 - 4 - QD2 LEU 45 - HA VAL 22 lone 3 94 - 3 - QD2 LEU 81 - HA VAL 22 lone 2 92 - 3 - QG2 VAL 78 - HA VAL 22 lone 2 94 - 2 - QG1 VAL 117 - HB3 SER 72 lone 2 80 - 3 - QG1 VAL 117 - HB2 SER 72 lone 2 80 - 3 - QG2 ILE 18 - HB2 SER 72 lone 2 82 - 3 - QG2 ILE 18 - HB3 SER 72 lone 2 82 - 3 - QD2 LEU 63 - HB3 SER 72 lone 2 77 - 2 - QD2 LEU 63 - HB2 SER 72 lone 2 77 - 2 - QD2 LEU 6 - HA VAL 22 lone 2 61 - 3 - QG2 VAL 78 - HB3 SER 72 lone 1 73 - 2 - QG2 VAL 78 - HB2 SER 72 lone 1 73 - 2 - QD1 ILE 57 - HB2 SER 72 lone 1 73 - 2 - QD1 ILE 57 - HB3 SER 72 lone 1 73 - 2 - HG13 ILE 18 - HB3 SER 72 lone 1 63 - 2 - HG13 ILE 18 - HB2 SER 72 lone 1 63 - 2 - QD1 LEU 6 - HB2 SER 72 lone 1 82 - 1 - QD1 LEU 6 - HB3 SER 72 lone 1 82 - 1 - QD2 LEU 81 - HB3 SER 72 lone 1 71 - 1 - QD2 LEU 81 - HB2 SER 72 lone 1 71 - 1 - QD2 LEU 6 - HB3 SER 72 lone 0 44 - 1 - QD2 LEU 6 - HB2 SER 72 lone 0 44 - 1 - Peak 11120 from cnoeabs.peaks (3.95, 2.21, 29.21 ppm; 4.76 A): 5 out of 8 assignments used, quality = 0.88: HA MET 67 + HB2 GLN 100 OK 50 98 - 51 - 10893/3.0=12...(11) HA MET 67 + HB2 GLU 69 OK 38 80 - 48 - 8138/4.6=16, 2105/4.0=14...(8) HB3 SER 35 + HB2 GLN 100 OK 34 99 - 34 - 10893/3.0=9, 10894/3.0=7...(6) HA ILE 97 + HB2 GLN 100 OK 28 73 - 38 - 10148/4.6=8, 10165/4.6=8...(9) HA GLU 21 + HB2 GLN 100 OK 19 94 - 20 - 10893/3.0=6, 11179/4.0=5...(5) HB3 SER 35 - HB2 GLU 69 poor 10 81 - 12 - 2112/4.6=5, 2105/4.0=3 HA ILE 97 - HB2 GLU 69 poor 6 55 - 12 - 2112/4.6=5, 2105/4.0=4 HA GLU 21 - HB2 GLU 69 lone 3 74 - 4 - 2112/4.6=1 Peak 11121 from cnoeabs.peaks (3.95, 2.05, 29.21 ppm; 3.90 A): 6 out of 35 assignments used, quality = 0.88: HA MET 67 + HB2 GLU 66 OK 51 89 - 57 - 2.9/1441=13, ~411=12...(14) HA MET 67 + HB3 GLN 100 OK 35 100 - 35 - 11120/1.8=7, 10893/3.0=7...(9) HA ILE 97 + HB3 GLN 100 OK 29 87 - 33 - 10148/4.6=6, 10165/4.6=6...(11) HA ILE 97 + HB3 GLU 98 OK 25 56 - 44 - 3.6/1655=14, ~10162=9...(9) HB3 SER 35 + HB3 GLN 100 OK 24 100 - 24 - 10893/3.0=5, 11120/1.8=5...(7) HA GLU 21 + HB3 GLN 100 OK 11 84 - 13 - 10893/3.0=3, 11179/4.0=3...(5) HA MET 67 - HB3 GLN 85 lone 7 82 - 8 - 2.9/410=1 HA ILE 97 - HB2 GLU 66 lone 4 72 - 5 - ~11066=2, 3.6/1655=2 HA MET 67 - HB3 GLU 89 lone 4 89 - 4 - HA MET 67 - HB2 GLU 89 lone 4 89 - 4 - HA MET 67 - HB3 GLU 98 lone 4 72 - 5 - 2176/4.3=1 HA ILE 97 - HB3 GLN 85 lone 2 65 - 4 - 3.6/1655=1 HA ILE 97 - HB2 GLU 89 lone 2 73 - 3 - HA ILE 97 - HB3 GLU 89 lone 2 73 - 3 - HA MET 67 - HB2 GLU 92 lone 2 58 - 3 - HA MET 121 - HB2 GLU 66 lone 1 49 - 3 - 3.6/7753=1 HB3 SER 35 - HB3 GLU 98 lone 1 72 - 2 - HA ILE 97 - HB2 GLU 92 lone 1 44 - 3 - HB3 SER 35 - HB2 GLU 66 lone 1 89 - 1 - HA GLU 21 - HB2 GLU 66 lone 1 69 - 1 - HB3 SER 35 - HB3 GLU 89 lone 1 90 - 1 - HB3 SER 35 - HB2 GLU 89 lone 1 90 - 1 - HB3 SER 35 - HB2 GLU 92 lone 1 58 - 1 - HA GLU 21 - HB2 GLU 89 lone 1 70 - 1 - HA GLU 21 - HB3 GLU 89 lone 1 70 - 1 - HA MET 121 - HB3 GLN 85 lone 1 44 - 1 - HB3 SER 35 - HB3 GLN 85 lone 1 82 - 1 - HA MET 121 - HB3 GLN 100 lone 1 61 - 1 - HA GLU 21 - HB3 GLU 98 lone 0 54 - 1 - HA GLU 21 - HB3 GLN 85 lone 0 63 - 1 - HA MET 121 - HB3 GLU 89 lone 0 49 - 1 - HA MET 121 - HB2 GLU 89 lone 0 49 - 1 - HA GLU 21 - HB2 GLU 92 lone 0 42 - 1 - HA MET 121 - HB3 GLU 98 lone 0 37 - 1 - HA MET 121 - HB2 GLU 92 lone 0 29 - 1 - Peak 11122 from cnoeabs.peaks (2.16, 1.25, 21.44 ppm; 5.18 A): 2 out of 6 assignments used, quality = 0.65: HB2 GLN 85 + QG2 THR 108 OK 61 90 - 68 - 3.0/10030=37...(6) HB3 GLU 13 + QG2 THR 108 OK 10 100 - 10 - ~11188=4, 1.8/10325=3 HB3 GLU 37 - QG2 THR 108 poor 10 84 - 12 - 3.0/10330=4, 4.7/10336=3 HB2 GLU 98 - QG2 THR 108 poor 8 70 - 11 - 1.8/10325=3, 2.9/10331=2 HB2 GLN 62 - QG2 THR 108 lone 3 99 - 3 - HB3 GLN 62 - QG2 THR 108 lone 3 99 - 3 - Peak 11123 from cnoeabs.peaks (8.11, 2.73, 43.69 ppm; 6.20 A): 2 out of 4 assignments used, quality = 0.74: H ALA 113 + HB3 ASP 109 OK 65 99 - 65 - 4.6/10402=33...(9) H VAL 117 + HB3 ASP 109 OK 26 97 - 26 - 10411/4.4=7, 4.0/10364=6...(7) H PHE 93 - HB3 ASP 109 poor 9 90 - 11 - 4.6/10344=3...(4) H SER 99 - HB3 ASP 109 lone 2 77 - 3 - Peak 11124 from cnoeabs.peaks (0.81, 2.02, 28.50 ppm; 5.62 A): 2 out of 7 assignments used, quality = 0.87: QD1 LEU 114 + HB3 GLU 111 OK 85 96 - 89 - 11422/3.0=25, ~11423=24...(13) QD1 LEU 64 + HB3 GLU 111 OK 14 100 - 14 - 11422/3.0=3, ~11192=3...(6) QD1 LEU 74 - HB3 GLU 111 lone 9 99 - 9 - 4.8/11374=6 QD2 LEU 74 - HB3 GLU 111 lone 9 98 - 9 - 4.8/11374=6 QG2 ILE 71 - HB3 GLU 111 lone 4 99 - 4 - QD2 LEU 82 - HB3 GLU 111 lone 2 87 - 2 - QG1 VAL 29 - HB3 GLU 111 lone 1 84 - 2 - Peak 11125 from cnoeabs.peaks (8.04, 1.41, 18.60 ppm; 5.67 A): 4 out of 9 assignments used, quality = 0.83: H ARG 118 + QB ALA 113 OK 52 92 - 56 - 4.3/10522=21...(7) H ASP 109 + QB ALA 113 OK 39 100 - 39 - 4.6/10407=21...(7) H LYS 65 + QB ALA 113 OK 33 100 - 33 - 4.2/11010=5, 4.6/10408=5...(11) H VAL 22 + QB ALA 113 OK 16 100 - 16 - 4.7/11224=6, 3.6/10428=5 H LEU 90 - QB ALA 113 lone 8 90 - 9 - 4.0/11010=2, 4.6/10406=1 H THR 9 - QB ALA 113 lone 8 96 - 8 - 3.9/10418=2 H SER 72 - QB ALA 113 lone 4 84 - 5 - H GLY 26 - QB ALA 113 lone 2 73 - 3 - H GLN 122 - QB ALA 113 lone 1 65 - 2 - Peak 11126 from cnoeabs.peaks (0.61, 3.71, 57.67 ppm; 4.76 A): 2 out of 3 assignments used, quality = 0.69: QD1 ILE 18 + HA LEU 114 OK 64 98 - 65 - 9197/3.0=19, 10921=15...(10) QD1 ILE 5 + HA LEU 114 OK 13 70 - 19 - 10524/10515=5...(6) QG1 VAL 78 - HA LEU 114 lone 8 96 - 8 - 10524/10515=2...(4) Peak 11127 from cnoeabs.peaks (2.08, 1.74, 40.94 ppm; 5.28 A): 3 out of 28 assignments used, quality = 0.94: HB3 GLU 112 + HB2 LEU 114 OK 64 100 - 64 - 3.0/8239=10, 10444/3.9=9...(16) HB2 GLU 112 + HB2 LEU 114 OK 64 99 - 64 - 3.0/8239=10, 4.6/10430=9...(16) HB2 GLU 111 + HB2 LEU 114 OK 54 61 - 88 - 3.0/8238=38, ~8240=23...(13) HB3 PHE 79 - HB2 LEU 68 OK 23 69 - 33 - 4.4/4653=8, ~9751=7...(6) HB3 GLU 69 - HB2 LEU 68 OK 20 62 - 31 - 4.0/423=18, ~11489=7...(4) HG2 GLU 119 - HB2 LEU 114 OK 11 99 - 12 - 11200/3.1=3, 5.3/751=2 HB3 GLU 66 - HB2 LEU 68 poor 9 53 - 17 - ~9761=6, 1455/4.6=6...(4) HB3 PHE 79 - HB2 LEU 114 lone 6 99 - 6 - 4.4/4653=1 HB3 GLU 66 - HB2 LEU 114 lone 6 84 - 7 - ~11066=2 HB3 GLU 69 - HB2 LEU 114 lone 6 94 - 6 - 4.0/423=2 HB2 LYS 94 - HB2 LEU 114 lone 6 92 - 6 - HB3 MET 121 - HB2 LEU 114 lone 6 100 - 6 - 8286/6855=2 HB2 GLN 28 - HB2 LEU 114 lone 5 65 - 7 - ~11629=1, ~9239=1, ~11483=1 HB2 LYS 94 - HB2 LEU 68 lone 5 60 - 8 - ~10104=2, 3.9/1620=1...(4) HB3 GLU 112 - HB2 LEU 68 lone 3 70 - 4 - 1455/4.6=2 HB2 GLU 112 - HB2 LEU 68 lone 3 70 - 4 - 1455/4.6=2 HB3 GLU 91 - HB2 LEU 114 lone 3 90 - 3 - HB2 GLU 87 - HB2 LEU 114 lone 2 81 - 3 - HB2 GLU 103 - HB2 LEU 114 lone 2 97 - 2 - HB2 GLN 28 - HB2 LEU 68 lone 2 39 - 6 - ~11074=2, ~11071=1 HG2 GLU 119 - HB2 LEU 68 lone 2 70 - 3 - HB3 MET 121 - HB2 LEU 68 lone 2 70 - 3 - HB2 GLU 103 - HB2 LEU 68 lone 2 66 - 3 - 10206/9752=1 HB2 GLU 13 - HB2 LEU 114 lone 2 73 - 2 - HB2 GLU 111 - HB2 LEU 68 lone 1 37 - 4 - 1455/4.6=1 HB2 GLU 87 - HB2 LEU 68 lone 1 50 - 2 - HB3 GLU 91 - HB2 LEU 68 lone 1 58 - 2 - HB2 GLU 13 - HB2 LEU 68 lone 1 45 - 1 - Peak 11128 from cnoeabs.peaks (2.09, 1.40, 40.94 ppm; 4.60 A): 4 out of 16 assignments used, quality = 0.95: HB2 GLU 111 + HB3 LEU 114 OK 72 90 - 80 - 3.0/8240=27, ~8238=23...(13) HB2 GLU 112 + HB3 LEU 114 OK 52 99 - 52 - 3.0/8241=8, 10450/3.1=6...(17) HB3 GLU 112 + HB3 LEU 114 OK 52 99 - 52 - 3.0/8241=8, 10450/3.1=6...(17) HG3 GLU 21 + HB3 LEU 114 OK 30 73 - 41 - 3.0/11224=14, ~10446=9...(8) HG2 GLU 21 - HB3 LEU 114 OK 27 65 - 41 - 3.0/11224=14, ~10446=9...(8) HB3 GLU 66 - HB3 LEU 114 lone 6 99 - 6 - ~11066=1 HG2 GLU 119 - HB3 LEU 114 lone 5 87 - 6 - 11200/3.1=2, 11127/1.8=1 HB3 GLU 69 - HB3 LEU 114 lone 5 100 - 5 - 4.0/7883=2 HB3 PHE 79 - HB3 LEU 114 lone 3 84 - 4 - HB2 GLU 87 - HB3 LEU 114 lone 2 98 - 2 - HB3 MET 121 - HB3 LEU 114 lone 2 90 - 2 - HB2 LYS 94 - HB3 LEU 114 lone 2 65 - 3 - HB2 GLU 103 - HB3 LEU 114 lone 2 100 - 2 - HG2 GLU 52 - HB3 LEU 114 lone 1 87 - 1 - HB3 GLU 91 - HB3 LEU 114 lone 1 61 - 2 - HB3 GLU 92 - HB3 LEU 114 lone 1 61 - 2 - Peak 11129 from cnoeabs.peaks (2.08, 1.65, 26.77 ppm; 4.80 A): 8 out of 39 assignments used, quality = 0.93: HB3 GLU 112 + HG LEU 114 OK 52 97 - 54 - 3.0/11463=10...(14) HB2 GLU 112 + HG LEU 114 OK 51 96 - 53 - 3.0/11463=10...(14) HB2 GLU 87 + HG LEU 90 OK 31 41 - 76 - ~8165=18, ~8167=17...(11) HB2 LYS 94 + HG LEU 90 OK 24 69 - 34 - 3.9/10096=11, ~10101=7...(8) HB3 GLU 91 + HG LEU 90 OK 16 68 - 24 - 4.0/570=15, ~8195=6, ~11569=3 HB3 PHE 79 + HG LEU 64 OK 14 87 - 16 - 4.4/9691=6, ~9907=4...(5) HB2 LYS 94 + HG LEU 64 OK 12 83 - 14 - 3.9/10096=5, 10978/2.1=3...(5) HB3 GLU 66 + HG LEU 90 OK 11 44 - 25 - ~11067=5, ~11064=5...(8) HB3 GLU 112 - HG LEU 64 poor 8 81 - 10 - 3.0/11463=2, 4.0/10397=2 HB2 GLU 112 - HG LEU 64 poor 8 79 - 10 - 3.0/11463=2, 4.0/10397=2 HG2 GLU 119 - HG LEU 114 lone 8 100 - 8 - 11200/2.1=3, 10444/5.2=1 HB2 GLN 28 - HG LEU 114 lone 5 81 - 6 - ~11629=2, ~9239=1 HB2 GLU 103 - HG LEU 90 lone 5 60 - 8 - ~10216=5, ~11099=2 HB3 PHE 79 - HG LEU 114 lone 4 100 - 4 - HB2 LYS 94 - HG LEU 114 lone 4 98 - 4 - HB3 GLU 69 - HG LEU 64 lone 4 67 - 7 - ~11393=2, 4.0/4772=2 HB3 GLU 66 - HG LEU 64 lone 4 54 - 7 - ~11065=2, 5009/5.2=2 HB3 GLU 66 - HG LEU 114 lone 3 70 - 5 - ~11066=2 HB3 GLU 69 - HG LEU 114 lone 3 84 - 4 - HB2 GLN 28 - HG LEU 90 lone 3 52 - 6 - ~9240=2, ~11099=2, ~5805=1 HB3 GLU 112 - HG LEU 90 lone 3 68 - 5 - HB2 GLU 112 - HG LEU 90 lone 3 66 - 5 - HB3 MET 121 - HG LEU 114 lone 3 100 - 3 - HB3 GLU 91 - HG LEU 64 lone 3 81 - 3 - 4.0/570=2 HB3 GLU 91 - HG LEU 114 lone 2 97 - 3 - HB3 MET 121 - HG LEU 64 lone 2 87 - 2 - 8286/3.7=1 HB3 MET 121 - HG LEU 90 lone 2 73 - 3 - HB3 GLU 69 - HG LEU 90 lone 2 55 - 3 - HB2 GLU 13 - HG LEU 114 lone 2 87 - 2 - HB2 GLU 103 - HG LEU 114 lone 2 90 - 2 - HG2 GLU 119 - HG LEU 64 lone 1 87 - 2 - HG2 GLU 119 - HG LEU 90 lone 1 73 - 2 - HB2 GLU 103 - HG LEU 64 lone 1 72 - 2 - HB2 GLU 13 - HG LEU 90 lone 1 57 - 2 - HB2 GLU 87 - HG LEU 114 lone 1 65 - 2 - HB2 GLN 28 - HG LEU 64 lone 1 64 - 2 - HB3 PHE 79 - HG LEU 90 lone 1 73 - 2 - HB2 GLU 13 - HG LEU 64 lone 1 70 - 1 - HB2 GLU 87 - HG LEU 64 lone 1 50 - 2 - Peak 11130 from cnoeabs.peaks (0.68, 1.30, 24.91 ppm; 6.20 A): 3 out of 7 assignments used, quality = 0.94: QD1 ILE 116 + HG3 LYS 115 OK 76 100 - 76 - 4.7/730=31, ~11193=23...(13) QG2 ILE 97 + HG3 LYS 115 OK 49 99 - 49 - 3.0/10131=11, ~10129=8...(12) QD2 LEU 114 + HG3 LYS 115 OK 48 97 - 49 - 4.9/1754=32, 11131/1.8=5...(6) QD1 LEU 55 - HG3 LYS 115 lone 7 97 - 7 - 10223/10225=2, 10230/10228=1 QD2 LEU 4 - HG3 LYS 115 lone 4 100 - 4 - QD1 ILE 56 - HG3 LYS 115 lone 3 73 - 5 - QG2 ILE 56 - HG3 LYS 115 lone 3 70 - 4 - Peak 11131 from cnoeabs.peaks (0.66, 1.56, 24.91 ppm; 6.20 A): 7 out of 15 assignments used, quality = 0.84: QD1 ILE 116 + HG2 LYS 115 OK 47 65 - 72 - 4.7/729=28, 2.1/11193=28...(12) QD2 LEU 114 + HG2 LYS 115 OK 37 96 - 39 - 4.9/1753=21, 11130/1.8=6...(6) QD1 ILE 71 + HG3 LYS 96 OK 14 79 - 17 - 9776/10129=3, 9777/1.8=3...(5) QD1 ILE 71 + HG2 LYS 115 OK 14 96 - 14 - 9776/10129=4, 3.3/9788=2 QD2 LEU 114 + HG2 LYS 65 OK 13 66 - 20 - 4.9/1753=10, ~10806=2 QD1 ILE 71 + HG2 LYS 65 OK 13 66 - 20 - 9784/3.9=6, 10807/5.0=5...(5) QD1 ILE 116 + HG2 LYS 65 OK 13 41 - 31 - 4.7/729=10, 2.1/11193=7...(10) QD1 ILE 56 - HG3 LYS 96 poor 9 87 - 11 - 11249/2.9=3, 9543/3.8=2...(4) QD1 ILE 56 - HG2 LYS 115 lone 5 100 - 5 - QD1 ILE 116 - HG3 LYS 96 lone 4 50 - 8 - 2.1/11193=2, 4.7/7890=2 QD1 ILE 56 - HG2 LYS 65 lone 4 73 - 5 - QD2 LEU 114 - HG3 LYS 96 lone 3 79 - 4 - QD2 LEU 4 - HG2 LYS 115 lone 3 73 - 4 - QD2 LEU 4 - HG3 LYS 96 lone 3 57 - 5 - QD2 LEU 4 - HG2 LYS 65 lone 1 46 - 3 - Peak 11132 from cnoeabs.peaks (0.68, 1.66, 29.55 ppm; 4.48 A): 6 out of 28 assignments used, quality = 0.90: QD1 ILE 116 + HD2 LYS 115 OK 42 100 - 42 - ~11193=10, 10475/4.9=8...(8) QD1 ILE 116 + HD3 LYS 115 OK 42 99 - 42 - ~11193=10, 10475/4.9=8...(8) QG2 ILE 97 + HD2 LYS 115 OK 31 99 - 31 - 3.0/10128=6, ~10131=6...(8) QG2 ILE 97 + HD3 LYS 115 OK 30 98 - 31 - 3.0/10128=6, ~10131=6...(8) QD2 LEU 114 + HD2 LYS 115 OK 22 97 - 22 - 7886/6.0=7, 11130/2.9=5...(5) QD2 LEU 114 + HD3 LYS 115 OK 21 96 - 22 - 7886/6.0=7, 11130/2.9=5...(5) QD1 ILE 116 - HD2 LYS 65 OK 16 99 - 17 - 10475/4.8=3, ~11193=3...(6) QD1 ILE 116 - HD3 LYS 65 OK 16 95 - 17 - 10475/4.8=3, ~11193=3...(6) QG2 ILE 97 - HD2 LYS 65 OK 15 97 - 15 - ~10981=4, 3.0/10128=3...(6) QG2 ILE 97 - HD3 LYS 65 OK 14 94 - 15 - ~10981=4, 3.0/10128=4...(6) QD2 LEU 114 - HD2 LYS 65 OK 10 95 - 11 - 4.9/1756=3, 4.5/1746=1, ~10806=1 QD2 LEU 114 - HD3 LYS 65 poor 10 91 - 11 - 4.9/1755=3, 4.5/1746=1, ~10806=1 QD1 LEU 55 - HD2 LYS 115 lone 3 97 - 3 - QD1 LEU 55 - HD3 LYS 115 lone 3 96 - 3 - QD1 ILE 56 - HD2 LYS 65 lone 2 71 - 3 - QD1 ILE 56 - HD3 LYS 65 lone 2 67 - 3 - QD2 LEU 4 - HD3 LYS 115 lone 2 99 - 2 - QD2 LEU 4 - HD2 LYS 115 lone 2 100 - 2 - QD1 ILE 56 - HD2 LYS 115 lone 2 73 - 2 - QD1 ILE 56 - HD3 LYS 115 lone 2 71 - 2 - QD1 LEU 55 - HD2 LYS 65 lone 2 95 - 2 - QG2 ILE 56 - HD2 LYS 65 lone 2 67 - 2 - QD1 LEU 55 - HD3 LYS 65 lone 2 91 - 2 - QG2 ILE 56 - HD3 LYS 65 lone 1 63 - 2 - QG2 ILE 56 - HD2 LYS 115 lone 1 70 - 2 - QD2 LEU 4 - HD2 LYS 65 lone 1 99 - 1 - QG2 ILE 56 - HD3 LYS 115 lone 1 68 - 2 - QD2 LEU 4 - HD3 LYS 65 lone 1 96 - 1 - Peak 11133 from cnoeabs.peaks (1.96, 3.68, 60.85 ppm; 5.56 A): 2 out of 13 assignments used, quality = 0.90: HB VAL 29 + HA LYS 19 OK 87 100 - 87 - 2.1/9247=43, 2.1/9249=41...(7) HB3 LYS 39 + HA LYS 19 OK 17 97 - 18 - ~7990=6, ~1998=5...(4) HB VAL 104 - HA LYS 19 lone 5 94 - 5 - 2.1/9247=1, ~11031=1 HB3 GLU 52 - HA LYS 19 lone 3 100 - 3 - 11351/10856=2 HB3 LYS 40 - HA LYS 19 lone 2 92 - 3 - HB2 GLU 41 - HA LYS 19 lone 2 99 - 2 - HB3 GLU 41 - HA LYS 19 lone 2 98 - 2 - HB3 MET 42 - HA LYS 19 lone 2 99 - 2 - HB3 GLU 21 - HA LYS 19 lone 2 65 - 2 - ~10897=1 HB3 GLU 128 - HA LYS 19 lone 2 100 - 2 - HB2 LEU 70 - HA LYS 19 lone 1 84 - 2 - HB3 ARG 95 - HA LYS 19 lone 1 77 - 1 - HB3 LYS 96 - HA LYS 19 lone 1 73 - 1 - Peak 11135 from cnoeabs.peaks (5.63, 1.57, 27.37 ppm; 4.71 A): 1 out of 1 assignment used, quality = 0.98: HA LEU 55 + HG LEU 55 OK 98 98 - 100 - 4.3=100 Peak 11136 from cnoeabs.peaks (1.47, 0.74, 26.63 ppm; 3.56 A): 0 out of 16 assignments used, low quality = 0.42: HG12 ILE 57 - QD2 LEU 55 OK 27 96 - 28 - 2.9/11487=6, 1.8/11138=6...(9) HG12 ILE 7 - QD2 LEU 55 OK 20 94 - 22 - ~11557=6, 2510=4...(7) HB3 LEU 6 - QD2 LEU 55 lone 7 92 - 8 - 3.0/2449=3, 3.9/1047=2, 4.6/27=2 HG3 ARG 30 - QD2 LEU 55 lone 4 73 - 6 - 3.0/9261=1, 3.0/9263=1 HB3 LEU 38 - QD2 LEU 55 lone 3 97 - 3 - HG LEU 4 - QD2 LEU 55 lone 3 70 - 4 - 5.3/10665=1 HD2 LYS 53 - QD2 LEU 55 lone 1 87 - 2 - HG3 ARG 118 - QD2 LEU 55 lone 1 77 - 1 - HG3 LYS 20 - QD2 LEU 55 lone 1 96 - 1 - HB3 LEU 45 - QD2 LEU 55 lone 1 65 - 1 - HG2 LYS 39 - QD2 LEU 55 lone 1 90 - 1 - HG2 LYS 106 - QD2 LEU 55 lone 1 96 - 1 - HG3 LYS 73 - QD2 LEU 55 lone 0 92 - 0 - HG3 LYS 49 - QD2 LEU 55 lone 0 92 - 0 - HG2 LYS 49 - QD2 LEU 55 lone 0 92 - 0 - HB2 LEU 74 - QD2 LEU 55 lone 0 100 - 0 - Peak 11137 from cnoeabs.peaks (1.45, 0.68, 26.27 ppm; 2.91 A): 1 out of 1 assignment used, quality = 0.55: HG LEU 4 + QD2 LEU 4 OK 55 55 - 100 - 2.1=100 Peak 11138 from cnoeabs.peaks (0.85, 0.74, 26.63 ppm; 2.92 A): 5 out of 11 assignments used, quality = 0.87: QG2 VAL 22 + QD2 LEU 55 OK 51 99 - 51 - 11118=16, 10874/3.1=11...(10) QG2 ILE 5 + QD2 LEU 55 OK 35 94 - 37 - ~10939=7, 11139/2.1=7...(13) HG13 ILE 5 + QD2 LEU 55 OK 31 99 - 31 - 1.8/11487=7, 11139/2.1=5...(10) HG13 ILE 57 + QD2 LEU 55 OK 23 94 - 24 - 1.8/11136=9, 2.9/11487=4...(8) QG2 ILE 57 + QD2 LEU 55 OK 22 92 - 24 - 3.2/11136=7, 2.1/11487=4...(7) QG2 THR 9 - QD2 LEU 55 lone 8 84 - 9 - 9117=3, 2.1/9108=2, 3.2/11585=1 QD1 LEU 14 - QD2 LEU 55 lone 3 94 - 4 - QG2 ILE 15 - QD2 LEU 55 lone 3 100 - 3 - QG2 VAL 117 - QD2 LEU 55 lone 2 77 - 3 - QG1 VAL 32 - QD2 LEU 55 lone 2 70 - 2 - QG2 VAL 107 - QD2 LEU 55 lone 1 65 - 2 - Peak 11139 from cnoeabs.peaks (0.84, 0.68, 26.27 ppm; 2.78 A): 6 out of 16 assignments used, quality = 0.78: QG2 ILE 5 + QD1 LEU 55 OK 35 100 - 35 - 2.1/10939=11, 9059/4.0=6...(10) QG2 VAL 22 + QD1 LEU 55 OK 31 84 - 37 - 11118/2.1=8, 10874/3.1=8...(9) HG13 ILE 5 + QD1 LEU 55 OK 27 99 - 28 - 2.9/10939=9, 11138/2.1=4...(9) QG2 ILE 57 + QD1 LEU 55 OK 16 100 - 16 - 11138/2.1=3, ~11136=3...(6) QG2 ILE 5 + QD2 LEU 4 OK 11 55 - 21 - 2.1/10939=6, 4.0/14=5...(7) HG13 ILE 57 + QD1 LEU 55 OK 11 65 - 16 - ~11136=5, 11138/2.1=3...(6) HG13 ILE 5 - QD2 LEU 4 poor 6 53 - 11 - 2.9/10939=5, 4.6/14=4 QG2 ILE 15 - QD1 LEU 55 lone 2 98 - 2 - QD1 LEU 14 - QD1 LEU 55 lone 2 65 - 3 - QG2 ILE 15 - QD2 LEU 4 lone 1 52 - 2 - QG2 ILE 57 - QD2 LEU 4 lone 1 55 - 1 - QD1 LEU 14 - QD2 LEU 4 lone 0 29 - 2 - QD2 LEU 82 - QD1 LEU 55 lone 0 73 - 0 - QD2 LEU 82 - QD2 LEU 4 lone 0 34 - 1 - QG2 VAL 22 - QD2 LEU 4 lone 0 40 - 1 - HG13 ILE 57 - QD2 LEU 4 lone 0 29 - 1 - Peak 11141 from cnoeabs.peaks (8.44, 1.56, 27.38 ppm; 5.70 A): 1 out of 1 assignment used, quality = 0.94: H ILE 3 + HG12 ILE 3 OK 94 94 - 100 - 5.0=100 Peak 11142 from cnoeabs.peaks (9.18, 1.57, 27.37 ppm; 5.19 A): 1 out of 2 assignments used, quality = 0.92: H ILE 56 + HG LEU 55 OK 92 99 - 94 - 7574/2.1=43, 335=43...(7) H ILE 56 - HG12 ILE 3 lone 2 95 - 2 - Peak 11143 from cnoeabs.peaks (1.26, 1.26, 28.80 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HD2 LYS 2 + HD2 LYS 2 OK 100 100 - 100 HD3 LYS 53 + HD3 LYS 53 OK 88 88 - 100 Peak 11144 from cnoeabs.peaks (0.97, 0.96, 28.80 ppm; diagonal): 2 out of 2 assignments used, quality = 0.98: * HD3 LYS 2 + HD3 LYS 2 OK 94 94 - 100 HG13 ILE 116 + HG13 ILE 116 OK 74 74 - 100 Peak 11145 from cnoeabs.peaks (1.24, 0.96, 28.80 ppm; 3.56 A): 1 out of 1 assignment used, quality = 0.61: HD2 LYS 2 + HD3 LYS 2 OK 61 61 - 100 - 1.8=100 Peak 11146 from cnoeabs.peaks (2.76, 0.96, 28.80 ppm; 5.27 A): 1 out of 1 assignment used, quality = 1.00: HE2 LYS 2 + HD3 LYS 2 OK 100 100 - 100 - 3.0=100 Peak 11147 from cnoeabs.peaks (2.88, 0.96, 28.80 ppm; 5.28 A): 1 out of 1 assignment used, quality = 1.00: HE3 LYS 2 + HD3 LYS 2 OK 100 100 - 100 - 3.0=100 Peak 11148 from cnoeabs.peaks (0.97, 1.26, 28.80 ppm; 3.30 A): 1 out of 1 assignment used, quality = 0.81: HD3 LYS 2 + HD2 LYS 2 OK 81 81 - 100 - 1.8=100 Peak 11149 from cnoeabs.peaks (2.87, 1.26, 28.80 ppm; 4.94 A): 1 out of 1 assignment used, quality = 0.97: HE3 LYS 2 + HD2 LYS 2 OK 97 97 - 100 - 3.0=100 Peak 11150 from cnoeabs.peaks (2.76, 2.76, 42.47 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HE2 LYS 2 + HE2 LYS 2 OK 100 100 - 100 Peak 11151 from cnoeabs.peaks (2.88, 2.88, 42.47 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HE3 LYS 2 + HE3 LYS 2 OK 100 100 - 100 HB2 ASN 8 + HB2 ASN 8 OK 63 63 - 100 Peak 11152 from cnoeabs.peaks (2.77, 1.26, 28.80 ppm; 5.38 A): 1 out of 1 assignment used, quality = 0.96: HE2 LYS 2 + HD2 LYS 2 OK 96 96 - 100 - 3.0=100 Peak 11153 from cnoeabs.peaks (2.77, 2.88, 42.47 ppm; 3.06 A): 1 out of 1 assignment used, quality = 0.94: HE2 LYS 2 + HE3 LYS 2 OK 94 94 - 100 - 1.8=100 Peak 11154 from cnoeabs.peaks (2.87, 2.76, 42.47 ppm; 3.02 A): 1 out of 1 assignment used, quality = 0.97: HE3 LYS 2 + HE2 LYS 2 OK 97 97 - 100 - 1.8=100 Peak 11155 from cnoeabs.peaks (1.26, 2.76, 42.47 ppm; 4.37 A): 1 out of 1 assignment used, quality = 0.99: HD2 LYS 2 + HE2 LYS 2 OK 99 99 - 100 - 3.0=100 Peak 11156 from cnoeabs.peaks (0.98, 2.76, 42.47 ppm; 4.11 A): 1 out of 1 assignment used, quality = 0.61: HD3 LYS 2 + HE2 LYS 2 OK 61 61 - 100 - 3.0=100 Peak 11157 from cnoeabs.peaks (1.26, 2.88, 42.47 ppm; 4.72 A): 1 out of 1 assignment used, quality = 0.99: HD2 LYS 2 + HE3 LYS 2 OK 99 99 - 100 - 3.0=100 Peak 11158 from cnoeabs.peaks (0.97, 2.88, 42.47 ppm; 4.40 A): 1 out of 1 assignment used, quality = 0.94: HD3 LYS 2 + HE3 LYS 2 OK 94 94 - 100 - 3.0=100 Peak 11159 from cnoeabs.peaks (1.04, 2.88, 42.47 ppm; 5.30 A): 1 out of 1 assignment used, quality = 0.97: HG3 LYS 2 + HE3 LYS 2 OK 97 97 - 100 - 3.9=100 Peak 11160 from cnoeabs.peaks (1.07, 1.07, 25.52 ppm; diagonal): 1 out of 1 assignment used, quality = 0.99: * HG2 LYS 2 + HG2 LYS 2 OK 99 99 - 100 Peak 11161 from cnoeabs.peaks (1.04, 1.03, 25.52 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HG3 LYS 2 + HG3 LYS 2 OK 100 100 - 100 Peak 11162 from cnoeabs.peaks (2.76, 1.07, 25.52 ppm; 5.81 A): 1 out of 1 assignment used, quality = 1.00: HE2 LYS 2 + HG2 LYS 2 OK 100 100 - 100 - 3.9=100 Peak 11163 from cnoeabs.peaks (2.89, 1.07, 25.52 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.96: HE3 LYS 2 + HG2 LYS 2 OK 96 96 - 100 - 3.9=100 Peak 11164 from cnoeabs.peaks (2.76, 1.03, 25.52 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.98: HE2 LYS 2 + HG3 LYS 2 OK 98 98 - 100 - 3.9=100 Peak 11165 from cnoeabs.peaks (2.87, 1.03, 25.52 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.97: HE3 LYS 2 + HG3 LYS 2 OK 97 97 - 100 - 3.9=100 Peak 11166 from cnoeabs.peaks (4.52, 1.03, 25.52 ppm; 5.11 A): 0 out of 4 assignments used, low quality = 0.23: HA ASP 84 - HG3 LYS 2 OK 13 81 - 16 - 11167/1.8=13, ~10019=2 HA GLU 103 - HG3 LYS 2 OK 11 94 - 12 - 11167/1.8=11 HA ASP 36 - HG3 LYS 2 lone 7 100 - 7 - 11167/1.8=6 HA GLN 28 - HG3 LYS 2 lone 3 70 - 5 - 11167/1.8=4 Peak 11167 from cnoeabs.peaks (4.51, 1.07, 25.52 ppm; 5.06 A): 0 out of 4 assignments used, low quality = 0.25: HA ASP 84 - HG2 LYS 2 OK 14 99 - 15 - 11166/1.8=12, ~10019=2 HA GLU 103 - HG2 LYS 2 OK 12 100 - 12 - 11166/1.8=11 HA ASP 36 - HG2 LYS 2 lone 6 84 - 8 - 11166/1.8=7 HA GLN 28 - HG2 LYS 2 lone 4 97 - 4 - 11166/1.8=3 Peak 11168 from cnoeabs.peaks (6.88, 4.34, 58.95 ppm; 5.12 A): 2 out of 5 assignments used, quality = 0.71: H TYR 102 + HA GLU 98 OK 53 99 - 54 - 10166=41, 4.6/10159=14 HE22 GLN 25 + HA GLU 98 OK 39 94 - 41 - 3.5/10160=30, 3.5/6207=9 HE22 GLN 85 - HA GLU 98 lone 9 92 - 10 - 3.5/5678=2, 3.5/5678=2 HE22 GLN 62 - HA GLU 98 lone 2 99 - 2 - HD22 ASN 50 - HA GLU 98 lone 1 97 - 1 - Peak 11183 from cnoeabs.peaks (0.89, 2.95, 41.78 ppm; 3.88 A): 4 out of 35 assignments used, quality = 0.92: QD2 LEU 90 + HE3 LYS 106 OK 49 94 - 52 - 2.1/11572=13, ~11572=9...(14) QD2 LEU 90 + HE2 LYS 106 OK 49 94 - 52 - 2.1/11572=13, ~11572=10...(14) QD1 LEU 90 + HE3 LYS 106 OK 46 87 - 53 - 11568/3.6=15, 11572=13...(13) QD1 LEU 90 + HE2 LYS 106 OK 46 87 - 53 - 11568/3.6=15, 11572=13...(13) QG2 VAL 104 - HE3 LYS 106 lone 7 97 - 7 - 10288/3.6=2, 10286/3.6=2 QG2 VAL 104 - HE2 LYS 106 lone 7 97 - 7 - 10288/3.6=2, 10286/3.6=2 QD2 LEU 38 - HE3 LYS 40 lone 4 68 - 5 - 9392/7.5=4 QD2 LEU 38 - HE2 LYS 106 lone 2 100 - 2 - QD2 LEU 38 - HE3 LYS 106 lone 2 100 - 2 - QD1 LEU 90 - HE3 LYS 20 lone 2 62 - 3 - QD1 LEU 90 - HE2 LYS 20 lone 2 62 - 3 - QD2 LEU 90 - HE3 LYS 20 lone 2 69 - 2 - QD2 LEU 90 - HE2 LYS 20 lone 2 69 - 2 - QG2 VAL 29 - HE2 LYS 106 lone 1 99 - 1 - QG2 VAL 29 - HE3 LYS 106 lone 1 99 - 1 - QD2 LEU 90 - HE3 LYS 40 lone 1 59 - 2 - QG2 VAL 104 - HE3 LYS 40 lone 1 63 - 1 - QD2 LEU 38 - HE2 LYS 20 lone 1 78 - 1 - QD2 LEU 38 - HE3 LYS 20 lone 1 78 - 1 - QD1 LEU 70 - HE3 LYS 106 lone 1 77 - 1 - QD1 LEU 70 - HE2 LYS 106 lone 1 77 - 1 - QD2 LEU 70 - HE3 LYS 106 lone 1 87 - 1 - QD2 LEU 70 - HE2 LYS 106 lone 1 87 - 1 - QG2 VAL 29 - HE3 LYS 40 lone 1 65 - 1 - QD1 LEU 90 - HE3 LYS 40 lone 1 53 - 1 - QD2 LEU 70 - HE2 LYS 20 lone 1 62 - 1 - QD2 LEU 70 - HE3 LYS 20 lone 1 62 - 1 - QG2 VAL 104 - HE3 LYS 20 lone 0 72 - 1 - QG2 VAL 104 - HE2 LYS 20 lone 0 72 - 1 - QG2 VAL 29 - HE3 LYS 20 lone 0 75 - 1 - QG2 VAL 29 - HE2 LYS 20 lone 0 75 - 1 - QD1 LEU 70 - HE3 LYS 20 lone 0 53 - 1 - QD1 LEU 70 - HE2 LYS 20 lone 0 53 - 1 - QD2 LEU 70 - HE3 LYS 40 lone 0 53 - 1 - QD1 LEU 70 - HE3 LYS 40 lone 0 45 - 1 - Peak 11185 from cnoeabs.peaks (1.61, 0.87, 20.76 ppm; 5.06 A): 5 out of 12 assignments used, quality = 0.85: HB ILE 116 + QG2 VAL 107 OK 60 73 - 82 - 11186/2.1=24...(19) HG LEU 63 + QG2 VAL 107 OK 30 98 - 31 - 11186/2.1=8, 11254=6...(9) HG3 LYS 19 + QG2 VAL 107 OK 21 65 - 33 - 3.0/11460=13, 3.8/9198=6...(7) HB2 LEU 82 + QG2 VAL 107 OK 19 97 - 20 - 11186/2.1=8...(5) HB3 LEU 64 + QG2 VAL 107 OK 14 77 - 19 - 1.8/11460=7, 4.2/10297=7 HG LEU 82 - QG2 VAL 107 lone 7 73 - 10 - ~11186=5, 3.0/9967=3 HD3 LYS 77 - QG2 VAL 107 lone 5 94 - 5 - 11186/2.1=1, ~11186=1 HD2 LYS 77 - QG2 VAL 107 lone 5 92 - 5 - 11186/2.1=1, ~11186=1 HG2 LYS 16 - QG2 VAL 107 lone 4 84 - 4 - 11186/2.1=1 HB3 LEU 127 - QG2 VAL 107 lone 3 100 - 3 - 4.2/10296=1 HG3 LYS 40 - QG2 VAL 107 lone 2 98 - 2 - HG2 LYS 73 - QG2 VAL 107 lone 1 70 - 2 - Peak 11186 from cnoeabs.peaks (1.62, 0.76, 21.72 ppm; 3.95 A): 3 out of 9 assignments used, quality = 0.63: HB ILE 116 + QG1 VAL 107 OK 48 87 - 56 - 2.1/11187=13, ~11417=9...(16) HG LEU 63 + QG1 VAL 107 OK 16 100 - 16 - 11254/2.1=5, ~9684=3...(6) HB2 LEU 82 + QG1 VAL 107 OK 15 100 - 15 - 9975/10311=5, 9967/2.1=3...(4) HB3 LEU 64 - QG1 VAL 107 lone 6 90 - 7 - ~11460=3, 11185/2.1=2 HD3 LYS 77 - QG1 VAL 107 lone 3 99 - 3 - HD2 LYS 77 - QG1 VAL 107 lone 3 98 - 3 - HG2 LYS 16 - QG1 VAL 107 lone 2 94 - 3 - HG3 LYS 40 - QG1 VAL 107 lone 1 100 - 1 - HB3 LEU 127 - QG1 VAL 107 lone 1 99 - 1 - Peak 11187 from cnoeabs.peaks (0.03, 0.76, 21.72 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.58: QG2 ILE 116 + QG1 VAL 107 OK 58 65 - 89 - 2.1/11186=25, ~10477=23...(24) Peak 11188 from cnoeabs.peaks (2.35, 4.22, 69.97 ppm; 6.20 A): 0 out of 7 assignments used, low quality = 0.41: HG2 GLN 83 - HB THR 108 OK 34 65 - 52 - ~10001=27, 10000/3.0=20...(4) HG2 GLU 13 - HB THR 108 OK 10 97 - 10 - ~11122=4, ~10326=3, ~10325=2 HG3 GLU 112 - HB THR 108 lone 3 73 - 4 - 11021/11189=2 HG2 GLU 112 - HB THR 108 lone 3 70 - 4 - 11021/11189=2 HG3 GLN 100 - HB THR 108 lone 2 100 - 2 - HB3 TYR 27 - HB THR 108 lone 2 65 - 3 - ~10328=1 HB3 PHE 120 - HB THR 108 lone 2 90 - 2 - Peak 11189 from cnoeabs.peaks (0.87, 4.22, 69.97 ppm; 5.22 A): 6 out of 10 assignments used, quality = 0.89: QG2 VAL 107 + HB THR 108 OK 77 99 - 78 - 4.2/1717=32...(8) QD2 LEU 90 + HB THR 108 OK 20 92 - 22 - 10322/2.1=7, 689/4.0=5...(6) QG1 VAL 32 + HB THR 108 OK 12 99 - 12 - 10322/2.1=4, ~10323=3...(4) HG13 ILE 57 + HB THR 108 OK 12 84 - 15 - ~9561=8, 10322/2.1=3...(4) QD1 LEU 14 + HB THR 108 OK 11 84 - 13 - ~10323=4, 10322/2.1=3...(4) QG2 VAL 117 + HB THR 108 OK 11 97 - 11 - 10354/4.7=4, 10322/2.1=3...(4) QG2 THR 9 - HB THR 108 lone 9 94 - 9 - 10322/2.1=2, ~10331=2...(4) QG2 VAL 104 - HB THR 108 lone 8 87 - 9 - 10322/2.1=3 QD2 LEU 38 - HB THR 108 lone 3 70 - 5 - 10322/2.1=2 QG2 VAL 22 - HB THR 108 lone 3 65 - 4 - Peak 11190 from cnoeabs.peaks (2.12, 4.22, 69.97 ppm; 6.15 A): 2 out of 12 assignments used, quality = 0.95: HB VAL 107 + HB THR 108 OK 82 99 - 83 - 4.4/1717=39, ~10309=30...(6) HG3 GLN 83 + HB THR 108 OK 72 99 - 72 - 10001/3.0=33, ~10000=28...(6) HB3 GLU 92 - HB THR 108 OK 13 81 - 17 - 4.6/2149=9, 688/4.0=2...(5) HB2 GLU 21 - HB THR 108 lone 9 99 - 9 - 11655/4.7=5, 688/4.0=1 HB2 LEU 38 - HB THR 108 lone 7 97 - 8 - ~10322=1, 688/4.0=1 HB2 GLU 91 - HB THR 108 lone 4 99 - 4 - 688/4.0=1 HG2 GLU 21 - HB THR 108 lone 4 77 - 5 - 10352/4.7=2, 7857/4.0=1 HB3 GLU 47 - HB THR 108 lone 4 90 - 4 - HB2 GLU 119 - HB THR 108 lone 4 99 - 4 - HB3 GLU 119 - HB THR 108 lone 4 97 - 4 - HG3 GLU 21 - HB THR 108 lone 3 70 - 5 - 10352/4.7=2 HG2 GLU 41 - HB THR 108 lone 2 87 - 3 - Peak 11191 from cnoeabs.peaks (7.20, 2.74, 38.35 ppm; 6.20 A): 2 out of 3 assignments used, quality = 0.49: HE21 GLN 83 + HB3 ASN 11 OK 28 100 - 28 - 10759/3.5=9, 10759/3.5=9...(4) HE22 GLN 83 + HB3 ASN 11 OK 28 100 - 28 - ~10759=9, 10759/3.5=8...(4) QD PHE 93 - HB3 ASN 11 lone 3 61 - 4 - 10759/3.5=1, 10759/3.5=1 Peak 11192 from cnoeabs.peaks (1.65, 3.99, 59.36 ppm; 3.68 A): 2 out of 14 assignments used, quality = 0.77: HG LEU 114 + HA GLU 111 OK 74 99 - 74 - 2.1/11422=25...(11) HD2 LYS 115 + HA GLU 111 OK 10 94 - 11 - 10397/3.6=2, 6.0/2196=2...(6) HG LEU 64 - HA GLU 111 lone 9 99 - 10 - 2.1/11422=3, 2.1/11422=2...(5) HD3 LYS 115 - HA GLU 111 poor 9 87 - 11 - 10397/3.6=2, 6.0/2196=2...(6) HB ILE 116 - HA GLU 111 poor 7 70 - 10 - 3.2/11423=3, 3.9/2202=2 HB3 LEU 64 - HA GLU 111 lone 4 65 - 6 - 3.1/11422=2, 3.1/11422=2 HD3 LYS 65 - HA GLU 111 lone 4 99 - 4 - 10397/3.6=1 HD2 LYS 65 - HA GLU 111 lone 4 97 - 4 - 10397/3.6=1 HG LEU 90 - HA GLU 111 lone 3 96 - 3 - HB ILE 5 - HA GLU 111 lone 3 100 - 3 - HB2 ARG 30 - HA GLU 111 lone 1 97 - 1 - HD3 LYS 49 - HA GLU 111 lone 1 98 - 1 - HD2 LYS 49 - HA GLU 111 lone 1 98 - 1 - HB2 GLU 52 - HA GLU 111 lone 1 94 - 1 - Peak 11193 from cnoeabs.peaks (0.98, 1.56, 24.91 ppm; 5.35 A): 2 out of 6 assignments used, quality = 0.52: HG13 ILE 116 + HG2 LYS 115 OK 45 87 - 52 - 4.5/729=24, ~11130=10...(9) HG13 ILE 116 + HG2 LYS 65 OK 12 57 - 21 - 4.5/729=8, 11194/3.9=3...(6) QD1 ILE 3 - HG2 LYS 115 lone 7 84 - 9 - 4659/10463=2...(3) QD1 ILE 3 - HG2 LYS 65 poor 6 55 - 11 - 4659/11376=5...(4) HG13 ILE 116 - HG3 LYS 96 lone 4 70 - 5 - 4.5/7890=1 QD1 ILE 3 - HG3 LYS 96 lone 2 67 - 4 - Peak 11194 from cnoeabs.peaks (3.79, 0.97, 28.89 ppm; 6.18 A): 2 out of 10 assignments used, quality = 0.98: HA ALA 113 + HG13 ILE 116 OK 92 94 - 98 - 10413=37, 10417/3.2=35...(17) HA LYS 115 + HG13 ILE 116 OK 76 94 - 81 - 3.6/1764=44...(11) HA LYS 65 - HG13 ILE 116 OK 33 100 - 34 - 10469/4.0=6, 10471/3.2=6...(8) HB2 SER 58 - HG13 ILE 116 lone 6 90 - 6 - ~9603=1, 9598/2.9=1 HA LEU 68 - HG13 ILE 116 lone 5 87 - 6 - HA ALA 113 - HD3 LYS 2 lone 2 69 - 3 - 10413=1 HA LYS 65 - HD3 LYS 2 lone 2 77 - 3 - HA LEU 68 - HD3 LYS 2 lone 2 62 - 3 - HA LYS 115 - HD3 LYS 2 lone 2 69 - 2 - HB2 SER 58 - HD3 LYS 2 lone 2 64 - 2 - Peak 11195 from cnoeabs.peaks (0.76, 3.26, 67.50 ppm; 3.69 A): 3 out of 11 assignments used, quality = 0.53: QD1 ILE 7 + HA VAL 117 OK 32 92 - 35 - 9077=10, 9076/3.0=7...(8) QG2 ILE 7 + HA VAL 117 OK 23 84 - 28 - 3.3/9077=11, 11583/3.2=4...(7) QD1 ILE 15 + HA VAL 117 OK 10 97 - 11 - 2714/8276=3, 4.2/8276=3 QG1 VAL 107 - HA VAL 117 poor 10 98 - 10 - 10298/3.0=5...(3) QD1 LEU 63 - HA VAL 117 lone 6 73 - 8 - ~10521=2, ~11254=1, ~10522=1 QD2 LEU 14 - HA VAL 117 lone 2 98 - 2 - QG2 ILE 54 - HA VAL 117 lone 2 90 - 2 - QG2 VAL 32 - HA VAL 117 lone 2 98 - 2 - QD2 LEU 80 - HA VAL 117 lone 1 61 - 2 - QD1 LEU 45 - HA VAL 117 lone 1 100 - 1 - QD1 LEU 80 - HA VAL 117 lone 1 65 - 1 - Peak 11196 from cnoeabs.peaks (7.66, 1.48, 28.01 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.99: HE ARG 118 + HG3 ARG 118 OK 99 99 - 100 - 3.9=100 Peak 11197 from cnoeabs.peaks (7.67, 1.73, 28.01 ppm; 5.93 A): 1 out of 1 assignment used, quality = 1.00: HE ARG 118 + HG2 ARG 118 OK 100 100 - 100 - 3.9=100 Peak 11198 from cnoeabs.peaks (7.91, 1.73, 28.01 ppm; 6.20 A): 1 out of 3 assignments used, quality = 0.75: H GLU 119 + HG2 ARG 118 OK 75 84 - 89 - 3.6/6855=36, 749/3.0=29...(10) H GLY 75 - HG2 ARG 118 lone 2 57 - 4 - 1961/4.5=1 HD21 ASN 88 - HG2 ARG 118 lone 1 77 - 2 - Peak 11199 from cnoeabs.peaks (0.03, 2.11, 28.96 ppm; 5.35 A): 2 out of 4 assignments used, quality = 0.98: QG2 ILE 116 + HB3 GLU 119 OK 88 94 - 94 - 10545/4.0=29...(22) QG2 ILE 116 + HB2 GLU 119 OK 87 92 - 94 - 10545/4.0=29...(21) QG2 ILE 116 - HB3 GLU 92 lone 6 84 - 7 - 3.2/8272=1 QG2 ILE 116 - HB2 GLU 91 lone 2 69 - 2 - Peak 11200 from cnoeabs.peaks (0.69, 2.08, 36.01 ppm; 5.11 A): 1 out of 6 assignments used, quality = 0.58: QD1 ILE 116 + HG2 GLU 119 OK 58 99 - 59 - 4.1/10549=29...(8) QG2 ILE 97 - HG2 GLU 119 lone 8 100 - 8 - 10117/1.8=2, 11201/3.0=1...(4) QD2 LEU 114 - HG2 GLU 119 lone 6 77 - 8 - 4.5/10444=2, 3.1/11127=1...(4) QG2 ILE 56 - HG2 GLU 119 lone 3 94 - 3 - QD1 LEU 55 - HG2 GLU 119 lone 3 100 - 3 - QD2 LEU 4 - HG2 GLU 119 lone 2 97 - 2 - Peak 11201 from cnoeabs.peaks (0.69, 2.11, 28.96 ppm; 4.40 A): 2 out of 36 assignments used, quality = 0.75: QD1 ILE 116 + HB3 GLU 119 OK 50 92 - 54 - 11200/3.0=18...(11) QD1 ILE 116 + HB2 GLU 119 OK 49 90 - 55 - 11200/3.0=18...(11) QD2 LEU 81 - HB3 GLU 119 poor 9 73 - 12 - 9959/11199=3...(6) QD2 LEU 81 - HB2 GLU 119 poor 9 71 - 12 - 9959/11199=3...(5) QG2 ILE 97 - HB3 GLU 119 lone 6 96 - 6 - 11200/3.0=2, 10117/3.0=2 QG2 ILE 97 - HB2 GLU 119 lone 6 94 - 6 - 11200/3.0=2, 10117/3.0=2 QD2 LEU 63 - HB3 GLU 119 lone 4 61 - 6 - 11048/3.0=1 QD2 LEU 63 - HB2 GLU 119 lone 4 60 - 6 - 11048/3.0=1 QD2 LEU 63 - HB3 GLU 92 lone 4 52 - 7 - ~10909=2 QD1 ILE 116 - HB3 GLU 92 lone 3 81 - 4 - QG2 ILE 56 - HB3 GLU 119 lone 3 99 - 3 - QG2 ILE 56 - HB2 GLU 119 lone 3 98 - 3 - QD2 LEU 81 - HB3 GLU 92 lone 3 63 - 5 - 9947/4.6=2, 2.1/11607=1 QD2 LEU 114 - HB3 GLU 119 lone 3 57 - 5 - 11200/3.0=2 QD2 LEU 114 - HB2 GLU 119 lone 3 56 - 5 - 11200/3.0=2 QG2 ILE 56 - HB2 GLU 91 lone 2 76 - 3 - ~9549=1 QD1 ILE 57 - HB3 GLU 119 lone 2 70 - 3 - QD2 LEU 63 - HB2 GLU 91 lone 2 41 - 4 - ~10909=1, ~11663=1 QD1 ILE 57 - HB2 GLU 119 lone 2 68 - 3 - QD1 LEU 55 - HB3 GLU 119 lone 2 98 - 2 - QD1 LEU 55 - HB2 GLU 119 lone 1 97 - 2 - QG2 ILE 97 - HB3 GLU 92 lone 2 86 - 2 - QD2 LEU 4 - HB3 GLU 119 lone 1 87 - 1 - QD1 LEU 55 - HB3 GLU 92 lone 1 89 - 1 - QD2 LEU 4 - HB2 GLU 119 lone 1 85 - 1 - QG2 ILE 56 - HB3 GLU 92 lone 1 91 - 1 - QD1 LEU 55 - HB2 GLU 91 lone 1 74 - 1 - QD1 ILE 116 - HB2 GLU 91 lone 1 66 - 1 - QG2 ILE 97 - HB2 GLU 91 lone 1 71 - 1 - QD2 LEU 114 - HB3 GLU 92 lone 1 48 - 1 - QD1 ILE 57 - HB3 GLU 92 lone 1 59 - 1 - QD2 LEU 4 - HB3 GLU 92 lone 1 76 - 1 - QD2 LEU 81 - HB2 GLU 91 lone 1 50 - 1 - QD2 LEU 114 - HB2 GLU 91 lone 1 38 - 1 - QD2 LEU 4 - HB2 GLU 91 lone 0 62 - 1 - QD1 ILE 57 - HB2 GLU 91 lone 0 47 - 1 - Peak 11202 from cnoeabs.peaks (3.04, 2.08, 36.01 ppm; 5.15 A): 0 out of 3 assignments used, low quality = 0.00: HB3 PHE 93 - HG2 GLU 119 lone 6 99 - 6 - 11203/1.8=2, 4.3/1619=2 HB2 ASN 11 - HG2 GLU 119 lone 2 84 - 2 - 11203/1.8=1 HB2 PHE 51 - HG2 GLU 119 lone 2 84 - 2 - 11203/1.8=1 Peak 11203 from cnoeabs.peaks (3.02, 2.46, 36.01 ppm; 6.20 A): 0 out of 9 assignments used, low quality = 0.00: HB3 PHE 93 - HG3 GLU 119 poor 10 77 - 12 - 11202/1.8=11 HE2 LYS 123 - HG3 GLU 119 lone 7 96 - 8 - ~11213=2, 11213/3.0=2 HE3 LYS 123 - HG3 GLU 119 lone 7 87 - 8 - 11213/3.0=2, ~11213=2 HB2 ASN 11 - HG3 GLU 119 lone 5 98 - 5 - 11202/1.8=4 HB2 PHE 51 - HG3 GLU 119 lone 5 98 - 5 - 11202/1.8=3 HE2 LYS 49 - HG3 GLU 119 lone 5 98 - 5 - ~11213=1, 11213/3.0=1 HE3 LYS 49 - HG3 GLU 119 lone 5 98 - 5 - ~11213=1, 11213/3.0=1 HE2 LYS 94 - HG3 GLU 119 lone 3 100 - 3 - HB2 ASN 59 - HG3 GLU 119 lone 1 81 - 2 - Peak 11205 from cnoeabs.peaks (8.41, 1.75, 29.29 ppm; 5.64 A): 1 out of 3 assignments used, quality = 0.94: H LYS 123 + HD3 LYS 123 OK 94 96 - 98 - 6.2=75, 5.0/7104=34...(10) H MET 67 - HD3 LYS 123 OK 24 81 - 30 - 11206/1.8=8, 7097/2.9=7...(6) H ASP 36 - HD3 LYS 123 poor 9 57 - 15 - 11206/1.8=3, 7097/2.9=3...(6) Peak 11206 from cnoeabs.peaks (8.40, 1.84, 29.29 ppm; 5.87 A): 1 out of 3 assignments used, quality = 0.99: H LYS 123 + HD2 LYS 123 OK 99 99 - 99 - 6.2=85, 1815/1.8=34...(13) H MET 67 - HD2 LYS 123 OK 27 92 - 30 - 7097/2.9=8, 11205/1.8=8...(6) H ASP 36 - HD2 LYS 123 OK 12 73 - 16 - 7097/2.9=4, 11205/1.8=3...(6) Peak 11207 from cnoeabs.peaks (7.10, 1.75, 29.29 ppm; 4.91 A): 1 out of 2 assignments used, quality = 0.71: QE PHE 79 + HD3 LYS 123 OK 71 100 - 71 - 11210/1.8=39...(6) HZ PHE 93 - HD3 LYS 123 lone 5 81 - 6 - 11210/1.8=3 Peak 11208 from cnoeabs.peaks (6.99, 1.75, 29.29 ppm; 6.19 A): 2 out of 2 assignments used, quality = 0.89: HZ PHE 79 + HD3 LYS 123 OK 85 100 - 85 - 2.2/11207=45, ~11210=39...(7) QD TYR 102 + HD3 LYS 123 OK 23 100 - 23 - 11211/1.8=9, 4689/2.9=3...(8) Peak 11209 from cnoeabs.peaks (6.78, 1.75, 29.29 ppm; 6.12 A): 2 out of 2 assignments used, quality = 0.51: QD PHE 120 + HD3 LYS 123 OK 44 84 - 53 - 11212/1.8=31...(6) QD TYR 27 + HD3 LYS 123 OK 11 90 - 12 - 11212/1.8=8, 11057/3.8=3 Peak 11210 from cnoeabs.peaks (7.10, 1.84, 29.29 ppm; 4.69 A): 1 out of 2 assignments used, quality = 0.66: QE PHE 79 + HD2 LYS 123 OK 66 100 - 66 - 11207/1.8=35...(8) HZ PHE 93 - HD2 LYS 123 lone 5 81 - 6 - 11207/1.8=2 Peak 11211 from cnoeabs.peaks (6.98, 1.84, 29.29 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.86: HZ PHE 79 + HD2 LYS 123 OK 81 96 - 85 - 2.2/11210=46, ~11207=38...(7) QD TYR 102 + HD2 LYS 123 OK 24 100 - 24 - 11208/1.8=9, 11056/3.8=4...(8) Peak 11212 from cnoeabs.peaks (6.77, 1.84, 29.29 ppm; 6.20 A): 2 out of 4 assignments used, quality = 0.48: QD PHE 120 + HD2 LYS 123 OK 42 70 - 60 - 11209/1.8=34...(7) QD TYR 27 + HD2 LYS 123 OK 10 77 - 13 - 11209/1.8=9, 11057/3.8=2 HE22 GLN 100 - HD2 LYS 123 lone 1 70 - 2 - HD22 ASN 59 - HD2 LYS 123 lone 1 70 - 2 - Peak 11213 from cnoeabs.peaks (2.11, 3.01, 41.78 ppm; 4.17 A): 0 out of 80 assignments used, low quality = 0.00: HB3 GLU 119 - HE3 LYS 123 lone 5 97 - 5 - ~11203=2, 3.0/11203=2 HB2 GLU 87 - HE2 LYS 94 lone 4 63 - 7 - 11299/3.0=2, 11299/3.0=2 HB3 GLU 119 - HE2 LYS 123 lone 4 94 - 5 - 3.0/11203=2, ~11203=2 HB2 GLU 119 - HE3 LYS 123 lone 4 92 - 5 - ~11203=2, 3.0/11203=2 HB2 GLU 119 - HE2 LYS 123 lone 4 89 - 5 - 3.0/11203=2, ~11203=2 HB3 GLU 66 - HE3 LYS 123 lone 3 81 - 4 - ~7128=1 HB3 GLU 66 - HE2 LYS 123 lone 3 77 - 4 - ~7128=1 HB2 GLU 91 - HE2 LYS 94 lone 3 47 - 6 - ~11106=2 HB3 GLU 119 - HE2 LYS 49 lone 3 90 - 3 - ~11203=1, 3.0/11203=1 HB3 GLU 119 - HE3 LYS 49 lone 3 90 - 3 - ~11203=1, 3.0/11203=1 HB2 GLU 119 - HE2 LYS 49 lone 3 84 - 3 - ~11203=1, 3.0/11203=1 HB2 GLU 119 - HE3 LYS 49 lone 3 84 - 3 - ~11203=1, 3.0/11203=1 HB VAL 107 - HE3 LYS 123 lone 2 94 - 2 - HB VAL 107 - HE2 LYS 123 lone 2 91 - 2 - HG2 GLU 21 - HE3 LYS 123 lone 2 100 - 2 - HG2 GLU 21 - HE2 LYS 123 lone 2 99 - 2 - HG3 GLU 21 - HE3 LYS 123 lone 2 100 - 2 - HG3 GLU 21 - HE2 LYS 123 lone 2 98 - 2 - HB2 LEU 38 - HE2 LYS 94 lone 2 77 - 2 - HB2 LEU 38 - HE3 LYS 123 lone 2 97 - 2 - HB2 LEU 38 - HE2 LYS 123 lone 2 94 - 2 - HB2 LEU 38 - HE2 LYS 49 lone 1 90 - 2 - HB2 LEU 38 - HE3 LYS 49 lone 1 90 - 2 - HB VAL 107 - HE2 LYS 94 lone 1 73 - 2 - 7857/6.9=1 HB3 GLU 119 - HE2 LYS 94 lone 1 77 - 2 - HB3 GLU 92 - HE3 LYS 123 lone 1 100 - 1 - HB3 GLU 92 - HE2 LYS 123 lone 1 99 - 1 - HB2 GLU 119 - HE2 LYS 94 lone 1 71 - 2 - HB3 GLU 47 - HE2 LYS 94 lone 1 82 - 1 - HG2 GLU 52 - HE3 LYS 123 lone 1 97 - 1 - HB3 GLU 92 - HE2 LYS 94 lone 1 83 - 1 - HG3 GLN 83 - HE2 LYS 49 lone 1 84 - 1 - HG3 GLN 83 - HE3 LYS 49 lone 1 84 - 1 - HB2 GLU 21 - HE3 LYS 123 lone 1 94 - 1 - HG2 GLU 52 - HE2 LYS 123 lone 1 94 - 1 - HB3 GLU 69 - HE3 LYS 123 lone 1 65 - 1 - HB2 GLU 21 - HE2 LYS 123 lone 1 91 - 1 - HB3 GLU 69 - HE2 LYS 123 lone 1 62 - 1 - HB VAL 107 - HE2 LYS 49 lone 1 87 - 1 - HB VAL 107 - HE3 LYS 49 lone 1 87 - 1 - HG3 GLN 83 - HE3 LYS 123 lone 1 92 - 1 - HG2 GLU 52 - HE3 LYS 49 lone 1 90 - 1 - HG2 GLU 52 - HE2 LYS 49 lone 1 90 - 1 - HG3 GLN 83 - HE2 LYS 123 lone 1 89 - 1 - HB2 GLU 111 - HE3 LYS 123 lone 1 96 - 1 - HB2 GLU 111 - HE2 LYS 123 lone 1 93 - 1 - HB2 GLU 87 - HE3 LYS 123 lone 1 84 - 1 - HB2 GLU 87 - HE2 LYS 123 lone 1 80 - 1 - HG2 GLU 21 - HE2 LYS 49 lone 1 96 - 1 - HG2 GLU 21 - HE3 LYS 49 lone 1 96 - 1 - HG3 GLU 21 - HE3 LYS 49 lone 1 95 - 1 - HG3 GLU 21 - HE2 LYS 49 lone 1 95 - 1 - HG3 GLN 83 - HE2 LYS 94 lone 1 71 - 1 - HB3 GLU 47 - HE3 LYS 123 lone 1 100 - 1 - HB2 GLU 111 - HE3 LYS 49 lone 1 89 - 1 - HB2 GLU 111 - HE2 LYS 49 lone 1 89 - 1 - HB3 GLU 47 - HE2 LYS 123 lone 1 98 - 1 - HB3 GLU 92 - HE2 LYS 49 lone 1 96 - 1 - HB3 GLU 92 - HE3 LYS 49 lone 1 96 - 1 - HG2 GLU 21 - HE2 LYS 94 lone 1 83 - 1 - HB3 GLU 47 - HE3 LYS 49 lone 1 95 - 1 - HB3 GLU 47 - HE2 LYS 49 lone 1 95 - 1 - HG2 GLU 52 - HE2 LYS 94 lone 1 77 - 1 - HG3 GLU 21 - HE2 LYS 94 lone 1 82 - 1 - HB2 GLU 21 - HE2 LYS 49 lone 0 87 - 1 - HB2 GLU 21 - HE3 LYS 49 lone 0 87 - 1 - HB2 GLU 111 - HE2 LYS 94 lone 0 75 - 1 - HB2 GLU 21 - HE2 LYS 94 lone 0 73 - 1 - HB2 GLU 87 - HE2 LYS 49 lone 0 76 - 1 - HB2 GLU 87 - HE3 LYS 49 lone 0 76 - 1 - HB3 GLU 69 - HE2 LYS 94 lone 0 47 - 1 - HB3 GLU 66 - HE2 LYS 94 lone 0 60 - 1 - HB2 GLU 91 - HE3 LYS 123 lone 0 65 - 1 - HB3 GLU 66 - HE2 LYS 49 lone 0 73 - 1 - HB3 GLU 66 - HE3 LYS 49 lone 0 73 - 1 - HB2 GLU 91 - HE2 LYS 123 lone 0 62 - 1 - HB2 GLU 91 - HE3 LYS 49 lone 0 58 - 1 - HB2 GLU 91 - HE2 LYS 49 lone 0 58 - 1 - HB3 GLU 69 - HE2 LYS 49 lone 0 58 - 1 - HB3 GLU 69 - HE3 LYS 49 lone 0 58 - 1 - Peak 11214 from cnoeabs.peaks (2.58, 1.01, 25.52 ppm; 5.21 A): 1 out of 6 assignments used, quality = 0.79: HE3 LYS 77 + QD1 LEU 127 OK 79 94 - 85 - 1.8/11215=41...(8) HB3 ASP 60 - QD1 LEU 127 lone 7 70 - 10 - ~9638=3, ~9639=2...(4) HG2 MET 67 - QD1 LEU 127 lone 6 65 - 10 - ~9707=4, ~9717=2...(4) HB2 ASP 84 - QD1 LEU 127 lone 1 100 - 1 - HG3 MET 1 - QD1 LEU 127 lone 1 70 - 1 - HB3 ASP 86 - QD1 LEU 127 lone 1 61 - 1 - Peak 11215 from cnoeabs.peaks (2.83, 1.01, 25.52 ppm; 4.83 A): 1 out of 8 assignments used, quality = 0.72: HE2 LYS 77 + QD1 LEU 127 OK 72 94 - 77 - 1.8/11214=29...(8) HB3 TYR 76 - QD1 LEU 127 lone 2 81 - 2 - HE2 LYS 17 - QD1 LEU 127 lone 1 81 - 1 - HB2 ASP 36 - QD1 LEU 127 lone 1 96 - 1 - HB2 ASN 88 - QD1 LEU 127 lone 1 73 - 1 - HB3 ASN 10 - QD1 LEU 127 lone 1 70 - 1 - HB2 ASP 109 - QD1 LEU 127 lone 1 65 - 1 - HB3 GLN 25 - QD1 LEU 127 lone 1 61 - 1 - Peak 11216 from cnoeabs.peaks (1.68, 2.36, 36.01 ppm; 4.48 A): 0 out of 18 assignments used, low quality = 0.00: HD2 LYS 17 - HG2 GLU 13 lone 9 99 - 9 - 6.3/7351=4, 2860/66=4 HB ILE 54 - HG2 GLU 13 lone 7 99 - 7 - ~10909=3, 4.4/11715=2 HD3 LYS 115 - HG2 GLU 13 lone 4 70 - 6 - ~11467=2, 11467/1.8=1 HD2 LYS 16 - HG2 GLU 13 lone 4 94 - 4 - 3699/4.1=1, 7370/66=1 HD3 LYS 16 - HG2 GLU 13 lone 4 87 - 4 - 3699/4.1=1, 7370/66=1 HD3 LYS 40 - HG2 GLU 13 lone 2 99 - 2 - HD2 LYS 40 - HG2 GLU 13 lone 2 99 - 2 - HD3 LYS 20 - HG2 GLU 13 lone 1 92 - 1 - HD2 LYS 20 - HG2 GLU 13 lone 1 90 - 1 - HD2 LYS 96 - HG2 GLU 13 lone 1 99 - 1 - HD3 LYS 96 - HG2 GLU 13 lone 1 98 - 1 - HD2 LYS 73 - HG2 GLU 13 lone 1 96 - 1 - HD2 LYS 43 - HG2 GLU 13 lone 1 100 - 1 - HD3 LYS 43 - HG2 GLU 13 lone 1 97 - 1 - HD3 LYS 73 - HG2 GLU 13 lone 1 97 - 1 - HG3 ARG 95 - HG2 GLU 13 lone 1 100 - 1 - HB ILE 56 - HG2 GLU 13 lone 1 87 - 1 - HG12 ILE 71 - HG2 GLU 13 lone 1 70 - 1 - Peak 11217 from cnoeabs.peaks (1.60, 3.84, 60.17 ppm; 3.53 A): 4 out of 9 assignments used, quality = 0.92: HG3 LYS 19 + HA LYS 16 OK 60 100 - 60 - 3.0/7989=22, 3.0/7991=20...(10) HD3 LYS 19 + HA LYS 16 OK 51 99 - 52 - 3.6/7989=19, 3.6/7991=17...(8) HD2 LYS 19 + HA LYS 16 OK 51 99 - 52 - 3.6/7989=19, 3.6/7991=17...(8) HG2 LYS 73 + HA LYS 16 OK 19 100 - 19 - 7671/3.0=5, ~7672=2...(6) HG LEU 82 - HA LYS 16 lone 4 100 - 4 - 456/3.0=1 HG2 LYS 44 - HA LYS 16 lone 2 70 - 3 - HG LEU 68 - HA LYS 16 lone 1 90 - 1 - HG12 ILE 116 - HA LYS 16 lone 1 77 - 1 - HB3 LEU 127 - HA LYS 16 lone 0 81 - 1 - Peak 11218 from cnoeabs.peaks (0.80, 2.90, 41.78 ppm; 4.02 A): 3 out of 40 assignments used, quality = 0.50: QD1 LEU 114 + HE3 LYS 17 OK 38 99 - 38 - 11515/2.9=13, ~11514=9...(9) QD1 LEU 114 + HE3 LYS 115 OK 10 84 - 12 - 723/7.2=4, 10806/4.8=2...(4) QD1 LEU 114 + HE2 LYS 115 OK 10 84 - 12 - 723/7.2=4, 10806/4.8=2...(4) QD1 LEU 81 - HE3 LYS 115 lone 5 72 - 7 - 11606/6.2=2, 10806/4.8=1 QD1 LEU 81 - HE2 LYS 115 lone 5 72 - 7 - 11606/6.2=2, 10806/4.8=1 QD1 LEU 64 - HE3 LYS 115 lone 4 64 - 6 - 723/7.2=1, 4.7/38=1 QD1 LEU 64 - HE2 LYS 115 lone 4 64 - 6 - 723/7.2=1, 4.7/38=1 QD2 LEU 64 - HE3 LYS 115 lone 3 54 - 5 - 4.7/38=1 QD2 LEU 64 - HE2 LYS 115 lone 3 54 - 5 - 4.7/38=1 QG2 ILE 71 - HE3 LYS 17 lone 3 70 - 4 - QD1 LEU 114 - HE2 LYS 16 lone 3 80 - 3 - QD1 LEU 114 - HE3 LYS 16 lone 3 80 - 3 - QD1 LEU 74 - HE2 LYS 16 lone 2 51 - 5 - 11277/5.1=2, 11277/5.1=2 QD1 LEU 74 - HE3 LYS 16 lone 2 51 - 5 - 11277/5.1=2, 11277/5.1=2 QD1 LEU 64 - HE3 LYS 17 lone 2 81 - 2 - QD1 LEU 81 - HE3 LYS 17 lone 2 90 - 2 - QG2 ILE 71 - HE2 LYS 115 lone 1 54 - 2 - QG2 ILE 71 - HE3 LYS 115 lone 1 54 - 2 - QG1 VAL 29 - HE3 LYS 115 lone 1 87 - 1 - QG1 VAL 29 - HE2 LYS 115 lone 1 87 - 1 - QD2 LEU 64 - HE3 LYS 17 lone 1 70 - 2 - QD1 LEU 64 - HE2 LYS 16 lone 1 60 - 1 - QD1 LEU 64 - HE3 LYS 16 lone 1 60 - 1 - QD1 LEU 81 - HE2 LYS 16 lone 1 68 - 1 - QD1 LEU 81 - HE3 LYS 16 lone 1 68 - 1 - QG1 VAL 29 - HE3 LYS 17 lone 1 100 - 1 - QG2 ILE 71 - HE3 LYS 16 lone 1 51 - 1 - QG2 ILE 71 - HE2 LYS 16 lone 1 51 - 1 - QG1 VAL 29 - HE2 LYS 16 lone 1 83 - 1 - QG1 VAL 29 - HE3 LYS 16 lone 1 83 - 1 - QD1 LEU 74 - HE2 LYS 115 lone 1 54 - 1 - QD1 LEU 74 - HE3 LYS 115 lone 1 54 - 1 - QD2 LEU 74 - HE2 LYS 16 lone 1 44 - 1 - QD2 LEU 74 - HE3 LYS 16 lone 1 44 - 1 - QD2 LEU 64 - HE3 LYS 16 lone 1 51 - 1 - QD2 LEU 64 - HE2 LYS 16 lone 1 51 - 1 - QD2 LEU 74 - HE2 LYS 115 lone 0 47 - 1 - QD2 LEU 74 - HE3 LYS 115 lone 0 47 - 1 - QD1 LEU 74 - HE3 LYS 17 lone 0 70 - 1 - QD2 LEU 74 - HE3 LYS 17 lone 0 61 - 1 - Peak 11220 from cnoeabs.peaks (3.84, 1.59, 29.87 ppm; 4.52 A): 4 out of 6 assignments used, quality = 0.95: HA LYS 16 + HD3 LYS 19 OK 72 99 - 73 - 7989/3.6=29, 7991/3.6=25...(9) HA LYS 16 + HD2 LYS 19 OK 72 99 - 73 - 7989/3.6=29, 7991/3.6=25...(9) HA LYS 39 + HD3 LYS 19 OK 16 100 - 16 - 7990/3.6=6, 7992/3.6=5...(4) HA LYS 39 + HD2 LYS 19 OK 16 100 - 16 - 7990/3.6=6, 7992/3.6=5...(4) HA2 GLY 75 - HD3 LYS 19 lone 6 100 - 6 - 7990/3.6=2, 7992/3.6=2 HA2 GLY 75 - HD2 LYS 19 lone 6 100 - 6 - 7990/3.6=2, 7992/3.6=2 Peak 11221 from cnoeabs.peaks (1.04, 2.76, 42.47 ppm; 4.24 A): 1 out of 1 assignment used, quality = 1.00: HG3 LYS 2 + HE2 LYS 2 OK 100 100 - 100 - 3.9=100 Peak 11222 from cnoeabs.peaks (1.87, 2.76, 42.47 ppm; 6.20 A): 3 out of 14 assignments used, quality = 0.74: HG LEU 45 + HE2 LYS 2 OK 67 96 - 70 - ~9437=35, ~9440=21...(5) HB2 LEU 63 + HE2 LYS 2 OK 14 100 - 13 - 3.1/11504=4, 11259/3.0=3...(6) QE MET 42 + HE2 LYS 2 OK 10 96 - 11 - 11685/3.9=2, 6.1/1270=2...(5) QE MET 67 - HE2 LYS 2 lone 5 98 - 5 - HG2 ARG 95 - HE2 LYS 2 lone 2 100 - 2 - HB ILE 7 - HE2 LYS 2 lone 2 65 - 3 - HB2 LYS 16 - HE2 LYS 2 lone 2 98 - 2 - HB3 LYS 16 - HE2 LYS 2 lone 2 97 - 2 - HB3 ARG 118 - HE2 LYS 2 lone 2 100 - 2 - HB2 ARG 105 - HE2 LYS 2 lone 1 70 - 2 - HB3 LYS 20 - HE2 LYS 2 lone 1 73 - 2 - HB2 LYS 20 - HE2 LYS 2 lone 1 73 - 2 - HG LEU 127 - HE2 LYS 2 lone 1 73 - 2 - HB3 LYS 73 - HE2 LYS 2 lone 1 57 - 2 - Peak 11224 from cnoeabs.peaks (1.40, 1.97, 29.43 ppm; 5.89 A): 2 out of 5 assignments used, quality = 0.59: HB3 LEU 114 + HB3 GLU 21 OK 49 100 - 49 - 3.1/10446=17, ~10440=8...(9) QB ALA 113 + HB3 GLU 21 OK 20 90 - 22 - 9187/8006=5, 10428/3.0=4...(9) HG3 LYS 16 - HB3 GLU 21 lone 4 100 - 4 - HG3 LYS 106 - HB3 GLU 21 lone 2 100 - 2 - HB3 LEU 68 - HB3 GLU 21 lone 1 65 - 2 - Peak 11225 from cnoeabs.peaks (0.10, 4.43, 58.05 ppm; 5.28 A): 1 out of 1 assignment used, quality = 0.73: HB2 LYS 53 + HA TYR 27 OK 73 98 - 74 - 1.8/11226=48...(3) Peak 11226 from cnoeabs.peaks (1.13, 4.43, 58.05 ppm; 4.39 A): 1 out of 1 assignment used, quality = 0.57: HB3 LYS 53 + HA TYR 27 OK 57 100 - 57 - 9465=32, 1.8/11225=28 Peak 11227 from cnoeabs.peaks (0.74, 1.98, 29.83 ppm; 4.48 A): 4 out of 20 assignments used, quality = 0.93: QD2 LEU 55 + HB VAL 22 OK 76 100 - 77 - 2.1/11246=22, 11245=19...(10) HG13 ILE 18 + HB VAL 22 OK 53 94 - 56 - 11118/2.1=12, 3.8/8005=8...(13) QD2 LEU 45 + HB3 ARG 95 OK 26 46 - 56 - 4026/3.0=9, ~6027=9...(14) QD1 LEU 45 + HB3 ARG 95 OK 19 39 - 50 - ~6027=9, ~4013=8...(13) QG1 VAL 117 - HB VAL 22 lone 7 70 - 9 - 11118/2.1=2...(5) QG2 ILE 7 - HB VAL 22 lone 4 98 - 4 - 11118/2.1=2 QD1 LEU 63 - HB VAL 22 lone 4 100 - 4 - QD2 LEU 6 - HB VAL 22 lone 3 100 - 3 - 11118/2.1=1 QG2 ILE 54 - HB VAL 22 lone 3 96 - 3 - 4389/2.1=1 QD2 LEU 45 - HB VAL 22 lone 2 84 - 2 - QD1 LEU 45 - HB VAL 22 lone 2 73 - 3 - QD1 LEU 63 - HB3 ARG 95 lone 2 62 - 3 - QG2 VAL 78 - HB VAL 22 lone 2 84 - 2 - QD2 LEU 55 - HB3 ARG 95 lone 1 62 - 2 - HG13 ILE 18 - HB3 ARG 95 lone 1 54 - 2 - QG2 VAL 78 - HB3 ARG 95 lone 1 46 - 2 - QD2 LEU 6 - HB3 ARG 95 lone 1 62 - 1 - QG2 ILE 7 - HB3 ARG 95 lone 1 59 - 1 - QG2 ILE 54 - HB3 ARG 95 lone 1 56 - 1 - QG1 VAL 117 - HB3 ARG 95 lone 0 36 - 1 - Peak 11229 from cnoeabs.peaks (2.90, 2.73, 36.55 ppm; 5.13 A): 2 out of 13 assignments used, quality = 0.53: HB2 ASN 33 + HG3 GLU 37 OK 34 84 - 41 - 4.0/9354=22, 4.6/9355=15...(4) HB2 ASP 34 + HG3 GLU 37 OK 28 87 - 33 - 4.0/9355=16...(4) HB3 ASN 88 - HG3 GLU 37 lone 5 96 - 5 - 4.2/7465=1, 11084/3.0=1 HE3 LYS 16 - HG3 GLU 37 lone 2 84 - 3 - 7.4/9355=1 HE2 LYS 16 - HG3 GLU 37 lone 2 84 - 3 - 7.4/9355=1 HE3 LYS 115 - HG3 GLU 37 lone 2 87 - 2 - HE2 LYS 115 - HG3 GLU 37 lone 2 87 - 2 - HE3 LYS 17 - HG3 GLU 37 lone 2 100 - 2 - HB2 ASN 8 - HG3 GLU 37 lone 2 98 - 2 - HB2 ASN 10 - HG3 GLU 37 lone 2 94 - 2 - HE3 LYS 2 - HG3 GLU 37 lone 1 73 - 2 - HE2 LYS 65 - HG3 GLU 37 lone 1 61 - 1 - HE3 LYS 65 - HG3 GLU 37 lone 1 61 - 1 - Peak 11230 from cnoeabs.peaks (1.89, 3.91, 59.13 ppm; 4.49 A): 5 out of 20 assignments used, quality = 0.84: QE MET 67 + HA LEU 38 OK 51 97 - 53 - 9723/3.8=17, 9729=17...(10) HB2 LEU 63 + HA LEU 38 OK 47 73 - 65 - 3.1/9680=14, ~10957=12...(13) HB ILE 7 + HA LEU 38 OK 20 99 - 20 - 10929/9288=6...(7) HB2 LYS 96 + HA LEU 38 OK 11 81 - 14 - 4.1/8048=5, 7796/3.6=4 HG LEU 45 + HA LEU 38 OK 11 99 - 11 - 2.1/9375=2, ~11526=1...(5) HB2 ARG 95 - HA LEU 38 poor 9 92 - 10 - 4.6/8048=5, 7789/8048=1...(4) HB2 LEU 45 - HA LEU 38 lone 5 70 - 7 - 3.1/9375=2, ~11526=1 HB2 LYS 20 - HA LEU 38 lone 5 100 - 5 - HB3 LYS 20 - HA LEU 38 lone 5 100 - 5 - HG2 ARG 95 - HA LEU 38 lone 4 90 - 5 - 7791/8048=1, 607/8048=1 HB ILE 71 - HA LEU 38 lone 4 94 - 4 - HB2 LYS 16 - HA LEU 38 lone 4 97 - 4 - HB3 LYS 16 - HA LEU 38 lone 4 98 - 4 - HB2 GLU 128 - HA LEU 38 lone 4 81 - 4 - 11026/3.8=1 HB3 LYS 73 - HA LEU 38 lone 3 97 - 3 - HB2 LYS 73 - HA LEU 38 lone 3 96 - 3 - HB3 LYS 43 - HA LEU 38 lone 2 81 - 3 - HB3 LYS 44 - HA LEU 38 lone 2 61 - 3 - 7796/3.6=1 HB2 LYS 49 - HA LEU 38 lone 2 87 - 2 - HB3 ARG 118 - HA LEU 38 lone 1 73 - 1 - Peak 11231 from cnoeabs.peaks (2.21, 1.52, 27.18 ppm; 5.59 A): 3 out of 7 assignments used, quality = 0.86: HB2 MET 67 + HG LEU 38 OK 75 92 - 82 - ~10991=25, ~9711=18...(12) HB3 MET 1 + HG LEU 38 OK 35 77 - 45 - ~10994=12, ~10877=11...(8) HB2 GLU 69 + HG LEU 38 OK 12 87 - 13 - 2.9/9377=2, ~11062=2...(7) HB2 GLN 83 - HG LEU 38 lone 9 100 - 9 - 4.4/3537=7 HB2 GLN 100 - HG LEU 38 lone 2 100 - 2 - HG3 GLN 28 - HG LEU 38 lone 2 90 - 2 - HG2 GLU 48 - HG LEU 38 lone 1 90 - 1 - Peak 11232 from cnoeabs.peaks (1.88, 1.46, 41.07 ppm; 3.91 A): 3 out of 16 assignments used, quality = 0.93: HB2 LEU 63 + HB3 LEU 38 OK 70 97 - 72 - ~11260=11, ~9684=8...(20) QE MET 42 + HB3 LEU 38 OK 55 87 - 63 - 9429=18, 11532/3.1=17...(12) QE MET 67 + HB3 LEU 38 OK 52 100 - 52 - 9723/3.1=17, 9729/2.9=13...(12) HB ILE 7 - HB3 LEU 38 poor 9 81 - 12 - 11230/2.9=2...(6) HG LEU 45 - HB3 LEU 38 lone 9 99 - 9 - 2.1/11526=2, 11230/2.9=1 HB2 LYS 16 - HB3 LEU 38 lone 5 100 - 5 - HB3 LYS 16 - HB3 LEU 38 lone 5 100 - 5 - HG2 ARG 95 - HB3 LEU 38 lone 4 100 - 4 - HB3 LYS 20 - HB3 LEU 38 lone 4 87 - 4 - HB2 LYS 20 - HB3 LEU 38 lone 4 87 - 4 - HB2 ARG 95 - HB3 LEU 38 lone 2 61 - 4 - HB ILE 71 - HB3 LEU 38 lone 2 65 - 3 - 2.1/9789=1 HB3 LYS 73 - HB3 LEU 38 lone 2 73 - 2 - HB2 LYS 73 - HB3 LEU 38 lone 2 70 - 2 - HB3 ARG 118 - HB3 LEU 38 lone 1 97 - 1 - HG LEU 127 - HB3 LEU 38 lone 0 57 - 1 - Peak 11233 from cnoeabs.peaks (4.51, 2.98, 41.78 ppm; 6.20 A): 2 out of 32 assignments used, quality = 0.93: HA ASP 36 + HE3 LYS 39 OK 75 94 - 80 - 10934/3.6=20...(10) HA ASP 36 + HE2 LYS 39 OK 74 93 - 80 - 9346/1.8=20...(10) HA GLU 103 - HE3 LYS 39 OK 23 100 - 22 - 10934/3.6=5, 8039/5.0=3...(7) HA GLU 103 - HE2 LYS 39 OK 22 99 - 22 - 10934/3.6=5, 8039/5.0=3...(7) HA ASP 36 - HE2 LYS 40 OK 14 59 - 24 - 2041/7.5=16, 8038/5.0=4...(4) HA ASP 36 - HE3 LYS 40 OK 12 49 - 24 - 2041/7.5=16, 8038/5.0=4...(4) HA ASP 36 - HE2 LYS 43 lone 5 94 - 5 - HA ASP 36 - HE3 LYS 43 lone 4 87 - 5 - HA ASP 36 - HE2 LYS 73 lone 4 94 - 5 - HA ASP 36 - HE3 LYS 73 lone 4 91 - 5 - HA ASP 84 - HE3 LYS 39 lone 4 96 - 4 - 2035/7.3=1 HA ASP 84 - HE2 LYS 39 lone 4 95 - 4 - 2035/7.3=1 HA GLU 103 - HE2 LYS 40 lone 4 67 - 5 - 2041/7.5=3 HA GLU 103 - HE3 LYS 40 lone 3 56 - 5 - 2041/7.5=3 HA ASP 84 - HE2 LYS 43 lone 3 95 - 3 - HA GLU 103 - HE2 LYS 43 lone 2 100 - 2 - HA ASP 84 - HE3 LYS 43 lone 2 89 - 3 - HA GLU 103 - HE3 LYS 43 lone 2 95 - 2 - HA GLU 103 - HE2 LYS 73 lone 2 100 - 2 - HA GLU 103 - HE3 LYS 73 lone 2 98 - 2 - HA ASP 84 - HE2 LYS 40 lone 2 61 - 3 - 2041/7.5=2 HA ASP 84 - HE2 LYS 73 lone 2 95 - 2 - HA ASP 84 - HE3 LYS 73 lone 2 93 - 2 - HA ASP 84 - HE3 LYS 40 lone 2 51 - 3 - 2041/7.5=2 HA GLN 28 - HE3 LYS 39 lone 2 90 - 2 - HA GLN 28 - HE2 LYS 43 lone 2 89 - 2 - HA GLN 28 - HE2 LYS 73 lone 2 89 - 2 - HA GLN 28 - HE2 LYS 39 lone 2 89 - 2 - HA GLN 28 - HE3 LYS 73 lone 2 86 - 2 - HA GLN 28 - HE3 LYS 43 lone 2 82 - 2 - HA GLN 28 - HE2 LYS 40 lone 1 55 - 2 - HA GLN 28 - HE3 LYS 40 lone 1 46 - 2 - Peak 11235 from cnoeabs.peaks (1.25, 0.64, 25.46 ppm; 4.43 A): 2 out of 6 assignments used, quality = 0.67: HG12 ILE 54 + QD1 LEU 4 OK 63 98 - 64 - 11326/4.4=18...(9) HD3 LYS 53 + QD1 LEU 4 OK 11 84 - 13 - 9469=6, 6.2/10800=2...(4) HD2 LYS 2 - QD1 LEU 4 lone 7 98 - 7 - 9469=3, 4626/9038=1, 11557/2.1=1 HG13 ILE 7 - QD1 LEU 4 lone 5 100 - 5 - 11557/2.1=1, 3.0/10736=1 HG3 LYS 61 - QD1 LEU 4 lone 2 100 - 2 - QG2 THR 108 - QD1 LEU 4 lone 1 97 - 1 - Peak 11236 from cnoeabs.peaks (0.67, 1.95, 28.25 ppm; 6.20 A): 4 out of 14 assignments used, quality = 0.72: QD2 LEU 114 + HB3 GLU 41 OK 30 100 - 30 - 9402/3.0=14, 10446/1.8=7...(4) QD2 LEU 114 + HB2 GLU 41 OK 30 100 - 30 - 9402/3.0=14, 10446/1.8=7...(4) QD1 ILE 56 + HB3 GLU 41 OK 25 98 - 26 - 9402/3.0=14, 11249/1.8=6 QD1 ILE 56 + HB2 GLU 41 OK 25 98 - 25 - 9402/3.0=14, 11249/1.8=6 QG2 ILE 97 - HB3 GLU 41 poor 10 77 - 12 - ~9403=3, ~10126=2...(5) QG2 ILE 97 - HB2 GLU 41 poor 10 77 - 12 - ~9403=3, ~10126=2...(5) QD1 LEU 55 - HB3 GLU 41 poor 8 70 - 12 - ~9401=3, 2.1/9400=2...(5) QD1 LEU 55 - HB2 GLU 41 poor 8 69 - 12 - ~9401=3, 2.1/9400=2...(5) QD1 ILE 71 - HB3 GLU 41 lone 7 84 - 8 - 9402/3.0=5 QD1 ILE 71 - HB2 GLU 41 lone 7 84 - 8 - 9402/3.0=5 QD2 LEU 4 - HB3 GLU 41 lone 7 90 - 8 - 9402/3.0=3, ~9402=2, 7314/4.7=1 QD2 LEU 4 - HB2 GLU 41 lone 7 89 - 8 - 9402/3.0=3, ~9402=2, 7314/4.7=1 QD1 ILE 116 - HB3 GLU 41 lone 2 84 - 3 - QD1 ILE 116 - HB2 GLU 41 lone 2 84 - 3 - Peak 11237 from cnoeabs.peaks (1.92, 2.50, 36.27 ppm; 4.72 A): 2 out of 16 assignments used, quality = 0.55: HB2 LYS 44 + HG3 GLU 47 OK 36 92 - 40 - 3.0/11350=13, ~11238=8...(9) HB3 LYS 44 + HG3 GLU 47 OK 30 77 - 39 - 3.0/11350=13, ~11238=7...(9) HB3 LYS 65 - HG3 GLU 47 lone 4 87 - 5 - 2.9/11239=2 HB2 LYS 65 - HG3 GLU 47 lone 4 84 - 5 - 2.9/11239=2 HB2 LEU 45 - HG3 GLU 47 lone 3 70 - 5 - 9462/5.2=3 HB2 LYS 43 - HG3 GLU 47 lone 3 81 - 4 - HG2 MET 121 - HG3 GLU 47 lone 2 99 - 2 - HB2 LYS 115 - HG3 GLU 47 lone 2 97 - 2 - 3.0/11239=1 HB3 LYS 115 - HG3 GLU 47 lone 2 84 - 2 - 3.0/11239=1 HB3 LYS 123 - HG3 GLU 47 lone 2 97 - 2 - HB2 LYS 123 - HG3 GLU 47 lone 1 84 - 2 - HB2 LEU 81 - HG3 GLU 47 lone 1 100 - 1 - HB ILE 15 - HG3 GLU 47 lone 1 98 - 1 - HB3 LYS 17 - HG3 GLU 47 lone 1 100 - 1 - HB2 LEU 127 - HG3 GLU 47 lone 1 87 - 1 - HB2 LYS 39 - HG3 GLU 47 lone 1 84 - 1 - Peak 11238 from cnoeabs.peaks (1.90, 2.29, 36.27 ppm; 4.12 A): 2 out of 84 assignments used, quality = 0.47: HB3 LYS 44 + HG2 GLU 47 OK 29 94 - 32 - ~11237=9, ~11350=7...(9) HB2 LYS 44 + HG2 GLU 47 OK 24 81 - 31 - ~11237=7, ~11350=7...(9) HB2 LEU 45 - HG2 GLU 47 lone 4 97 - 4 - 9462/5.2=3 HB2 LYS 96 - HG2 GLU 47 lone 4 99 - 4 - ~11350=1 HB2 ARG 95 - HG3 GLU 87 lone 4 68 - 6 - 3.0/11665=2, ~11665=1 HB2 ARG 95 - HG2 GLU 87 lone 4 68 - 6 - 3.0/11665=2, ~11665=1 HB2 ARG 95 - HG2 GLU 47 lone 3 100 - 3 - 9462/5.2=1 HB ILE 7 - HG3 GLU 87 lone 3 65 - 4 - ~10974=1, ~11409=1 HB ILE 7 - HG2 GLU 87 lone 3 65 - 4 - ~10974=1, ~11409=1 HB3 LYS 43 - HG2 GLU 47 lone 3 99 - 3 - HB2 LYS 73 - HG2 GLU 47 lone 3 100 - 3 - 4.0/4056=1 HB3 LYS 73 - HG2 GLU 47 lone 3 100 - 3 - 4.0/4056=1 HB ILE 71 - HG2 GLU 47 lone 2 100 - 2 - 9462/5.2=1 HB2 LYS 43 - HG2 GLU 47 lone 2 92 - 2 - HB2 ARG 95 - HG2 GLU 111 lone 2 56 - 3 - HG LEU 45 - HG2 GLU 47 lone 1 77 - 2 - HB3 LYS 123 - HG2 GLU 47 lone 1 70 - 1 - HB ILE 7 - HG2 GLU 47 lone 1 99 - 1 - HB3 LYS 20 - HG2 GLU 47 lone 1 97 - 1 - HB2 LYS 20 - HG2 GLU 47 lone 1 97 - 1 - HB2 LEU 45 - HG3 GLU 87 lone 1 62 - 1 - HB2 LEU 45 - HG2 GLU 87 lone 1 62 - 1 - HB2 GLU 128 - HG2 GLU 47 lone 1 99 - 1 - HB3 LYS 44 - HG2 GLU 87 lone 1 59 - 1 - HB3 LYS 44 - HG3 GLU 87 lone 1 59 - 1 - HB2 LYS 49 - HG2 GLU 47 lone 1 100 - 1 - HB ILE 71 - HG2 GLU 111 lone 1 55 - 1 - HB ILE 71 - HG2 GLU 87 lone 1 68 - 1 - HB ILE 71 - HG3 GLU 87 lone 1 68 - 1 - HB2 GLU 128 - HG2 GLU 87 lone 1 66 - 1 - HB2 GLU 128 - HG3 GLU 87 lone 1 66 - 1 - HB ILE 15 - HG2 GLU 47 lone 1 65 - 1 - HB2 LYS 44 - HG2 GLU 87 lone 1 48 - 1 - HB2 LYS 44 - HG3 GLU 87 lone 1 48 - 1 - QE MET 67 - HG2 GLU 47 lone 1 70 - 1 - HB3 LYS 43 - HG2 GLU 87 lone 1 66 - 1 - HB3 LYS 43 - HG3 GLU 87 lone 1 66 - 1 - HB2 LYS 73 - HG2 GLU 87 lone 1 67 - 1 - HB2 LYS 73 - HG3 GLU 87 lone 1 67 - 1 - HB3 LYS 123 - HG2 GLU 87 lone 1 40 - 1 - HB3 LYS 123 - HG3 GLU 87 lone 1 40 - 1 - HB3 LYS 73 - HG2 GLU 87 lone 1 67 - 1 - HB3 LYS 73 - HG3 GLU 87 lone 1 67 - 1 - HB2 LYS 96 - HG3 GLU 87 lone 1 66 - 1 - HB2 LYS 96 - HG2 GLU 87 lone 1 66 - 1 - HB2 GLU 128 - HG2 GLU 111 lone 1 54 - 1 - HB2 LYS 43 - HG2 GLU 87 lone 0 57 - 1 - HB2 LYS 43 - HG3 GLU 87 lone 0 57 - 1 - HB2 LEU 45 - HG2 GLU 111 lone 0 51 - 1 - HB3 LYS 16 - HG2 GLU 47 lone 0 73 - 1 - HB2 LYS 16 - HG2 GLU 47 lone 0 70 - 1 - HB2 LYS 49 - HG3 GLU 87 lone 0 67 - 1 - HB2 LYS 49 - HG2 GLU 87 lone 0 67 - 1 - HB3 LYS 20 - HG3 GLU 87 lone 0 62 - 1 - HB2 LYS 20 - HG2 GLU 87 lone 0 62 - 1 - HB2 LYS 20 - HG3 GLU 87 lone 0 62 - 1 - HB3 LYS 20 - HG2 GLU 87 lone 0 62 - 1 - HB2 LYS 73 - HG2 GLU 111 lone 0 55 - 1 - HB3 LYS 73 - HG2 GLU 111 lone 0 55 - 1 - HB2 LYS 96 - HG2 GLU 111 lone 0 54 - 1 - HB3 LYS 44 - HG2 GLU 111 lone 0 48 - 1 - HB ILE 7 - HG2 GLU 111 lone 0 53 - 1 - HB3 LYS 20 - HG2 GLU 111 lone 0 51 - 1 - HB2 LYS 20 - HG2 GLU 111 lone 0 51 - 1 - HB3 LYS 43 - HG2 GLU 111 lone 0 54 - 1 - HG LEU 45 - HG3 GLU 87 lone 0 45 - 1 - HG LEU 45 - HG2 GLU 87 lone 0 45 - 1 - QE MET 67 - HG2 GLU 87 lone 0 40 - 1 - QE MET 67 - HG3 GLU 87 lone 0 40 - 1 - HB2 LYS 49 - HG2 GLU 111 lone 0 55 - 1 - HB2 LYS 44 - HG2 GLU 111 lone 0 38 - 1 - HB3 LYS 16 - HG2 GLU 87 lone 0 42 - 1 - HB3 LYS 16 - HG3 GLU 87 lone 0 42 - 1 - HB2 LYS 43 - HG2 GLU 111 lone 0 46 - 1 - HB2 LYS 16 - HG3 GLU 87 lone 0 40 - 1 - HB2 LYS 16 - HG2 GLU 87 lone 0 40 - 1 - HB ILE 15 - HG3 GLU 87 lone 0 37 - 1 - HB ILE 15 - HG2 GLU 87 lone 0 37 - 1 - HB3 LYS 123 - HG2 GLU 111 lone 0 32 - 1 - HG LEU 45 - HG2 GLU 111 lone 0 36 - 1 - HB ILE 15 - HG2 GLU 111 lone 0 30 - 1 - QE MET 67 - HG2 GLU 111 lone 0 32 - 1 - HB3 LYS 16 - HG2 GLU 111 lone 0 34 - 1 - HB2 LYS 16 - HG2 GLU 111 lone 0 32 - 1 - Peak 11239 from cnoeabs.peaks (1.55, 2.50, 36.27 ppm; 4.04 A): 1 out of 10 assignments used, quality = 0.68: QB ALA 46 + HG3 GLU 47 OK 68 100 - 68 - 9457=37, 3.7/1307=29...(5) HG2 LYS 65 - HG3 GLU 47 lone 5 100 - 5 - 2.9/11237=1, 2.9/11237=1 HG2 LYS 115 - HG3 GLU 47 lone 2 81 - 3 - HD3 LYS 94 - HG3 GLU 47 lone 2 92 - 2 - HD2 LYS 94 - HG3 GLU 47 lone 2 92 - 2 - HG12 ILE 3 - HG3 GLU 47 lone 1 81 - 1 - HD2 LYS 106 - HG3 GLU 47 lone 1 81 - 1 - HD3 LYS 106 - HG3 GLU 47 lone 1 77 - 1 - HB VAL 78 - HG3 GLU 47 lone 1 92 - 1 - HG LEU 55 - HG3 GLU 47 lone 0 61 - 1 - Peak 11240 from cnoeabs.peaks (1.55, 2.29, 36.27 ppm; 4.18 A): 3 out of 40 assignments used, quality = 0.80: QB ALA 46 + HG2 GLU 47 OK 64 100 - 64 - 9457/1.8=36, 280/5.2=19...(5) QB ALA 46 + HG3 GLU 87 OK 26 67 - 39 - 11299/3.0=10, 9458=9...(7) QB ALA 46 + HG2 GLU 87 OK 26 67 - 39 - 11299/3.0=10, 9458=9...(7) HG12 ILE 3 - HG2 GLU 87 poor 7 48 - 15 - 11299/3.0=5, 11300/3.0=4...(4) HG12 ILE 3 - HG3 GLU 87 poor 7 48 - 15 - 11299/3.0=5, 11300/3.0=4...(4) HG2 LYS 65 - HG2 GLU 47 lone 6 100 - 6 - 11239/1.8=2 HD2 LYS 94 - HG3 GLU 87 lone 6 57 - 10 - 11299/3.0=3, 11300/3.0=2...(4) HD2 LYS 94 - HG2 GLU 87 lone 6 57 - 10 - 11299/3.0=3, 11300/3.0=2...(4) HD3 LYS 94 - HG2 GLU 87 lone 6 57 - 10 - 11299/3.0=3, 11300/3.0=2...(4) HD3 LYS 94 - HG3 GLU 87 lone 6 57 - 10 - 11299/3.0=3, 11300/3.0=2...(4) HG2 LYS 65 - HG3 GLU 87 lone 5 67 - 7 - 11299/3.0=2, 11300/3.0=2 HG2 LYS 65 - HG2 GLU 87 lone 5 67 - 7 - 11299/3.0=2, 11300/3.0=2 HD2 LYS 106 - HG2 GLU 87 lone 3 48 - 7 - 11299/3.0=2, 11300/3.0=2...(4) HD2 LYS 106 - HG3 GLU 87 lone 3 48 - 7 - 11299/3.0=2, 11300/3.0=2...(4) HD3 LYS 106 - HG3 GLU 87 lone 3 45 - 7 - 11299/3.0=2, 11300/3.0=2...(4) HD3 LYS 106 - HG2 GLU 87 lone 3 45 - 7 - 11299/3.0=2, 11300/3.0=2...(4) HD2 LYS 94 - HG2 GLU 47 lone 3 92 - 3 - HD3 LYS 94 - HG2 GLU 47 lone 3 92 - 3 - HG2 LYS 115 - HG2 GLU 47 lone 3 81 - 3 - 11239/1.8=1 QB ALA 46 - HG2 GLU 111 lone 2 55 - 4 - HG2 LYS 115 - HG2 GLU 87 lone 2 48 - 4 - 11299/3.0=1 HG2 LYS 115 - HG3 GLU 87 lone 2 48 - 4 - 11299/3.0=1 HG12 ILE 3 - HG2 GLU 47 lone 1 81 - 2 - HD2 LYS 106 - HG2 GLU 47 lone 1 81 - 2 - HD3 LYS 106 - HG2 GLU 47 lone 1 77 - 2 - HB VAL 78 - HG2 GLU 47 lone 1 92 - 1 - HB VAL 78 - HG3 GLU 87 lone 1 57 - 2 - HB VAL 78 - HG2 GLU 87 lone 1 57 - 2 - HG2 LYS 115 - HG2 GLU 111 lone 1 38 - 2 - 10462/3.9=1 HG12 ILE 3 - HG2 GLU 111 lone 1 38 - 2 - HG2 LYS 65 - HG2 GLU 111 lone 1 55 - 1 - HG LEU 55 - HG2 GLU 47 lone 1 61 - 1 - HG LEU 55 - HG2 GLU 87 lone 0 35 - 1 - HG LEU 55 - HG3 GLU 87 lone 0 35 - 1 - HD2 LYS 94 - HG2 GLU 111 lone 0 46 - 1 - HD3 LYS 94 - HG2 GLU 111 lone 0 46 - 1 - HB VAL 78 - HG2 GLU 111 lone 0 46 - 1 - HD2 LYS 106 - HG2 GLU 111 lone 0 38 - 1 - HD3 LYS 106 - HG2 GLU 111 lone 0 36 - 1 - HG LEU 55 - HG2 GLU 111 lone 0 27 - 1 - Peak 11242 from cnoeabs.peaks (6.78, 0.85, 27.65 ppm; 6.20 A): 2 out of 4 assignments used, quality = 0.99: QD TYR 27 + HG13 ILE 5 OK 95 99 - 96 - ~9052=38, ~9229=27...(25) QD PHE 120 + HG13 ILE 5 OK 89 97 - 92 - ~11658=22, ~9048=20...(19) QD TYR 27 - HG13 ILE 57 OK 34 65 - 52 - ~9564=10, ~9228=6...(19) QD PHE 120 - HG13 ILE 57 OK 19 63 - 30 - ~9559=7, ~11687=7...(11) Peak 11243 from cnoeabs.peaks (1.80, 1.09, 24.59 ppm; 6.20 A): 3 out of 11 assignments used, quality = 0.77: HB ILE 3 + HG2 LYS 53 OK 62 100 - 62 - 9003/5.0=26, 9001/4.1=25...(7) HG12 ILE 5 + HG2 LYS 53 OK 31 100 - 31 - 9052/4594=9, 10802/5.0=6...(7) HG2 ARG 105 + HG2 LYS 53 OK 14 100 - 14 - 10802/5.0=5, ~11244=4 HB3 ARG 105 - HG2 LYS 53 poor 9 87 - 10 - 10802/5.0=5, ~11244=2 HB ILE 97 - HG2 LYS 53 lone 6 99 - 6 - 10802/5.0=1, 9464/4.7=1 HB ILE 18 - HG2 LYS 53 lone 5 70 - 7 - 4582/4584=1, 9222/4594=1 HB2 LEU 64 - HG2 LYS 53 lone 4 77 - 5 - 9689/9471=2 HB ILE 57 - HG2 LYS 53 lone 4 61 - 6 - 10802/5.0=2, 4582/4584=1 HB2 ARG 118 - HG2 LYS 53 lone 3 99 - 4 - HB2 LYS 19 - HG2 LYS 53 lone 3 73 - 4 - HB2 LEU 14 - HG2 LYS 53 lone 2 61 - 4 - 10802/5.0=1 Peak 11244 from cnoeabs.peaks (1.82, 0.94, 24.59 ppm; 4.39 A): 0 out of 13 assignments used, low quality = 0.23: HB ILE 3 - HG3 LYS 53 OK 13 65 - 20 - 9001/4.1=8, 9003/5.0=7...(5) QE MET 121 - HG3 LYS 53 OK 12 98 - 12 - 10582/9226=5...(3) HG12 ILE 5 - HG3 LYS 53 poor 9 70 - 13 - 9052/9226=4, 10802/5.0=3...(6) HB3 ARG 105 - HG3 LYS 53 lone 6 96 - 6 - 10802/5.0=2, ~11243=1, 4.1/666=1 HB3 LYS 77 - HG3 LYS 53 lone 5 70 - 7 - 3.0/11288=2, 4.7/11281=2...(4) HB2 LYS 77 - HG3 LYS 53 lone 4 61 - 7 - 3.0/11288=2, 4.7/11281=2...(4) HG2 ARG 105 - HG3 LYS 53 lone 3 61 - 5 - 10802/5.0=2 HB ILE 18 - HG3 LYS 53 lone 3 100 - 3 - HB ILE 57 - HG3 LYS 53 lone 3 100 - 3 - HB ILE 97 - HG3 LYS 53 lone 2 73 - 2 - HB2 LEU 14 - HG3 LYS 53 lone 2 100 - 2 - HB3 LYS 19 - HG3 LYS 53 lone 1 92 - 1 - HD2 LYS 123 - HG3 LYS 53 lone 1 61 - 1 - Peak 11245 from cnoeabs.peaks (1.99, 0.74, 26.63 ppm; 5.45 A): 2 out of 7 assignments used, quality = 0.88: HB VAL 22 + QD2 LEU 55 OK 85 100 - 86 - 11246/2.1=29, ~10874=27...(10) HB2 LYS 17 + QD2 LEU 55 OK 17 97 - 17 - 4.6/9527=6, 11246/2.1=4...(4) HB3 GLU 103 - QD2 LEU 55 lone 8 100 - 8 - 11246/2.1=3...(3) HB3 GLU 21 - QD2 LEU 55 lone 5 84 - 6 - 11246/2.1=2 HB2 LYS 40 - QD2 LEU 55 lone 4 99 - 4 - 4.6/9394=2 HB3 LYS 96 - QD2 LEU 55 lone 2 77 - 3 - HB3 ARG 95 - QD2 LEU 55 lone 2 73 - 2 - Peak 11246 from cnoeabs.peaks (1.98, 0.68, 26.27 ppm; 4.72 A): 2 out of 14 assignments used, quality = 0.79: HB VAL 22 + QD1 LEU 55 OK 76 100 - 76 - ~10874=20, 11245/2.1=20...(11) HB2 LYS 17 + QD1 LEU 55 OK 11 87 - 13 - 11245/2.1=4, 4.6/11358=3...(4) HB3 GLU 103 - QD1 LEU 55 lone 7 98 - 7 - 11245/2.1=2, 4.0/10215=2...(4) HB3 GLU 21 - QD1 LEU 55 lone 5 96 - 6 - 4.1/9205=3, 11245/2.1=1 HB2 LYS 17 - QD2 LEU 4 poor 5 42 - 12 - 3.0/10917=3, 1.8/10914=3...(5) HB3 GLU 21 - QD2 LEU 4 lone 2 49 - 5 - 4.1/9205=3 HB3 GLU 103 - QD2 LEU 4 lone 2 52 - 4 - 4.0/10215=3 HB2 LYS 40 - QD1 LEU 55 lone 2 94 - 2 - HB3 LYS 96 - QD1 LEU 55 lone 2 92 - 2 - HB3 ARG 95 - QD2 LEU 4 lone 1 44 - 3 - HB3 ARG 95 - QD1 LEU 55 lone 1 90 - 1 - HB VAL 22 - QD2 LEU 4 lone 1 55 - 2 - HB3 LYS 96 - QD2 LEU 4 lone 1 46 - 2 - HB2 LYS 40 - QD2 LEU 4 lone 1 48 - 1 - Peak 11247 from cnoeabs.peaks (0.84, 1.57, 27.37 ppm; 3.38 A): 7 out of 16 assignments used, quality = 0.91: QG2 VAL 22 + HG LEU 55 OK 46 87 - 53 - 10874/3.0=13...(9) QG2 ILE 5 + HG LEU 55 OK 41 100 - 42 - 11139/2.1=10, ~10939=10...(10) HG13 ILE 5 + HG LEU 55 OK 33 99 - 33 - 11139/2.1=7, ~10939=7...(9) QG2 ILE 57 + HG LEU 55 OK 21 100 - 21 - ~11136=4, 11139/2.1=4...(8) HG13 ILE 5 + HG12 ILE 3 OK 18 96 - 19 - ~10739=8, 9007/3.2=6...(4) QG2 ILE 5 + HG12 ILE 3 OK 18 97 - 19 - 9007/3.2=6, ~10739=5...(5) HG13 ILE 57 + HG LEU 55 OK 16 70 - 22 - ~11136=7, 11138/2.1=4...(8) QG2 VAL 22 - HG12 ILE 3 lone 7 82 - 9 - 9007/3.2=3, 10871/2.9=2, ~9009=1 QG2 ILE 15 - HG12 ILE 3 lone 3 95 - 3 - 9007/3.2=1 QG2 ILE 15 - HG LEU 55 lone 2 99 - 2 - QG2 ILE 57 - HG12 ILE 3 lone 2 97 - 2 - QD1 LEU 14 - HG LEU 55 lone 2 70 - 2 - QD2 LEU 82 - HG12 ILE 3 lone 2 64 - 2 - HG13 ILE 57 - HG12 ILE 3 lone 1 64 - 1 - QD1 LEU 14 - HG12 ILE 3 lone 1 64 - 1 - QD2 LEU 82 - HG LEU 55 lone 1 70 - 1 - Peak 11249 from cnoeabs.peaks (1.97, 0.66, 12.57 ppm; 5.84 A): 5 out of 11 assignments used, quality = 0.66: HB VAL 29 + QD1 ILE 56 OK 31 84 - 37 - 4.4/11360=36 HB3 GLU 21 + QD1 ILE 56 OK 20 97 - 21 - 1.8/9548=5, 3.0/9548=5...(6) HB2 GLU 41 + QD1 ILE 56 OK 17 73 - 23 - 3.0/9402=14, 1.8/11236=5 HB3 GLU 41 + QD1 ILE 56 OK 16 70 - 23 - 3.0/9402=14, 1.8/11236=5 HB3 MET 42 + QD1 ILE 56 OK 12 73 - 17 - 4.2/9432=10, ~11531=6 HB3 LYS 96 - QD1 ILE 56 lone 8 99 - 8 - 2.9/11131=2, 4.9/9543=1 HB3 ARG 95 - QD1 ILE 56 lone 6 99 - 6 - ~11026=2 HB3 GLU 128 - QD1 ILE 56 lone 4 87 - 5 - ~11026=2, ~11025=1 HB VAL 22 - QD1 ILE 56 lone 3 65 - 4 - HB3 GLU 52 - QD1 ILE 56 lone 2 81 - 2 - HB3 LYS 39 - QD1 ILE 56 lone 1 65 - 2 - Peak 11250 from cnoeabs.peaks (3.77, 0.69, 17.09 ppm; 5.67 A): 2 out of 2 assignments used, quality = 0.62: HB2 SER 58 + QG2 ILE 56 OK 56 92 - 61 - 1.8/11251=49...(6) HA LEU 68 + QG2 ILE 56 OK 14 94 - 15 - 3.0/9756=4, 9760/2.9=3...(5) Peak 11251 from cnoeabs.peaks (3.41, 0.69, 17.09 ppm; 4.57 A): 0 out of 1 assignment used, low quality = 0.39: HB3 SER 58 - QG2 ILE 56 OK 39 98 - 40 - 1.8/11250=21, 3.0/9608=7...(8) Peak 11252 from cnoeabs.peaks (0.88, 4.13, 56.64 ppm; 4.02 A): 5 out of 8 assignments used, quality = 0.89: QD2 LEU 38 + HA LEU 63 OK 78 97 - 81 - 11527=28, 11260/3.0=19...(16) QG1 VAL 32 + HA LEU 63 OK 18 77 - 23 - 10931/3.7=7, 9278/3.6=4...(5) QD2 LEU 90 + HA LEU 63 OK 16 100 - 16 - 11260/3.0=2, 9696/8110=2...(6) QG2 VAL 117 + HA LEU 63 OK 15 70 - 22 - 2.1/4714=4, 2.1/8111=4...(8) QG2 VAL 107 + HA LEU 63 OK 15 81 - 18 - 11254/3.7=4, 11260/3.0=3...(6) QG2 THR 9 - HA LEU 63 poor 8 61 - 13 - 11254/3.7=3, ~9109=2...(7) QG2 VAL 104 - HA LEU 63 lone 7 100 - 7 - 11260/3.0=1 QG2 VAL 29 - HA LEU 63 lone 2 81 - 2 - Peak 11253 from cnoeabs.peaks (0.97, 4.13, 56.64 ppm; 4.89 A): 3 out of 5 assignments used, quality = 0.91: QD1 LEU 38 + HA LEU 63 OK 81 99 - 82 - 2.1/11527=27, 10997=25...(12) HG13 ILE 56 + HA LEU 63 OK 42 94 - 45 - 11261/3.0=12...(8) QD1 ILE 3 + HA LEU 63 OK 17 100 - 17 - 9016=4, 11259/3.0=3...(5) HD3 LYS 2 - HA LEU 63 lone 6 97 - 6 - ~11222=2, 11261/3.0=2 HG13 ILE 116 - HA LEU 63 lone 6 100 - 6 - 11261/3.0=1, ~10486=1 Peak 11254 from cnoeabs.peaks (0.88, 1.62, 26.77 ppm; 3.09 A): 3 out of 10 assignments used, quality = 0.61: QD2 LEU 38 + HG LEU 63 OK 44 87 - 51 - 10988/2.1=13...(14) QG1 VAL 32 + HG LEU 63 OK 19 92 - 21 - 10931=6, ~10791=5...(7) QG2 VAL 107 + HG LEU 63 OK 13 94 - 14 - 2.1/11186=4, 11185=2...(7) QG2 VAL 117 - HG LEU 63 poor 9 87 - 11 - 10521=3, 10522/3.0=2...(4) QG2 THR 9 - HG LEU 63 poor 8 81 - 11 - 9117/2.1=3, ~9108=2...(5) QD2 LEU 90 - HG LEU 63 lone 5 99 - 5 - 11252/3.7=1, 11260/3.0=1 QG2 VAL 104 - HG LEU 63 lone 2 97 - 2 - QG2 VAL 29 - HG LEU 63 lone 1 61 - 1 - QD1 LEU 14 - HG LEU 63 lone 0 65 - 1 - HG13 ILE 57 - HG LEU 63 lone 0 65 - 1 - Peak 11255 from cnoeabs.peaks (4.97, 0.71, 22.93 ppm; 5.85 A): 1 out of 2 assignments used, quality = 0.47: HA ASN 33 + QD2 LEU 63 OK 47 97 - 49 - 11256/2.1=36...(3) HA ASN 10 - QD2 LEU 63 lone 6 100 - 6 - 11256/2.1=4 Peak 11256 from cnoeabs.peaks (4.97, 0.74, 25.21 ppm; 4.14 A): 1 out of 6 assignments used, quality = 0.52: HA ASN 33 + QD1 LEU 63 OK 52 100 - 52 - 9308=31, 11255/2.1=15...(4) HA ASN 33 - QD2 LEU 6 poor 9 83 - 11 - 9308=6, 3.6/9320=3, 3.0/10795=1 HA ASN 10 - QD1 LEU 63 lone 5 96 - 6 - 4.9/11585=2, 11255/2.1=2 HA ASN 33 - QD1 LEU 45 lone 2 35 - 6 - 9308=2, 3.6/9320=1 HA ASN 10 - QD2 LEU 6 lone 1 76 - 1 - HA ASN 10 - QD1 LEU 45 lone 1 31 - 2 - Peak 11257 from cnoeabs.peaks (5.11, 1.87, 40.89 ppm; 6.20 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11258 from cnoeabs.peaks (0.88, 1.87, 40.89 ppm; 4.98 A): 2 out of 8 assignments used, quality = 0.94: QD2 LEU 38 + HB2 LEU 63 OK 91 97 - 93 - 11260/1.8=30...(19) QG1 VAL 32 + HB2 LEU 63 OK 35 77 - 46 - 10931/3.0=11, ~10791=10...(11) QG2 VAL 107 - HB2 LEU 63 OK 24 81 - 30 - 11254/3.0=6, 11260/1.8=5...(8) QG2 VAL 117 - HB2 LEU 63 OK 18 70 - 26 - 10522/1.8=4, 11254/3.0=4...(10) QD2 LEU 90 - HB2 LEU 63 OK 16 100 - 16 - 11252/3.0=4, 11260/1.8=3...(5) QG2 THR 9 - HB2 LEU 63 OK 14 61 - 24 - ~9109=5, ~9108=4...(8) QG2 VAL 104 - HB2 LEU 63 lone 8 100 - 8 - 11252/3.0=2, 11260/1.8=2...(4) QG2 VAL 29 - HB2 LEU 63 lone 2 81 - 3 - Peak 11259 from cnoeabs.peaks (0.97, 1.87, 40.89 ppm; 5.46 A): 2 out of 5 assignments used, quality = 0.95: QD1 LEU 38 + HB2 LEU 63 OK 89 94 - 94 - ~11260=26, 10987/3.1=24...(20) HG13 ILE 56 + HB2 LEU 63 OK 59 84 - 71 - 2.1/9547=15...(13) QD1 ILE 3 - HB2 LEU 63 OK 17 100 - 17 - 11253/3.0=4, 11522/3.0=3...(5) HD3 LYS 2 - HB2 LEU 63 OK 12 90 - 13 - 3.0/11222=4, 11261/1.8=2...(5) HG13 ILE 116 - HB2 LEU 63 lone 7 100 - 7 - ~10486=2, 11261/1.8=2 Peak 11260 from cnoeabs.peaks (0.89, 1.43, 40.89 ppm; 3.84 A): 3 out of 8 assignments used, quality = 0.83: QD2 LEU 38 + HB3 LEU 63 OK 77 100 - 77 - 10988/3.1=17...(17) QG1 VAL 32 + HB3 LEU 63 OK 15 61 - 25 - 11254/3.0=6, ~10791=6...(7) QG2 VAL 107 + HB3 LEU 63 OK 13 65 - 19 - 11254/3.0=4, 2.1/10315=3...(8) QD2 LEU 90 - HB3 LEU 63 lone 8 99 - 8 - 11252/3.0=3, 11258/1.8=2...(4) QG2 VAL 104 - HB3 LEU 63 lone 4 100 - 4 - 11252/3.0=1 QD1 LEU 90 - HB3 LEU 63 lone 4 70 - 5 - ~11252=2, ~11258=1 QG2 VAL 29 - HB3 LEU 63 lone 1 92 - 1 - QD2 LEU 70 - HB3 LEU 63 lone 0 70 - 0 - Peak 11261 from cnoeabs.peaks (0.96, 1.43, 40.89 ppm; 4.46 A): 3 out of 5 assignments used, quality = 0.94: QD1 LEU 38 + HB3 LEU 63 OK 84 100 - 84 - 2.1/11260=27...(17) HG13 ILE 56 + HB3 LEU 63 OK 55 99 - 56 - ~9547=11, 10949/1.8=11...(14) QD1 ILE 3 + HB3 LEU 63 OK 11 97 - 11 - 11253/3.0=3, 11522/3.0=2...(5) HD3 LYS 2 - HB3 LEU 63 lone 8 100 - 8 - ~11222=2, 11259/1.8=1...(5) HG13 ILE 116 - HB3 LEU 63 lone 6 96 - 7 - 4.5/10479=2, 2.9/10486=2 Peak 11262 from cnoeabs.peaks (4.71, 0.71, 22.93 ppm; 4.44 A): 2 out of 4 assignments used, quality = 0.64: HA ASP 34 + QD2 LEU 63 OK 50 96 - 53 - 9324/2.1=20, ~11349=10...(8) HA ASN 59 + QD2 LEU 63 OK 27 100 - 27 - 11263/2.1=10, ~9613=8...(5) HA ASN 11 - QD2 LEU 63 lone 3 65 - 4 - HA ASN 24 - QD2 LEU 63 lone 1 98 - 1 - Peak 11263 from cnoeabs.peaks (4.71, 0.74, 25.21 ppm; 3.70 A): 3 out of 15 assignments used, quality = 0.75: HA ASP 34 + QD1 LEU 63 OK 56 100 - 57 - 9324=20, 11262/2.1=15...(9) HA ASN 59 + QD1 LEU 63 OK 28 99 - 29 - 3.6/9649=11, 11262/2.1=8...(4) HA ASP 34 + QD2 LEU 6 OK 21 83 - 26 - 9324=8, 3.0/11349=5...(7) HA ASN 59 - QD2 LEU 6 lone 6 81 - 7 - 3.0/9613=3, 3.6/9649=3 HA ASN 11 - QD1 LEU 45 poor 4 25 - 16 - ~9438=5, 3.0/9148=4...(5) HA ASN 11 - QD1 LEU 63 lone 2 84 - 3 - HA ASP 34 - QD1 LEU 45 lone 2 35 - 6 - 9324/2.1=2, 3.0/9320=1 HA LYS 53 - QD1 LEU 63 lone 2 70 - 2 - HA ASN 59 - QD1 LEU 45 lone 1 34 - 4 - 3.0/9621=1 HA ASN 24 - QD1 LEU 63 lone 1 90 - 1 - HA ASN 24 - QD2 LEU 6 lone 1 69 - 1 - HA LYS 53 - QD2 LEU 6 lone 1 51 - 1 - HA ASN 11 - QD2 LEU 6 lone 0 64 - 1 - HA ASN 24 - QD1 LEU 45 lone 0 28 - 0 - HA LYS 53 - QD1 LEU 45 lone 0 20 - 1 - Peak 11264 from cnoeabs.peaks (8.88, 0.74, 25.21 ppm; 5.06 A): 3 out of 6 assignments used, quality = 0.73: H SER 35 + QD1 LEU 63 OK 51 73 - 69 - 3.6/11263=18...(12) H LYS 61 + QD1 LEU 63 OK 32 61 - 51 - 4.3/9645=18, 4.3/9641=17...(6) H SER 35 + QD2 LEU 6 OK 20 55 - 36 - 3.6/9324=7, 4.5/11349=7...(11) H LYS 61 - QD2 LEU 6 poor 5 45 - 12 - 4.6/9649=4, 4.3/9645=3...(4) H SER 35 - QD1 LEU 45 lone 2 21 - 9 - 9334/2.1=1, 4.5/11349=1...(4) H LYS 61 - QD1 LEU 45 lone 1 17 - 3 - Peak 11265 from cnoeabs.peaks (8.80, 0.74, 25.21 ppm; 6.20 A): 4 out of 15 assignments used, quality = 0.89: H ASN 59 + QD1 LEU 63 OK 66 98 - 68 - 4.6/9649=21, 9613=19...(8) H SER 58 + QD1 LEU 63 OK 47 92 - 51 - 4.9/11558=17...(8) H ASN 59 + QD2 LEU 6 OK 21 79 - 26 - 9613=7, 4.6/9649=5...(6) H SER 58 + QD2 LEU 6 OK 21 72 - 29 - 4.9/11558=8, 4.6/9613=5...(8) H ILE 54 - QD2 LEU 6 lone 7 82 - 9 - 4.4/1361=4 H ILE 54 - QD1 LEU 63 lone 6 99 - 6 - 4.4/1361=2 H ILE 18 - QD1 LEU 63 lone 5 77 - 6 - H LYS 106 - QD1 LEU 63 lone 4 97 - 4 - H ASN 59 - QD1 LEU 45 lone 3 33 - 10 - 4.0/9621=3, 9613/2.1=2...(4) H LYS 106 - QD2 LEU 6 lone 3 78 - 4 - H ILE 18 - QD2 LEU 6 lone 3 58 - 5 - 4.6/11488=1 H SER 58 - QD1 LEU 45 lone 1 29 - 5 - 4.6/9613=1 H ILE 54 - QD1 LEU 45 lone 1 35 - 3 - H LYS 106 - QD1 LEU 45 lone 1 32 - 2 - H ILE 18 - QD1 LEU 45 lone 1 23 - 3 - Peak 11266 from cnoeabs.peaks (3.77, 1.79, 41.35 ppm; 5.58 A): 3 out of 3 assignments used, quality = 0.96: HB2 SER 58 + HB2 LEU 64 OK 78 99 - 79 - ~10438=28, ~11268=21...(13) HA LEU 68 + HB2 LEU 64 OK 69 99 - 70 - 4.0/11050=26...(10) HA LYS 65 + HB2 LEU 64 OK 39 61 - 63 - 3.0/393=17, ~394=12...(16) Peak 11267 from cnoeabs.peaks (5.11, 0.81, 24.93 ppm; 5.99 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11268 from cnoeabs.peaks (5.11, 0.78, 24.57 ppm; 5.72 A): 0 out of 1 assignment used, low quality = 0.42: HG SER 58 - QD2 LEU 64 OK 42 61 - 69 - ~10438=29, 2.8/9604=23...(8) Peak 11269 from cnoeabs.peaks (0.38, 0.81, 24.93 ppm; 3.46 A): 2 out of 4 assignments used, quality = 0.67: QD2 LEU 68 + QD1 LEU 64 OK 61 99 - 62 - 11270/2.1=17...(15) QD1 ILE 97 + QD1 LEU 64 OK 16 70 - 23 - 11270/2.1=9, 3.2/10134=5...(6) QD2 LEU 68 - QD1 LEU 114 lone 2 63 - 3 - QD1 ILE 97 - QD1 LEU 114 lone 1 38 - 1 - Peak 11270 from cnoeabs.peaks (0.37, 0.78, 24.57 ppm; 3.76 A): 2 out of 2 assignments used, quality = 0.75: QD2 LEU 68 + QD2 LEU 64 OK 63 84 - 75 - 11269/2.1=26, 10967=12...(18) QD1 ILE 97 + QD2 LEU 64 OK 34 96 - 35 - 11269/2.1=7, 10132=6...(10) Peak 11271 from cnoeabs.peaks (1.59, 2.20, 33.44 ppm; 5.94 A): 4 out of 30 assignments used, quality = 0.71: HG LEU 68 + HB2 MET 67 OK 59 98 - 60 - 4976/4.6=39, 9698/4.0=13...(7) HB3 LEU 127 + HB2 MET 67 OK 12 61 - 19 - ~9707=6, 9698/4.0=3...(8) HG2 LYS 123 + HB2 MET 67 OK 11 61 - 18 - 7097/4.0=4, ~9715=4...(6) HG2 LYS 73 + HB2 MET 67 OK 10 100 - 10 - 1449/4.6=3, 9698/4.0=2...(4) HG LEU 82 - HB2 MET 67 lone 7 99 - 7 - ~9708=2, ~11392=2, 9698/4.0=1 HG12 ILE 116 - HB2 MET 67 lone 6 92 - 6 - ~9709=2, ~9711=1, ~9714=1 HG LEU 68 - HG3 GLN 28 lone 5 59 - 8 - ~11074=2, ~11071=2, 11642=2 HD3 LYS 19 - HB2 MET 67 lone 3 100 - 3 - HD2 LYS 19 - HB2 MET 67 lone 3 100 - 3 - HG2 LYS 44 - HB2 MET 67 lone 3 87 - 3 - HG3 LYS 19 - HB2 MET 67 lone 3 100 - 3 - HG LEU 68 - HB3 MET 1 lone 3 57 - 5 - ~11489=1, 11642=1 HG12 ILE 116 - HG3 GLN 28 lone 2 53 - 3 - ~10466=2 HG LEU 82 - HG3 GLN 28 lone 2 62 - 3 - HD2 LYS 19 - HG3 GLN 28 lone 2 63 - 3 - HD3 LYS 19 - HG3 GLN 28 lone 2 63 - 3 - HG3 LYS 19 - HG3 GLN 28 lone 1 63 - 2 - HG12 ILE 116 - HB3 MET 1 lone 1 50 - 3 - HG2 LYS 73 - HG3 GLN 28 lone 1 62 - 2 - HD2 LYS 19 - HB3 MET 1 lone 1 61 - 2 - HD3 LYS 19 - HB3 MET 1 lone 1 61 - 2 - HG2 LYS 73 - HB3 MET 1 lone 1 60 - 2 - HG2 LYS 123 - HB3 MET 1 lone 1 30 - 3 - ~10935=1 HG LEU 82 - HB3 MET 1 lone 1 59 - 2 - HG3 LYS 19 - HB3 MET 1 lone 1 60 - 2 - HG2 LYS 44 - HG3 GLN 28 lone 1 49 - 2 - HG2 LYS 44 - HB3 MET 1 lone 1 46 - 2 - HB3 LEU 127 - HG3 GLN 28 lone 1 32 - 2 - HB3 LEU 127 - HB3 MET 1 lone 1 30 - 2 - HG2 LYS 123 - HG3 GLN 28 lone 1 32 - 2 - Peak 11272 from cnoeabs.peaks (1.52, 2.05, 33.44 ppm; 6.20 A): 3 out of 11 assignments used, quality = 0.99: HG LEU 38 + HB3 MET 67 OK 88 100 - 88 - ~10991=29, 11231/1.8=26...(12) HG LEU 6 + HB3 MET 67 OK 76 100 - 76 - 2.1/11564=23, ~11563=18...(12) HB2 LEU 6 + HB3 MET 67 OK 65 90 - 73 - 3.1/11564=22, ~11563=16...(12) QB ALA 124 - HB3 MET 67 OK 16 77 - 21 - ~8143=7, ~2241=6...(4) HB3 ARG 30 - HB3 MET 67 OK 10 99 - 10 - 10947/9709=2, 9710/3.0=2...(4) HD3 LYS 17 - HB3 MET 67 lone 8 100 - 8 - HD2 LYS 94 - HB3 MET 67 lone 3 65 - 5 - 9710/3.0=1 HD3 LYS 94 - HB3 MET 67 lone 3 65 - 5 - 9710/3.0=1 HG2 LYS 20 - HB3 MET 67 lone 3 84 - 4 - HB2 LYS 61 - HB3 MET 67 lone 3 100 - 3 - HG2 LYS 43 - HB3 MET 67 lone 2 98 - 2 - Peak 11274 from cnoeabs.peaks (0.73, 1.59, 26.45 ppm; 3.49 A): 5 out of 12 assignments used, quality = 0.85: QD1 LEU 6 + HG LEU 68 OK 49 90 - 55 - 11565/2.1=29, ~11343=12...(7) QD2 LEU 6 + HG LEU 68 OK 41 94 - 44 - 11343/2.1=20, ~11565=19...(5) QG2 VAL 78 + HG LEU 68 OK 29 100 - 29 - ~9768=10, ~9865=9...(5) QD1 LEU 63 + HG LEU 68 OK 16 77 - 20 - 11343/2.1=10, ~9766=4...(6) QD2 LEU 63 + HG LEU 68 OK 14 70 - 21 - ~11343=6, ~9767=4...(8) QD2 LEU 45 - HG LEU 68 lone 4 100 - 4 - 9767/2.1=1 QG1 VAL 117 - HG LEU 68 lone 2 99 - 2 - QG2 ILE 7 - HG LEU 68 lone 1 65 - 2 - HG13 ILE 18 - HG LEU 68 lone 1 100 - 1 - QG2 ILE 18 - HG LEU 68 lone 1 96 - 1 - QD2 LEU 55 - HG LEU 68 lone 1 92 - 1 - QD1 ILE 57 - HG LEU 68 lone 1 61 - 1 - Peak 11275 from cnoeabs.peaks (3.73, 1.47, 41.49 ppm; 6.15 A): 1 out of 3 assignments used, quality = 0.94: HA ILE 71 + HB2 LEU 74 OK 94 99 - 95 - 9819/3.1=45, 9772/1.8=44...(12) HA LYS 61 - HB2 LEU 74 lone 7 90 - 7 - 9819/3.1=2, 11347/3.1=2 HA2 GLY 101 - HB2 LEU 74 lone 3 90 - 4 - Peak 11277 from cnoeabs.peaks (1.87, 0.82, 25.82 ppm; 3.95 A): 0 out of 13 assignments used, low quality = 0.32: QE MET 42 - QD1 LEU 74 OK 32 97 - 33 - 11530=12, 11530/2.1=9...(6) HB2 LYS 16 - QD1 LEU 74 lone 9 97 - 9 - 4.0/5241=4, 2730/4.8=1 HB3 LYS 16 - QD1 LEU 74 lone 9 96 - 9 - 4.0/5241=4, 2730/4.8=1 HG LEU 45 - QD1 LEU 74 lone 2 94 - 2 - QE MET 67 - QD1 LEU 74 lone 2 97 - 2 - HB3 LYS 20 - QD1 LEU 74 lone 2 70 - 2 - HB2 LYS 20 - QD1 LEU 74 lone 2 70 - 2 - HB2 LEU 63 - QD1 LEU 74 lone 2 100 - 2 - HB3 ARG 118 - QD1 LEU 74 lone 1 100 - 1 - HB2 ARG 105 - QD1 LEU 74 lone 1 73 - 1 - HB ILE 7 - QD1 LEU 74 lone 1 61 - 1 - HG2 ARG 95 - QD1 LEU 74 lone 1 100 - 1 - HG LEU 127 - QD1 LEU 74 lone 0 77 - 1 - Peak 11278 from cnoeabs.peaks (3.75, 1.70, 26.27 ppm; 5.72 A): 1 out of 1 assignment used, quality = 0.79: HA ILE 71 + HG LEU 74 OK 79 90 - 88 - 11347/2.1=38...(11) Peak 11279 from cnoeabs.peaks (0.72, 2.85, 37.96 ppm; 5.75 A): 2 out of 22 assignments used, quality = 0.96: QD2 LEU 45 + HB3 TYR 76 OK 87 99 - 88 - 9449/2.5=39, ~9446=31...(9) QG2 VAL 78 + HB3 TYR 76 OK 70 99 - 71 - 9874/2.5=42, 9860/1.8=25...(6) QD1 ILE 57 - HB3 TYR 76 OK 22 84 - 26 - 9561/3.0=18, ~9564=8 QG2 VAL 78 - HB2 ASN 88 poor 9 78 - 11 - ~9858=4, ~9868=4, 9861=3 QD2 LEU 63 - HB3 TYR 76 lone 5 90 - 5 - QD1 LEU 6 - HB3 TYR 76 lone 4 99 - 4 - QD2 LEU 55 - HB3 TYR 76 lone 3 73 - 4 - QD2 LEU 6 - HB3 TYR 76 lone 3 77 - 4 - QG2 ILE 18 - HB3 TYR 76 lone 3 100 - 3 - QD1 LEU 6 - HB2 ASN 88 lone 2 78 - 3 - 9068/3.5=1 HG13 ILE 18 - HB3 TYR 76 lone 2 94 - 3 - QD1 ILE 57 - HB2 ASN 88 lone 2 61 - 4 - 4530/4.0=2 QG2 ILE 18 - HB2 ASN 88 lone 2 81 - 3 - 3.7/5733=1 QG1 VAL 117 - HB3 TYR 76 lone 2 100 - 2 - QD2 LEU 45 - HB2 ASN 88 lone 2 78 - 2 - QG1 VAL 117 - HB2 ASN 88 lone 2 81 - 2 - QD2 LEU 81 - HB3 TYR 76 lone 1 81 - 2 - HG13 ILE 18 - HB2 ASN 88 lone 1 71 - 2 - QD2 LEU 63 - HB2 ASN 88 lone 1 67 - 2 - QD2 LEU 55 - HB2 ASN 88 lone 1 52 - 2 - QD2 LEU 81 - HB2 ASN 88 lone 1 58 - 2 - QD2 LEU 6 - HB2 ASN 88 lone 1 55 - 2 - Peak 11280 from cnoeabs.peaks (0.74, 2.66, 37.96 ppm; 5.08 A): 3 out of 10 assignments used, quality = 0.89: QD2 LEU 45 + HB2 TYR 76 OK 61 81 - 75 - ~9446=24, 9449/2.5=23...(8) QD1 LEU 45 + HB2 TYR 76 OK 54 77 - 70 - 9446/2.5=24, ~9449=23...(7) QG2 VAL 78 + HB2 TYR 76 OK 41 81 - 51 - 9874/2.5=27, 9861/1.8=16...(4) QG2 ILE 54 - HB2 TYR 76 lone 9 97 - 9 - 9492/4.4=3, 4389/10732=3 QG2 ILE 7 - HB2 TYR 76 lone 6 99 - 6 - ~4618=2, ~4609=1 QD2 LEU 55 - HB2 TYR 76 lone 5 100 - 5 - QD1 LEU 63 - HB2 TYR 76 lone 5 100 - 5 - QD2 LEU 6 - HB2 TYR 76 lone 4 99 - 4 - HG13 ILE 18 - HB2 TYR 76 lone 3 92 - 3 - QG1 VAL 117 - HB2 TYR 76 lone 1 65 - 2 - Peak 11281 from cnoeabs.peaks (0.94, 2.58, 41.93 ppm; 5.58 A): 3 out of 5 assignments used, quality = 0.87: QD2 LEU 127 + HE3 LYS 77 OK 79 96 - 82 - ~11215=33, 2.1/11214=33...(8) HG13 ILE 97 + HE3 LYS 77 OK 33 81 - 41 - 1.8/11282=15, ~11283=14...(5) HG3 LYS 53 + HE3 LYS 77 OK 12 99 - 12 - 11288/3.7=3, 11244/4.7=3...(5) QG1 VAL 104 - HE3 LYS 77 lone 3 92 - 3 - HG13 ILE 56 - HE3 LYS 77 lone 1 61 - 2 - Peak 11282 from cnoeabs.peaks (1.01, 2.58, 41.93 ppm; 5.40 A): 2 out of 4 assignments used, quality = 0.95: QD1 LEU 127 + HE3 LYS 77 OK 89 100 - 89 - 11215/1.8=43, 11214=38...(8) HG12 ILE 97 + HE3 LYS 77 OK 51 97 - 53 - ~11284=19, 11283/1.8=15...(7) HG13 ILE 71 - HE3 LYS 77 lone 5 87 - 6 - 3.2/11078=1, 11287/3.7=1 HG2 LYS 61 - HE3 LYS 77 lone 2 61 - 2 - Peak 11283 from cnoeabs.peaks (1.00, 2.83, 41.93 ppm; 5.23 A): 2 out of 2 assignments used, quality = 0.87: QD1 LEU 127 + HE2 LYS 77 OK 75 90 - 84 - 11215=36, 11214/1.8=29...(8) HG12 ILE 97 + HE2 LYS 77 OK 48 100 - 48 - 1.8/11284=22...(7) Peak 11284 from cnoeabs.peaks (0.91, 2.83, 41.93 ppm; 6.07 A): 0 out of 7 assignments used, low quality = 0.25: HG13 ILE 97 - HE2 LYS 77 OK 25 77 - 32 - 1.8/11283=19, ~11282=14 HG13 ILE 54 - HE2 LYS 77 lone 2 100 - 2 - QD1 LEU 70 - HE2 LYS 77 lone 2 99 - 2 - QD2 LEU 70 - HE2 LYS 77 lone 2 97 - 2 - QD1 LEU 90 - HE2 LYS 77 lone 2 97 - 2 - QG2 VAL 29 - HE2 LYS 77 lone 1 81 - 2 - QG1 VAL 104 - HE2 LYS 77 lone 1 61 - 2 - Peak 11285 from cnoeabs.peaks (1.03, 1.62, 28.20 ppm; 4.25 A): 0 out of 8 assignments used, low quality = 0.37: HB2 PHE 79 - HD3 LYS 77 OK 21 96 - 22 - 2.4/9851=6, ~9851=5...(6) HB2 PHE 79 - HD2 LYS 77 OK 21 95 - 22 - 2.4/9851=6, ~9851=5...(6) HG13 ILE 71 - HD3 LYS 77 lone 2 87 - 2 - HG13 ILE 71 - HD2 LYS 77 lone 2 87 - 2 - HG2 LYS 61 - HD2 LYS 77 lone 2 99 - 2 - HG2 LYS 61 - HD3 LYS 77 lone 2 99 - 2 - HG3 LYS 2 - HD2 LYS 77 lone 1 100 - 1 - HG3 LYS 2 - HD3 LYS 77 lone 1 100 - 1 - Peak 11286 from cnoeabs.peaks (0.94, 1.62, 28.20 ppm; 4.52 A): 3 out of 10 assignments used, quality = 0.95: QD2 LEU 127 + HD3 LYS 77 OK 74 96 - 77 - 11472/3.0=20, ~11215=18...(11) QD2 LEU 127 + HD2 LYS 77 OK 73 95 - 77 - 11472/3.0=20, ~11215=18...(11) HG13 ILE 97 + HD3 LYS 77 OK 29 81 - 36 - ~11283=7, 11288/3.0=7...(7) HG13 ILE 97 - HD2 LYS 77 OK 29 80 - 36 - ~11283=7, 11288/3.0=7...(7) HG3 LYS 53 - HD3 LYS 77 lone 9 99 - 9 - 11288/3.0=2, 11281/3.0=2...(4) HG3 LYS 53 - HD2 LYS 77 lone 9 99 - 9 - 11288/3.0=2, 11281/3.0=2...(4) QG1 VAL 104 - HD3 LYS 77 lone 2 92 - 2 - QG1 VAL 104 - HD2 LYS 77 lone 2 92 - 2 - HG13 ILE 56 - HD3 LYS 77 lone 1 61 - 1 - HG13 ILE 56 - HD2 LYS 77 lone 1 61 - 1 - Peak 11287 from cnoeabs.peaks (1.02, 1.35, 24.49 ppm; 4.47 A): 2 out of 10 assignments used, quality = 0.79: QD1 LEU 127 + HG2 LYS 77 OK 73 96 - 76 - 11471=31, 11215/3.7=22...(8) HG12 ILE 97 + HG2 LYS 77 OK 23 70 - 33 - 1.8/11288=9, 11289/1.8=8...(8) HG12 ILE 97 - HG2 LYS 94 poor 6 23 - 25 - 10121/4.0=10, ~10131=9...(6) HG13 ILE 71 - HG2 LYS 77 lone 4 100 - 4 - HG2 LYS 61 - HG2 LYS 77 lone 2 94 - 2 - HG3 LYS 2 - HG2 LYS 77 lone 2 77 - 2 - QD1 LEU 127 - HG2 LYS 94 lone 1 37 - 3 - 11471=1 HG13 ILE 71 - HG2 LYS 94 lone 1 41 - 2 - 5097/4.9=1 HG2 LYS 61 - HG2 LYS 94 lone 0 35 - 1 - HG3 LYS 2 - HG2 LYS 94 lone 0 26 - 1 - Peak 11288 from cnoeabs.peaks (0.93, 1.35, 24.49 ppm; 3.93 A): 3 out of 8 assignments used, quality = 0.74: QD2 LEU 127 + HG2 LYS 77 OK 57 100 - 57 - 2.1/11471=20, 11472=17...(7) HG13 ILE 97 + HG2 LYS 77 OK 25 94 - 26 - ~11289=7, 1.8/11287=6...(7) QG1 VAL 104 + HG2 LYS 94 OK 21 39 - 52 - 10236/4.0=22...(10) HG13 ILE 97 - HG2 LYS 94 poor 8 35 - 22 - 10122/4.0=14, ~10131=7...(4) HG3 LYS 53 - HG2 LYS 77 lone 7 100 - 7 - 11244/3.0=2, 11244/3.0=2 QG1 VAL 104 - HG2 LYS 77 lone 2 99 - 2 - QD2 LEU 127 - HG2 LYS 94 lone 1 41 - 2 - HG3 LYS 53 - HG2 LYS 94 lone 0 41 - 0 - Peak 11289 from cnoeabs.peaks (1.01, 1.17, 24.49 ppm; 4.62 A): 2 out of 3 assignments used, quality = 0.84: QD1 LEU 127 + HG3 LYS 77 OK 74 98 - 76 - 11471/1.8=30...(10) HG12 ILE 97 + HG3 LYS 77 OK 37 100 - 37 - 11283/3.7=9, 11282/3.7=8...(9) HG13 ILE 71 - HG3 LYS 77 lone 2 73 - 3 - Peak 11290 from cnoeabs.peaks (0.37, 1.56, 34.35 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.82: QD1 ILE 97 + HB VAL 78 OK 64 92 - 70 - 9859/2.1=37, 9865/2.1=24...(8) QD2 LEU 68 + HB VAL 78 OK 49 90 - 55 - 9865/2.1=26...(9) Peak 11291 from cnoeabs.peaks (1.90, 0.72, 22.14 ppm; 4.50 A): 2 out of 22 assignments used, quality = 0.58: HB ILE 7 + QG2 VAL 78 OK 53 97 - 55 - ~11582=15, ~11581=12...(11) HB2 LYS 96 + QG2 VAL 78 OK 11 100 - 11 - 4.6/5409=5, 7796/4.0=2 HB ILE 71 - QG2 VAL 78 lone 10 100 - 10 - 9794/9874=4, ~9788=2...(4) HB2 LEU 45 - QG2 VAL 78 lone 9 99 - 9 - 4609/9874=2, 9441/9873=1...(4) HG2 MET 121 - QG2 VAL 78 lone 6 65 - 9 - ~10592=3, 1.8/10591=2...(4) HG LEU 45 - QG2 VAL 78 lone 4 70 - 6 - 4609/9874=2 HB3 LYS 44 - QG2 VAL 78 lone 4 97 - 4 - 4.7/1298=1 QE MET 67 - QG2 VAL 78 lone 3 61 - 5 - HB2 LYS 44 - QG2 VAL 78 lone 3 87 - 4 - 4.7/1298=1 HB2 LYS 73 - QG2 VAL 78 lone 2 99 - 2 - HB3 LYS 73 - QG2 VAL 78 lone 2 99 - 2 - HB2 ARG 95 - QG2 VAL 78 lone 2 100 - 2 - HB ILE 15 - QG2 VAL 78 lone 2 73 - 2 - HB3 LYS 43 - QG2 VAL 78 lone 2 100 - 2 - HB2 LYS 43 - QG2 VAL 78 lone 1 96 - 2 - HB3 LYS 20 - QG2 VAL 78 lone 1 94 - 1 - HB2 LYS 20 - QG2 VAL 78 lone 1 94 - 1 - HB2 LYS 49 - QG2 VAL 78 lone 1 100 - 1 - HB2 GLU 128 - QG2 VAL 78 lone 1 100 - 1 - HB3 LYS 123 - QG2 VAL 78 lone 1 77 - 1 - HB3 LYS 16 - QG2 VAL 78 lone 1 65 - 1 - HB2 LYS 16 - QG2 VAL 78 lone 1 61 - 1 - Peak 11294 from cnoeabs.peaks (7.15, 5.27, 53.06 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.92: QE PHE 120 + HA LEU 81 OK 85 87 - 97 - 2.2/4711=46, 4739=41...(14) QE PHE 93 + HA LEU 81 OK 50 84 - 60 - 9942/3.0=15...(10) Peak 11295 from cnoeabs.peaks (6.80, 1.36, 45.78 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.92: QD PHE 120 + HB3 LEU 81 OK 92 96 - 96 - ~4739=34, 2.2/9945=30...(15) QD TYR 27 - HB3 LEU 81 lone 9 92 - 9 - 9083/9074=2, ~10837=2...(4) Peak 11296 from cnoeabs.peaks (4.79, 5.26, 54.59 ppm; 6.06 A): 2 out of 2 assignments used, quality = 0.77: HA THR 108 + HA GLN 83 OK 70 94 - 75 - 10023/3.6=38...(6) HA TYR 76 + HA GLN 83 OK 25 87 - 28 - 10000/3.9=9, 10001/3.9=9...(7) Peak 11297 from cnoeabs.peaks (8.69, 2.59, 43.77 ppm; 6.20 A): 3 out of 3 assignments used, quality = 0.85: H ASP 86 + HB2 ASP 84 OK 75 100 - 76 - 4.6/534=40, 11408/3.0=39...(5) H ASP 110 + HB2 ASP 84 OK 25 100 - 25 - 11298/1.8=10, 1928/4.6=8 H ARG 105 + HB2 ASP 84 OK 18 87 - 20 - 4.2/10024=6, 11298/1.8=6...(5) Peak 11298 from cnoeabs.peaks (8.69, 2.66, 43.77 ppm; 5.68 A): 3 out of 4 assignments used, quality = 0.80: H ASP 86 + HB3 ASP 84 OK 69 100 - 70 - 11408/3.0=36, 536/4.6=35...(6) H ASP 110 + HB3 ASP 84 OK 23 96 - 24 - 1928/4.6=8, 11297/1.8=7...(4) H ARG 105 + HB3 ASP 84 OK 14 70 - 20 - 4.2/10025=7, 11297/1.8=5...(4) H GLU 98 - HB3 ASP 84 lone 2 65 - 3 - 11510/10025=2 Peak 11299 from cnoeabs.peaks (1.55, 2.09, 29.57 ppm; 4.33 A): 0 out of 10 assignments used, low quality = 0.41: QB ALA 46 - HB2 GLU 87 OK 31 100 - 31 - 11300/1.8=11, 9458/3.0=7...(7) HG12 ILE 3 - HB2 GLU 87 OK 15 90 - 17 - 11300/1.8=6, 2.1/10656=5...(6) HD2 LYS 94 - HB2 GLU 87 lone 8 84 - 9 - 11300/1.8=3, ~11300=2 HD3 LYS 94 - HB2 GLU 87 lone 8 84 - 9 - 11300/1.8=3, ~11300=2 HG2 LYS 65 - HB2 GLU 87 lone 6 100 - 6 - 11300/1.8=2 HD2 LYS 106 - HB2 GLU 87 lone 6 90 - 6 - 11300/1.8=2, ~11300=2 HD3 LYS 106 - HB2 GLU 87 lone 6 87 - 6 - 11300/1.8=2, ~11300=2 HG2 LYS 115 - HB2 GLU 87 lone 3 90 - 3 - 11300/1.8=1 HB VAL 78 - HB2 GLU 87 lone 2 97 - 2 - HG LEU 55 - HB2 GLU 87 lone 1 73 - 2 - Peak 11300 from cnoeabs.peaks (1.55, 2.04, 29.57 ppm; 4.36 A): 0 out of 30 assignments used, low quality = 0.41: QB ALA 46 - HB3 GLU 87 OK 30 100 - 30 - 11299/1.8=14, 9458/3.0=7...(6) HG12 ILE 3 - HB3 GLU 87 OK 16 90 - 18 - 11299/1.8=7, ~10656=6...(6) HD2 LYS 94 - HB3 GLU 87 poor 8 84 - 10 - 11299/1.8=4, ~11299=3, ~11213=1 HD3 LYS 94 - HB3 GLU 87 poor 8 84 - 10 - 11299/1.8=4, ~11299=3, ~11213=1 HG2 LYS 65 - HB3 GLU 87 lone 6 100 - 6 - 11299/1.8=3 HD2 LYS 106 - HB3 GLU 87 lone 6 90 - 7 - 11299/1.8=3, ~11299=2 HD3 LYS 106 - HB3 GLU 87 lone 6 87 - 7 - 11299/1.8=3, ~11299=2 HG2 LYS 115 - HB3 GLU 87 lone 3 90 - 3 - 11299/1.8=1 HG2 LYS 65 - HB3 GLN 85 lone 2 73 - 3 - HB VAL 78 - HB3 GLU 87 lone 2 97 - 2 - HG2 LYS 115 - HB3 GLN 85 lone 2 59 - 3 - ~11468=1 HG12 ILE 3 - HB3 GLN 85 lone 1 59 - 2 - HG LEU 55 - HB3 GLU 87 lone 1 73 - 2 - HG LEU 55 - HB3 GLU 98 lone 1 36 - 3 - QB ALA 46 - HB3 GLU 98 lone 1 59 - 1 - HG2 LYS 65 - HB3 GLU 98 lone 1 58 - 1 - QB ALA 46 - HB3 GLN 85 lone 1 73 - 1 - HG2 LYS 115 - HB3 GLU 98 lone 1 47 - 1 - HB VAL 78 - HB3 GLN 85 lone 1 67 - 1 - HD2 LYS 94 - HB3 GLN 85 lone 1 54 - 1 - HD3 LYS 94 - HB3 GLN 85 lone 1 54 - 1 - HD2 LYS 106 - HB3 GLN 85 lone 0 59 - 1 - HB VAL 78 - HB3 GLU 98 lone 0 54 - 1 - HD3 LYS 106 - HB3 GLN 85 lone 0 57 - 1 - HG LEU 55 - HB3 GLN 85 lone 0 46 - 1 - HD2 LYS 106 - HB3 GLU 98 lone 0 47 - 1 - HG12 ILE 3 - HB3 GLU 98 lone 0 47 - 1 - HD3 LYS 106 - HB3 GLU 98 lone 0 45 - 1 - HD3 LYS 94 - HB3 GLU 98 lone 0 43 - 1 - HD2 LYS 94 - HB3 GLU 98 lone 0 43 - 1 - Peak 11301 from cnoeabs.peaks (2.91, 2.04, 29.24 ppm; 3.71 A): 5 out of 102 assignments used, quality = 0.83: HB3 ASN 88 + HB2 GLU 89 OK 41 96 - 43 - 557/4.0=14, 1.8/11304=10...(9) HB3 ASN 88 + HB3 GLU 89 OK 41 96 - 43 - 557/4.0=14, 1.8/11304=10...(9) HB2 ASP 86 + HB2 GLU 89 OK 24 81 - 30 - 9309/1.8=4, 9309=4...(10) HB2 ASP 86 + HB3 GLU 89 OK 24 81 - 30 - 9309/1.8=4, 9309=4...(10) HB2 ASP 86 + HB3 GLN 85 OK 17 76 - 22 - 1570/4.6=14, 9309=4...(4) HE2 LYS 65 - HB3 GLU 89 lone 5 100 - 5 - 11303/3.0=1 HE2 LYS 65 - HB2 GLU 89 lone 5 100 - 5 - 11303/3.0=1 HE3 LYS 65 - HB3 GLU 89 lone 5 100 - 5 - 11303/3.0=1 HE3 LYS 65 - HB2 GLU 89 lone 5 100 - 5 - 11303/3.0=1 HB2 ASP 34 - HB2 GLU 89 lone 3 99 - 3 - 557/4.0=2 HB2 ASP 34 - HB3 GLU 89 lone 3 99 - 3 - 557/4.0=2 HE2 LYS 115 - HB2 GLU 89 lone 3 99 - 3 - HE2 LYS 115 - HB3 GLU 89 lone 3 99 - 3 - HE3 LYS 115 - HB3 GLU 89 lone 3 99 - 3 - HE3 LYS 115 - HB2 GLU 89 lone 3 99 - 3 - HE2 LYS 65 - HB2 GLU 66 lone 3 100 - 3 - ~10461=1 HE3 LYS 65 - HB2 GLU 66 lone 3 100 - 3 - ~10461=1 HB3 ASN 88 - HB2 GLU 66 lone 3 95 - 3 - HB2 ASP 34 - HB2 GLU 66 lone 3 99 - 3 - 9329/4.1=2 HB2 ASP 86 - HB2 GLU 66 lone 2 80 - 3 - HB2 ASN 33 - HB3 GLU 89 lone 2 100 - 2 - HB2 ASN 33 - HB2 GLU 89 lone 2 100 - 2 - HB3 ASN 88 - HB3 GLN 85 lone 2 92 - 2 - HE3 LYS 17 - HB2 GLU 89 lone 1 84 - 2 - HE3 LYS 17 - HB3 GLU 89 lone 1 84 - 2 - HB2 ASN 10 - HB2 GLU 89 lone 1 97 - 1 - HB2 ASN 10 - HB3 GLU 89 lone 1 97 - 1 - HE2 LYS 115 - HB3 GLN 85 lone 1 97 - 1 - HE3 LYS 115 - HB3 GLN 85 lone 1 97 - 1 - HE2 LYS 65 - HB3 GLN 85 lone 1 97 - 1 - HE3 LYS 65 - HB3 GLN 85 lone 1 97 - 1 - HE2 LYS 16 - HB2 GLU 89 lone 1 100 - 1 - HE3 LYS 16 - HB2 GLU 89 lone 1 100 - 1 - HE2 LYS 16 - HB3 GLU 89 lone 1 100 - 1 - HE3 LYS 16 - HB3 GLU 89 lone 1 100 - 1 - HE2 LYS 115 - HB2 GLU 66 lone 1 99 - 1 - HE3 LYS 115 - HB2 GLU 66 lone 1 99 - 1 - HE3 LYS 94 - HB2 GLU 89 lone 1 99 - 1 - HE3 LYS 94 - HB3 GLU 89 lone 1 99 - 1 - HB3 ASN 88 - HB3 GLN 100 lone 1 82 - 1 - HE3 LYS 94 - HB3 GLN 85 lone 1 97 - 1 - HE3 LYS 16 - HB2 GLU 66 lone 1 100 - 1 - HE2 LYS 16 - HB2 GLU 66 lone 1 100 - 1 - HB2 ASN 33 - HB2 GLU 66 lone 1 100 - 1 - HE3 LYS 94 - HB2 GLU 66 lone 1 99 - 1 - HE2 LYS 115 - HB3 GLN 100 lone 1 88 - 1 - HE3 LYS 115 - HB3 GLN 100 lone 1 88 - 1 - HB2 ASN 10 - HB2 GLU 66 lone 1 97 - 1 - HB2 ASP 34 - HB3 GLN 85 lone 1 97 - 1 - HB2 ASP 34 - HB3 GLN 100 lone 1 88 - 1 - HE3 LYS 96 - HB2 GLU 89 lone 1 70 - 1 - HE3 LYS 96 - HB3 GLU 89 lone 1 70 - 1 - HE2 LYS 96 - HB2 GLU 89 lone 1 70 - 1 - HE2 LYS 96 - HB3 GLU 89 lone 1 70 - 1 - HE2 LYS 44 - HB3 GLU 89 lone 1 70 - 1 - HE2 LYS 44 - HB2 GLU 89 lone 1 70 - 1 - HE3 LYS 44 - HB3 GLU 89 lone 1 70 - 1 - HE3 LYS 44 - HB2 GLU 89 lone 1 70 - 1 - HB2 ASN 33 - HB3 GLN 100 lone 1 89 - 1 - HB2 ASP 86 - HB3 GLU 98 lone 1 35 - 2 - 4.0/539=1 HB2 ASN 33 - HB3 GLN 85 lone 1 97 - 1 - HE3 LYS 65 - HB3 GLN 100 lone 1 89 - 1 - HE2 LYS 65 - HB3 GLN 100 lone 1 89 - 1 - HB2 ASN 10 - HB3 GLN 85 lone 1 94 - 1 - HE3 LYS 17 - HB2 GLU 66 lone 0 84 - 1 - HB2 ASN 10 - HB3 GLN 100 lone 0 84 - 1 - HE3 LYS 96 - HB2 GLU 66 lone 0 69 - 1 - HE2 LYS 96 - HB2 GLU 66 lone 0 69 - 1 - HE2 LYS 16 - HB3 GLN 85 lone 0 97 - 0 - HE3 LYS 16 - HB3 GLN 85 lone 0 97 - 0 - HE3 LYS 94 - HB3 GLN 100 lone 0 88 - 1 - HE3 LYS 96 - HB3 GLN 85 lone 0 65 - 1 - HE2 LYS 96 - HB3 GLN 85 lone 0 65 - 1 - HE3 LYS 94 - HB3 GLU 98 lone 0 49 - 1 - HB2 ASP 86 - HB3 GLN 100 lone 0 67 - 1 - HE3 LYS 17 - HB3 GLN 85 lone 0 80 - 1 - HE2 LYS 16 - HB3 GLN 100 lone 0 89 - 0 - HE3 LYS 16 - HB3 GLN 100 lone 0 89 - 0 - HB3 ASN 88 - HB3 GLU 98 lone 0 45 - 1 - HE3 LYS 17 - HB3 GLN 100 lone 0 70 - 1 - HE2 LYS 44 - HB2 GLU 66 lone 0 69 - 0 - HE3 LYS 44 - HB2 GLU 66 lone 0 69 - 0 - HE2 LYS 115 - HB3 GLU 98 lone 0 49 - 1 - HE3 LYS 115 - HB3 GLU 98 lone 0 49 - 1 - HB2 ASP 34 - HB3 GLU 98 lone 0 49 - 1 - HE3 LYS 44 - HB3 GLN 85 lone 0 65 - 0 - HE2 LYS 44 - HB3 GLN 85 lone 0 65 - 0 - HB2 ASN 33 - HB3 GLU 98 lone 0 50 - 1 - HE2 LYS 96 - HB3 GLN 100 lone 0 56 - 1 - HE3 LYS 96 - HB3 GLN 100 lone 0 56 - 1 - HE2 LYS 65 - HB3 GLU 98 lone 0 50 - 1 - HE3 LYS 65 - HB3 GLU 98 lone 0 50 - 1 - HE3 LYS 44 - HB3 GLN 100 lone 0 56 - 0 - HE2 LYS 44 - HB3 GLN 100 lone 0 56 - 0 - HE2 LYS 96 - HB3 GLU 98 lone 0 29 - 1 - HE3 LYS 96 - HB3 GLU 98 lone 0 29 - 1 - HB2 ASN 10 - HB3 GLU 98 lone 0 46 - 0 - HE2 LYS 16 - HB3 GLU 98 lone 0 50 - 0 - HE3 LYS 16 - HB3 GLU 98 lone 0 50 - 0 - HE3 LYS 17 - HB3 GLU 98 lone 0 37 - 0 - HE2 LYS 44 - HB3 GLU 98 lone 0 29 - 0 - HE3 LYS 44 - HB3 GLU 98 lone 0 29 - 0 - Peak 11302 from cnoeabs.peaks (2.92, 2.26, 36.01 ppm; 4.05 A): 3 out of 85 assignments used, quality = 0.58: HB2 ASP 86 + HG2 GLU 89 OK 30 99 - 30 - 1.8/10048=7, 10037/5.2=6...(7) HB2 ASP 86 + HG3 GLU 111 OK 25 94 - 26 - 1.8/10048=5, ~10048=5...(7) HB3 ASN 88 + HG2 GLU 89 OK 20 65 - 30 - 4.2/1588=10, 11303/1.8=5...(7) HB3 ASN 88 - HG3 GLU 92 poor 10 65 - 15 - 4.2/1588=7, 11303/1.8=2...(5) HB3 ASN 88 - HG3 GLU 111 poor 8 58 - 14 - ~11462=4, 4.2/1588=3...(6) HE3 LYS 65 - HG2 GLU 89 lone 7 97 - 7 - 11303/1.8=2, ~11467=2, ~11303=1 HE2 LYS 65 - HG2 GLU 89 lone 7 97 - 7 - 11303/1.8=2, ~11467=2, ~11303=1 HB2 ASP 86 - HG3 GLU 92 lone 4 99 - 4 - HE2 LYS 65 - HG3 GLU 92 lone 3 96 - 4 - HE3 LYS 65 - HG3 GLU 92 lone 3 96 - 4 - HE2 LYS 115 - HG2 GLU 89 lone 3 81 - 4 - 11303/1.8=1 HE3 LYS 115 - HG2 GLU 89 lone 3 81 - 4 - 11303/1.8=1 HB2 ASP 34 - HG2 GLU 89 lone 3 81 - 3 - HB3 ASN 88 - HG2 GLU 103 lone 3 34 - 8 - ~11014=5, ~8174=1 HB2 ASN 33 - HG2 GLU 89 lone 2 84 - 2 - HB2 ASN 33 - HG2 GLU 69 lone 2 63 - 3 - 4.6/9317=1 HE2 LYS 115 - HG3 GLU 92 lone 2 80 - 2 - HE3 LYS 115 - HG3 GLU 92 lone 2 80 - 2 - HB2 ASP 34 - HG2 GLU 69 lone 2 60 - 3 - 4.0/9317=2 HE2 LYS 44 - HG3 GLU 92 lone 2 96 - 2 - HE3 LYS 44 - HG3 GLU 92 lone 2 96 - 2 - HE2 LYS 96 - HG3 GLU 92 lone 2 96 - 2 - HE3 LYS 96 - HG3 GLU 92 lone 2 96 - 2 - HB2 ASN 33 - HG3 GLU 111 lone 1 76 - 2 - HE2 LYS 16 - HG2 GLU 89 lone 1 84 - 2 - HE3 LYS 16 - HG2 GLU 89 lone 1 84 - 2 - HB2 ASP 34 - HG3 GLU 111 lone 1 73 - 2 - HB2 ASP 86 - HG2 GLU 103 lone 1 62 - 2 - HE3 LYS 94 - HG3 GLU 92 lone 1 98 - 1 - HE3 LYS 94 - HG2 GLU 89 lone 1 98 - 1 - HB2 ASP 34 - HG3 GLU 92 lone 1 80 - 1 - HE3 LYS 96 - HG2 GLU 89 lone 1 97 - 1 - HE2 LYS 96 - HG2 GLU 89 lone 1 97 - 1 - HB2 ASN 33 - HG3 GLU 92 lone 1 83 - 1 - HE3 LYS 44 - HG2 GLU 89 lone 1 97 - 1 - HE2 LYS 44 - HG2 GLU 89 lone 1 97 - 1 - HB2 ASP 86 - HG2 GLU 69 lone 1 81 - 1 - HE3 LYS 65 - HG2 GLU 69 lone 1 77 - 1 - HE2 LYS 65 - HG2 GLU 69 lone 1 77 - 1 - HB2 ASN 10 - HG2 GLU 89 lone 1 70 - 1 - HE3 LYS 16 - HG3 GLU 92 lone 1 83 - 1 - HE2 LYS 16 - HG3 GLU 92 lone 1 83 - 1 - HE2 LYS 44 - HG2 GLU 69 lone 1 77 - 1 - HE3 LYS 44 - HG2 GLU 69 lone 1 77 - 1 - HE3 LYS 65 - HG2 GLU 103 lone 1 58 - 1 - HE2 LYS 65 - HG2 GLU 103 lone 1 58 - 1 - HE3 LYS 65 - HG3 GLU 111 lone 1 90 - 1 - HE2 LYS 65 - HG3 GLU 111 lone 1 90 - 1 - HE3 LYS 115 - HG3 GLU 111 lone 1 73 - 1 - HE2 LYS 115 - HG3 GLU 111 lone 1 73 - 1 - HD3 ARG 30 - HG3 GLU 92 lone 1 91 - 1 - HE3 LYS 94 - HG2 GLU 69 lone 1 78 - 1 - HE2 LYS 96 - HG2 GLU 69 lone 1 77 - 1 - HE3 LYS 96 - HG2 GLU 69 lone 1 77 - 1 - HE3 LYS 94 - HG3 GLU 111 lone 1 92 - 1 - HB3 ASN 88 - HG2 GLU 69 lone 1 47 - 1 - HD3 ARG 30 - HG2 GLU 89 lone 1 92 - 1 - HE2 LYS 44 - HG3 GLU 111 lone 1 90 - 1 - HE3 LYS 44 - HG3 GLU 111 lone 1 90 - 1 - HE2 LYS 96 - HG3 GLU 111 lone 0 90 - 1 - HE3 LYS 96 - HG3 GLU 111 lone 0 90 - 1 - HE2 LYS 115 - HG2 GLU 103 lone 1 44 - 1 - HE3 LYS 115 - HG2 GLU 103 lone 1 44 - 1 - HB2 ASN 10 - HG3 GLU 92 lone 0 69 - 1 - HE3 LYS 16 - HG3 GLU 111 lone 0 76 - 1 - HE2 LYS 16 - HG3 GLU 111 lone 0 76 - 1 - HD3 ARG 30 - HG3 GLU 111 lone 0 84 - 1 - HE3 LYS 96 - HG2 GLU 103 lone 0 58 - 1 - HE2 LYS 96 - HG2 GLU 103 lone 0 58 - 1 - HE2 LYS 44 - HG2 GLU 103 lone 0 58 - 1 - HE3 LYS 44 - HG2 GLU 103 lone 0 58 - 1 - HE2 LYS 115 - HG2 GLU 69 lone 0 60 - 1 - HE3 LYS 115 - HG2 GLU 69 lone 0 60 - 1 - HD3 ARG 30 - HG2 GLU 69 lone 0 71 - 1 - HE3 LYS 94 - HG2 GLU 103 lone 0 60 - 1 - HE3 LYS 16 - HG2 GLU 69 lone 0 63 - 1 - HE2 LYS 16 - HG2 GLU 69 lone 0 63 - 1 - HE2 LYS 16 - HG2 GLU 103 lone 0 47 - 1 - HE3 LYS 16 - HG2 GLU 103 lone 0 47 - 1 - HB2 ASN 10 - HG3 GLU 111 lone 0 62 - 1 - HB2 ASN 10 - HG2 GLU 69 lone 0 51 - 1 - HB2 ASN 33 - HG2 GLU 103 lone 0 47 - 1 - HD3 ARG 30 - HG2 GLU 103 lone 0 53 - 1 - HB2 ASP 34 - HG2 GLU 103 lone 0 44 - 1 - HB2 ASN 10 - HG2 GLU 103 lone 0 37 - 1 - Peak 11303 from cnoeabs.peaks (2.92, 2.31, 36.01 ppm; 3.92 A): 3 out of 90 assignments used, quality = 0.49: HB2 ASP 86 + HG3 GLU 89 OK 25 94 - 27 - ~10048=6, 11302/1.8=6...(7) HB3 ASN 88 + HG3 GLU 89 OK 24 84 - 29 - 4.2/5769=10, 11301/3.0=5...(7) HB3 ASN 88 + HG2 GLU 92 OK 11 78 - 14 - 4.2/5769=7, 11084/1.8=2...(4) HE2 LYS 65 - HG3 GLU 89 lone 9 100 - 9 - 3.0/11467=2, 3.0/11467=2 HE3 LYS 65 - HG3 GLU 89 lone 9 100 - 9 - 3.0/11467=2, 3.0/11467=2 HE3 LYS 115 - HG3 GLU 13 lone 6 94 - 7 - 3.0/11467=2, 3.0/11467=2 HE2 LYS 115 - HG3 GLU 13 lone 6 94 - 7 - 3.0/11467=2, 3.0/11467=2 HE3 LYS 115 - HG3 GLU 89 lone 5 94 - 5 - 3.0/11467=1, 3.0/11467=1 HE2 LYS 115 - HG3 GLU 89 lone 5 94 - 5 - 3.0/11467=1, 3.0/11467=1 HE2 LYS 65 - HG2 GLU 92 lone 4 97 - 4 - 3.0/11467=1, 3.0/11467=1 HE3 LYS 65 - HG2 GLU 92 lone 4 97 - 4 - 3.0/11467=1, 3.0/11467=1 HE3 LYS 17 - HG3 GLU 13 lone 4 65 - 6 - ~11216=4, 7.2/7352=2 HB2 ASP 34 - HG3 GLU 89 lone 3 94 - 3 - 557/5.2=1 HE2 LYS 16 - HG3 GLU 13 lone 3 95 - 3 - ~11216=2 HE3 LYS 16 - HG3 GLU 13 lone 3 95 - 3 - ~11216=2 HB2 ASP 86 - HG2 GLU 92 lone 2 89 - 3 - HE3 LYS 115 - HG2 GLU 92 lone 2 89 - 3 - HE2 LYS 115 - HG2 GLU 92 lone 2 89 - 3 - HB3 ASN 88 - HG3 GLU 103 lone 2 33 - 7 - ~11014=4, ~8174=1 HE3 LYS 65 - HG3 GLU 13 lone 2 100 - 2 - HE2 LYS 65 - HG3 GLU 13 lone 2 100 - 2 - HB2 ASN 33 - HG3 GLU 89 lone 2 96 - 2 - HE3 LYS 16 - HG3 GLU 89 lone 1 96 - 1 - HE2 LYS 16 - HG3 GLU 89 lone 1 96 - 1 - HB3 ASN 88 - HG3 GLU 13 lone 1 84 - 2 - HE3 LYS 44 - HG2 GLU 92 lone 1 82 - 1 - HE2 LYS 44 - HG2 GLU 92 lone 1 82 - 1 - HE2 LYS 65 - HG3 GLU 48 lone 1 90 - 1 - HE3 LYS 65 - HG3 GLU 48 lone 1 90 - 1 - HE2 LYS 96 - HG2 GLU 92 lone 1 82 - 1 - HE3 LYS 96 - HG2 GLU 92 lone 1 82 - 1 - HE3 LYS 94 - HG2 GLU 92 lone 1 97 - 1 - HE3 LYS 94 - HG3 GLU 89 lone 1 100 - 1 - HB2 ASN 10 - HG3 GLU 89 lone 1 87 - 1 - HE3 LYS 115 - HG3 GLU 48 lone 1 81 - 1 - HE2 LYS 115 - HG3 GLU 48 lone 1 81 - 1 - HB2 ASP 86 - HG3 GLU 48 lone 1 81 - 1 - HE3 LYS 17 - HG3 GLU 89 lone 1 65 - 1 - HB3 ASN 88 - HG3 GLU 48 lone 1 70 - 1 - HE2 LYS 96 - HG3 GLU 89 lone 1 87 - 1 - HE3 LYS 96 - HG3 GLU 89 lone 1 87 - 1 - HE2 LYS 96 - HG3 GLU 13 lone 1 87 - 1 - HE3 LYS 96 - HG3 GLU 13 lone 1 87 - 1 - HB2 ASP 34 - HG2 GLU 92 lone 1 89 - 1 - HE3 LYS 44 - HG3 GLU 89 lone 1 87 - 1 - HE2 LYS 44 - HG3 GLU 89 lone 1 87 - 1 - HE2 LYS 16 - HG2 GLU 92 lone 1 91 - 1 - HE3 LYS 16 - HG2 GLU 92 lone 1 91 - 1 - HB2 ASN 33 - HG2 GLU 92 lone 1 91 - 1 - HE3 LYS 65 - HG3 GLU 103 lone 1 46 - 2 - HE2 LYS 65 - HG3 GLU 103 lone 1 46 - 2 - HE3 LYS 94 - HG3 GLU 13 lone 1 100 - 1 - HB2 ASP 86 - HG3 GLU 103 lone 1 40 - 2 - HB2 ASP 86 - HG3 GLU 13 lone 1 94 - 1 - HE2 LYS 115 - HG3 GLU 103 lone 1 40 - 1 - HE3 LYS 115 - HG3 GLU 103 lone 1 40 - 1 - HE2 LYS 44 - HG3 GLU 13 lone 0 87 - 1 - HE3 LYS 44 - HG3 GLU 13 lone 0 87 - 1 - HB2 ASN 10 - HG2 GLU 92 lone 0 82 - 1 - HB2 ASP 34 - HG3 GLU 13 lone 0 94 - 0 - HB2 ASN 33 - HG3 GLU 13 lone 0 95 - 0 - HD3 ARG 30 - HG2 GLU 92 lone 0 72 - 1 - HE3 LYS 94 - HG3 GLU 48 lone 0 90 - 0 - HD3 ARG 30 - HG3 GLU 89 lone 0 77 - 1 - HE3 LYS 17 - HG2 GLU 92 lone 0 61 - 1 - HB2 ASN 10 - HG3 GLU 13 lone 0 87 - 0 - HE2 LYS 16 - HG3 GLU 48 lone 0 83 - 0 - HE3 LYS 16 - HG3 GLU 48 lone 0 83 - 0 - HB2 ASN 33 - HG3 GLU 48 lone 0 83 - 0 - HB2 ASP 34 - HG3 GLU 48 lone 0 81 - 0 - HD3 ARG 30 - HG3 GLU 13 lone 0 77 - 0 - HE3 LYS 44 - HG3 GLU 48 lone 0 73 - 0 - HE2 LYS 44 - HG3 GLU 48 lone 0 73 - 0 - HE3 LYS 96 - HG3 GLU 48 lone 0 73 - 0 - HE2 LYS 96 - HG3 GLU 48 lone 0 73 - 0 - HB2 ASN 10 - HG3 GLU 48 lone 0 73 - 0 - HE2 LYS 16 - HG3 GLU 103 lone 0 41 - 1 - HE3 LYS 16 - HG3 GLU 103 lone 0 41 - 1 - HD3 ARG 30 - HG3 GLU 48 lone 0 64 - 0 - HE3 LYS 94 - HG3 GLU 103 lone 0 47 - 1 - HE3 LYS 17 - HG3 GLU 48 lone 0 53 - 1 - HE2 LYS 96 - HG3 GLU 103 lone 0 35 - 1 - HE3 LYS 96 - HG3 GLU 103 lone 0 35 - 1 - HE2 LYS 44 - HG3 GLU 103 lone 0 35 - 1 - HE3 LYS 44 - HG3 GLU 103 lone 0 35 - 1 - HB2 ASN 33 - HG3 GLU 103 lone 0 41 - 1 - HB2 ASP 34 - HG3 GLU 103 lone 0 40 - 1 - HE3 LYS 17 - HG3 GLU 103 lone 0 24 - 1 - HB2 ASN 10 - HG3 GLU 103 lone 0 35 - 1 - HD3 ARG 30 - HG3 GLU 103 lone 0 30 - 1 - Peak 11304 from cnoeabs.peaks (2.83, 2.04, 29.24 ppm; 3.38 A): 0 out of 48 assignments used, low quality = 0.35: HB2 ASN 88 - HB3 GLU 89 OK 19 65 - 29 - 556/4.0=10, 1.8/11301=5...(10) HB2 ASN 88 - HB2 GLU 89 OK 19 65 - 29 - 556/4.0=10, 1.8/11301=5...(10) HB2 ASP 109 - HB2 GLU 66 lone 6 73 - 8 - 10356/3.0=3, 10358/1.8=1 HB2 ASP 109 - HB3 GLU 89 lone 5 73 - 6 - ~10362=3, 10342/4.0=1 HB2 ASP 109 - HB2 GLU 89 lone 5 73 - 6 - ~10362=3, 10342/4.0=1 HB2 ASP 109 - HB3 GLN 85 lone 4 69 - 7 - 10356/3.0=2, 10356/3.0=2 HB3 GLN 25 - HB3 GLU 98 poor 3 29 - 11 - ~10160=7, ~6207=2, 4.4/11666=1 HB3 GLN 25 - HB2 GLU 89 lone 2 70 - 3 - HB3 GLN 25 - HB3 GLU 89 lone 2 70 - 3 - HB3 GLN 25 - HB2 GLU 66 lone 1 69 - 2 - HB2 ASN 88 - HB2 GLU 66 lone 1 65 - 2 - HB3 GLN 25 - HB3 GLN 85 lone 1 65 - 2 - HB2 ASP 36 - HB2 GLU 66 lone 1 92 - 1 - HB2 ASN 88 - HB3 GLN 85 lone 1 61 - 1 - HE2 LYS 17 - HB3 GLU 89 lone 1 73 - 1 - HE2 LYS 17 - HB2 GLU 89 lone 1 73 - 1 - HB3 ASN 10 - HB3 GLU 89 lone 1 77 - 1 - HB3 ASN 10 - HB2 GLU 89 lone 1 77 - 1 - HB2 ASP 36 - HB2 GLU 89 lone 1 92 - 1 - HB2 ASP 36 - HB3 GLU 89 lone 1 92 - 1 - HB3 TYR 76 - HB3 GLU 89 lone 1 73 - 1 - HB3 TYR 76 - HB2 GLU 89 lone 1 73 - 1 - HB3 GLN 25 - HB3 GLN 100 lone 0 56 - 1 - HB3 TYR 76 - HB2 GLU 66 lone 0 73 - 1 - HE2 LYS 77 - HB2 GLU 66 lone 0 97 - 0 - HB3 ASN 10 - HB2 GLU 66 lone 0 77 - 0 - HE2 LYS 77 - HB2 GLU 89 lone 0 97 - 0 - HE2 LYS 77 - HB3 GLU 89 lone 0 97 - 0 - HB3 TYR 76 - HB3 GLN 100 lone 0 60 - 1 - HB2 ASN 88 - HB3 GLN 100 lone 0 53 - 1 - HE2 LYS 77 - HB3 GLN 85 lone 0 94 - 0 - HB3 TYR 76 - HB3 GLN 85 lone 0 69 - 0 - HB2 ASP 36 - HB3 GLN 85 lone 0 88 - 0 - HB3 ASN 10 - HB3 GLN 85 lone 0 73 - 0 - HE2 LYS 17 - HB2 GLU 66 lone 0 73 - 0 - HE2 LYS 77 - HB3 GLN 100 lone 0 84 - 0 - HB2 ASP 109 - HB3 GLN 100 lone 0 60 - 0 - HB2 ASP 36 - HB3 GLN 100 lone 0 78 - 0 - HE2 LYS 17 - HB3 GLN 85 lone 0 69 - 0 - HB3 ASN 10 - HB3 GLN 100 lone 0 63 - 0 - HE2 LYS 17 - HB3 GLN 100 lone 0 60 - 0 - HB2 ASP 109 - HB3 GLU 98 lone 0 31 - 1 - HB2 ASN 88 - HB3 GLU 98 lone 0 27 - 1 - HE2 LYS 77 - HB3 GLU 98 lone 0 46 - 0 - HB2 ASP 36 - HB3 GLU 98 lone 0 42 - 0 - HB3 TYR 76 - HB3 GLU 98 lone 0 31 - 0 - HB3 ASN 10 - HB3 GLU 98 lone 0 33 - 0 - HE2 LYS 17 - HB3 GLU 98 lone 0 31 - 0 - Peak 11306 from cnoeabs.peaks (8.42, 0.90, 24.86 ppm; 5.81 A): 1 out of 3 assignments used, quality = 0.51: H GLN 83 + QD1 LEU 90 OK 51 73 - 70 - ~10074=25, 4.5/11577=19...(10) H GLN 62 - QD1 LEU 90 lone 2 84 - 3 - H ASN 10 - QD1 LEU 90 lone 2 61 - 4 - 4.6/5803=2 Peak 11307 from cnoeabs.peaks (0.90, 2.92, 41.78 ppm; 4.21 A): 7 out of 88 assignments used, quality = 0.76: QG2 VAL 104 + HE3 LYS 94 OK 24 84 - 29 - 2.1/10234=11...(6) QD2 LEU 70 + HE3 LYS 94 OK 22 98 - 23 - 10101/5.7=4, 10977/4.8=3...(9) QD1 LEU 90 + HE3 LYS 94 OK 22 98 - 23 - 10101/5.7=4, 10977/4.8=3...(8) QD1 LEU 70 + HE3 LYS 94 OK 22 94 - 23 - 10101/5.7=4, 10977/4.8=3...(9) QG2 VAL 104 + HE3 LYS 115 OK 13 70 - 19 - 2.1/10234=5, 11509/3.7=4...(6) QG2 VAL 104 + HE2 LYS 115 OK 13 70 - 19 - 2.1/10234=5, 11509/3.7=4...(6) QD2 LEU 90 + HE3 LYS 94 OK 10 77 - 13 - 10979/4.8=2, ~10982=2...(6) QG2 VAL 29 - HE3 LYS 94 lone 8 100 - 8 - 10977/4.8=1, 10101/5.7=1 QD2 LEU 38 - HE3 LYS 94 lone 7 96 - 7 - 10101/5.7=1 QD1 LEU 90 - HE2 LYS 65 lone 6 98 - 6 - 10981/3.7=3 QD1 LEU 90 - HE3 LYS 65 lone 6 98 - 6 - 10981/3.7=3 QG2 VAL 104 - HE2 LYS 65 lone 5 84 - 6 - 2.1/10234=2, ~10234=1 QG2 VAL 104 - HE3 LYS 65 lone 5 84 - 6 - 2.1/10234=2, ~10234=1 QD2 LEU 70 - HE2 LYS 65 lone 3 98 - 4 - QD2 LEU 70 - HE3 LYS 65 lone 3 98 - 4 - QD1 LEU 70 - HE2 LYS 65 lone 3 94 - 4 - 10981/3.7=1 QD1 LEU 70 - HE3 LYS 65 lone 3 94 - 4 - 10981/3.7=1 HG13 ILE 54 - HE3 LYS 94 lone 3 81 - 3 - HG13 ILE 54 - HE2 LYS 65 lone 3 80 - 3 - HG13 ILE 54 - HE3 LYS 65 lone 3 80 - 3 - QD2 LEU 90 - HE3 LYS 65 lone 2 77 - 3 - QD2 LEU 90 - HE2 LYS 65 lone 2 77 - 3 - QD1 LEU 70 - HE3 LYS 115 lone 2 81 - 2 - QD1 LEU 70 - HE2 LYS 115 lone 2 81 - 2 - QD2 LEU 38 - HE2 LYS 65 lone 2 95 - 2 - QD2 LEU 38 - HE3 LYS 65 lone 2 95 - 2 - QG2 VAL 29 - HE3 LYS 115 lone 2 90 - 2 - QG2 VAL 29 - HE2 LYS 115 lone 2 90 - 2 - QG2 VAL 104 - HE2 LYS 96 lone 2 50 - 3 - 2.1/10234=1 QG2 VAL 104 - HE3 LYS 96 lone 2 50 - 3 - 2.1/10234=1 QD2 LEU 38 - HE3 LYS 16 lone 1 86 - 2 - QD2 LEU 38 - HE2 LYS 16 lone 1 86 - 2 - QD2 LEU 70 - HE2 LYS 115 lone 1 86 - 2 - QD2 LEU 70 - HE3 LYS 115 lone 1 86 - 2 - QG2 VAL 104 - HE3 LYS 16 lone 1 73 - 1 - QG2 VAL 104 - HE2 LYS 16 lone 1 73 - 1 - QD2 LEU 38 - HE2 LYS 115 lone 1 83 - 1 - QD2 LEU 38 - HE3 LYS 115 lone 1 83 - 1 - QD1 LEU 90 - HE3 LYS 115 lone 1 86 - 1 - QD1 LEU 90 - HE2 LYS 115 lone 1 86 - 1 - QG2 VAL 29 - HE2 LYS 65 lone 1 100 - 1 - QG2 VAL 29 - HE3 LYS 65 lone 1 100 - 1 - HG13 ILE 54 - HE3 LYS 16 lone 1 70 - 1 - HG13 ILE 54 - HE2 LYS 16 lone 1 70 - 1 - HG13 ILE 54 - HE2 LYS 115 lone 1 67 - 1 - HG13 ILE 54 - HE3 LYS 115 lone 1 67 - 1 - QG2 VAL 104 - HE2 LYS 44 lone 1 50 - 2 - QG2 VAL 104 - HE3 LYS 44 lone 1 50 - 2 - QD1 LEU 70 - HE2 LYS 96 lone 1 59 - 1 - QD1 LEU 70 - HE3 LYS 96 lone 1 59 - 1 - QG2 VAL 29 - HE3 LYS 16 lone 1 93 - 1 - QG2 VAL 29 - HE2 LYS 16 lone 1 93 - 1 - QD1 LEU 90 - HE3 LYS 16 lone 1 89 - 1 - QD1 LEU 90 - HE2 LYS 16 lone 1 89 - 1 - HG13 ILE 54 - HE2 LYS 96 lone 1 48 - 2 - HG13 ILE 54 - HE3 LYS 96 lone 1 48 - 2 - QD2 LEU 70 - HE2 LYS 16 lone 1 89 - 1 - QD2 LEU 70 - HE3 LYS 16 lone 1 89 - 1 - QD1 LEU 70 - HE3 LYS 44 lone 1 59 - 1 - QD1 LEU 70 - HE2 LYS 44 lone 1 59 - 1 - QD1 LEU 70 - HE3 LYS 16 lone 1 84 - 1 - QD1 LEU 70 - HE2 LYS 16 lone 1 84 - 1 - HG13 ILE 54 - HE2 LYS 44 lone 1 48 - 1 - HG13 ILE 54 - HE3 LYS 44 lone 1 48 - 1 - QD1 LEU 90 - HE2 LYS 96 lone 1 64 - 1 - QD1 LEU 90 - HE3 LYS 96 lone 1 64 - 1 - QD2 LEU 90 - HE2 LYS 115 lone 1 64 - 1 - QD2 LEU 90 - HE3 LYS 115 lone 1 64 - 1 - QD2 LEU 70 - HE3 LYS 96 lone 1 64 - 1 - QD2 LEU 70 - HE2 LYS 96 lone 1 64 - 1 - QD2 LEU 70 - HE2 LYS 44 lone 1 64 - 1 - QD2 LEU 70 - HE3 LYS 44 lone 1 64 - 1 - QD1 LEU 90 - HE3 LYS 44 lone 1 64 - 1 - QD1 LEU 90 - HE2 LYS 44 lone 1 64 - 1 - QG2 VAL 29 - HE2 LYS 96 lone 1 68 - 1 - QG2 VAL 29 - HE3 LYS 96 lone 1 68 - 1 - QD2 LEU 90 - HE3 LYS 16 lone 1 67 - 1 - QD2 LEU 90 - HE2 LYS 16 lone 1 67 - 1 - QG2 VAL 29 - HE3 LYS 44 lone 1 68 - 1 - QG2 VAL 29 - HE2 LYS 44 lone 1 68 - 1 - QD2 LEU 38 - HE3 LYS 44 lone 0 61 - 1 - QD2 LEU 38 - HE2 LYS 44 lone 0 61 - 1 - QD2 LEU 38 - HE3 LYS 96 lone 0 61 - 1 - QD2 LEU 38 - HE2 LYS 96 lone 0 61 - 1 - QD2 LEU 90 - HE3 LYS 96 lone 0 45 - 1 - QD2 LEU 90 - HE2 LYS 96 lone 0 45 - 1 - QD2 LEU 90 - HE3 LYS 44 lone 0 45 - 1 - QD2 LEU 90 - HE2 LYS 44 lone 0 45 - 1 - Peak 11308 from cnoeabs.peaks (0.89, 3.02, 41.78 ppm; 5.79 A): 6 out of 35 assignments used, quality = 0.82: QG2 VAL 104 + HE2 LYS 94 OK 42 99 - 42 - ~10234=14, 11509/3.8=11...(6) QD2 LEU 70 + HE2 LYS 94 OK 25 77 - 33 - 10979/4.8=5, 10977/4.8=4...(9) QD1 LEU 90 + HE2 LYS 94 OK 24 77 - 31 - 10979/4.8=5, 10977/4.8=5...(9) QD2 LEU 90 + HE2 LYS 94 OK 24 98 - 24 - 10979/4.8=4, ~10982=4...(7) QD1 LEU 70 + HE2 LYS 94 OK 21 65 - 32 - 10979/4.8=5, 10977/4.8=4...(9) QG2 VAL 29 + HE2 LYS 94 OK 11 96 - 11 - 10979/4.8=2, 10977/4.8=2...(6) QD2 LEU 38 - HE2 LYS 94 lone 9 100 - 9 - 10979/4.8=2, 11307/1.8=1...(4) QD2 LEU 38 - HE2 LYS 123 lone 6 96 - 7 - 9386/7.0=1 QD2 LEU 38 - HE3 LYS 123 lone 5 83 - 7 - 9386/7.0=1 QD1 LEU 70 - HE2 LYS 123 lone 5 58 - 8 - 5058/3.9=1, 10457/5.1=1 QD2 LEU 70 - HE2 LYS 123 lone 4 70 - 6 - QG2 VAL 104 - HE2 LYS 123 lone 4 94 - 4 - QD1 LEU 70 - HE3 LYS 123 lone 4 47 - 8 - 5058/3.9=1, 10457/5.1=1 QD2 LEU 70 - HE3 LYS 123 lone 4 57 - 6 - QG2 VAL 104 - HE3 LYS 123 lone 3 81 - 4 - QD2 LEU 38 - HE2 LYS 49 lone 3 99 - 3 - QD2 LEU 38 - HE3 LYS 49 lone 3 99 - 3 - QG2 VAL 29 - HE2 LYS 123 lone 3 89 - 3 - QD2 LEU 90 - HE2 LYS 123 lone 2 92 - 3 - QG2 VAL 29 - HE3 LYS 123 lone 2 75 - 3 - QD2 LEU 90 - HE3 LYS 123 lone 2 78 - 3 - QG2 VAL 104 - HE3 LYS 49 lone 2 97 - 2 - QG2 VAL 104 - HE2 LYS 49 lone 2 97 - 2 - QD1 LEU 90 - HE3 LYS 49 lone 2 74 - 2 - QD1 LEU 90 - HE2 LYS 49 lone 2 74 - 2 - QD1 LEU 90 - HE2 LYS 123 lone 2 70 - 2 - QD2 LEU 90 - HE3 LYS 49 lone 2 96 - 2 - QD2 LEU 90 - HE2 LYS 49 lone 2 96 - 2 - QG2 VAL 29 - HE3 LYS 49 lone 2 93 - 2 - QG2 VAL 29 - HE2 LYS 49 lone 2 93 - 2 - QD2 LEU 70 - HE3 LYS 49 lone 1 74 - 2 - QD2 LEU 70 - HE2 LYS 49 lone 1 74 - 2 - QD1 LEU 90 - HE3 LYS 123 lone 1 57 - 2 - QD1 LEU 70 - HE3 LYS 49 lone 1 62 - 2 - QD1 LEU 70 - HE2 LYS 49 lone 1 62 - 2 - Peak 11309 from cnoeabs.peaks (4.34, 1.57, 24.91 ppm; 4.88 A): 4 out of 12 assignments used, quality = 0.89: HA SER 99 + HG3 LYS 96 OK 71 100 - 71 - 8210/2.9=24, 8208/2.9=15...(14) HA PHE 93 + HG3 LYS 96 OK 46 100 - 46 - 8210/2.9=12, 10085=8...(8) HA GLU 98 + HG3 LYS 96 OK 21 99 - 21 - 8210/2.9=5, 2164/5.1=4...(6) HA SER 99 + HG2 LYS 115 OK 14 86 - 16 - 10085=3, ~10460=3...(5) HA SER 99 - HG2 LYS 44 lone 7 73 - 9 - 8206/1640=2, 8208/2.9=1...(5) HA GLN 85 - HG3 LYS 96 lone 7 97 - 6 - 8210/2.9=2, 8208/2.9=1 HA PHE 93 - HG2 LYS 44 lone 6 73 - 8 - 8206/1640=1, 8208/2.9=1 HA PHE 93 - HG2 LYS 115 lone 4 87 - 5 - 10085=1, 7.2/10463=1 HA GLU 98 - HG2 LYS 115 lone 3 84 - 4 - 10238/10227=1 HA GLU 98 - HG2 LYS 44 lone 2 70 - 3 - HA GLN 85 - HG2 LYS 115 lone 2 81 - 2 - HA GLN 85 - HG2 LYS 44 lone 1 68 - 1 - Peak 11310 from cnoeabs.peaks (4.33, 1.68, 28.89 ppm; 3.55 A): 6 out of 54 assignments used, quality = 0.83: HA SER 99 + HD3 LYS 96 OK 38 96 - 40 - 8210/3.4=12, 8208/3.4=8...(11) HA SER 99 + HD2 LYS 96 OK 37 95 - 39 - 8210/3.4=12, 8208/3.4=8...(11) HA PHE 93 + HD3 LYS 96 OK 23 99 - 23 - 8210/3.4=6, 11309/3.0=4...(8) HA PHE 93 + HD2 LYS 96 OK 23 98 - 23 - 8210/3.4=6, 11309/3.0=4...(8) HA SER 99 + HD3 LYS 20 OK 14 87 - 16 - 10087/3.0=2, 10087/3.0=2...(8) HA SER 99 + HD2 LYS 20 OK 13 85 - 16 - 10087/3.0=2, 10087/3.0=2...(7) HA GLU 98 - HD3 LYS 96 lone 8 100 - 8 - 8210/3.4=3, 11309/3.0=2...(4) HA GLU 98 - HD2 LYS 96 lone 8 100 - 8 - 8210/3.4=3, 11309/3.0=2...(4) HA PHE 93 - HD3 LYS 20 lone 4 91 - 4 - HA PHE 93 - HD2 LYS 20 lone 4 89 - 4 - HA PHE 93 - HD3 LYS 43 lone 3 94 - 3 - HA PHE 93 - HD2 LYS 43 lone 3 91 - 3 - HA GLN 85 - HD3 LYS 96 lone 3 100 - 3 - HA GLN 85 - HD2 LYS 96 lone 3 100 - 3 - HA SER 99 - HD3 LYS 43 lone 3 90 - 3 - HA SER 99 - HD2 LYS 43 lone 3 87 - 3 - HA SER 99 - HD3 LYS 73 lone 3 90 - 3 - HA SER 99 - HD2 LYS 73 lone 3 89 - 3 - HA PHE 93 - HD3 LYS 73 lone 2 94 - 3 - HA PHE 93 - HD2 LYS 73 lone 2 94 - 3 - HB THR 9 - HD3 LYS 96 lone 1 81 - 2 - HB THR 9 - HD2 LYS 96 lone 1 80 - 2 - HB THR 9 - HD3 LYS 43 lone 1 74 - 1 - HB THR 9 - HD2 LYS 43 lone 1 71 - 1 - HA GLU 98 - HG12 ILE 71 lone 1 58 - 2 - HA GLU 98 - HD3 LYS 43 lone 1 96 - 1 - HA GLU 98 - HD2 LYS 43 lone 1 94 - 1 - HA GLU 98 - HD3 LYS 73 lone 1 96 - 1 - HA GLU 98 - HD2 LYS 73 lone 1 96 - 1 - HA PHE 93 - HG12 ILE 71 lone 1 56 - 1 - HA GLU 98 - HD3 LYS 20 lone 1 94 - 1 - HA LYS 49 - HG12 ILE 71 lone 1 33 - 2 - HA GLN 85 - HG12 ILE 71 lone 1 58 - 1 - HA GLU 98 - HD2 LYS 20 lone 1 92 - 1 - HA GLN 85 - HD3 LYS 73 lone 1 96 - 1 - HA GLN 85 - HD2 LYS 73 lone 1 96 - 1 - HA GLN 85 - HD3 LYS 43 lone 1 96 - 1 - HA GLN 85 - HD2 LYS 43 lone 1 94 - 1 - HA GLN 85 - HD3 LYS 20 lone 0 94 - 1 - HA GLN 85 - HD2 LYS 20 lone 0 92 - 1 - HA LYS 49 - HD3 LYS 96 lone 0 70 - 1 - HB THR 9 - HD3 LYS 20 lone 0 71 - 1 - HA LYS 49 - HD2 LYS 96 lone 0 69 - 1 - HB THR 9 - HD2 LYS 20 lone 0 69 - 1 - HB THR 9 - HD3 LYS 73 lone 0 74 - 0 - HB THR 9 - HD2 LYS 73 lone 0 73 - 0 - HA SER 99 - HG12 ILE 71 lone 0 52 - 1 - HA LYS 49 - HD3 LYS 20 lone 0 60 - 1 - HA LYS 49 - HD2 LYS 20 lone 0 59 - 1 - HA LYS 49 - HD3 LYS 73 lone 0 63 - 0 - HA LYS 49 - HD2 LYS 73 lone 0 63 - 0 - HA LYS 49 - HD3 LYS 43 lone 0 63 - 0 - HA LYS 49 - HD2 LYS 43 lone 0 60 - 0 - HB THR 9 - HG12 ILE 71 lone 0 40 - 0 - Peak 11311 from cnoeabs.peaks (7.63, 3.94, 62.57 ppm; 6.20 A): 6 out of 20 assignments used, quality = 0.85: H GLN 100 + HA ILE 97 OK 57 99 - 58 - 4.6/2176=23...(9) H GLU 69 + HA ILE 97 OK 32 100 - 32 - 4.9/9753=15, 4.6/2112=6...(5) H GLN 100 + HB3 SER 35 OK 19 56 - 33 - 6.9/10148=6, 6.9/10165=6...(8) H ASP 34 + HB3 SER 35 OK 17 45 - 37 - 4.5/1221=36 H GLU 69 + HB3 SER 35 OK 12 59 - 21 - 4.6/2112=6, 2105=5...(4) H LYS 115 + HA ILE 97 OK 11 90 - 13 - 724/3.2=5, ~8262=5 H ASP 34 - HA ILE 97 lone 5 87 - 6 - 4.5/1221=2 HE21 GLN 85 - HA ILE 97 lone 5 99 - 5 - ~10151=1 H LEU 64 - HA ILE 97 lone 4 100 - 4 - H ALA 46 - HA ILE 97 lone 3 94 - 3 - HD21 ASN 50 - HA ILE 97 lone 3 99 - 3 - H ALA 46 - HB3 SER 35 lone 2 51 - 4 - H LEU 64 - HB3 SER 35 lone 2 58 - 3 - HD21 ASN 10 - HA ILE 97 lone 2 84 - 2 - H LYS 115 - HB3 SER 35 lone 2 47 - 3 - H LEU 74 - HA ILE 97 lone 1 61 - 2 - HE21 GLN 85 - HB3 SER 35 lone 1 57 - 2 - HD21 ASN 50 - HB3 SER 35 lone 1 56 - 2 - HD21 ASN 10 - HB3 SER 35 lone 1 43 - 2 - H LEU 74 - HB3 SER 35 lone 1 29 - 2 - Peak 11312 from cnoeabs.peaks (7.22, 0.36, 11.90 ppm; 4.91 A): 1 out of 1 assignment used, quality = 0.81: QD PHE 93 + QD1 ILE 97 OK 81 99 - 81 - 2.2/10142=38, ~4678=27...(11) Peak 11313 from cnoeabs.peaks (8.28, 3.98, 57.26 ppm; 5.17 A): 0 out of 2 assignments used, low quality = 0.40: H GLU 13 - HA LEU 14 OK 40 90 - 45 - 62/3.0=40, 10766/4.0=7 H LYS 77 - HA LEU 14 lone 6 87 - 7 - 62/3.0=3, 4.4/10769=2 Peak 11314 from cnoeabs.peaks (7.68, 0.64, 20.11 ppm; 5.15 A): 1 out of 4 assignments used, quality = 0.50: H GLU 21 + QG1 VAL 22 OK 50 90 - 56 - 4.6/10848=24...(7) H LEU 63 - QG1 VAL 22 lone 6 99 - 6 - 2080/4.0=2 HE ARG 118 - QG1 VAL 22 lone 3 92 - 4 - HD21 ASN 24 - QG1 VAL 22 lone 2 70 - 2 - 11539/10855=1 Peak 11319 from cnoeabs.peaks (8.75, 2.71, 39.04 ppm; 4.78 A): 0 out of 2 assignments used, low quality = 0.00: H ILE 5 - HB3 ASN 50 lone 1 90 - 1 - H ILE 5 - HB2 ASN 50 lone 1 89 - 1 - Peak 11323 from cnoeabs.peaks (8.04, 3.96, 58.89 ppm; 4.64 A): 1 out of 1 assignment used, quality = 0.96: H VAL 22 + HA GLU 21 OK 96 96 - 100 - 3.6=100 Peak 11324 from cnoeabs.peaks (2.97, 3.96, 58.89 ppm; 4.41 A): 2 out of 16 assignments used, quality = 0.58: HB2 ASN 24 + HA GLU 21 OK 35 100 - 35 - 8025=14, 1.8/8023=13 HB3 ASN 24 + HA GLU 21 OK 35 100 - 35 - 8025=14, 1.8/8023=13 HD3 ARG 118 - HA GLU 21 lone 7 100 - 7 - ~11173=2, ~3128=2, ~3134=2 HE2 LYS 20 - HA GLU 21 lone 1 99 - 1 - HE3 LYS 20 - HA GLU 21 lone 1 99 - 1 - HE3 LYS 40 - HA GLU 21 lone 1 100 - 1 - HE2 LYS 40 - HA GLU 21 lone 1 100 - 1 - HE3 LYS 43 - HA GLU 21 lone 1 97 - 1 - HE3 LYS 73 - HA GLU 21 lone 1 94 - 1 - HB3 PHE 51 - HA GLU 21 lone 1 100 - 1 - HE2 LYS 43 - HA GLU 21 lone 1 87 - 1 - HE2 LYS 39 - HA GLU 21 lone 1 90 - 1 - HE2 LYS 73 - HA GLU 21 lone 1 81 - 1 - HE3 LYS 39 - HA GLU 21 lone 1 84 - 1 - HE3 LYS 106 - HA GLU 21 lone 1 77 - 1 - HE2 LYS 106 - HA GLU 21 lone 1 73 - 1 - Peak 11325 from cnoeabs.peaks (8.81, 0.91, 27.42 ppm; 5.49 A): 1 out of 1 assignment used, quality = 0.99: H ILE 54 + HG13 ILE 54 OK 99 99 - 100 - 4.6=100 Peak 11326 from cnoeabs.peaks (9.08, 1.25, 27.42 ppm; 5.28 A): 1 out of 2 assignments used, quality = 0.77: H LEU 4 + HG12 ILE 54 OK 77 100 - 77 - ~9486=23, 4.4/11235=22...(8) H LEU 81 - HG12 ILE 54 lone 5 73 - 6 - 3.8/11624=3, 3.8/11621=2 Peak 11328 from cnoeabs.peaks (1.45, 1.68, 41.95 ppm; 3.92 A): 4 out of 18 assignments used, quality = 0.97: HG LEU 4 + HB ILE 54 OK 65 99 - 65 - 3.7/9486=20...(11) HB2 LEU 4 + HB ILE 54 OK 64 94 - 69 - 3.0/9486=22...(14) HB3 LEU 4 + HB ILE 54 OK 64 94 - 69 - 3.0/9486=22...(14) HG3 ARG 30 + HB ILE 54 OK 44 98 - 45 - ~9498=10, ~9263=9...(8) HG12 ILE 56 - HB ILE 54 OK 25 61 - 41 - ~11708=20, ~11705=9...(6) HB3 LEU 6 - HB ILE 54 lone 7 87 - 8 - 3.0/10950=2, 4.6/11344=2 HG12 ILE 7 - HB ILE 54 lone 4 84 - 5 - 5.3/11344=1 HB3 LEU 38 - HB ILE 54 lone 3 77 - 4 - ~11708=1, 11329/2.1=1 HG12 ILE 57 - HB ILE 54 lone 2 81 - 2 - HG2 LYS 96 - HB ILE 54 lone 1 98 - 1 - HG2 LYS 39 - HB ILE 54 lone 1 90 - 1 - HG3 LYS 17 - HB ILE 54 lone 1 70 - 2 - HG3 LYS 44 - HB ILE 54 lone 1 96 - 1 - HG LEU 80 - HB ILE 54 lone 1 99 - 1 - HB3 LYS 61 - HB ILE 54 lone 1 81 - 1 - HG2 LYS 106 - HB ILE 54 lone 1 81 - 1 - HG3 LYS 49 - HB ILE 54 lone 1 87 - 1 - HG2 LYS 49 - HB ILE 54 lone 1 87 - 1 - Peak 11329 from cnoeabs.peaks (1.45, 0.75, 17.84 ppm; 3.34 A): 4 out of 17 assignments used, quality = 0.90: HG LEU 4 + QG2 ILE 54 OK 48 100 - 48 - 2.1/4389=11, 3.7/9490=8...(12) HB2 LEU 4 + QG2 ILE 54 OK 46 84 - 55 - ~9486=10, 3.1/4389=9...(17) HB3 LEU 4 + QG2 ILE 54 OK 46 84 - 55 - ~9486=10, 3.1/4389=9...(17) HG3 ARG 30 + QG2 ILE 54 OK 38 100 - 38 - 3.0/9498=11, 3.9/9488=6...(10) HB3 LEU 6 - QG2 ILE 54 lone 5 96 - 6 - ~10950=1 HB3 LEU 38 - QG2 ILE 54 lone 5 90 - 6 - 3.1/11708=2 HG12 ILE 7 - QG2 ILE 54 lone 4 94 - 5 - HG12 ILE 57 - QG2 ILE 54 lone 3 92 - 4 - 9575/9489=2 HB3 LYS 61 - QG2 ILE 54 lone 2 65 - 2 - 4.6/9665=2 HG2 LYS 96 - QG2 ILE 54 lone 1 92 - 1 - HG3 LYS 44 - QG2 ILE 54 lone 1 87 - 1 - HG2 LYS 39 - QG2 ILE 54 lone 1 97 - 1 - HG LEU 80 - QG2 ILE 54 lone 1 94 - 1 - HG2 LYS 106 - QG2 ILE 54 lone 1 92 - 1 - HG2 LYS 49 - QG2 ILE 54 lone 1 96 - 1 - HG3 LYS 49 - QG2 ILE 54 lone 1 96 - 1 - HB2 LEU 74 - QG2 ILE 54 lone 0 73 - 1 - Peak 11330 from cnoeabs.peaks (1.48, 0.64, 13.41 ppm; 3.65 A): 3 out of 16 assignments used, quality = 0.48: HG2 ARG 30 + QD1 ILE 54 OK 29 77 - 38 - 3.0/9264=12, ~9498=7...(9) HD2 LYS 53 + QD1 ILE 54 OK 15 100 - 15 - 1.8/9469=8, 6.2/10800=3...(4) HB3 LEU 14 + QD1 ILE 5 OK 14 50 - 27 - 3.1/11652=7, 3.0/11651=6...(8) HB3 LEU 14 - QD1 ILE 54 poor 10 73 - 13 - 3.1/11652=2, 3.0/11651=2...(7) HD2 LYS 53 - QD1 ILE 5 lone 7 78 - 10 - 4592/4598=2, ~11244=2...(5) HG3 LYS 20 - QD1 ILE 54 lone 3 98 - 3 - HB3 LEU 45 - QD1 ILE 5 lone 2 76 - 3 - HB3 LEU 45 - QD1 ILE 54 lone 2 99 - 2 - HG2 ARG 30 - QD1 ILE 5 lone 1 53 - 2 - HG3 LYS 20 - QD1 ILE 5 lone 1 74 - 2 - HG3 LYS 73 - QD1 ILE 54 lone 1 99 - 1 - HG3 LYS 73 - QD1 ILE 5 lone 1 76 - 1 - HG3 ARG 118 - QD1 ILE 54 lone 1 100 - 1 - HG3 ARG 118 - QD1 ILE 5 lone 0 78 - 1 - HB2 LEU 74 - QD1 ILE 54 lone 0 73 - 1 - HB2 LEU 74 - QD1 ILE 5 lone 0 50 - 1 - Peak 11331 from cnoeabs.peaks (2.08, 0.91, 27.42 ppm; 6.20 A): 6 out of 30 assignments used, quality = 0.88: HB3 PHE 79 + HG13 ILE 54 OK 50 98 - 51 - 9896/4.1=14, ~9492=13...(9) HB2 LYS 94 + HG13 ILE 97 OK 38 41 - 94 - ~10125=36, ~10104=33...(13) HB2 GLN 28 + HG13 ILE 54 OK 37 61 - 61 - ~11481=23, ~11486=18...(7) HG2 GLU 52 + HG13 ILE 54 OK 17 61 - 28 - ~11351=11, ~10801=8...(4) HB3 PHE 79 + HG13 ILE 97 OK 15 48 - 31 - ~10139=12, ~10150=11...(4) HB2 GLU 103 + HG13 ILE 97 OK 11 48 - 22 - 3.0/10216=18, 4.7/1690=3 HB3 MET 121 - HG13 ILE 54 lone 10 99 - 10 - ~10596=3, ~10594=2...(4) HB2 GLU 13 - HG13 ILE 54 poor 8 70 - 12 - ~11216=6, 10909/3.2=4 HB2 GLU 103 - HG13 ILE 54 lone 8 98 - 8 - 3.0/10216=5 HB2 GLU 87 - HG13 ILE 54 lone 7 84 - 8 - ~11410=3, ~11409=2, ~10974=1 HB2 LYS 94 - HG13 ILE 54 lone 7 90 - 7 - 3.0/10101=1 HG2 GLU 119 - HG13 ILE 97 poor 5 49 - 11 - 11200/3.2=4, ~10126=2, ~10117=2 HB3 GLU 91 - HG13 ILE 54 lone 4 87 - 4 - HB3 GLU 66 - HG13 ILE 54 lone 3 87 - 4 - 4.1/9700=2 HB3 GLU 66 - HG13 ILE 97 lone 3 39 - 7 - ~11066=6 HB3 GLU 112 - HG13 ILE 54 lone 2 100 - 2 - HB2 GLU 112 - HG13 ILE 54 lone 2 100 - 2 - HB3 GLU 69 - HG13 ILE 54 lone 2 96 - 2 - HG2 GLU 119 - HG13 ILE 54 lone 2 99 - 2 - HB3 GLU 69 - HG13 ILE 97 lone 2 46 - 3 - HB2 GLU 111 - HG13 ILE 54 lone 1 65 - 2 - HB3 GLU 112 - HG13 ILE 97 lone 1 51 - 2 - HB2 GLU 112 - HG13 ILE 97 lone 1 51 - 2 - HB3 MET 121 - HG13 ILE 97 lone 1 50 - 2 - HB2 GLU 13 - HG13 ILE 97 lone 1 29 - 3 - ~10116=1 HB3 GLU 91 - HG13 ILE 97 lone 1 39 - 2 - HB2 GLU 87 - HG13 ILE 97 lone 1 37 - 2 - HG2 GLU 52 - HG13 ILE 97 lone 1 25 - 3 - HB2 GLU 111 - HG13 ILE 97 lone 1 27 - 2 - HB2 GLN 28 - HG13 ILE 97 lone 0 25 - 2 - Peak 11339 from cnoeabs.peaks (0.68, 2.34, 36.01 ppm; 4.33 A): 4 out of 14 assignments used, quality = 0.84: QD1 ILE 116 + HG2 GLU 112 OK 50 100 - 50 - 10497/1.8=11, 10497=8...(13) QD1 ILE 116 + HG3 GLU 112 OK 50 100 - 50 - 10497/1.8=11, 10497=9...(13) QD2 LEU 114 + HG3 GLU 112 OK 20 96 - 21 - ~10450=3, 10447/3.0=3...(9) QD2 LEU 114 + HG2 GLU 112 OK 20 95 - 21 - ~10450=3, 10447/3.0=3...(9) QG2 ILE 97 - HG3 GLU 112 lone 1 99 - 1 - QG2 ILE 97 - HG2 GLU 112 lone 1 99 - 1 - QD1 LEU 55 - HG3 GLU 112 lone 1 98 - 1 - QD1 LEU 55 - HG2 GLU 112 lone 1 98 - 1 - QD1 ILE 56 - HG3 GLU 112 lone 1 70 - 2 - QD1 ILE 56 - HG2 GLU 112 lone 1 69 - 1 - QD2 LEU 4 - HG3 GLU 112 lone 1 100 - 1 - QD2 LEU 4 - HG2 GLU 112 lone 1 100 - 1 - QG2 ILE 56 - HG3 GLU 112 lone 1 73 - 1 - QG2 ILE 56 - HG2 GLU 112 lone 1 73 - 1 - Peak 11340 from cnoeabs.peaks (0.77, 5.35, 53.00 ppm; 4.21 A): 3 out of 11 assignments used, quality = 0.84: QD1 ILE 7 + HA LEU 6 OK 52 99 - 52 - 4.7/23=26, 10954/3.0=9...(8) QD1 LEU 80 + HA LEU 6 OK 45 100 - 45 - 9940/3.0=19...(7) QD2 LEU 80 + HA LEU 6 OK 40 99 - 40 - ~9940=14, 10954/3.0=8...(7) QG2 VAL 32 - HA LEU 6 poor 10 94 - 10 - 1055/3.6=4, 10954/3.0=2...(4) QD1 ILE 15 - HA LEU 6 lone 9 96 - 9 - 10953/3.0=1, ~7317=1...(5) QD1 LEU 81 - HA LEU 6 poor 8 70 - 12 - 2.1/2450=3, ~1048=2...(6) QD2 LEU 64 - HA LEU 6 lone 6 90 - 7 - 10953/3.0=3, 10954/3.0=2 QD1 LEU 82 - HA LEU 6 lone 6 98 - 6 - 1055/3.6=1, ~11395=1 QD2 LEU 14 - HA LEU 6 lone 4 94 - 4 - QD1 LEU 45 - HA LEU 6 lone 3 65 - 5 - QG1 VAL 107 - HA LEU 6 lone 2 94 - 2 - Peak 11342 from cnoeabs.peaks (9.22, 0.71, 25.51 ppm; 4.10 A): 1 out of 1 assignment used, quality = 0.56: H LEU 6 + QD1 LEU 6 OK 56 61 - 92 - 4.8=61, 3.0/2480=34...(12) Peak 11343 from cnoeabs.peaks (0.38, 0.73, 25.37 ppm; 3.45 A): 2 out of 4 assignments used, quality = 0.55: QD2 LEU 68 + QD2 LEU 6 OK 44 100 - 44 - 9767=23, ~9766=8...(7) QD2 LEU 68 + QD1 LEU 63 OK 21 83 - 25 - 9767=10, ~9766=4...(7) QD1 ILE 97 - QD1 LEU 63 lone 1 48 - 2 - QD1 ILE 97 - QD2 LEU 6 lone 1 65 - 1 - Peak 11347 from cnoeabs.peaks (3.74, 0.82, 21.88 ppm; 4.51 A): 1 out of 3 assignments used, quality = 0.82: HA ILE 71 + QD2 LEU 74 OK 82 100 - 82 - 9819/2.1=37, 9772/3.1=20...(14) HA LYS 61 - QD2 LEU 74 lone 4 73 - 5 - 9819/2.1=2, 11275/3.1=1 HA2 GLY 101 - QD2 LEU 74 lone 2 73 - 2 - Peak 11349 from cnoeabs.peaks (0.74, 2.91, 42.40 ppm; 4.09 A): 2 out of 10 assignments used, quality = 0.54: QD1 LEU 63 + HB2 ASP 34 OK 43 100 - 43 - 9324/3.0=15, ~11262=10...(6) QD2 LEU 6 + HB2 ASP 34 OK 19 99 - 20 - 9324/3.0=6, ~9323=4...(6) QG2 VAL 78 - HB2 ASP 34 lone 5 81 - 7 - 9324/3.0=2, 9334/4.5=1 QG2 ILE 7 - HB2 ASP 34 lone 4 99 - 4 - 9320/4.0=2 QD1 LEU 45 - HB2 ASP 34 lone 4 77 - 5 - ~9323=1, 9320/4.0=1 HG13 ILE 18 - HB2 ASP 34 lone 4 92 - 4 - 9324/3.0=1 QD2 LEU 45 - HB2 ASP 34 lone 3 81 - 4 - 9324/3.0=2 QG2 ILE 54 - HB2 ASP 34 lone 3 97 - 3 - QD2 LEU 55 - HB2 ASP 34 lone 3 100 - 3 - QG1 VAL 117 - HB2 ASP 34 lone 2 65 - 3 - Peak 11350 from cnoeabs.peaks (4.06, 2.50, 36.27 ppm; 4.20 A): 4 out of 8 assignments used, quality = 0.62: HA LYS 44 + HG3 GLU 47 OK 38 100 - 39 - 3.0/11237=10, 8093/3.0=9...(6) HA GLU 69 + HG3 GLU 47 OK 20 94 - 21 - 8093/3.0=6, 8091/3.0=6...(4) HA GLU 91 + HG3 GLU 47 OK 14 94 - 15 - 8093/3.0=3, 8091/3.0=3...(6) HA GLU 37 + HG3 GLU 47 OK 11 99 - 12 - 8093/3.0=5, 8091/3.0=4 HA3 GLY 125 - HG3 GLU 47 lone 9 100 - 9 - 8093/3.0=2, 8091/3.0=2...(4) HA2 GLY 125 - HG3 GLU 47 lone 7 87 - 8 - 8093/3.0=2, 8091/3.0=2...(4) HA LYS 96 - HG3 GLU 47 lone 6 100 - 6 - 8093/3.0=2, 8091/3.0=1 HA SER 35 - HG3 GLU 47 lone 1 65 - 2 - Peak 11351 from cnoeabs.peaks (0.64, 1.95, 33.46 ppm; 4.67 A): 0 out of 7 assignments used, low quality = 0.42: QD1 ILE 54 - HB3 GLU 52 OK 21 97 - 22 - 10800/4.7=7, 10801/1.8=7...(5) HG13 ILE 15 - HB3 GLU 52 OK 18 98 - 19 - 10801/1.8=7, ~10912=3...(6) QG1 VAL 22 - HB3 GLU 52 OK 10 99 - 10 - 10801/1.8=4, 10867/3.0=3 QD1 ILE 5 - HB3 GLU 52 poor 7 65 - 11 - 10800/4.7=3, 10801/1.8=3 QD1 LEU 4 - HB3 GLU 52 lone 7 100 - 7 - 10800/4.7=3, 10801/1.8=3 QD1 ILE 71 - HB3 GLU 52 lone 3 87 - 4 - 10801/1.8=1 QD1 ILE 56 - HB3 GLU 52 lone 1 61 - 1 - Peak 11352 from cnoeabs.peaks (2.34, 0.62, 13.41 ppm; 4.29 A): 2 out of 18 assignments used, quality = 0.84: HB3 PHE 120 + QD1 ILE 5 OK 72 100 - 72 - 2.4/4709=13, ~11658=10...(18) HB3 PHE 120 + QD1 ILE 18 OK 42 77 - 55 - 2.4/4709=9, ~7985=8...(15) HB3 PHE 120 - QD1 ILE 54 poor 10 77 - 12 - 2.4/4709=2, 10566=2...(5) HG2 GLN 83 - QD1 ILE 54 poor 9 76 - 12 - 10011/3.1=4, ~10013=4 HG2 GLN 83 - QD1 ILE 18 lone 7 76 - 9 - 10011/2.1=2, ~10013=2...(4) HG2 GLN 83 - QD1 ILE 5 lone 6 99 - 6 - 10010/11652=1 HG3 GLU 112 - QD1 ILE 18 lone 3 78 - 4 - 10425/10421=1 HG2 GLU 112 - QD1 ILE 18 lone 3 77 - 4 - 10425/10421=1 HG3 GLU 112 - QD1 ILE 5 lone 3 100 - 3 - HG2 GLU 112 - QD1 ILE 5 lone 3 100 - 3 - HG3 GLU 103 - QD1 ILE 5 lone 3 70 - 4 - 10209/11357=1 HG3 GLN 100 - QD1 ILE 5 lone 3 90 - 3 - HG3 GLN 100 - QD1 ILE 54 lone 2 64 - 3 - HG3 GLU 103 - QD1 ILE 54 lone 1 47 - 2 - HG3 GLU 112 - QD1 ILE 54 lone 1 78 - 1 - HG2 GLU 112 - QD1 ILE 54 lone 1 77 - 1 - HG3 GLU 103 - QD1 ILE 18 lone 1 47 - 1 - HG3 GLN 100 - QD1 ILE 18 lone 1 64 - 1 - Peak 11353 from cnoeabs.peaks (2.63, 0.62, 13.41 ppm; 4.94 A): 4 out of 12 assignments used, quality = 0.76: HG3 MET 121 + QD1 ILE 5 OK 46 94 - 49 - 10592=15, 1.8/10594=12...(8) HG3 MET 121 + QD1 ILE 18 OK 42 69 - 61 - 10592=22, 1.8/10594=15...(12) HE2 LYS 53 + QD1 ILE 54 OK 14 74 - 19 - 3.0/9469=6, 3.0/11330=4...(5) HE2 LYS 53 + QD1 ILE 5 OK 11 98 - 11 - 4580/9056=5, 3.0/11330=2...(4) HG3 MET 121 - QD1 ILE 54 poor 9 69 - 13 - 1.8/10594=3, 3.4/10602=2...(6) HB2 ASP 12 - QD1 ILE 5 lone 7 96 - 8 - 3.0/9155=3, ~9156=2, ~9178=2 HB3 ASP 12 - QD1 ILE 5 lone 7 96 - 8 - 3.0/9155=3, ~9156=2, ~9178=2 HB2 ASP 12 - QD1 ILE 54 lone 2 71 - 3 - 3.0/9155=2 HB3 ASP 12 - QD1 ILE 54 lone 2 71 - 3 - 3.0/9155=2 HE2 LYS 53 - QD1 ILE 18 lone 2 74 - 3 - 4580/9229=2 HB2 ASP 12 - QD1 ILE 18 lone 1 71 - 1 - HB3 ASP 12 - QD1 ILE 18 lone 1 71 - 1 - Peak 11354 from cnoeabs.peaks (2.07, 0.62, 13.41 ppm; 3.89 A): 6 out of 42 assignments used, quality = 0.94: HB3 PHE 79 + QD1 ILE 5 OK 80 100 - 80 - 1.8/10740=22...(20) HB3 MET 121 + QD1 ILE 5 OK 29 99 - 29 - 3.0/10592=9, 3.0/10594=7...(6) HB3 MET 121 + QD1 ILE 18 OK 27 75 - 36 - 3.0/10592=12...(9) HB3 PHE 79 + QD1 ILE 54 OK 23 77 - 30 - 1.8/10740=6, 9896/4.2=6...(10) HB2 GLN 28 + QD1 ILE 54 OK 20 66 - 30 - 1.8/11481=13, ~11484=7...(6) HB2 GLN 28 + QD1 ILE 5 OK 11 92 - 12 - 1.8/11481=4, 4.0/11356=3 HB3 PHE 79 - QD1 ILE 18 lone 7 77 - 10 - 2.4/4649=2, 1.8/10740=2 HB3 MET 121 - QD1 ILE 54 lone 6 75 - 8 - 3.0/10594=2, 4.3/10602=1...(6) HB2 GLU 13 - QD1 ILE 54 lone 5 71 - 7 - 10909/3.1=3, ~11216=2 HB2 GLU 103 - QD1 ILE 5 lone 4 77 - 5 - 10206/9055=2 HG2 GLU 119 - QD1 ILE 5 lone 4 99 - 4 - 7916/10553=1 HB2 GLU 103 - QD1 ILE 54 lone 2 53 - 4 - ~10216=2 HG2 GLU 119 - QD1 ILE 18 lone 2 76 - 3 - 7916/10553=1 HB3 GLU 112 - QD1 ILE 5 lone 2 90 - 2 - HB2 GLU 112 - QD1 ILE 5 lone 2 87 - 2 - HB2 GLU 13 - QD1 ILE 5 lone 2 96 - 2 - HB3 GLU 112 - QD1 ILE 18 lone 2 64 - 3 - HB2 LYS 94 - QD1 ILE 54 lone 2 78 - 2 - HB2 GLU 112 - QD1 ILE 18 lone 2 62 - 3 - HB3 GLU 91 - QD1 ILE 5 lone 2 100 - 2 - HB2 LYS 94 - QD1 ILE 5 lone 1 100 - 1 - HB3 GLU 91 - QD1 ILE 54 lone 1 77 - 2 - HB2 GLU 13 - QD1 ILE 18 lone 1 71 - 2 - HB2 GLN 28 - QD1 ILE 18 lone 1 66 - 1 - HG2 GLU 119 - QD1 ILE 54 lone 1 76 - 1 - HB3 GLU 91 - QD1 ILE 18 lone 1 77 - 1 - HB2 GLU 92 - QD1 ILE 5 lone 1 61 - 1 - HB2 LYS 94 - QD1 ILE 18 lone 1 78 - 1 - HB2 GLU 103 - QD1 ILE 18 lone 1 53 - 1 - HB3 GLU 112 - QD1 ILE 54 lone 1 64 - 1 - HB2 GLU 112 - QD1 ILE 54 lone 1 62 - 1 - HB3 GLU 98 - QD1 ILE 5 lone 1 61 - 1 - HB2 GLU 47 - QD1 ILE 5 lone 1 73 - 1 - HB3 GLU 69 - QD1 ILE 5 lone 0 70 - 1 - HB2 GLU 92 - QD1 ILE 18 lone 0 41 - 1 - HB2 GLU 92 - QD1 ILE 54 lone 0 41 - 1 - HB3 GLU 69 - QD1 ILE 18 lone 0 47 - 1 - HB3 GLU 69 - QD1 ILE 54 lone 0 47 - 1 - HB2 GLU 47 - QD1 ILE 54 lone 0 50 - 1 - HB3 GLU 98 - QD1 ILE 54 lone 0 41 - 1 - HB2 GLU 47 - QD1 ILE 18 lone 0 50 - 1 - HB3 GLU 98 - QD1 ILE 18 lone 0 41 - 1 - Peak 11355 from cnoeabs.peaks (9.17, 0.75, 17.84 ppm; 4.56 A): 1 out of 1 assignment used, quality = 0.59: H ILE 56 + QG2 ILE 54 OK 59 77 - 76 - 4.5/7565=28, 3.0/9489=25...(8) Peak 11356 from cnoeabs.peaks (8.33, 0.62, 13.41 ppm; 4.77 A): 4 out of 12 assignments used, quality = 0.84: H GLN 28 + QD1 ILE 54 OK 47 76 - 61 - 9232/4.2=26...(10) H MET 121 + QD1 ILE 5 OK 40 70 - 57 - 4.6/11352=11...(14) H GLN 28 + QD1 ILE 5 OK 34 99 - 34 - 4.5/9054=10, 9232/4.2=6...(9) H MET 121 + QD1 ILE 18 OK 26 47 - 55 - 4.6/10592=12...(13) H GLU 103 - QD1 ILE 5 poor 9 73 - 13 - 4.7/4694=6, 4.6/11649=3 H MET 121 - QD1 ILE 54 poor 7 47 - 15 - 10590=2, 4.6/4709=2...(8) H PHE 51 - QD1 ILE 54 lone 6 72 - 8 - 4.6/11357=3, 4.0/9497=2 H GLU 103 - QD1 ILE 54 poor 5 50 - 11 - 4.7/4694=4, ~10216=3 H GLN 28 - QD1 ILE 18 lone 4 76 - 5 - 4.5/9054=2 H PHE 51 - QD1 ILE 5 lone 3 97 - 3 - 4.6/11357=1 H GLU 103 - QD1 ILE 18 lone 1 50 - 2 - H PHE 51 - QD1 ILE 18 lone 1 72 - 1 - Peak 11357 from cnoeabs.peaks (7.12, 0.62, 13.41 ppm; 4.68 A): 3 out of 9 assignments used, quality = 0.69: QE PHE 120 + QD1 ILE 5 OK 54 77 - 71 - 9048/3.0=19, 2.2/4709=16...(15) QE PHE 120 + QD1 ILE 18 OK 21 53 - 40 - 2.2/4709=11, ~4705=7...(11) QD PHE 51 + QD1 ILE 54 OK 13 78 - 17 - 4603/3.1=9, 10143/2.1=3 QE PHE 93 - QD1 ILE 5 lone 7 81 - 9 - 9048/3.0=2, 4677/9009=2 QE PHE 120 - QD1 ILE 54 poor 6 53 - 11 - 2.2/4709=2, 4.4/11352=2...(4) QD PHE 51 - QD1 ILE 5 lone 5 100 - 5 - 9048/3.0=2 QE PHE 93 - QD1 ILE 54 lone 2 56 - 4 - QD PHE 51 - QD1 ILE 18 lone 2 78 - 2 - QE PHE 93 - QD1 ILE 18 lone 1 56 - 2 - Peak 11358 from cnoeabs.peaks (8.80, 0.68, 26.27 ppm; 4.68 A): 3 out of 10 assignments used, quality = 0.69: H ILE 54 + QD1 LEU 55 OK 42 99 - 42 - 11714=14, 4.4/1360=14...(5) H ILE 54 + QD2 LEU 4 OK 40 54 - 74 - 9485/3.8=30, 11714=26...(11) H ILE 18 + QD1 LEU 55 OK 13 77 - 17 - 1127/2.1=3, 4.6/11709=2...(8) H SER 58 - QD1 LEU 55 lone 8 92 - 9 - 4.4/11139=4, 4.7/341=3 H ASN 59 - QD1 LEU 55 lone 5 98 - 6 - 9613/2.1=2, 9612/11139=1 H LYS 106 - QD1 LEU 55 lone 5 97 - 5 - 4.2/11015=1, 673/3.1=1 H ILE 18 - QD2 LEU 4 poor 4 36 - 11 - 4.6/11709=2, 4.6/10914=2...(6) H LYS 106 - QD2 LEU 4 lone 2 51 - 4 - H SER 58 - QD2 LEU 4 lone 2 46 - 5 - 4.0/11555=1 H ASN 59 - QD2 LEU 4 lone 2 52 - 3 - 4.5/11555=1 Peak 11359 from cnoeabs.peaks (9.28, 5.06, 59.11 ppm; 4.41 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11360 from cnoeabs.peaks (9.15, 0.66, 12.57 ppm; 4.78 A): 1 out of 1 assignment used, quality = 0.55: H ARG 30 + QD1 ILE 56 OK 55 77 - 72 - 10680/4.2=27...(9) Peak 11362 from cnoeabs.peaks (9.15, 0.71, 13.94 ppm; 5.64 A): 1 out of 1 assignment used, quality = 0.47: H ARG 30 + QD1 ILE 57 OK 47 77 - 61 - 11361/4.9=34...(7) Peak 11364 from cnoeabs.peaks (3.96, 1.85, 26.77 ppm; 5.54 A): 5 out of 8 assignments used, quality = 0.92: HA MET 67 + HG LEU 70 OK 78 96 - 82 - 9769/2.1=29, 8141/3.0=22...(9) HB3 SER 35 + HG LEU 70 OK 33 97 - 34 - 9769/2.1=8, 9770/2.1=8...(7) HA ILE 97 + HG LEU 70 OK 30 65 - 47 - 9770/2.1=9, 9769/2.1=9...(11) HA GLU 21 + HG LEU 70 OK 12 97 - 12 - 9769/2.1=3, 9770/2.1=2...(5) HA MET 67 + HG LEU 127 OK 11 75 - 15 - ~9707=5, ~9698=2...(5) HA ILE 97 - HG LEU 127 lone 3 47 - 6 - ~1649=1, ~1650=1 HB3 SER 35 - HG LEU 127 lone 2 77 - 2 - HA GLU 21 - HG LEU 127 lone 1 77 - 2 - Peak 11365 from cnoeabs.peaks (2.19, 0.91, 25.18 ppm; 3.71 A): 3 out of 11 assignments used, quality = 0.85: HB2 MET 42 + QD1 LEU 70 OK 66 100 - 66 - 3.0/11368=27...(11) HB2 MET 67 + QD1 LEU 70 OK 49 94 - 52 - 3.0/9769=16, 11366/2.1=9...(11) HB2 GLU 69 + QD1 LEU 70 OK 15 97 - 15 - 4.6/5055=10, 11366/2.1=3 HG3 GLU 66 - QD1 LEU 70 lone 6 97 - 7 - 5.0/9700=4 HB2 GLN 100 - QD1 LEU 70 lone 3 73 - 4 - 430/4.8=1 HB2 GLU 98 - QD1 LEU 70 lone 1 77 - 2 - HG3 GLN 28 - QD1 LEU 70 lone 1 96 - 1 - HB3 MET 1 - QD1 LEU 70 lone 1 99 - 1 - HG2 GLU 48 - QD1 LEU 70 lone 1 96 - 1 - HB3 GLU 37 - QD1 LEU 70 lone 1 61 - 1 - HB2 GLN 83 - QD1 LEU 70 lone 0 65 - 1 - Peak 11366 from cnoeabs.peaks (2.21, 0.90, 23.17 ppm; 4.13 A): 3 out of 9 assignments used, quality = 0.85: HB2 MET 67 + QD2 LEU 70 OK 59 100 - 59 - 3.0/9770=13, ~9769=11...(11) HB2 MET 42 + QD2 LEU 70 OK 55 77 - 71 - 3.0/11367=21, ~11368=19...(12) HB2 GLU 69 + QD2 LEU 70 OK 20 99 - 20 - 4.6/5062=14, 11365/2.1=3 HB2 GLN 100 - QD2 LEU 70 lone 5 99 - 5 - 430/4.8=1, 11120/9770=1 HG3 GLU 66 - QD2 LEU 70 lone 5 61 - 8 - 5.0/9700=5, 11365/2.1=1 HG3 GLN 28 - QD2 LEU 70 lone 1 99 - 1 - HG2 GLU 48 - QD2 LEU 70 lone 1 99 - 1 - HB3 MET 1 - QD2 LEU 70 lone 1 96 - 1 - HB2 GLN 83 - QD2 LEU 70 lone 1 98 - 1 - Peak 11367 from cnoeabs.peaks (2.67, 0.90, 23.17 ppm; 4.80 A): 1 out of 9 assignments used, quality = 0.47: HG2 MET 42 + QD2 LEU 70 OK 47 61 - 77 - ~11369=31, 1.8/9423=15...(11) HB3 ASP 84 - QD2 LEU 70 lone 2 90 - 2 - HB3 ASP 36 - QD2 LEU 70 lone 1 84 - 1 - HE3 LYS 61 - QD2 LEU 70 lone 1 100 - 1 - HB3 ASP 110 - QD2 LEU 70 lone 1 98 - 1 - HB2 TYR 76 - QD2 LEU 70 lone 1 90 - 1 - HB2 TYR 27 - QD2 LEU 70 lone 1 87 - 1 - HE2 LYS 61 - QD2 LEU 70 lone 1 90 - 1 - HB3 ASN 33 - QD2 LEU 70 lone 1 81 - 1 - Peak 11368 from cnoeabs.peaks (2.65, 0.91, 25.18 ppm; 3.62 A): 1 out of 7 assignments used, quality = 0.63: HG2 MET 42 + QD1 LEU 70 OK 63 100 - 64 - 1.8/11369=30...(10) HB3 ASP 84 - QD1 LEU 70 lone 1 90 - 1 - HB3 ASP 36 - QD1 LEU 70 lone 1 94 - 1 - HB2 ASP 12 - QD1 LEU 70 lone 1 90 - 1 - HB3 ASP 12 - QD1 LEU 70 lone 1 90 - 1 - HB2 TYR 76 - QD1 LEU 70 lone 0 90 - 1 - HB2 TYR 27 - QD1 LEU 70 lone 0 92 - 0 - Peak 11369 from cnoeabs.peaks (2.75, 0.91, 25.18 ppm; 3.81 A): 1 out of 5 assignments used, quality = 0.67: HG3 MET 42 + QD1 LEU 70 OK 67 90 - 74 - 1.8/11368=37, ~11367=15...(11) HB3 TYR 102 - QD1 LEU 70 lone 7 100 - 7 - 2.5/4691=2, ~4691=2 HE2 LYS 2 - QD1 LEU 70 lone 1 96 - 1 - HB3 ASN 11 - QD1 LEU 70 lone 1 98 - 1 - HB2 ASP 60 - QD1 LEU 70 lone 1 77 - 1 - Peak 11370 from cnoeabs.peaks (3.79, 1.69, 28.69 ppm; 4.64 A): 4 out of 40 assignments used, quality = 0.87: HA LEU 68 + HG12 ILE 71 OK 67 98 - 68 - 9758/1.8=27, 9760/2.1=23...(7) HB2 SER 58 + HG12 ILE 71 OK 40 99 - 40 - 9784/2.1=11, 9785/1.8=11...(5) HA LYS 65 + HG12 ILE 71 OK 26 94 - 28 - 9784/2.1=5, 8147/3.0=5...(8) HA LEU 68 + HD2 LYS 73 OK 10 78 - 13 - 8144/6.4=4, 8146/3.8=2...(5) HA LEU 68 - HD3 LYS 73 poor 10 74 - 13 - 8144/6.4=4, 8146/3.8=2...(5) HA LYS 115 - HG12 ILE 71 lone 6 77 - 7 - 10455/11075=4 HA LEU 68 - HD2 LYS 20 lone 4 88 - 4 - 4.0/11075=1 HA LEU 68 - HD3 LYS 20 lone 4 85 - 4 - 4.0/11075=1 HA LYS 115 - HD2 LYS 20 lone 3 65 - 5 - HA LYS 115 - HD3 LYS 20 lone 3 63 - 5 - HA LEU 68 - HD3 LYS 43 lone 3 74 - 4 - HA LYS 115 - HD2 LYS 73 lone 2 57 - 4 - HA LYS 65 - HD2 LYS 20 lone 2 82 - 3 - HA LYS 115 - HD3 LYS 73 lone 2 53 - 4 - HA LYS 65 - HD3 LYS 20 lone 2 80 - 3 - HA LYS 65 - HD2 LYS 73 lone 2 73 - 3 - HA LYS 65 - HD3 LYS 73 lone 2 69 - 3 - HA LYS 65 - HD3 LYS 43 lone 2 69 - 2 - HA LYS 115 - HD3 LYS 96 lone 2 38 - 4 - HA LEU 68 - HD3 LYS 96 lone 1 54 - 3 - HA LYS 115 - HD3 LYS 43 lone 1 53 - 3 - HB2 SER 58 - HD2 LYS 73 lone 1 80 - 2 - HA LYS 115 - HD2 LYS 96 lone 1 32 - 4 - HA LYS 65 - HD3 LYS 96 lone 1 50 - 2 - HB2 SER 58 - HD3 LYS 73 lone 1 75 - 2 - HA LEU 68 - HD2 LYS 96 lone 1 46 - 2 - HA ALA 113 - HG12 ILE 71 lone 1 77 - 1 - HB2 SER 58 - HD2 LYS 20 lone 1 89 - 1 - HA LYS 65 - HD2 LYS 96 lone 1 43 - 2 - HB2 SER 58 - HD3 LYS 20 lone 1 86 - 1 - HB2 SER 58 - HD3 LYS 43 lone 1 75 - 1 - HA ALA 113 - HD2 LYS 20 lone 1 65 - 1 - HA ALA 113 - HD3 LYS 20 lone 1 63 - 1 - HB2 SER 58 - HD3 LYS 96 lone 1 56 - 1 - HA ALA 113 - HD2 LYS 73 lone 1 57 - 1 - HA ALA 113 - HD3 LYS 73 lone 0 53 - 1 - HB2 SER 58 - HD2 LYS 96 lone 0 47 - 1 - HA ALA 113 - HD3 LYS 43 lone 0 53 - 1 - HA ALA 113 - HD3 LYS 96 lone 0 38 - 1 - HA ALA 113 - HD2 LYS 96 lone 0 32 - 1 - Peak 11371 from cnoeabs.peaks (4.36, 0.82, 18.37 ppm; 5.09 A): 1 out of 4 assignments used, quality = 0.72: HA SER 72 + QG2 ILE 71 OK 72 98 - 73 - 9807=27, 2.9/444=21...(9) HA PHE 93 - QG2 ILE 71 lone 3 61 - 4 - 3.6/5083=2 HA GLU 48 - QG2 ILE 71 lone 3 81 - 3 - 3.6/5083=2 HA SER 99 - QG2 ILE 71 lone 1 73 - 2 - Peak 11375 from cnoeabs.peaks (4.25, 0.82, 25.82 ppm; 4.20 A): 1 out of 1 assignment used, quality = 0.57: HA LEU 74 + QD1 LEU 74 OK 57 57 - 100 - 4.0=100 Peak 11376 from cnoeabs.peaks (7.10, 1.55, 24.91 ppm; 5.19 A): 0 out of 4 assignments used, low quality = 0.31: QE PHE 79 - HG2 LYS 65 OK 31 97 - 32 - 11054/3.9=12...(5) QE PHE 79 - HG2 LYS 115 poor 7 68 - 11 - 11055/3.0=2, 11055/3.0=2...(4) QD PHE 51 - HG2 LYS 65 lone 1 57 - 1 - QD PHE 51 - HG2 LYS 115 lone 0 35 - 1 - Peak 11377 from cnoeabs.peaks (4.83, 0.72, 22.14 ppm; 5.27 A): 2 out of 3 assignments used, quality = 0.78: HA ILE 3 + QG2 VAL 78 OK 57 94 - 61 - 3.6/9884=23, ~10661=16...(7) HA ILE 5 + QG2 VAL 78 OK 49 100 - 49 - 9894/4.1=19...(10) HA ILE 54 - QG2 VAL 78 lone 9 90 - 10 - 9894/4.1=4, 10666/3.2=2 Peak 11378 from cnoeabs.peaks (1.45, 0.72, 22.14 ppm; 3.39 A): 6 out of 19 assignments used, quality = 0.94: HB3 LEU 4 + QG2 VAL 78 OK 52 96 - 55 - 11528=13, 11529/2.1=10...(13) HB2 LEU 4 + QG2 VAL 78 OK 52 96 - 55 - 11528=13, 11529/2.1=10...(13) HG LEU 4 + QG2 VAL 78 OK 38 98 - 39 - 2.9/11528=7, 2.9/11528=7...(11) HG12 ILE 7 + QG2 VAL 78 OK 35 81 - 44 - 11580/2.1=10, ~11581=10...(11) HG LEU 80 + QG2 VAL 78 OK 25 99 - 25 - ~9920=9, ~9864=7...(6) HB3 LEU 6 + QG2 VAL 78 OK 19 84 - 22 - ~11566=5, ~11567=5...(8) HG2 LYS 96 - QG2 VAL 78 lone 7 99 - 7 - 5.0/5409=2, 2.9/11291=2 HB3 LEU 38 - QG2 VAL 78 lone 6 73 - 8 - 3.1/10988=2, 3.1/10987=1 HG2 LYS 39 - QG2 VAL 78 lone 4 87 - 5 - 4.9/5409=1 HG3 LYS 44 - QG2 VAL 78 lone 2 97 - 3 - HG3 ARG 30 - QG2 VAL 78 lone 2 97 - 2 - HG12 ILE 56 - QG2 VAL 78 lone 2 65 - 3 - HB3 LEU 63 - QG2 VAL 78 lone 1 61 - 2 - HG12 ILE 57 - QG2 VAL 78 lone 1 77 - 1 - HG3 LYS 49 - QG2 VAL 78 lone 1 84 - 1 - HG2 LYS 49 - QG2 VAL 78 lone 1 84 - 1 - HB3 LYS 61 - QG2 VAL 78 lone 1 84 - 1 - HG2 LYS 106 - QG2 VAL 78 lone 1 77 - 1 - HG3 LYS 17 - QG2 VAL 78 lone 1 73 - 1 - Peak 11379 from cnoeabs.peaks (6.97, 7.10, 130.23 ppm; 3.65 A): 1 out of 1 assignment used, quality = 0.69: HZ PHE 79 + QE PHE 79 OK 69 69 - 100 - 2.2=100 Peak 11380 from cnoeabs.peaks (0.64, 4.57, 55.95 ppm; 4.92 A): 3 out of 6 assignments used, quality = 0.75: QD1 ILE 5 + HA PHE 79 OK 62 87 - 72 - 10740/3.0=21...(14) QD1 ILE 54 + HA PHE 79 OK 24 100 - 24 - 10740/3.0=5, 4649/3.7=5...(7) HG13 ILE 15 + HA PHE 79 OK 13 100 - 13 - 4649/3.7=2, 9916/3.6=2...(5) QD1 LEU 4 - HA PHE 79 lone 10 98 - 10 - ~9900=3, 9916/3.6=3, 9038/3.7=2 QG1 VAL 22 - HA PHE 79 lone 6 100 - 6 - 4649/3.7=2, 9916/3.6=1 QD1 ILE 71 - HA PHE 79 lone 5 65 - 7 - 9916/3.6=3, 9801/3.7=2 Peak 11381 from cnoeabs.peaks (1.93, 7.10, 130.23 ppm; 5.11 A): 4 out of 20 assignments used, quality = 0.99: HB2 LEU 127 + QE PHE 79 OK 83 98 - 85 - 3.1/10830=34...(11) HB2 LYS 123 + QE PHE 79 OK 70 98 - 71 - 3.8/11210=30...(8) HB2 LYS 65 + QE PHE 79 OK 58 98 - 59 - 2.9/11376=26...(9) HB3 LYS 65 + QE PHE 79 OK 58 98 - 59 - 2.9/11376=26...(9) HB3 LYS 115 - QE PHE 79 OK 21 98 - 21 - 3.0/11376=6, 11055=3...(8) HB2 LYS 115 - QE PHE 79 OK 20 95 - 21 - 3.0/11376=6, 1.8/11055=3...(8) HB VAL 104 - QE PHE 79 OK 17 83 - 21 - ~10244=6, ~10245=5...(6) HB2 LYS 39 - QE PHE 79 OK 17 98 - 17 - ~4663=3, ~4644=3...(7) HB ILE 15 - QE PHE 79 OK 11 58 - 19 - 2.9/4653=3, 2.9/4661=3...(7) HB3 LYS 39 - QE PHE 79 poor 9 76 - 12 - 1.8/11055=2, 2.9/9914=1...(6) HB2 LEU 70 - QE PHE 79 lone 6 92 - 7 - 10115/10153=1, 3.0/4638=1 HB VAL 29 - QE PHE 79 lone 6 58 - 9 - ~10244=2, 2.1/9911=2...(5) HB3 LYS 40 - QE PHE 79 lone 5 85 - 6 - 2.7/4656=2, 2.7/4654=1 HB3 LYS 17 - QE PHE 79 lone 5 83 - 6 - 3.7/9912=2 HB2 LEU 81 - QE PHE 79 lone 4 73 - 6 - ~11631=1, 1.8/4656=1 HG2 MET 121 - QE PHE 79 lone 4 65 - 6 - ~4641=2 HB3 GLU 41 - QE PHE 79 lone 4 73 - 5 - ~4644=1, ~4663=1 HB2 GLU 41 - QE PHE 79 lone 4 69 - 5 - ~4644=1, ~4663=1 HB3 MET 42 - QE PHE 79 lone 3 69 - 4 - 4644/2.2=1 HB3 GLU 52 - QE PHE 79 lone 2 62 - 3 - Peak 11382 from cnoeabs.peaks (1.07, 7.10, 130.23 ppm; 4.51 A): 1 out of 3 assignments used, quality = 0.82: QG2 ILE 3 + QE PHE 79 OK 82 90 - 91 - 4662/2.2=37, 3.0/4659=32...(13) HG2 LYS 2 - QE PHE 79 lone 8 98 - 8 - 2.9/9910=2, 4662/2.2=2...(4) HG2 LYS 53 - QE PHE 79 lone 4 58 - 7 - 4662/2.2=2, 1.8/9910=2...(4) Peak 11383 from cnoeabs.peaks (0.89, 1.75, 45.67 ppm; 3.81 A): 3 out of 8 assignments used, quality = 0.94: QG2 VAL 104 + HB2 LEU 80 OK 92 100 - 92 - 11092/3.1=25...(20) QD2 LEU 90 + HB2 LEU 80 OK 17 99 - 17 - 11088/1.8=4, 11092/3.1=4...(5) QD2 LEU 38 + HB2 LEU 80 OK 15 100 - 15 - 11088/1.8=4, 11092/3.1=4...(5) QG2 VAL 29 - HB2 LEU 80 lone 9 94 - 9 - 11088/1.8=2, 11091/3.1=2...(5) QD1 LEU 90 - HB2 LEU 80 poor 8 73 - 12 - ~11088=3, 11091/3.1=2...(5) QG2 VAL 107 - HB2 LEU 80 lone 4 61 - 6 - 11092/3.1=1, 11088/1.8=1 QD2 LEU 70 - HB2 LEU 80 lone 1 73 - 2 - QD1 LEU 70 - HB2 LEU 80 lone 1 61 - 2 - Peak 11385 from cnoeabs.peaks (7.13, 1.35, 27.36 ppm; 4.85 A): 2 out of 3 assignments used, quality = 0.96: QE PHE 120 + HG LEU 81 OK 90 97 - 93 - 11603/2.1=26...(15) QE PHE 93 + HG LEU 81 OK 63 98 - 64 - 11603/2.1=16...(12) QD PHE 51 - HG LEU 81 OK 11 98 - 11 - 9945/3.0=2, 9944/3.0=2...(6) Peak 11386 from cnoeabs.peaks (5.18, 1.35, 27.36 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.98: HA ILE 7 + HG LEU 81 OK 95 100 - 96 - 11616/3.0=34...(12) HA VAL 78 + HG LEU 81 OK 53 87 - 61 - 9955/2.1=16, 9954/2.1=15...(9) Peak 11388 from cnoeabs.peaks (1.46, 0.79, 24.93 ppm; 3.01 A): 3 out of 14 assignments used, quality = 0.69: HG12 ILE 7 + QD1 LEU 81 OK 43 100 - 43 - 11389/2.1=10, ~11624=6...(12) HG12 ILE 57 + QD1 LEU 81 OK 32 100 - 32 - 2.9/11633=8, 11389/2.1=7...(11) HG2 LYS 106 + QD1 LEU 81 OK 21 100 - 21 - 3.9/11401=12...(5) HB3 LEU 6 - QD1 LEU 81 lone 9 100 - 9 - 11389/2.1=3, 11387/4.8=2 HB3 LEU 38 - QD1 LEU 81 lone 8 100 - 8 - 1.8/11607=2, 11389/2.1=2 HG2 LYS 39 - QD1 LEU 81 lone 5 100 - 5 - 11039=1 HG LEU 80 - QD1 LEU 81 lone 3 61 - 5 - 11387/4.8=2 HG3 LYS 49 - QD1 LEU 81 lone 2 100 - 2 - HG2 LYS 49 - QD1 LEU 81 lone 2 100 - 2 - HG LEU 4 - QD1 LEU 81 lone 2 94 - 2 - HG3 ARG 30 - QD1 LEU 81 lone 1 96 - 1 - HB2 LEU 74 - QD1 LEU 81 lone 1 98 - 1 - HG3 LYS 20 - QD1 LEU 81 lone 0 73 - 0 - HG3 LYS 73 - QD1 LEU 81 lone 0 65 - 0 - Peak 11389 from cnoeabs.peaks (1.46, 0.71, 25.86 ppm; 3.27 A): 3 out of 15 assignments used, quality = 0.72: HG12 ILE 7 + QD2 LEU 81 OK 49 99 - 50 - 11388/2.1=12, ~11624=7...(13) HG12 ILE 57 + QD2 LEU 81 OK 36 99 - 37 - 11388/2.1=9, 2.9/11634=7...(12) HB3 LEU 6 + QD2 LEU 81 OK 14 98 - 14 - 4.6/28=3, 11387/4.8=3...(6) HB3 LEU 38 - QD2 LEU 81 lone 9 100 - 9 - 11388/2.1=2, 3.1/10987=1...(4) HG2 LYS 106 - QD2 LEU 81 lone 9 99 - 9 - 11388/2.1=6, ~10285=1 HG2 LYS 39 - QD2 LEU 81 lone 5 97 - 5 - 11039/2.1=2 HG3 LYS 49 - QD2 LEU 81 lone 3 98 - 2 - HG2 LYS 49 - QD2 LEU 81 lone 3 98 - 2 - HG LEU 4 - QD2 LEU 81 lone 2 84 - 2 - HG3 ARG 30 - QD2 LEU 81 lone 1 87 - 1 - HG3 ARG 118 - QD2 LEU 81 lone 1 61 - 2 - HG3 LYS 20 - QD2 LEU 81 lone 1 87 - 1 - HD2 LYS 53 - QD2 LEU 81 lone 1 73 - 1 - HB2 LEU 74 - QD2 LEU 81 lone 1 100 - 1 - HG3 LYS 73 - QD2 LEU 81 lone 0 81 - 0 - Peak 11390 from cnoeabs.peaks (0.03, 1.35, 27.36 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.90: QG2 ILE 116 + HG LEU 81 OK 90 92 - 98 - 9958/2.1=50, 9959/2.1=45...(18) Peak 11392 from cnoeabs.peaks (2.06, 0.78, 26.01 ppm; 5.07 A): 3 out of 14 assignments used, quality = 0.77: HB2 LYS 94 + QD1 LEU 82 OK 66 92 - 72 - 3.0/11491=39...(5) HB VAL 117 + QD1 LEU 82 OK 25 84 - 29 - ~11492=19, ~10521=4...(6) HB3 PHE 79 + QD1 LEU 82 OK 10 77 - 14 - ~9907=3, ~9902=3...(5) HB3 MET 67 - QD1 LEU 82 lone 5 90 - 6 - 9708=2, ~11271=1 HB2 GLN 28 - QD1 LEU 82 lone 3 100 - 3 - HB2 GLU 92 - QD1 LEU 82 lone 2 97 - 2 - HB3 GLU 91 - QD1 LEU 82 lone 2 94 - 2 - HB3 GLU 98 - QD1 LEU 82 lone 2 97 - 2 - 11454/10231=1 HG2 GLU 119 - QD1 LEU 82 lone 2 73 - 3 - HB2 GLU 13 - QD1 LEU 82 lone 2 99 - 2 - HB3 GLN 100 - QD1 LEU 82 lone 2 87 - 2 - HB2 GLU 47 - QD1 LEU 82 lone 1 99 - 1 - HG3 GLU 52 - QD1 LEU 82 lone 1 73 - 1 - HB3 MET 121 - QD1 LEU 82 lone 1 70 - 1 - Peak 11393 from cnoeabs.peaks (2.27, 0.78, 24.57 ppm; 4.25 A): 1 out of 9 assignments used, quality = 0.60: HB3 ASN 8 + QD2 LEU 64 OK 60 99 - 61 - 9104/2.1=23, 1.8/9101=17...(8) HG2 GLU 69 - QD2 LEU 64 lone 7 99 - 7 - 5.1/4786=4 HG3 GLU 111 - QD2 LEU 64 lone 7 100 - 7 - ~11124=2, 10449/2.1=2 HG2 GLU 111 - QD2 LEU 64 lone 4 65 - 6 - ~11124=2, ~10449=1, 3.9/11422=1 HB2 GLU 37 - QD2 LEU 64 lone 3 100 - 3 - 9357/4.7=1 HG2 GLU 89 - QD2 LEU 64 lone 3 98 - 3 - 7755/4.7=1 HG3 GLU 92 - QD2 LEU 64 lone 2 99 - 2 - HG2 GLU 103 - QD2 LEU 64 lone 2 84 - 2 - HG3 GLU 91 - QD2 LEU 64 lone 1 65 - 1 - Peak 11394 from cnoeabs.peaks (1.33, 0.78, 26.01 ppm; 4.33 A): 2 out of 4 assignments used, quality = 0.53: HG3 LYS 94 + QD1 LEU 82 OK 40 84 - 47 - 4.0/11491=24...(5) HG LEU 81 + QD1 LEU 82 OK 23 87 - 26 - 7719/4.6=15, 4.3/5514=4...(5) HG3 LYS 65 - QD1 LEU 82 lone 9 92 - 9 - 10805=4, 514/4.6=1 HB3 LEU 55 - QD1 LEU 82 lone 1 81 - 2 - Peak 11395 from cnoeabs.peaks (1.44, 0.82, 23.86 ppm; 3.94 A): 0 out of 19 assignments used, low quality = 0.37: HG LEU 80 - QD2 LEU 82 OK 23 100 - 23 - 4.3/9977=11, 5.3/9986=4...(4) HG3 LYS 17 - QD2 LEU 82 OK 19 84 - 23 - ~11475=5, 9964/3.1=5...(7) HG2 LYS 106 - QD2 LEU 82 poor 7 65 - 11 - ~9966=5, ~10289=2...(4) HB3 LEU 6 - QD2 LEU 82 lone 5 73 - 7 - 10671/9977=2 HB3 LYS 61 - QD2 LEU 82 lone 4 92 - 4 - 9964/3.1=1 HB3 LEU 63 - QD2 LEU 82 lone 3 73 - 4 - 9964/3.1=1 HB2 LEU 4 - QD2 LEU 82 lone 2 99 - 2 - HB3 LEU 4 - QD2 LEU 82 lone 2 99 - 2 - HG2 LYS 39 - QD2 LEU 82 lone 2 77 - 3 - 11039/2.1=1 HG12 ILE 57 - QD2 LEU 82 lone 2 65 - 3 - 4.2/5580=1 HG12 ILE 7 - QD2 LEU 82 lone 2 70 - 3 - 33/9098=1 HG LEU 4 - QD2 LEU 82 lone 1 94 - 2 - HB3 LEU 38 - QD2 LEU 82 lone 2 61 - 2 - HG2 LYS 96 - QD2 LEU 82 lone 1 100 - 1 - HG12 ILE 56 - QD2 LEU 82 lone 1 77 - 2 - HG3 LYS 44 - QD2 LEU 82 lone 1 99 - 1 - HG2 LYS 49 - QD2 LEU 82 lone 1 73 - 1 - HG3 LYS 49 - QD2 LEU 82 lone 1 73 - 1 - HG3 ARG 30 - QD2 LEU 82 lone 1 92 - 1 - Peak 11396 from cnoeabs.peaks (0.36, 0.82, 23.86 ppm; 4.28 A): 2 out of 2 assignments used, quality = 0.59: QD1 ILE 97 + QD2 LEU 82 OK 53 100 - 53 - 11397/2.1=29...(7) QD2 LEU 68 + QD2 LEU 82 OK 12 61 - 20 - 11397/2.1=8, 4741/9982=3...(7) Peak 11397 from cnoeabs.peaks (0.37, 0.78, 26.01 ppm; 4.14 A): 2 out of 2 assignments used, quality = 0.65: QD1 ILE 97 + QD1 LEU 82 OK 58 98 - 59 - 11396/2.1=28, 10132=10...(10) QD2 LEU 68 + QD1 LEU 82 OK 17 77 - 22 - 11396/2.1=6, 2.1/9765=3...(9) Peak 11398 from cnoeabs.peaks (7.21, 0.78, 26.01 ppm; 4.27 A): 1 out of 3 assignments used, quality = 0.78: QD PHE 93 + QD1 LEU 82 OK 78 98 - 79 - 9983/2.1=34...(13) HE21 GLN 83 - QD1 LEU 82 lone 5 81 - 7 - 6.9/523=4 HE22 GLN 83 - QD1 LEU 82 lone 5 77 - 7 - 6.9/523=4 Peak 11399 from cnoeabs.peaks (6.81, 0.79, 24.93 ppm; 5.40 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11400 from cnoeabs.peaks (4.91, 0.79, 24.93 ppm; 5.70 A): 3 out of 3 assignments used, quality = 0.97: HA LEU 82 + QD1 LEU 81 OK 84 100 - 84 - 2.9/7720=46, ~7719=28...(10) HA ARG 105 + QD1 LEU 81 OK 59 100 - 59 - 3.0/11018=21...(6) HA ILE 57 + QD1 LEU 81 OK 57 100 - 58 - 3.0/11633=18, ~11634=12...(9) Peak 11401 from cnoeabs.peaks (5.58, 0.79, 24.93 ppm; 4.14 A): 1 out of 1 assignment used, quality = 0.53: HA LYS 106 + QD1 LEU 81 OK 53 100 - 53 - 3.6/11600=24...(7) Peak 11402 from cnoeabs.peaks (8.56, 0.79, 24.93 ppm; 4.43 A): 2 out of 2 assignments used, quality = 0.67: H VAL 107 + QD1 LEU 81 OK 59 99 - 59 - 3.6/11401=30...(9) H ILE 57 + QD1 LEU 81 OK 21 61 - 34 - 4.0/11633=12...(7) Peak 11404 from cnoeabs.peaks (0.89, 2.17, 29.33 ppm; 3.99 A): 5 out of 16 assignments used, quality = 0.86: QG2 VAL 104 + HB2 GLU 98 OK 62 90 - 69 - 10161/2.9=21...(11) QG2 VAL 104 + HB2 GLN 85 OK 34 100 - 34 - 2.1/11455=8, 11510/4.6=7...(9) QD2 LEU 38 + HB2 GLN 85 OK 26 100 - 26 - 9385=5, 10029/4.0=4...(11) QD2 LEU 90 + HB2 GLN 85 OK 14 99 - 14 - 10029/4.0=7, 10046/4.6=2...(5) QD2 LEU 38 + HB2 GLU 98 OK 12 90 - 13 - 10161/2.9=2, 9385=2...(5) QG2 VAL 107 - HB2 GLN 85 lone 5 61 - 8 - 10029/4.0=2, 4.2/5653=2 QD2 LEU 90 - HB2 GLU 98 lone 4 88 - 5 - 10161/2.9=2 QD1 LEU 90 - HB2 GLN 85 lone 4 73 - 5 - 10046/4.6=2, ~11060=1, ~10055=1 QG2 VAL 107 - HB2 GLU 98 lone 3 50 - 5 - 10296/4.3=2, 10161/2.9=1 QD1 LEU 90 - HB2 GLU 98 lone 2 61 - 4 - 10161/2.9=1, ~10161=1 QG2 VAL 29 - HB2 GLN 85 lone 2 94 - 2 - QG2 VAL 29 - HB2 GLU 98 lone 1 81 - 2 - QD2 LEU 70 - HB2 GLU 98 lone 1 61 - 2 - QD2 LEU 70 - HB2 GLN 85 lone 1 73 - 1 - QD1 LEU 70 - HB2 GLN 85 lone 1 61 - 1 - QD1 LEU 70 - HB2 GLU 98 lone 1 50 - 2 - Peak 11406 from cnoeabs.peaks (0.88, 2.40, 33.72 ppm; 5.34 A): 8 out of 40 assignments used, quality = 0.90: QD2 LEU 38 + HG3 GLN 85 OK 33 92 - 36 - 11404/3.0=6, 10029/5.0=6...(10) QG2 VAL 104 + HG3 GLN 85 OK 33 99 - 34 - 11404/3.0=8, ~11455=8...(6) QG2 VAL 104 + HG2 GLN 85 OK 33 98 - 34 - 11404/3.0=8, ~11455=8...(6) QD2 LEU 38 + HG2 GLN 85 OK 33 91 - 36 - 11404/3.0=6, 10029/5.0=6...(10) QD2 LEU 90 + HG3 GLN 85 OK 19 100 - 19 - 10029/5.0=10...(3) QD2 LEU 90 + HG2 GLN 85 OK 19 99 - 19 - 10029/5.0=10...(3) QD2 LEU 38 + HG3 GLN 62 OK 13 82 - 15 - 11527/11046=2...(9) QD2 LEU 38 + HG2 GLN 62 OK 12 78 - 15 - 2.1/10932=2...(9) QG2 VAL 107 - HG3 GLN 85 poor 10 90 - 11 - 10029/5.0=3, 2.1/11407=1...(5) QG2 VAL 107 - HG2 GLN 85 poor 10 89 - 11 - 10029/5.0=3, 2.1/11407=1...(5) QG1 VAL 32 - HG2 GLN 122 poor 8 67 - 12 - 9299/3.0=4, 9299/3.0=4...(4) QG1 VAL 32 - HG3 GLN 85 lone 8 87 - 9 - 2.1/11407=1 QG1 VAL 32 - HG2 GLN 85 lone 8 86 - 9 - 2.1/11407=1 QD2 LEU 90 - HG2 GLN 122 lone 7 83 - 8 - 5810/5.1=3, 4.6/1601=3 QD2 LEU 38 - HG2 GLN 122 lone 5 72 - 6 - 11527/3.9=2 QG1 VAL 32 - HG3 GLN 62 lone 3 76 - 5 - QG2 VAL 104 - HG3 GLN 62 lone 3 91 - 4 - QG1 VAL 32 - HG2 GLN 62 lone 3 73 - 5 - QG2 VAL 104 - HG2 GLN 62 lone 3 87 - 4 - QD2 LEU 90 - HG3 GLN 62 lone 3 92 - 3 - QD2 LEU 90 - HG2 GLN 62 lone 3 89 - 3 - QG2 VAL 107 - HG3 GLN 62 lone 2 79 - 3 - QG2 VAL 117 - HG3 GLN 85 lone 2 81 - 3 - QG2 VAL 117 - HG2 GLN 85 lone 2 80 - 3 - QG2 VAL 107 - HG2 GLN 62 lone 2 76 - 3 - QG2 VAL 29 - HG3 GLN 85 lone 2 70 - 3 - QG2 VAL 29 - HG2 GLN 85 lone 2 69 - 3 - QG2 VAL 107 - HG2 GLN 122 lone 2 69 - 3 - QG2 THR 9 - HG3 GLN 85 lone 2 73 - 3 - QG2 THR 9 - HG2 GLN 85 lone 2 73 - 3 - QG2 VAL 117 - HG3 GLN 62 lone 2 70 - 2 - QG2 THR 9 - HG3 GLN 62 lone 2 63 - 3 - QG2 VAL 104 - HG2 GLN 122 lone 2 81 - 2 - QG2 VAL 117 - HG2 GLN 62 lone 2 67 - 2 - QG2 THR 9 - HG2 GLN 62 lone 2 60 - 2 - QG2 VAL 117 - HG2 GLN 122 lone 1 61 - 1 - QG2 THR 9 - HG2 GLN 122 lone 1 55 - 2 - QG2 VAL 29 - HG3 GLN 62 lone 1 60 - 1 - QG2 VAL 29 - HG2 GLN 62 lone 1 57 - 1 - QG2 VAL 29 - HG2 GLN 122 lone 1 51 - 1 - Peak 11407 from cnoeabs.peaks (0.75, 2.40, 33.72 ppm; 5.34 A): 4 out of 55 assignments used, quality = 0.57: QD1 LEU 63 + HG3 GLN 62 OK 21 79 - 26 - 9665/5.2=9, 4.7/7609=8...(6) QD1 LEU 63 + HG2 GLN 62 OK 20 76 - 26 - 9665/5.2=9, 4.7/7609=8...(6) QD1 LEU 63 + HG3 GLN 85 OK 18 90 - 20 - 4.0/11046=4, 4.7/381=4...(9) QD1 LEU 63 + HG2 GLN 85 OK 18 89 - 20 - 4.0/11046=4, 4.7/381=4...(9) QG1 VAL 107 - HG3 GLN 85 lone 8 90 - 9 - 7859/5.0=3, 2.1/11406=1 QG1 VAL 107 - HG2 GLN 85 lone 8 89 - 9 - 7859/5.0=3, 2.1/11406=1 QG2 VAL 32 - HG2 GLN 122 lone 7 69 - 9 - ~9299=4, 9304/3.0=2...(4) QG2 VAL 32 - HG3 GLN 85 lone 7 90 - 7 - 2.1/11406=1 QG2 VAL 32 - HG2 GLN 85 lone 6 89 - 7 - 2.1/11406=1 QG2 ILE 54 - HG3 GLN 62 lone 6 89 - 7 - 9665/5.2=5 QG2 ILE 54 - HG2 GLN 62 lone 6 86 - 7 - 9665/5.2=5 QG2 ILE 7 - HG3 GLN 85 lone 6 96 - 6 - 9082/3.9=2, ~9076=1 QG2 ILE 7 - HG2 GLN 85 lone 6 95 - 6 - 9082/3.9=2, ~9076=1 QD2 LEU 6 - HG3 GLN 85 lone 5 70 - 8 - 2.1/11563=2, ~11564=2, ~11563=2 QD2 LEU 6 - HG2 GLN 85 lone 5 69 - 8 - ~11563=2, 2.1/11563=2, ~11564=2 QD1 ILE 7 - HG3 GLN 85 lone 4 77 - 5 - 9076/3.0=1, 7332/5.0=1, ~11409=1 QD1 ILE 7 - HG2 GLN 85 lone 4 76 - 5 - 9076/3.0=1, 7332/5.0=1, ~11409=1 QD2 LEU 14 - HG3 GLN 62 lone 4 79 - 5 - QD2 LEU 14 - HG2 GLN 85 lone 4 89 - 4 - QD2 LEU 14 - HG3 GLN 85 lone 4 90 - 4 - QD2 LEU 14 - HG2 GLN 62 lone 4 76 - 5 - QG2 VAL 32 - HG3 GLN 62 lone 3 79 - 4 - QG2 VAL 32 - HG2 GLN 62 lone 3 76 - 4 - QD1 LEU 45 - HG3 GLN 85 lone 3 100 - 3 - QD1 LEU 45 - HG3 GLN 62 lone 3 93 - 3 - QD1 LEU 45 - HG2 GLN 85 lone 3 100 - 3 - QD2 LEU 6 - HG3 GLN 62 lone 3 60 - 5 - 9665/5.2=1 QD1 LEU 45 - HG2 GLN 62 lone 3 90 - 3 - QD2 LEU 6 - HG2 GLN 62 lone 3 57 - 5 - 9665/5.2=1 QD1 LEU 63 - HG2 GLN 122 lone 3 69 - 4 - QG2 ILE 54 - HG3 GLN 85 lone 2 98 - 3 - QG2 ILE 54 - HG2 GLN 85 lone 2 98 - 3 - QG2 ILE 7 - HG3 GLN 62 lone 2 86 - 2 - QG1 VAL 107 - HG3 GLN 62 lone 2 79 - 2 - QG2 ILE 7 - HG2 GLN 62 lone 2 83 - 2 - QG1 VAL 107 - HG2 GLN 62 lone 2 76 - 2 - QD1 ILE 15 - HG3 GLN 85 lone 2 87 - 2 - QD1 LEU 45 - HG2 GLN 122 lone 2 83 - 2 - QD1 ILE 15 - HG2 GLN 85 lone 2 86 - 2 - QG2 ILE 54 - HG2 GLN 122 lone 1 80 - 2 - QD2 LEU 14 - HG2 GLN 122 lone 1 69 - 2 - QG1 VAL 107 - HG2 GLN 122 lone 1 69 - 2 - QD2 LEU 6 - HG2 GLN 122 lone 1 51 - 2 - QD1 ILE 15 - HG3 GLN 62 lone 1 76 - 2 - QD2 LEU 55 - HG3 GLN 62 lone 1 63 - 2 - QD1 ILE 15 - HG2 GLN 62 lone 1 73 - 2 - QG2 ILE 7 - HG2 GLN 122 lone 1 76 - 1 - QD2 LEU 55 - HG2 GLN 62 lone 1 60 - 2 - QD2 LEU 55 - HG3 GLN 85 lone 1 73 - 1 - QD2 LEU 55 - HG2 GLN 85 lone 1 73 - 1 - QD1 ILE 7 - HG3 GLN 62 lone 1 67 - 1 - QD1 ILE 7 - HG2 GLN 62 lone 1 64 - 1 - QD1 ILE 15 - HG2 GLN 122 lone 1 67 - 1 - QD1 ILE 7 - HG2 GLN 122 lone 1 58 - 1 - QD2 LEU 55 - HG2 GLN 122 lone 1 55 - 1 - Peak 11409 from cnoeabs.peaks (1.26, 2.04, 29.57 ppm; 4.71 A): 3 out of 18 assignments used, quality = 0.71: QG2 THR 108 + HB3 GLU 87 OK 43 94 - 46 - 11410/3.0=19...(4) QG2 THR 108 + HB3 GLN 85 OK 42 64 - 66 - 10030/3.0=33...(6) HG13 ILE 7 + HB3 GLU 87 OK 11 99 - 11 - 11410/3.0=4, 10974/3.0=2...(4) HG12 ILE 54 - HB3 GLU 87 lone 6 96 - 6 - 11410/3.0=2 HG13 ILE 7 - HB3 GLN 85 lone 5 71 - 7 - 10030/3.0=3, 2.1/9076=1, ~9082=1 QG2 THR 108 - HB3 GLU 98 poor 5 50 - 10 - 11122/1.8=3, 10325=2...(4) HD2 LYS 2 - HB3 GLU 87 lone 3 99 - 3 - 11410/3.0=1 HG3 LYS 61 - HB3 GLU 87 lone 3 100 - 3 - 11410/3.0=1 HG12 ILE 54 - HB3 GLN 85 lone 2 66 - 3 - 10030/3.0=1 HD3 LYS 53 - HB3 GLU 87 lone 1 90 - 2 - HG3 LYS 61 - HB3 GLN 85 lone 1 73 - 2 - HD2 LYS 2 - HB3 GLN 85 lone 1 71 - 2 - HG13 ILE 7 - HB3 GLU 98 lone 1 57 - 2 - HD3 LYS 53 - HB3 GLN 85 lone 1 59 - 2 - HD3 LYS 53 - HB3 GLU 98 lone 1 47 - 1 - HG12 ILE 54 - HB3 GLU 98 lone 1 52 - 1 - HD2 LYS 2 - HB3 GLU 98 lone 1 57 - 1 - HG3 LYS 61 - HB3 GLU 98 lone 0 59 - 1 - Peak 11410 from cnoeabs.peaks (1.25, 4.04, 58.52 ppm; 5.15 A): 2 out of 6 assignments used, quality = 0.56: QG2 THR 108 + HA GLU 87 OK 50 99 - 51 - 10330=20, 10326/4.0=13...(6) HG13 ILE 7 + HA GLU 87 OK 11 100 - 11 - 11409/3.0=3, 10974/4.0=2...(5) HG12 ILE 54 - HA GLU 87 lone 6 99 - 6 - 11409/3.0=2 HD2 LYS 2 - HA GLU 87 lone 3 96 - 3 - HG3 LYS 61 - HA GLU 87 lone 3 99 - 3 - HD3 LYS 53 - HA GLU 87 lone 1 77 - 2 - Peak 11411 from cnoeabs.peaks (4.33, 0.88, 22.01 ppm; 4.41 A): 3 out of 12 assignments used, quality = 0.93: HA GLU 98 + QG2 VAL 104 OK 80 99 - 81 - 10161=35, 3.0/11510=23...(12) HA PHE 93 + QG2 VAL 104 OK 46 94 - 49 - ~10235=16, 3.7/4668=10...(7) HA GLN 85 + QG2 VAL 104 OK 39 100 - 39 - 3.6/11510=11...(8) HA PHE 93 - QG2 VAL 29 lone 6 55 - 10 - 3.7/4668=2, 3.0/10089=2...(5) HA SER 99 - QG2 VAL 104 lone 3 87 - 4 - 10238/2.1=1 HA GLN 85 - QG2 VAL 29 lone 2 63 - 3 - HA GLU 98 - QG2 VAL 29 lone 2 61 - 3 - HA LYS 49 - QG2 VAL 104 lone 1 84 - 2 - HB THR 9 - QG2 VAL 104 lone 1 92 - 1 - HA SER 99 - QG2 VAL 29 lone 1 49 - 1 - HA LYS 49 - QG2 VAL 29 lone 0 47 - 1 - HB THR 9 - QG2 VAL 29 lone 0 53 - 1 - Peak 11414 from cnoeabs.peaks (7.12, 1.86, 32.95 ppm; 6.20 A): 3 out of 3 assignments used, quality = 0.75: QE PHE 120 + HB2 ARG 105 OK 63 70 - 91 - 10254/3.0=27...(14) QD PHE 51 + HB2 ARG 105 OK 17 99 - 17 - 10254/3.0=7, 10252/3.0=5...(4) QE PHE 93 + HB2 ARG 105 OK 17 73 - 23 - 10252/3.0=7, 10254/3.0=6...(6) Peak 11415 from cnoeabs.peaks (0.04, 1.86, 32.95 ppm; 5.67 A): 1 out of 1 assignment used, quality = 0.92: QG2 ILE 116 + HB2 ARG 105 OK 92 96 - 96 - 10272/1.8=42...(13) Peak 11416 from cnoeabs.peaks (0.67, 2.11, 35.31 ppm; 3.37 A): 5 out of 21 assignments used, quality = 0.83: QD2 LEU 114 + HG2 GLU 21 OK 45 100 - 45 - 10446/3.0=12, 10447=9...(11) QD2 LEU 114 + HG3 GLU 21 OK 45 100 - 45 - 10446/3.0=12, 10447=9...(12) QD1 ILE 116 + HB VAL 107 OK 31 68 - 46 - 11417/2.1=16...(12) QD2 LEU 114 + HB VAL 107 OK 10 79 - 13 - 11417/2.1=8, 10447=2, ~10898=2 QD1 ILE 56 + HB VAL 107 OK 10 70 - 14 - 11417/2.1=4, 11707/2.1=2...(6) QD1 ILE 56 - HG2 GLU 21 lone 7 94 - 8 - 11249/3.0=1, 9548/1.8=1, 9548=1 QD1 ILE 56 - HG3 GLU 21 lone 7 93 - 8 - 11249/3.0=1, 9548/1.8=1, 9548=1 QD1 ILE 116 - HG2 GLU 21 lone 7 92 - 7 - 10498=1, 10498/1.8=1 QD1 ILE 116 - HG3 GLU 21 lone 7 91 - 7 - 10498=1, 10498/1.8=1 QD2 LEU 4 - HG2 GLU 21 lone 2 96 - 2 - 9205/5.0=1 QD2 LEU 4 - HG3 GLU 21 lone 2 95 - 2 - 9205/5.0=1 QD1 LEU 55 - HG2 GLU 21 lone 2 81 - 2 - QD1 LEU 55 - HG3 GLU 21 lone 2 80 - 2 - QD1 LEU 55 - HB VAL 107 lone 1 57 - 2 - 11417/2.1=1 QG2 ILE 97 - HB VAL 107 lone 1 63 - 2 - QD2 LEU 4 - HB VAL 107 lone 1 72 - 1 - QG2 ILE 97 - HG2 GLU 21 lone 1 87 - 1 - QG2 ILE 97 - HG3 GLU 21 lone 1 86 - 1 - QD1 ILE 71 - HB VAL 107 lone 1 51 - 1 - QD1 ILE 71 - HG2 GLU 21 lone 1 73 - 1 - QD1 ILE 71 - HG3 GLU 21 lone 1 73 - 1 - Peak 11417 from cnoeabs.peaks (0.67, 0.87, 20.76 ppm; 3.42 A): 2 out of 7 assignments used, quality = 0.56: QD1 ILE 116 + QG2 VAL 107 OK 44 98 - 45 - 10477/3.2=8, ~11187=7...(12) QD2 LEU 114 + QG2 VAL 107 OK 21 99 - 21 - 3.1/10898=4, 4.5/10442=4...(7) QD1 ILE 56 - QG2 VAL 107 poor 10 84 - 12 - 11707/2.1=2, 11416/2.1=2...(5) QG2 ILE 56 - QG2 VAL 107 lone 6 57 - 10 - ~9548=2, ~10315=1, 4.4/6545=1 QD1 LEU 55 - QG2 VAL 107 lone 3 92 - 3 - QG2 ILE 97 - QG2 VAL 107 lone 2 96 - 2 - QD2 LEU 4 - QG2 VAL 107 lone 1 99 - 1 - Peak 11419 from cnoeabs.peaks (0.86, 2.68, 40.30 ppm; 4.02 A): 4 out of 10 assignments used, quality = 0.91: QD1 LEU 14 + HB3 ASP 110 OK 83 100 - 83 - 10910/1.8=35, 10911=28...(11) QG2 VAL 107 + HB3 ASP 110 OK 29 96 - 31 - 10371/3.0=5, 10377/1.8=5...(8) QG1 VAL 32 + HB3 ASP 110 OK 18 97 - 19 - 10377/1.8=3, 2.1/11420=3...(8) QG2 ILE 15 + HB3 ASP 110 OK 14 84 - 16 - 9180=5, 10377/1.8=3...(7) QG2 VAL 117 - HB3 ASP 110 lone 9 99 - 9 - 10371/3.0=3, 10368/4.0=2...(4) HG13 ILE 57 - HB3 ASP 110 lone 7 100 - 7 - 3.2/9564=2, 10377/1.8=1 QG2 THR 9 - HB3 ASP 110 lone 7 100 - 7 - 10368/4.0=2, 10371/3.0=1...(4) QG2 VAL 22 - HB3 ASP 110 lone 4 98 - 4 - HG13 ILE 5 - HB3 ASP 110 lone 3 81 - 4 - QG2 ILE 5 - HB3 ASP 110 lone 2 61 - 4 - 9180=1 Peak 11420 from cnoeabs.peaks (0.78, 2.68, 40.30 ppm; 4.91 A): 4 out of 11 assignments used, quality = 0.71: QD2 LEU 14 + HB3 ASP 110 OK 54 61 - 87 - 2.1/10911=32, ~10910=32...(11) QG1 VAL 107 + HB3 ASP 110 OK 20 61 - 32 - 2.1/11419=8, 10378/1.8=7...(7) QG2 VAL 32 + HB3 ASP 110 OK 13 61 - 21 - 2.1/11419=5, 10378/1.8=4...(8) QD1 ILE 15 + HB3 ASP 110 OK 12 65 - 18 - 3.0/9180=5, 10378/1.8=4...(6) QD1 LEU 80 - HB3 ASP 110 lone 6 97 - 6 - 10378/1.8=2, ~10378=1 QD2 LEU 80 - HB3 ASP 110 lone 6 98 - 6 - 10378/1.8=2, ~10378=1 QD1 ILE 7 - HB3 ASP 110 lone 5 77 - 6 - 10378/1.8=1 QD1 LEU 82 - HB3 ASP 110 lone 3 99 - 3 - QD2 LEU 64 - HB3 ASP 110 lone 3 100 - 3 - QD1 LEU 81 - HB3 ASP 110 lone 2 97 - 2 - QG1 VAL 29 - HB3 ASP 110 lone 1 65 - 1 - Peak 11422 from cnoeabs.peaks (0.80, 3.99, 59.36 ppm; 3.79 A): 1 out of 8 assignments used, quality = 0.80: QD1 LEU 114 + HA GLU 111 OK 80 99 - 81 - 3.1/8238=25...(13) QD1 LEU 64 - HA GLU 111 poor 9 81 - 11 - 2.1/11192=3, 10441=2...(4) QD2 LEU 64 - HA GLU 111 lone 7 70 - 10 - 2.1/11192=3, 2.1/10441=1...(4) QD1 LEU 81 - HA GLU 111 lone 5 90 - 6 - 10400/3.6=2, 11607/3.0=1 QD1 LEU 74 - HA GLU 111 lone 1 70 - 2 - QD2 LEU 74 - HA GLU 111 lone 1 61 - 2 - QG2 ILE 71 - HA GLU 111 lone 1 70 - 2 - QG1 VAL 29 - HA GLU 111 lone 1 100 - 1 - Peak 11423 from cnoeabs.peaks (0.67, 3.99, 59.36 ppm; 4.50 A): 2 out of 7 assignments used, quality = 0.91: QD2 LEU 114 + HA GLU 111 OK 89 100 - 89 - 2.1/11422=33...(13) QD1 ILE 116 + HA GLU 111 OK 18 90 - 21 - 1748/8237=4, 10476=3...(8) QD1 ILE 56 - HA GLU 111 lone 3 96 - 3 - QG2 ILE 97 - HA GLU 111 lone 2 84 - 3 - QD1 ILE 71 - HA GLU 111 lone 2 77 - 3 - QD2 LEU 4 - HA GLU 111 lone 1 94 - 1 - QD1 LEU 55 - HA GLU 111 lone 1 77 - 2 - Peak 11424 from cnoeabs.peaks (4.02, 1.63, 25.30 ppm; 4.22 A): 7 out of 12 assignments used, quality = 0.86: HA LYS 40 + HG2 LYS 16 OK 57 100 - 58 - 11425/1.8=12, 3653=10...(23) HA GLU 13 + HG2 LYS 16 OK 28 100 - 28 - 3.6/7368=9, 11425/1.8=6...(8) HB2 SER 126 + HG2 LYS 16 OK 22 100 - 22 - 11425/1.8=5, ~11425=3...(8) HB3 SER 126 + HG2 LYS 16 OK 20 97 - 21 - 11425/1.8=5, ~11425=3...(8) HA LYS 123 + HG2 LYS 16 OK 12 100 - 12 - 11425/1.8=3, 7971/3.0=1...(6) HA3 GLY 75 + HG2 LYS 16 OK 11 90 - 12 - 11425/1.8=3, ~2761=2...(4) HA GLU 119 + HG2 LYS 16 OK 10 99 - 10 - 11425/1.8=2, 3653=2...(4) HA PHE 120 - HG2 LYS 16 lone 6 100 - 6 - 1983/5.0=2, 11425/1.8=1 HA GLU 66 - HG2 LYS 16 lone 5 100 - 5 - 11425/1.8=1 HA GLU 92 - HG2 LYS 16 lone 3 94 - 4 - HA GLU 87 - HG2 LYS 16 lone 2 87 - 2 - HA3 GLY 101 - HG2 LYS 16 lone 1 81 - 1 - Peak 11425 from cnoeabs.peaks (4.02, 1.40, 25.30 ppm; 4.09 A): 6 out of 12 assignments used, quality = 0.81: HA LYS 40 + HG3 LYS 16 OK 50 100 - 50 - 11424/1.8=12, ~1254=5...(22) HA GLU 13 + HG3 LYS 16 OK 26 100 - 26 - 3.6/7369=9, 11424/1.8=6...(8) HB2 SER 126 + HG3 LYS 16 OK 20 100 - 20 - 11424/1.8=4, ~11424=3...(8) HB3 SER 126 + HG3 LYS 16 OK 19 97 - 19 - 11424/1.8=4, ~11424=3...(7) HA LYS 123 + HG3 LYS 16 OK 11 100 - 11 - 11424/1.8=3, 7971/3.0=1...(6) HA3 GLY 75 + HG3 LYS 16 OK 11 90 - 12 - 1.8/2761=3, 11424/1.8=2...(4) HA GLU 119 - HG3 LYS 16 lone 9 99 - 9 - 11424/1.8=2, 7971/3.0=1 HA PHE 120 - HG3 LYS 16 lone 5 100 - 5 - 1983/5.0=1, 11424/1.8=1 HA GLU 66 - HG3 LYS 16 lone 5 100 - 5 - 11424/1.8=1 HA GLU 92 - HG3 LYS 16 lone 3 94 - 3 - HA GLU 87 - HG3 LYS 16 lone 2 87 - 2 - HA3 GLY 101 - HG3 LYS 16 lone 1 81 - 1 - Peak 11427 from cnoeabs.peaks (4.05, 1.88, 27.31 ppm; 4.82 A): 3 out of 11 assignments used, quality = 0.69: HA LYS 96 + HG2 ARG 95 OK 50 65 - 77 - 2.9/607=21, ~7792=12...(23) HA GLU 92 + HG2 ARG 95 OK 22 77 - 29 - 8202/3.0=10, 8199/4.7=7...(6) HA LYS 44 + HG2 ARG 95 OK 20 81 - 25 - 3.6/6039=14, 8327/3.0=3...(5) HA2 GLY 125 - HG2 ARG 95 lone 9 99 - 9 - 8326/3.0=2, 8328/3.0=2...(4) HA GLU 87 - HG2 ARG 95 lone 7 87 - 8 - 4.0/11665=2, 4.0/11665=2 HA3 GLY 125 - HG2 ARG 95 lone 7 73 - 9 - 8327/3.0=2, ~8326=1...(5) HA SER 35 - HG2 ARG 95 lone 6 100 - 6 - 9336=1, 9335/1.8=1 HB3 SER 126 - HG2 ARG 95 lone 6 70 - 8 - HA GLU 119 - HG2 ARG 95 lone 3 57 - 6 - 3.0/10546=1 HA GLU 69 - HG2 ARG 95 lone 3 96 - 3 - HA GLU 37 - HG2 ARG 95 lone 3 87 - 3 - Peak 11429 from cnoeabs.peaks (1.82, 2.52, 33.39 ppm; 4.00 A): 2 out of 26 assignments used, quality = 0.79: QE MET 121 + HG3 GLN 25 OK 73 98 - 74 - 10597=31, 10579/3.5=24...(6) QE MET 121 + HG3 GLN 122 OK 23 88 - 26 - 7929/5.1=11, 10597=9 HD2 LYS 123 - HG3 GLN 122 poor 10 52 - 19 - 6.2/781=8, 4.6/10605=7...(4) HB ILE 18 - HG3 GLN 25 lone 5 100 - 5 - 11448/1.8=2 HB2 LEU 14 - HG3 GLN 25 lone 5 100 - 4 - 11448/1.8=1 HB ILE 57 - HG3 GLN 25 lone 4 100 - 4 - 11448/1.8=1 HB3 LYS 19 - HG3 GLN 25 lone 4 92 - 4 - 11448/1.8=1 HB ILE 97 - HG3 GLN 25 lone 3 73 - 4 - 11448/1.8=2, ~10116=1 HD2 LYS 123 - HG3 GLN 25 lone 3 61 - 4 - 6.2/781=2 HB3 ARG 105 - HG3 GLN 25 lone 3 96 - 3 - HG12 ILE 5 - HG3 GLN 25 lone 2 70 - 3 - 11677/3.0=2, 11448/1.8=1 HB3 LYS 77 - HG3 GLN 25 lone 2 70 - 3 - HB ILE 3 - HG3 GLN 25 lone 2 65 - 3 - 11677/3.0=1 HB2 LYS 77 - HG3 GLN 25 lone 2 61 - 3 - HB ILE 18 - HG3 GLN 122 lone 2 91 - 2 - 775/5.1=1 HB ILE 57 - HG3 GLN 122 lone 1 92 - 1 - HB2 LEU 14 - HG3 GLN 122 lone 1 92 - 1 - HG2 ARG 105 - HG3 GLN 25 lone 1 61 - 2 - HB ILE 3 - HG3 GLN 122 lone 1 55 - 2 - ~9012=1 HB3 LYS 19 - HG3 GLN 122 lone 1 81 - 1 - HB3 ARG 105 - HG3 GLN 122 lone 1 85 - 1 - HB3 LYS 77 - HG3 GLN 122 lone 0 59 - 1 - HG12 ILE 5 - HG3 GLN 122 lone 0 59 - 1 - HB2 LYS 77 - HG3 GLN 122 lone 0 52 - 1 - HB ILE 97 - HG3 GLN 122 lone 0 63 - 0 - HG2 ARG 105 - HG3 GLN 122 lone 0 52 - 0 - Peak 11430 from cnoeabs.peaks (2.81, 2.81, 29.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB3 GLN 25 + HB3 GLN 25 OK 100 100 - 100 Peak 11431 from cnoeabs.peaks (2.02, 2.02, 29.02 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 GLN 25 + HB2 GLN 25 OK 100 100 - 100 Peak 11432 from cnoeabs.peaks (2.51, 2.81, 29.02 ppm; 4.11 A): 1 out of 1 assignment used, quality = 0.90: HG3 GLN 25 + HB3 GLN 25 OK 90 90 - 100 - 3.0=100 Peak 11433 from cnoeabs.peaks (2.37, 2.81, 29.02 ppm; 4.33 A): 1 out of 1 assignment used, quality = 0.87: HG2 GLN 25 + HB3 GLN 25 OK 87 87 - 100 - 3.0=100 Peak 11434 from cnoeabs.peaks (2.02, 2.81, 29.02 ppm; 3.50 A): 1 out of 1 assignment used, quality = 1.00: HB2 GLN 25 + HB3 GLN 25 OK 100 100 - 100 - 1.8=100 Peak 11435 from cnoeabs.peaks (2.38, 2.02, 29.02 ppm; 3.17 A): 1 out of 1 assignment used, quality = 0.97: HG2 GLN 25 + HB2 GLN 25 OK 97 97 - 100 - 3.0=100 Peak 11436 from cnoeabs.peaks (2.51, 2.02, 29.02 ppm; 4.17 A): 1 out of 1 assignment used, quality = 0.97: HG3 GLN 25 + HB2 GLN 25 OK 97 97 - 100 - 3.0=100 Peak 11437 from cnoeabs.peaks (2.81, 2.02, 29.02 ppm; 3.46 A): 1 out of 1 assignment used, quality = 0.92: HB3 GLN 25 + HB2 GLN 25 OK 92 92 - 100 - 1.8=100 Peak 11438 from cnoeabs.peaks (4.64, 2.02, 29.02 ppm; 4.07 A): 1 out of 1 assignment used, quality = 0.99: HA GLN 25 + HB2 GLN 25 OK 99 99 - 100 - 3.0=100 Peak 11439 from cnoeabs.peaks (4.64, 2.81, 29.02 ppm; 4.11 A): 1 out of 1 assignment used, quality = 0.98: HA GLN 25 + HB3 GLN 25 OK 98 98 - 100 - 3.0=100 Peak 11440 from cnoeabs.peaks (6.78, 2.81, 29.02 ppm; 4.91 A): 1 out of 2 assignments used, quality = 0.89: QD TYR 27 + HB3 GLN 25 OK 89 99 - 90 - 4571/1.8=43, 4578=42...(7) QD PHE 120 - HB3 GLN 25 lone 6 97 - 6 - 10581/10598=3, 11444/1.8=2 Peak 11441 from cnoeabs.peaks (7.56, 2.81, 29.02 ppm; 4.97 A): 1 out of 1 assignment used, quality = 0.99: HE21 GLN 25 + HB3 GLN 25 OK 99 99 - 100 - 4.4=100 Peak 11442 from cnoeabs.peaks (6.57, 2.81, 29.02 ppm; 5.48 A): 1 out of 1 assignment used, quality = 0.67: QE TYR 27 + HB3 GLN 25 OK 67 73 - 92 - 2.2/4578=42, ~4571=38...(8) Peak 11443 from cnoeabs.peaks (6.58, 2.02, 29.02 ppm; 6.10 A): 1 out of 1 assignment used, quality = 0.92: QE TYR 27 + HB2 GLN 25 OK 92 97 - 95 - 4579/1.8=46...(6) Peak 11444 from cnoeabs.peaks (6.79, 2.02, 29.02 ppm; 5.16 A): 1 out of 2 assignments used, quality = 0.93: QD TYR 27 + HB2 GLN 25 OK 93 100 - 93 - 4578/1.8=46, 4571=44...(7) QD PHE 120 - HB2 GLN 25 lone 4 100 - 4 - 11440/1.8=3 Peak 11445 from cnoeabs.peaks (7.56, 2.02, 29.02 ppm; 4.46 A): 1 out of 1 assignment used, quality = 0.99: HE21 GLN 25 + HB2 GLN 25 OK 99 99 - 100 - 4.4=100 Peak 11446 from cnoeabs.peaks (4.11, 2.81, 29.02 ppm; 5.47 A): 2 out of 6 assignments used, quality = 0.89: HB3 SER 72 + HB3 GLN 25 OK 67 87 - 77 - 11449/1.8=24, ~11449=22...(12) HB2 SER 72 + HB3 GLN 25 OK 67 87 - 77 - 11449/1.8=24, ~11449=22...(12) HA ASP 110 - HB3 GLN 25 lone 5 77 - 6 - 3.6/10395=2, 3.0/697=1 HA3 GLY 26 - HB3 GLN 25 lone 3 73 - 4 - 4577/4578=2 HA GLN 62 - HB3 GLN 25 lone 2 99 - 2 - HA MET 1 - HB3 GLN 25 lone 2 96 - 2 - Peak 11448 from cnoeabs.peaks (1.82, 2.38, 33.39 ppm; 4.30 A): 1 out of 13 assignments used, quality = 0.72: QE MET 121 + HG2 GLN 25 OK 72 98 - 73 - 10597/1.8=33...(5) HB ILE 18 - HG2 GLN 25 lone 6 100 - 6 - 11429/1.8=1, 11677/3.0=1 HB ILE 97 - HG2 GLN 25 lone 5 73 - 7 - 4.4/1656=4, 2.1/10116=1 HB2 LEU 14 - HG2 GLN 25 lone 5 100 - 5 - 11429/1.8=1, 11012/3.5=1 HB ILE 57 - HG2 GLN 25 lone 5 100 - 5 - 11429/1.8=1 HG12 ILE 5 - HG2 GLN 25 lone 4 70 - 6 - 9052/4581=2, 11677/3.0=2 HB3 LYS 19 - HG2 GLN 25 lone 4 92 - 4 - 11429/1.8=1 HB ILE 3 - HG2 GLN 25 lone 3 65 - 5 - 4591/4581=2, 11677/3.0=1 HB3 ARG 105 - HG2 GLN 25 lone 3 96 - 3 - HB3 LYS 77 - HG2 GLN 25 lone 2 70 - 3 - HB2 LYS 77 - HG2 GLN 25 lone 2 61 - 3 - HD2 LYS 123 - HG2 GLN 25 lone 2 61 - 3 - HG2 ARG 105 - HG2 GLN 25 lone 1 61 - 2 - Peak 11449 from cnoeabs.peaks (4.11, 2.02, 29.02 ppm; 3.48 A): 2 out of 6 assignments used, quality = 0.62: HB3 SER 72 + HB2 GLN 25 OK 38 87 - 44 - 1.8/11450=13, 11450=7...(11) HB2 SER 72 + HB2 GLN 25 OK 38 87 - 44 - 1.8/11450=13, 11450=7...(11) HA ASP 110 - HB2 GLN 25 lone 1 77 - 2 - HA3 GLY 26 - HB2 GLN 25 lone 1 73 - 2 - HA GLN 62 - HB2 GLN 25 lone 1 99 - 1 - HA MET 1 - HB2 GLN 25 lone 1 96 - 1 - Peak 11450 from cnoeabs.peaks (2.02, 4.13, 62.80 ppm; 3.48 A): 3 out of 36 assignments used, quality = 0.72: HB2 GLN 25 + HB2 SER 72 OK 43 82 - 52 - 11449/1.8=17, 11449=9...(11) HB2 GLN 25 + HB3 SER 72 OK 43 82 - 52 - 11449/1.8=17, 11449=9...(11) HB2 GLN 25 + HA VAL 22 OK 14 100 - 14 - 4571/4577=3, 4.4/10853=3...(5) HB2 GLU 66 - HA VAL 22 lone 5 70 - 8 - 1.8/8114=1, 3.0/11069=1 HB2 GLU 66 - HB2 SER 72 lone 2 50 - 4 - HB2 GLU 66 - HB3 SER 72 lone 2 50 - 4 - HB2 GLU 89 - HA VAL 22 lone 2 70 - 2 - HB3 GLU 89 - HA VAL 22 lone 2 70 - 2 - HG2 GLU 128 - HA VAL 22 lone 1 94 - 1 - HG3 GLU 128 - HA VAL 22 lone 1 94 - 1 - HB3 GLN 85 - HA VAL 22 lone 1 70 - 1 - HB3 GLU 111 - HA VAL 22 lone 1 100 - 1 - HB2 MET 1 - HA VAL 22 lone 1 97 - 1 - HB3 GLU 87 - HA VAL 22 lone 0 70 - 1 - HB3 GLU 111 - HB3 SER 72 lone 0 83 - 0 - HB3 GLU 111 - HB2 SER 72 lone 0 83 - 0 - HG2 GLU 128 - HB2 SER 72 lone 0 73 - 0 - HG3 GLU 128 - HB3 SER 72 lone 0 73 - 0 - HG3 GLU 128 - HB2 SER 72 lone 0 73 - 0 - HG2 GLU 128 - HB3 SER 72 lone 0 73 - 0 - HB2 GLU 89 - HB3 SER 72 lone 0 50 - 1 - HB3 GLU 89 - HB2 SER 72 lone 0 50 - 1 - HB2 GLU 89 - HB2 SER 72 lone 0 50 - 1 - HB3 GLU 89 - HB3 SER 72 lone 0 50 - 1 - HB2 MET 1 - HB2 SER 72 lone 0 77 - 0 - HB2 MET 1 - HB3 SER 72 lone 0 77 - 0 - HB3 GLN 85 - HB3 SER 72 lone 0 50 - 1 - HB3 GLN 85 - HB2 SER 72 lone 0 50 - 1 - HB2 GLU 48 - HA VAL 22 lone 0 70 - 0 - HB3 GLU 48 - HA VAL 22 lone 0 70 - 0 - HB3 GLU 87 - HB2 SER 72 lone 0 50 - 0 - HB3 GLU 87 - HB3 SER 72 lone 0 50 - 0 - HB2 GLU 48 - HB2 SER 72 lone 0 50 - 0 - HB2 GLU 48 - HB3 SER 72 lone 0 50 - 0 - HB3 GLU 48 - HB3 SER 72 lone 0 50 - 0 - HB3 GLU 48 - HB2 SER 72 lone 0 50 - 0 - Peak 11453 from cnoeabs.peaks (8.38, 2.91, 39.32 ppm; 5.18 A): 1 out of 1 assignment used, quality = 0.94: H ASN 11 + HB2 ASN 10 OK 94 94 - 100 - 4.4=100 Peak 11454 from cnoeabs.peaks (2.06, 0.93, 20.69 ppm; 4.02 A): 4 out of 14 assignments used, quality = 0.89: HB3 GLU 98 + QG1 VAL 104 OK 69 96 - 73 - 1.8/11455=20...(11) HB2 LYS 94 + QG1 VAL 104 OK 54 94 - 57 - 3.0/10236=29...(10) HB2 GLN 28 + QG1 VAL 104 OK 12 100 - 12 - ~9240=4, 3.0/10242=4...(4) HB3 MET 67 + QG1 VAL 104 OK 12 87 - 14 - 9707=6, 3.0/9717=1...(5) HB3 GLN 100 - QG1 VAL 104 lone 7 84 - 8 - 3.0/10233=3, 3.0/10232=3 HB3 PHE 79 - QG1 VAL 104 lone 5 81 - 7 - ~10244=3, ~4644=2 HB2 GLU 13 - QG1 VAL 104 lone 4 100 - 4 - 3.0/10232=1, 1.8/11455=1 HG2 GLU 119 - QG1 VAL 104 lone 3 77 - 4 - 11202/10235=3 HB2 GLU 92 - QG1 VAL 104 lone 1 96 - 1 - HB3 GLU 91 - QG1 VAL 104 lone 1 96 - 1 - HB VAL 117 - QG1 VAL 104 lone 1 81 - 1 - HG3 GLU 52 - QG1 VAL 104 lone 1 70 - 1 - HB2 GLU 47 - QG1 VAL 104 lone 1 99 - 1 - HB3 MET 121 - QG1 VAL 104 lone 1 73 - 1 - Peak 11455 from cnoeabs.peaks (2.17, 0.93, 20.69 ppm; 4.50 A): 2 out of 6 assignments used, quality = 0.80: HB2 GLU 98 + QG1 VAL 104 OK 71 87 - 81 - 3.0/10233=24...(13) HB2 GLN 85 + QG1 VAL 104 OK 30 98 - 31 - 11404/2.1=8, 3.0/10238=6...(8) HB3 GLU 37 - QG1 VAL 104 lone 5 96 - 5 - 3.0/10233=2 HB3 GLU 13 - QG1 VAL 104 lone 4 97 - 4 - 3.0/10232=2, 1.8/11454=1 HB2 GLN 62 - QG1 VAL 104 lone 1 100 - 1 - HB3 GLN 62 - QG1 VAL 104 lone 1 100 - 1 - Peak 11456 from cnoeabs.peaks (1.58, 2.12, 35.23 ppm; 6.20 A): 7 out of 36 assignments used, quality = 0.94: HG12 ILE 116 + HB VAL 107 OK 84 100 - 84 - ~10477=27, ~11187=27...(13) HG3 LYS 19 + HB VAL 107 OK 25 81 - 31 - ~11460=12, 3.0/10897=9...(5) HD2 LYS 19 + HB VAL 107 OK 16 87 - 18 - 3.6/10897=8, ~11672=5, ~11185=4 HD3 LYS 19 + HB VAL 107 OK 16 87 - 18 - 3.6/10897=8, ~11672=5, ~11185=4 HG LEU 82 + HB VAL 107 OK 13 73 - 18 - ~11186=6, ~11185=4...(4) HG12 ILE 116 + HG2 GLU 21 OK 12 79 - 15 - ~10498=2, 10906/1.8=2...(8) HG12 ILE 116 + HG3 GLU 21 OK 11 70 - 15 - ~10498=2, 10906/1.8=2...(8) HG2 LYS 123 - HB VAL 107 lone 8 97 - 8 - 4.7/7857=1, 2.9/10897=1...(4) HG3 LYS 19 - HG2 GLU 21 poor 7 57 - 13 - 5.0/9201=8, 3.0/10897=2 HG3 LYS 19 - HG3 GLU 21 poor 6 49 - 13 - 5.0/9201=8, 3.0/10897=2 HG LEU 55 - HB VAL 107 lone 5 73 - 6 - ~11457=2, ~11417=2, ~9503=1 HG2 LYS 123 - HG2 GLU 21 lone 5 73 - 7 - HG2 LYS 44 - HB VAL 107 lone 5 100 - 5 - HG2 LYS 123 - HG3 GLU 21 lone 4 64 - 6 - HG3 LYS 96 - HB VAL 107 lone 4 87 - 4 - HB3 LEU 70 - HG2 GLU 21 lone 3 63 - 5 - 8142/4.0=2 HG2 LYS 44 - HG2 GLU 21 lone 3 79 - 4 - HD2 LYS 19 - HG2 GLU 21 lone 3 63 - 5 - 3.6/10897=2 HD3 LYS 19 - HG2 GLU 21 lone 3 63 - 5 - 3.6/10897=2 HB3 LEU 70 - HB VAL 107 lone 3 87 - 3 - HG LEU 55 - HG2 GLU 21 lone 3 51 - 5 - ~11246=2, ~11245=1 HG LEU 68 - HB VAL 107 lone 3 98 - 3 - HG2 LYS 44 - HG3 GLU 21 lone 3 70 - 4 - HB3 LEU 70 - HG3 GLU 21 lone 3 54 - 5 - 8142/4.0=2 HD3 LYS 19 - HG3 GLU 21 lone 2 54 - 4 - 3.6/10897=2 HD2 LYS 19 - HG3 GLU 21 lone 2 54 - 4 - 3.6/10897=2 HG LEU 55 - HG3 GLU 21 lone 2 44 - 5 - ~11246=2, ~11245=1 HG2 LYS 73 - HB VAL 107 lone 2 77 - 3 - HG3 LYS 96 - HG2 GLU 21 lone 2 63 - 3 - HG LEU 68 - HG2 GLU 21 lone 2 75 - 2 - HG3 LYS 96 - HG3 GLU 21 lone 2 54 - 3 - HG LEU 68 - HG3 GLU 21 lone 2 66 - 2 - HG2 LYS 73 - HG2 GLU 21 lone 1 54 - 3 - HG2 LYS 73 - HG3 GLU 21 lone 1 47 - 3 - HG LEU 82 - HG2 GLU 21 lone 1 51 - 2 - HG LEU 82 - HG3 GLU 21 lone 1 44 - 2 - Peak 11457 from cnoeabs.peaks (1.33, 0.87, 20.76 ppm; 4.45 A): 2 out of 4 assignments used, quality = 0.64: HG LEU 81 + QG2 VAL 107 OK 58 87 - 67 - 11639=18, 11458/2.1=17...(10) HG3 LYS 65 + QG2 VAL 107 OK 14 92 - 15 - 3.9/10307=6, 5.0/10297=5 HG3 LYS 94 - QG2 VAL 107 lone 5 84 - 6 - 4.9/7858=4 HB3 LEU 55 - QG2 VAL 107 lone 3 81 - 4 - 3.1/11417=1 Peak 11458 from cnoeabs.peaks (1.34, 0.76, 21.72 ppm; 3.94 A): 3 out of 4 assignments used, quality = 0.80: HG LEU 81 + QG1 VAL 107 OK 55 100 - 55 - 11457/2.1=18, 11638=10...(10) HB3 LEU 81 + QG1 VAL 107 OK 49 84 - 58 - ~11457=11, 3.0/10310=11...(13) HG3 LYS 65 + QG1 VAL 107 OK 11 100 - 11 - 11457/2.1=4, 3.9/10314=4 HG2 LYS 77 - QG1 VAL 107 lone 3 87 - 3 - Peak 11459 from cnoeabs.peaks (1.91, 0.87, 20.76 ppm; 4.83 A): 2 out of 20 assignments used, quality = 0.66: HB2 LEU 81 + QG2 VAL 107 OK 61 84 - 73 - 3.0/11457=26...(12) HB ILE 7 + QG2 VAL 107 OK 13 81 - 17 - 3.2/11584=4, 3.0/11618=4...(5) HB3 LYS 17 - QG2 VAL 107 lone 5 73 - 7 - 3.0/10308=2, 10914/11417=1 HB3 LYS 123 - QG2 VAL 107 lone 3 96 - 3 - HB ILE 15 - QG2 VAL 107 lone 3 94 - 3 - HB ILE 71 - QG2 VAL 107 lone 3 92 - 3 - HB2 GLU 128 - QG2 VAL 107 lone 3 99 - 3 - 4.0/10296=1 HB2 LYS 96 - QG2 VAL 107 lone 2 99 - 2 - HB3 LYS 44 - QG2 VAL 107 lone 2 100 - 2 - HB2 LYS 44 - QG2 VAL 107 lone 2 99 - 2 - HB2 ARG 95 - QG2 VAL 107 lone 2 94 - 2 - HG2 MET 121 - QG2 VAL 107 lone 2 90 - 2 - HB2 LEU 45 - QG2 VAL 107 lone 2 100 - 2 - HB2 LYS 49 - QG2 VAL 107 lone 2 97 - 2 - HB2 LYS 73 - QG2 VAL 107 lone 1 90 - 2 - HB3 LYS 73 - QG2 VAL 107 lone 1 87 - 1 - HB2 LYS 43 - QG2 VAL 107 lone 1 100 - 1 - HB3 LYS 43 - QG2 VAL 107 lone 1 99 - 1 - HB2 LYS 20 - QG2 VAL 107 lone 1 73 - 1 - HB3 LYS 20 - QG2 VAL 107 lone 1 73 - 1 - Peak 11460 from cnoeabs.peaks (1.79, 0.87, 20.76 ppm; 4.99 A): 3 out of 8 assignments used, quality = 0.48: HB2 LYS 19 + QG2 VAL 107 OK 32 100 - 32 - ~10897=6, 3.0/9198=6...(8) HB2 LEU 64 + QG2 VAL 107 OK 15 100 - 15 - 4.2/10297=7, 1.8/11185=3 HB3 GLN 28 + QG2 VAL 107 OK 10 99 - 10 - 3.0/9240=4, 11484/2.1=2...(4) HB2 LEU 90 - QG2 VAL 107 poor 9 90 - 10 - 4.0/10297=4, 3.0/5781=2 HB2 ARG 118 - QG2 VAL 107 lone 7 87 - 8 - 4.1/745=2, 3.0/10542=2 HB VAL 32 - QG2 VAL 107 lone 7 90 - 7 - 4.4/185=2, 3.9/1206=2, ~9302=1 HG2 ARG 105 - QG2 VAL 107 lone 5 65 - 8 - 10273/10492=3, 11016/11417=1 HB ILE 3 - QG2 VAL 107 lone 1 61 - 2 - Peak 11462 from cnoeabs.peaks (2.85, 2.29, 36.01 ppm; 4.40 A): 3 out of 20 assignments used, quality = 0.65: HB2 ASN 88 + HG2 GLU 87 OK 35 89 - 39 - 1580/5.0=23, 11083/3.0=5...(6) HB2 ASN 88 + HG3 GLU 87 OK 35 89 - 39 - 1580/5.0=23, 11083/3.0=5...(6) HB2 ASN 88 + HG2 GLU 111 OK 18 100 - 18 - 4.2/7872=3, ~11084=3...(9) HB2 ASN 88 - HG2 GLU 47 lone 2 55 - 3 - HB3 TYR 76 - HG2 GLU 87 lone 2 90 - 2 - HB3 TYR 76 - HG3 GLU 87 lone 2 90 - 2 - HE2 LYS 17 - HG2 GLU 111 lone 2 100 - 2 - HB2 ASP 36 - HG2 GLU 69 lone 2 60 - 3 - 4.3/1228=2 HE2 LYS 17 - HG2 GLU 87 lone 1 90 - 1 - HE2 LYS 17 - HG3 GLU 87 lone 1 90 - 1 - HB2 ASP 36 - HG3 GLU 87 lone 1 87 - 1 - HB2 ASP 36 - HG2 GLU 87 lone 1 87 - 1 - HB3 TYR 76 - HG2 GLU 111 lone 1 100 - 1 - HB2 ASP 36 - HG2 GLU 111 lone 1 99 - 1 - HB2 ASN 88 - HG2 GLU 69 lone 1 62 - 1 - HB3 TYR 76 - HG2 GLU 69 lone 0 63 - 1 - HE2 LYS 17 - HG2 GLU 69 lone 0 63 - 1 - HB3 TYR 76 - HG2 GLU 47 lone 0 55 - 1 - HE2 LYS 17 - HG2 GLU 47 lone 0 55 - 1 - HB2 ASP 36 - HG2 GLU 47 lone 0 53 - 1 - Peak 11463 from cnoeabs.peaks (1.65, 4.00, 58.75 ppm; 3.53 A): 5 out of 12 assignments used, quality = 0.79: HD2 LYS 115 + HA GLU 112 OK 38 98 - 39 - 3.7/8247=8, 3.7/8245=8...(10) HD3 LYS 115 + HA GLU 112 OK 36 94 - 38 - 3.7/8247=8, 3.7/8245=8...(10) HG LEU 114 + HA GLU 112 OK 34 100 - 34 - 2.1/10441=7, 3.0/8239=4...(13) HD3 LYS 65 + HA GLU 112 OK 12 100 - 12 - 3.4/8247=2, 3.4/8247=2...(5) HD2 LYS 65 + HA GLU 112 OK 12 99 - 12 - 3.4/8247=2, 3.4/8247=2...(5) HG LEU 64 - HA GLU 112 lone 8 96 - 9 - ~10400=1, 10397/3.0=1 HG LEU 90 - HA GLU 112 lone 3 90 - 3 - HB ILE 5 - HA GLU 112 lone 2 99 - 2 - HB2 GLU 52 - HA GLU 112 lone 1 98 - 1 - HD2 LYS 49 - HA GLU 112 lone 1 100 - 1 - HD3 LYS 49 - HA GLU 112 lone 1 100 - 1 - HB2 ARG 30 - HA GLU 112 lone 1 99 - 1 - Peak 11464 from cnoeabs.peaks (0.78, 2.34, 36.01 ppm; 4.17 A): 6 out of 20 assignments used, quality = 0.82: QG1 VAL 107 + HG3 GLU 112 OK 42 84 - 50 - 2.1/11021=12, 11020=11...(11) QG1 VAL 107 + HG2 GLU 112 OK 42 84 - 50 - 2.1/11021=11, 11020=11...(11) QD2 LEU 14 + HG3 GLU 112 OK 18 84 - 22 - 11008=5, 11008/1.8=4...(7) QD2 LEU 14 + HG2 GLU 112 OK 18 84 - 22 - 11008=5, 11008/1.8=4...(7) QD1 LEU 81 + HG3 GLU 112 OK 11 84 - 13 - 10400/4.9=3, 11607/3.0=3...(5) QD1 LEU 81 + HG2 GLU 112 OK 11 84 - 13 - 10400/4.9=3, 11607/3.0=3...(5) QD2 LEU 64 - HG3 GLU 112 lone 5 97 - 5 - 10400/4.9=2 QD2 LEU 64 - HG2 GLU 112 lone 5 97 - 5 - 10400/4.9=2 QD1 ILE 15 - HG3 GLU 112 lone 5 87 - 5 - 2713/4.9=3 QD1 ILE 15 - HG2 GLU 112 lone 5 87 - 5 - 2713/4.9=3 QD1 ILE 7 - HG3 GLU 112 lone 4 94 - 4 - QD1 ILE 7 - HG2 GLU 112 lone 4 94 - 4 - QG2 VAL 32 - HG3 GLU 112 lone 4 84 - 4 - QG2 VAL 32 - HG2 GLU 112 lone 4 84 - 4 - QD1 LEU 80 - HG2 GLU 112 lone 2 100 - 2 - QD1 LEU 80 - HG3 GLU 112 lone 2 100 - 2 - QD2 LEU 80 - HG2 GLU 112 lone 2 100 - 2 - QD2 LEU 80 - HG3 GLU 112 lone 2 100 - 2 - QD1 LEU 82 - HG2 GLU 112 lone 2 100 - 2 - QD1 LEU 82 - HG3 GLU 112 lone 2 100 - 2 - Peak 11465 from cnoeabs.peaks (0.87, 2.34, 36.01 ppm; 4.09 A): 6 out of 18 assignments used, quality = 0.92: QG2 VAL 107 + HG3 GLU 112 OK 56 100 - 56 - 11021=14, 11021/1.8=12...(14) QG2 VAL 107 + HG2 GLU 112 OK 56 100 - 56 - 11021=14, 11021/1.8=12...(14) QG2 VAL 117 + HG3 GLU 112 OK 20 100 - 20 - 4.0/7878=4, 3.2/8278=4...(6) QG2 VAL 117 + HG2 GLU 112 OK 20 100 - 20 - 4.0/7878=4, 3.2/8278=4...(6) QD1 LEU 14 + HG3 GLU 112 OK 20 94 - 21 - 2.1/11008=5, 7357/4.9=5...(6) QD1 LEU 14 + HG2 GLU 112 OK 20 94 - 21 - 2.1/11008=5, 7357/4.9=5...(6) QG1 VAL 32 - HG3 GLU 112 lone 5 100 - 5 - 10399/4.9=1 QG1 VAL 32 - HG2 GLU 112 lone 5 100 - 5 - 10399/4.9=1 QG2 THR 9 - HG3 GLU 112 lone 4 99 - 5 - 9125/4.9=3 QG2 THR 9 - HG2 GLU 112 lone 4 99 - 5 - 9125/4.9=3 QG2 VAL 22 - HG3 GLU 112 lone 4 81 - 5 - 10870=2, 10870/1.8=1 QG2 VAL 22 - HG2 GLU 112 lone 4 80 - 5 - 10870=2, 10870/1.8=1 QD2 LEU 90 - HG3 GLU 112 lone 2 81 - 3 - 10399/4.9=1 QD2 LEU 90 - HG2 GLU 112 lone 2 80 - 3 - 10399/4.9=1 QG2 VAL 104 - HG2 GLU 112 lone 1 73 - 2 - QG2 VAL 104 - HG3 GLU 112 lone 1 73 - 2 - HG13 ILE 57 - HG3 GLU 112 lone 1 94 - 1 - HG13 ILE 57 - HG2 GLU 112 lone 1 94 - 1 - Peak 11466 from cnoeabs.peaks (4.01, 1.65, 26.77 ppm; 4.93 A): 4 out of 39 assignments used, quality = 0.69: HA GLU 112 + HG LEU 114 OK 43 90 - 49 - 11463=10, 3.0/10397=8...(13) HA LYS 17 + HG LEU 114 OK 28 73 - 38 - ~10915=13, ~10914=12...(8) HA PHE 120 + HG LEU 90 OK 14 52 - 28 - ~11579=20, 10556/3.0=7 HA GLU 112 + HG LEU 64 OK 11 72 - 16 - 11463=2, ~10400=2...(5) HA3 GLY 101 - HG LEU 64 poor 10 87 - 11 - ~9694=3, ~8100=2...(4) HB3 SER 99 - HG LEU 114 lone 9 87 - 10 - 4.5/7884=1, ~10441=1...(5) HB2 SER 99 - HG LEU 114 lone 9 87 - 10 - 4.5/7884=1, ~10441=1...(5) HA3 GLY 75 - HG LEU 64 lone 8 85 - 9 - 3.6/9830=5, ~467=1, ~468=1 HA3 GLY 75 - HG LEU 114 lone 7 99 - 7 - 3.6/9830=4 HA GLU 66 - HG LEU 90 poor 6 41 - 14 - ~9696=6, ~11062=3...(4) HA GLU 112 - HG LEU 90 lone 4 60 - 6 - ~10399=2, 3.0/10397=1 HA GLU 66 - HG LEU 64 lone 3 50 - 6 - 8131/5.2=3 HA3 GLY 101 - HG LEU 114 lone 3 100 - 3 - HA GLU 119 - HG LEU 114 lone 3 61 - 5 - ~751=2 HA LYS 17 - HG LEU 64 lone 2 57 - 4 - ~11475=1 HA GLU 66 - HG LEU 114 lone 2 65 - 4 - HA PHE 120 - HG LEU 64 lone 2 64 - 4 - 5.6/4730=2 HA LYS 40 - HG LEU 90 lone 2 52 - 4 - ~9392=3 HA PHE 120 - HG LEU 114 lone 2 81 - 2 - HA LYS 123 - HG LEU 114 lone 2 70 - 2 - HB2 SER 126 - HG LEU 90 lone 2 49 - 3 - HA LYS 40 - HG LEU 114 lone 2 81 - 2 - HA GLU 119 - HG LEU 90 lone 2 38 - 4 - ~751=1, 8289/5.3=1 HA GLU 119 - HG LEU 64 lone 1 47 - 3 - ~749=2 HB3 SER 99 - HG LEU 64 lone 1 70 - 2 - HB2 SER 99 - HG LEU 64 lone 1 70 - 2 - HA LYS 123 - HG LEU 64 lone 1 54 - 2 - HA GLU 13 - HG LEU 114 lone 1 65 - 1 - HA LYS 40 - HG LEU 64 lone 1 64 - 1 - HA3 GLY 75 - HG LEU 90 lone 1 71 - 1 - HA3 GLY 101 - HG LEU 90 lone 1 73 - 1 - HA LYS 123 - HG LEU 90 lone 1 44 - 2 - HB2 SER 126 - HG LEU 114 lone 1 77 - 1 - HA GLU 13 - HG LEU 64 lone 1 50 - 1 - HB2 SER 99 - HG LEU 90 lone 1 57 - 1 - HB3 SER 99 - HG LEU 90 lone 1 57 - 1 - HB2 SER 126 - HG LEU 64 lone 1 61 - 1 - HA GLU 13 - HG LEU 90 lone 1 41 - 1 - HA LYS 17 - HG LEU 90 lone 1 46 - 1 - Peak 11467 from cnoeabs.peaks (2.31, 1.66, 29.55 ppm; 4.13 A): 0 out of 32 assignments used, low quality = 0.00: HG3 GLU 13 - HD2 LYS 115 lone 6 100 - 6 - ~11216=2, 11303/3.0=1 HG3 GLU 89 - HD2 LYS 65 lone 6 99 - 6 - 11303/3.0=2, 11303/3.0=2 HG3 GLU 89 - HD3 LYS 65 lone 5 96 - 6 - 11303/3.0=2, 11303/3.0=2 HG3 GLU 13 - HD3 LYS 115 lone 5 99 - 5 - 1.8/11216=2, 11303/3.0=1 HG3 GLU 89 - HD2 LYS 115 lone 3 100 - 3 - HG3 GLU 89 - HD3 LYS 115 lone 3 99 - 3 - HG2 GLU 92 - HD2 LYS 65 lone 3 96 - 3 - HG2 GLU 92 - HD3 LYS 65 lone 3 93 - 3 - HG2 GLU 87 - HD2 LYS 65 lone 3 75 - 3 - HG3 GLU 87 - HD2 LYS 65 lone 3 75 - 3 - HG3 GLU 87 - HD3 LYS 65 lone 2 70 - 3 - HG2 GLU 87 - HD3 LYS 65 lone 2 70 - 3 - HG2 GLU 47 - HD2 LYS 65 lone 2 75 - 3 - ~11239=1 HG2 GLU 47 - HD3 LYS 65 lone 2 70 - 3 - ~11239=1 HG2 GLU 92 - HD2 LYS 115 lone 2 98 - 2 - HG2 GLU 92 - HD3 LYS 115 lone 2 97 - 2 - HG3 GLU 13 - HD2 LYS 65 lone 2 99 - 2 - HG3 GLU 13 - HD3 LYS 65 lone 2 96 - 2 - HG2 GLU 87 - HD2 LYS 115 lone 2 77 - 2 - HG3 GLU 87 - HD2 LYS 115 lone 2 77 - 2 - HG2 GLU 87 - HD3 LYS 115 lone 2 75 - 2 - HG3 GLU 87 - HD3 LYS 115 lone 2 75 - 2 - HG2 GLU 47 - HD2 LYS 115 lone 1 77 - 1 - HG2 GLU 47 - HD3 LYS 115 lone 1 75 - 1 - HG3 GLU 48 - HD2 LYS 65 lone 1 92 - 1 - HG3 GLU 48 - HD3 LYS 65 lone 1 88 - 1 - HG3 GLU 48 - HD2 LYS 115 lone 1 94 - 1 - HG3 GLU 48 - HD3 LYS 115 lone 1 92 - 1 - HG3 GLU 103 - HD2 LYS 65 lone 1 82 - 1 - HG3 GLU 103 - HD3 LYS 65 lone 1 77 - 1 - HG3 GLU 103 - HD2 LYS 115 lone 1 84 - 1 - HG3 GLU 103 - HD3 LYS 115 lone 1 82 - 1 - Peak 11468 from cnoeabs.peaks (2.40, 1.66, 29.55 ppm; 4.28 A): 0 out of 40 assignments used, low quality = 0.00: HG3 MET 67 - HD2 LYS 65 lone 8 95 - 9 - 3.3/9722=3, ~9722=2, 9730/4.8=2 HG3 MET 67 - HD3 LYS 65 lone 8 91 - 9 - 3.3/9722=3, ~9722=2, 9730/4.8=2 HG3 GLN 85 - HD2 LYS 115 lone 8 100 - 8 - 3.5/11595=2, ~11595=2 HG2 GLN 85 - HD2 LYS 115 lone 7 99 - 8 - 3.5/11595=2, ~11595=2 HG3 GLN 85 - HD3 LYS 115 lone 7 99 - 8 - 3.5/11595=2, ~11595=2 HG2 GLN 85 - HD3 LYS 115 lone 7 98 - 8 - 3.5/11595=2, ~11595=2 HG3 GLN 85 - HD2 LYS 65 lone 6 99 - 6 - 3.5/11595=2, ~11595=1 HG2 GLN 85 - HD2 LYS 65 lone 6 97 - 6 - 3.5/11595=2, ~11595=1 HG3 GLN 85 - HD3 LYS 65 lone 6 95 - 6 - 3.5/11595=2, ~11595=1 HG2 GLN 85 - HD3 LYS 65 lone 6 94 - 6 - 3.5/11595=2, ~11595=1 HG2 GLU 66 - HD2 LYS 65 lone 4 87 - 5 - 3.7/10461=4 HG2 GLU 66 - HD3 LYS 65 lone 4 83 - 5 - 3.7/10461=4 HG3 MET 67 - HD2 LYS 115 lone 3 97 - 4 - 3.3/9722=1 HG3 MET 67 - HD3 LYS 115 lone 3 96 - 4 - 3.3/9722=1 HB2 ASP 110 - HD2 LYS 115 lone 2 81 - 3 - HB2 ASP 110 - HD2 LYS 65 lone 2 78 - 3 - HB2 ASP 110 - HD3 LYS 115 lone 2 79 - 3 - HB2 ASP 110 - HD3 LYS 65 lone 2 74 - 3 - HG3 GLN 62 - HD3 LYS 65 lone 2 85 - 2 - HG2 GLN 62 - HD3 LYS 65 lone 2 83 - 2 - HG2 GLU 66 - HD2 LYS 115 lone 2 90 - 2 - HG2 GLU 66 - HD3 LYS 115 lone 2 88 - 2 - 3.7/10461=1 HG3 GLN 62 - HD2 LYS 65 lone 2 90 - 2 - HG2 GLN 62 - HD2 LYS 65 lone 1 87 - 2 - HG2 GLN 122 - HD2 LYS 65 lone 1 98 - 1 - HG2 GLN 122 - HD3 LYS 65 lone 1 95 - 1 - HG3 GLN 62 - HD2 LYS 115 lone 1 92 - 1 - HG2 GLN 62 - HD2 LYS 115 lone 1 90 - 1 - HG3 GLN 62 - HD3 LYS 115 lone 1 90 - 1 - HG2 GLU 91 - HD2 LYS 115 lone 1 77 - 1 - HG2 GLN 62 - HD3 LYS 115 lone 1 88 - 1 - HG2 GLU 91 - HD3 LYS 65 lone 1 70 - 1 - HG2 GLU 91 - HD3 LYS 115 lone 1 75 - 1 - HG2 GLU 91 - HD2 LYS 65 lone 1 75 - 1 - HG2 GLN 122 - HD2 LYS 115 lone 1 99 - 1 - HG2 GLN 122 - HD3 LYS 115 lone 1 98 - 1 - HG2 GLN 25 - HD2 LYS 115 lone 1 61 - 1 - HG2 GLN 25 - HD2 LYS 65 lone 1 59 - 1 - HG2 GLN 25 - HD3 LYS 115 lone 1 60 - 1 - HG2 GLN 25 - HD3 LYS 65 lone 0 55 - 1 - Peak 11469 from cnoeabs.peaks (2.94, 2.12, 28.96 ppm; 6.04 A): 0 out of 32 assignments used, low quality = 0.24: HE2 LYS 106 - HB2 GLU 91 OK 14 67 - 20 - 10077/4.0=12, ~11540=6 HE3 LYS 106 - HB2 GLU 91 OK 13 64 - 20 - 10077/4.0=12, ~11540=6 HE2 LYS 96 - HB2 GLU 91 poor 9 83 - 11 - 10077/4.0=3, ~11662=1 HE3 LYS 96 - HB2 GLU 91 poor 9 83 - 11 - 10077/4.0=3, ~11662=1 HE3 LYS 44 - HB2 GLU 91 lone 6 83 - 7 - 10077/4.0=2 HE2 LYS 44 - HB2 GLU 91 lone 6 83 - 7 - 10077/4.0=2 HB2 ASP 86 - HB2 GLU 91 lone 4 76 - 6 - 10077/4.0=2 HB2 ASP 86 - HB3 GLU 92 lone 3 68 - 5 - ~10048=1 HD3 ARG 30 - HB2 GLU 91 lone 3 87 - 3 - 10077/4.0=1 HE2 LYS 44 - HB3 GLU 92 lone 3 75 - 3 - HE3 LYS 44 - HB3 GLU 92 lone 3 75 - 3 - HE2 LYS 96 - HB3 GLU 92 lone 2 75 - 3 - HE3 LYS 96 - HB3 GLU 92 lone 2 75 - 3 - HE2 LYS 106 - HB2 GLU 119 lone 2 81 - 3 - HE2 LYS 96 - HB2 GLU 119 lone 2 96 - 2 - HE3 LYS 96 - HB2 GLU 119 lone 2 96 - 2 - HE2 LYS 44 - HB2 GLU 119 lone 2 96 - 2 - HE3 LYS 44 - HB2 GLU 119 lone 2 96 - 2 - HE2 LYS 44 - HB3 GLU 119 lone 2 94 - 2 - HE3 LYS 44 - HB3 GLU 119 lone 2 94 - 2 - HE3 LYS 96 - HB3 GLU 119 lone 2 94 - 2 - HE2 LYS 96 - HB3 GLU 119 lone 2 94 - 2 - HE2 LYS 106 - HB3 GLU 119 lone 2 79 - 3 - HE3 LYS 106 - HB2 GLU 119 lone 2 77 - 3 - HD3 ARG 30 - HB2 GLU 119 lone 2 99 - 2 - HE3 LYS 106 - HB3 GLU 119 lone 2 75 - 3 - HD3 ARG 30 - HB3 GLU 119 lone 2 98 - 2 - HB2 ASP 86 - HB2 GLU 119 lone 2 90 - 2 - HB2 ASP 86 - HB3 GLU 119 lone 2 88 - 2 - HD3 ARG 30 - HB3 GLU 92 lone 2 79 - 2 - HE2 LYS 106 - HB3 GLU 92 lone 1 60 - 2 - HE3 LYS 106 - HB3 GLU 92 lone 1 57 - 2 - Peak 11470 from cnoeabs.peaks (1.84, 4.02, 56.87 ppm; 4.77 A): 3 out of 8 assignments used, quality = 0.71: HD2 LYS 123 + HA PHE 120 OK 48 100 - 48 - 11212/3.7=15...(6) QE MET 121 + HA PHE 120 OK 32 81 - 40 - 7020/3.6=22, 10581/3.7=7...(6) HB2 ARG 105 + HA PHE 120 OK 18 84 - 22 - 4704/3.7=12, 11414/5.6=7 HG LEU 70 - HA PHE 120 lone 3 99 - 3 - HB3 LYS 77 - HA PHE 120 lone 3 100 - 3 - 4704/3.7=1 HB2 LYS 77 - HA PHE 120 lone 3 100 - 3 - 4704/3.7=1 HG LEU 127 - HA PHE 120 lone 3 81 - 3 - HB3 LYS 19 - HA PHE 120 lone 2 92 - 2 - Peak 11471 from cnoeabs.peaks (1.36, 1.01, 25.52 ppm; 4.66 A): 1 out of 9 assignments used, quality = 0.78: HG2 LYS 77 + QD1 LEU 127 OK 78 96 - 81 - 11287=29, 1.8/11289=26...(12) HB3 LEU 68 - QD1 LEU 127 lone 6 65 - 9 - 4656/10830=4, 2.9/9758=2 HB3 LEU 81 - QD1 LEU 127 lone 4 97 - 4 - 11472/2.1=1 HG2 LYS 94 - QD1 LEU 127 lone 3 98 - 3 - HG3 LYS 43 - QD1 LEU 127 lone 2 97 - 2 - HG LEU 81 - QD1 LEU 127 lone 2 70 - 3 - HG LEU 14 - QD1 LEU 127 lone 1 77 - 2 - HG2 LYS 40 - QD1 LEU 127 lone 1 73 - 2 - HG3 LYS 65 - QD1 LEU 127 lone 1 61 - 2 - Peak 11472 from cnoeabs.peaks (1.36, 0.93, 22.96 ppm; 5.10 A): 1 out of 9 assignments used, quality = 0.73: HG2 LYS 77 + QD2 LEU 127 OK 73 96 - 76 - 11471/2.1=34, 11288=22...(11) HB3 LEU 68 - QD2 LEU 127 lone 6 65 - 9 - 11471/2.1=3...(3) HB3 LEU 81 - QD2 LEU 127 lone 4 97 - 4 - 11471/2.1=2 HG2 LYS 94 - QD2 LEU 127 lone 3 98 - 3 - 11471/2.1=1 HG3 LYS 43 - QD2 LEU 127 lone 2 97 - 2 - HG LEU 81 - QD2 LEU 127 lone 2 70 - 3 - HG LEU 14 - QD2 LEU 127 lone 2 77 - 2 - HG2 LYS 40 - QD2 LEU 127 lone 2 73 - 2 - HG3 LYS 65 - QD2 LEU 127 lone 2 61 - 2 - Peak 11473 from cnoeabs.peaks (0.78, 1.99, 33.06 ppm; 4.29 A): 5 out of 10 assignments used, quality = 0.85: QD2 LEU 14 + HB2 LYS 17 OK 58 87 - 67 - 4.0/7977=19...(10) QD1 LEU 82 + HB2 LYS 17 OK 24 100 - 25 - 11475/1.8=10, ~11395=5...(5) QD1 LEU 80 + HB2 LYS 17 OK 23 100 - 23 - 11475/1.8=10, ~11475=8...(7) QD2 LEU 80 + HB2 LYS 17 OK 23 100 - 23 - 11475/1.8=10, ~11475=8...(7) QD1 ILE 15 + HB2 LYS 17 OK 17 90 - 19 - 11477/3.7=5, 3.0/11474=5...(5) QD1 ILE 7 - HB2 LYS 17 lone 5 96 - 5 - 11475/1.8=2 QG1 VAL 107 - HB2 LYS 17 lone 4 87 - 4 - ~11459=1 QD2 LEU 64 - HB2 LYS 17 lone 4 96 - 4 - 11475/1.8=2 QD1 LEU 81 - HB2 LYS 17 lone 3 81 - 3 - 11475/1.8=3 QG2 VAL 32 - HB2 LYS 17 lone 1 87 - 1 - Peak 11474 from cnoeabs.peaks (0.85, 1.99, 33.06 ppm; 4.40 A): 6 out of 9 assignments used, quality = 0.89: QD1 LEU 14 + HB2 LYS 17 OK 64 87 - 74 - 4.0/7977=20...(11) QG2 ILE 15 + HB2 LYS 17 OK 31 100 - 31 - 11480/3.7=9, 11476/1.8=8...(7) QG2 ILE 5 + HB2 LYS 17 OK 26 98 - 27 - 11476/1.8=6, 11480/3.7=5...(9) HG13 ILE 5 + HB2 LYS 17 OK 24 100 - 24 - 11476/1.8=6, 11480/3.7=4...(7) QG2 VAL 22 + HB2 LYS 17 OK 13 97 - 13 - 9185/4.6=4, 11476/1.8=3...(4) QG2 ILE 57 + HB2 LYS 17 OK 10 97 - 10 - 11476/1.8=2, 9185/4.6=2...(5) HG13 ILE 57 - HB2 LYS 17 lone 7 87 - 8 - 11476/1.8=2, ~9556=2...(4) QG2 THR 9 - HB2 LYS 17 lone 5 73 - 7 - 2641/7977=1, 9185/4.6=1 QG2 VAL 117 - HB2 LYS 17 lone 4 65 - 6 - 9185/4.6=3, 11476/1.8=1 Peak 11475 from cnoeabs.peaks (0.78, 1.92, 33.06 ppm; 3.87 A): 0 out of 7 assignments used, low quality = 0.36: QD1 LEU 82 - HB3 LYS 17 OK 14 98 - 14 - 11473/1.8=4, ~11395=4...(5) QD2 LEU 80 - HB3 LYS 17 OK 14 96 - 14 - 11473/1.8=4, ~11473=3...(4) QD1 LEU 80 - HB3 LYS 17 OK 13 94 - 14 - 11473/1.8=4, ~11473=3...(4) QD1 LEU 81 - HB3 LYS 17 lone 4 99 - 4 - 4.8/1536=2 QD1 ILE 7 - HB3 LYS 17 lone 3 70 - 4 - 4.1/11616=1 QD2 LEU 64 - HB3 LYS 17 lone 3 100 - 2 - QG1 VAL 29 - HB3 LYS 17 lone 0 73 - 1 - Peak 11476 from cnoeabs.peaks (0.85, 1.92, 33.06 ppm; 4.00 A): 5 out of 9 assignments used, quality = 0.83: QD1 LEU 14 + HB3 LYS 17 OK 57 87 - 65 - 11676/3.0=16...(12) QG2 ILE 15 + HB3 LYS 17 OK 30 100 - 30 - 11480/3.7=7, 11478/3.7=6...(8) HG13 ILE 5 + HB3 LYS 17 OK 22 100 - 22 - 11474/1.8=4, 11480/3.7=4...(8) QG2 ILE 5 + HB3 LYS 17 OK 22 98 - 22 - 11474/1.8=5, 11480/3.7=4...(9) QG2 VAL 22 + HB3 LYS 17 OK 10 97 - 10 - 9185/4.6=3, 11474/1.8=2...(4) QG2 ILE 57 - HB3 LYS 17 lone 9 97 - 9 - 11474/1.8=2, 3.0/9556=2...(4) HG13 ILE 57 - HB3 LYS 17 lone 7 87 - 7 - 2.1/9556=2, 11474/1.8=1 QG2 THR 9 - HB3 LYS 17 lone 4 73 - 6 - 9185/4.6=1 QG2 VAL 117 - HB3 LYS 17 lone 4 65 - 6 - 9185/4.6=2 Peak 11477 from cnoeabs.peaks (0.77, 1.68, 29.70 ppm; 4.14 A): 5 out of 10 assignments used, quality = 0.85: QD2 LEU 14 + HD2 LYS 17 OK 60 99 - 61 - 11518/3.0=15...(8) QD1 ILE 15 + HD2 LYS 17 OK 32 100 - 33 - 3.0/11478=7, ~11480=7...(9) QD1 LEU 82 + HD2 LYS 17 OK 24 90 - 27 - 11479/1.8=5, ~11395=5...(8) QD1 LEU 80 + HD2 LYS 17 OK 14 96 - 14 - 11475/3.7=3, 11473/3.7=3...(5) QD2 LEU 80 + HD2 LYS 17 OK 13 94 - 14 - 11475/3.7=3, 11473/3.7=3...(5) QD1 ILE 7 - HD2 LYS 17 lone 5 100 - 5 - 11479/1.8=1 QD1 LEU 45 - HD2 LYS 17 lone 4 84 - 5 - ~9437=1, 2.1/11533=1 QG1 VAL 107 - HD2 LYS 17 lone 3 99 - 3 - QD2 LEU 64 - HD2 LYS 17 lone 2 73 - 3 - QG2 VAL 32 - HD2 LYS 17 lone 2 99 - 2 - Peak 11478 from cnoeabs.peaks (0.85, 1.68, 29.70 ppm; 3.96 A): 5 out of 9 assignments used, quality = 0.84: QD1 LEU 14 + HD2 LYS 17 OK 56 87 - 65 - 11676/3.0=15...(11) QG2 ILE 15 + HD2 LYS 17 OK 37 100 - 38 - 11480/1.8=10, 2.1/2863=6...(10) QG2 ILE 5 + HD2 LYS 17 OK 20 98 - 20 - 11480/1.8=6, 11476/3.7=3...(6) HG13 ILE 5 + HD2 LYS 17 OK 19 100 - 19 - 11480/1.8=5, 11476/3.7=3...(6) QG2 VAL 22 + HD2 LYS 17 OK 13 97 - 13 - 11480/1.8=3, 2.1/2862=3...(6) QG2 ILE 57 - HD2 LYS 17 lone 5 97 - 5 - 11480/1.8=2, 11476/3.7=1 HG13 ILE 57 - HD2 LYS 17 lone 3 87 - 4 - 11476/3.7=1 QG2 THR 9 - HD2 LYS 17 lone 3 73 - 5 - QG2 VAL 117 - HD2 LYS 17 lone 2 65 - 3 - Peak 11479 from cnoeabs.peaks (0.77, 1.52, 29.70 ppm; 4.65 A): 5 out of 10 assignments used, quality = 0.90: QD2 LEU 14 + HD3 LYS 17 OK 67 99 - 68 - 11477/1.8=17...(8) QD1 ILE 15 + HD3 LYS 17 OK 39 100 - 40 - 3.0/11480=12...(10) QD1 LEU 82 + HD3 LYS 17 OK 30 90 - 34 - 2.1/11480=7, 11477/1.8=7...(8) QD1 LEU 80 + HD3 LYS 17 OK 17 96 - 17 - 11475/3.7=4, 11473/3.7=4...(5) QD2 LEU 80 + HD3 LYS 17 OK 16 94 - 17 - 11475/3.7=4, 11473/3.7=4...(5) QD1 ILE 7 - HD3 LYS 17 lone 6 100 - 6 - 11477/1.8=1 QD1 LEU 45 - HD3 LYS 17 lone 5 84 - 6 - ~9437=1, 11477/1.8=1, ~11533=1 QG1 VAL 107 - HD3 LYS 17 lone 4 99 - 4 - QD2 LEU 64 - HD3 LYS 17 lone 3 73 - 4 - QG2 VAL 32 - HD3 LYS 17 lone 3 99 - 3 - Peak 11480 from cnoeabs.peaks (0.84, 1.52, 29.70 ppm; 4.18 A): 4 out of 6 assignments used, quality = 0.65: QG2 ILE 15 + HD3 LYS 17 OK 35 96 - 37 - 11478/1.8=9, 3.0/11479=5...(10) QG2 ILE 5 + HD3 LYS 17 OK 20 100 - 20 - 11478/1.8=5, 11476/3.7=3...(7) QD2 LEU 82 + HD3 LYS 17 OK 18 81 - 22 - 11395/3.0=6, 2.1/11479=5...(6) HG13 ILE 5 + HD3 LYS 17 OK 17 97 - 18 - 11478/1.8=4, 11476/3.7=3...(6) QG2 VAL 22 - HD3 LYS 17 poor 10 77 - 13 - 11478/1.8=3, ~2862=2...(6) QG2 ILE 57 - HD3 LYS 17 lone 6 100 - 6 - 11476/3.7=1, 11478/1.8=1 Peak 11481 from cnoeabs.peaks (0.64, 1.78, 30.45 ppm; 4.59 A): 4 out of 6 assignments used, quality = 0.69: QD1 ILE 54 + HB3 GLN 28 OK 53 100 - 53 - 3.1/11484=15...(8) QD1 ILE 5 + HB3 GLN 28 OK 18 90 - 20 - 4.2/9233=4, 11486/3.0=4...(7) QD1 LEU 4 + HB3 GLN 28 OK 10 97 - 11 - 9237/4.0=3, 4389/11484=2...(4) QG1 VAL 22 + HB3 GLN 28 OK 10 100 - 10 - 9237/4.0=6, 11483/3.0=1 HG13 ILE 15 - HB3 GLN 28 lone 6 100 - 6 - 9237/4.0=2, 2.1/11484=2 QD1 ILE 71 - HB3 GLN 28 lone 2 61 - 3 - Peak 11482 from cnoeabs.peaks (0.65, 2.20, 33.72 ppm; 5.32 A): 6 out of 14 assignments used, quality = 0.86: QD1 ILE 71 + HB2 MET 67 OK 57 63 - 91 - 9781/3.0=33, 9782/3.0=33...(12) QD1 ILE 56 + HB2 MET 67 OK 31 55 - 57 - 9720/3.0=14, ~9717=13...(7) QD1 ILE 54 + HG3 GLN 28 OK 31 70 - 45 - 11483/1.8=17, ~11484=11...(6) QD1 LEU 4 + HB2 MET 67 OK 15 53 - 29 - 10736/4.3=10, ~9709=8...(6) QD1 LEU 4 + HG3 GLN 28 OK 11 92 - 11 - 11483/1.8=5, 9237/5.2=3 QG1 VAL 22 + HG3 GLN 28 OK 11 81 - 13 - 9237/5.2=6, 11483/1.8=5 QD1 ILE 71 - HG3 GLN 28 lone 7 100 - 7 - 11483/1.8=3, 9780=2 QD1 ILE 54 - HB2 MET 67 poor 6 37 - 17 - ~9707=7, 9703/3.0=5...(5) HG13 ILE 15 - HG3 GLN 28 lone 6 73 - 8 - 11483/1.8=3, 9237/5.2=2...(4) QD2 LEU 114 - HG3 GLN 28 lone 4 65 - 6 - 11483/1.8=2, 11629/3.0=1 HG13 ILE 15 - HB2 MET 67 lone 4 39 - 10 - ~9708=3, ~9715=2...(5) QG1 VAL 22 - HB2 MET 67 lone 3 44 - 6 - 10855/3.0=3 QD1 ILE 56 - HG3 GLN 28 lone 3 94 - 3 - 11483/1.8=1 QD2 LEU 114 - HB2 MET 67 lone 1 34 - 4 - 9720/3.0=1 Peak 11483 from cnoeabs.peaks (0.65, 2.24, 33.72 ppm; 5.75 A): 3 out of 7 assignments used, quality = 0.48: QD1 ILE 54 + HG2 GLN 28 OK 35 70 - 51 - 11486=15, ~11484=13...(7) QD1 LEU 4 + HG2 GLN 28 OK 10 92 - 11 - 9237/5.2=3, 11482/1.8=3...(4) QG1 VAL 22 + HG2 GLN 28 OK 10 81 - 12 - 9237/5.2=6, 11482/1.8=3 HG13 ILE 15 - HG2 GLN 28 lone 6 73 - 8 - 9237/5.2=2, 11482/1.8=1...(4) QD1 ILE 71 - HG2 GLN 28 lone 5 100 - 5 - 9780/1.8=2 QD2 LEU 114 - HG2 GLN 28 lone 4 65 - 6 - 11629/3.0=1 QD1 ILE 56 - HG2 GLN 28 lone 2 94 - 3 - Peak 11484 from cnoeabs.peaks (0.75, 1.78, 30.45 ppm; 4.50 A): 2 out of 11 assignments used, quality = 0.66: QG2 ILE 54 + HB3 GLN 28 OK 55 100 - 56 - 9494/4.0=17, 3.2/9233=17...(9) QG2 VAL 32 + HB3 GLN 28 OK 23 81 - 29 - ~9299=15, ~9240=8...(5) QD2 LEU 55 - HB3 GLN 28 poor 9 84 - 11 - 9527/4.6=5, 9236/4.0=5 QG1 VAL 107 - HB3 GLN 28 lone 6 81 - 8 - 2.1/11460=4, ~9240=2 QG2 ILE 7 - HB3 GLN 28 lone 6 99 - 6 - 11076=2, 3.3/9075=2, ~9076=1 QD1 ILE 15 - HB3 GLN 28 lone 5 77 - 6 - 2.1/11481=2, ~11483=1 QD1 ILE 7 - HB3 GLN 28 lone 3 65 - 5 - 9075=1, 3.3/11076=1, 9076/1.8=1 QD1 LEU 63 - HB3 GLN 28 lone 3 96 - 3 - QD2 LEU 6 - HB3 GLN 28 lone 3 81 - 3 - QD2 LEU 14 - HB3 GLN 28 lone 1 81 - 2 - QD1 LEU 45 - HB3 GLN 28 lone 1 99 - 1 - Peak 11485 from cnoeabs.peaks (4.97, 0.87, 21.73 ppm; 5.63 A): 2 out of 2 assignments used, quality = 0.95: HA ASN 33 + QG1 VAL 32 OK 94 100 - 94 - 2.9/7447=46, 3.6/9319=32...(10) HA ASN 10 + QG1 VAL 32 OK 10 96 - 10 - 9284/3.2=3, ~9129=2...(4) Peak 11486 from cnoeabs.peaks (2.23, 0.64, 13.41 ppm; 5.19 A): 3 out of 10 assignments used, quality = 0.59: HG2 GLN 28 + QD1 ILE 54 OK 47 92 - 52 - 3.0/11481=21, ~11484=10...(8) HG2 GLN 28 + QD1 ILE 5 OK 13 66 - 19 - 3.0/11481=7, 5.2/9237=4...(6) HB2 GLN 83 + QD1 ILE 54 OK 11 70 - 15 - ~10013=4, ~10011=3...(6) HB2 GLN 100 - QD1 ILE 54 lone 3 61 - 5 - 4686/9484=2 HB2 GLN 83 - QD1 ILE 5 lone 3 47 - 5 - HB2 GLN 100 - QD1 ILE 5 lone 2 41 - 6 - 4686/9484=1 HB3 GLN 122 - QD1 ILE 54 lone 2 87 - 2 - HB2 GLN 122 - QD1 ILE 54 lone 2 87 - 2 - HB2 GLN 122 - QD1 ILE 5 lone 1 62 - 2 - HB3 GLN 122 - QD1 ILE 5 lone 1 62 - 2 - Peak 11487 from cnoeabs.peaks (1.81, 0.74, 26.63 ppm; 4.22 A): 3 out of 9 assignments used, quality = 0.71: HG12 ILE 5 + QD2 LEU 55 OK 47 100 - 47 - ~10939=12, 1.8/11138=8...(10) HB ILE 57 + QD2 LEU 55 OK 33 84 - 40 - 2.9/11136=14, 4.0/9528=8...(9) HB ILE 18 + QD2 LEU 55 OK 17 90 - 19 - 4.5/9528=7, 3.9/9527=4...(6) HB ILE 3 - QD2 LEU 55 lone 4 99 - 5 - 4.4/10665=2, 4582/9522=1 HG2 ARG 105 - QD2 LEU 55 lone 4 99 - 4 - 11016/2.1=1, ~11512=1 HB3 ARG 105 - QD2 LEU 55 lone 3 98 - 3 - ~11015=1 HB2 LEU 14 - QD2 LEU 55 lone 3 84 - 4 - HB ILE 97 - QD2 LEU 55 lone 3 100 - 3 - HB2 ARG 118 - QD2 LEU 55 lone 2 90 - 2 - Peak 11488 from cnoeabs.peaks (1.78, 0.74, 25.21 ppm; 3.92 A): 3 out of 21 assignments used, quality = 0.63: HB VAL 32 + QD1 LEU 63 OK 35 100 - 35 - 10791/2.1=14, ~10931=8...(9) HB2 LEU 64 + QD1 LEU 63 OK 31 84 - 37 - 3.6/390=14, ~9680=6...(9) HB2 LEU 64 + QD2 LEU 6 OK 19 64 - 30 - 10964/2.1=5, 3.6/390=4...(10) HB2 LEU 55 - QD2 LEU 6 poor 9 58 - 15 - 4.6/11559=9, 3.0/4417=3...(4) HB VAL 32 - QD2 LEU 6 lone 6 84 - 7 - 11681/11558=1, ~10954=1 HB2 LEU 55 - QD1 LEU 63 lone 5 77 - 6 - 4.6/11559=3, 3.0/4417=1 HB2 LEU 90 - QD1 LEU 63 lone 5 100 - 5 - HG12 ILE 18 - QD2 LEU 6 lone 3 69 - 5 - ~11567=2, ~11566=1 HB2 LYS 19 - QD1 LEU 63 lone 3 87 - 3 - HB3 GLN 28 - QD1 LEU 63 lone 2 97 - 2 - HB3 GLN 28 - QD2 LEU 6 lone 2 78 - 2 - HG12 ILE 18 - QD1 LEU 63 lone 2 90 - 2 - HB2 LEU 90 - QD2 LEU 6 lone 1 84 - 1 - HB2 LEU 64 - QD1 LEU 45 lone 1 25 - 5 - 3.6/390=2 HB2 LYS 19 - QD2 LEU 6 lone 1 67 - 1 - HB VAL 32 - QD1 LEU 45 lone 1 36 - 2 - HB3 GLN 28 - QD1 LEU 45 lone 0 32 - 1 - HB2 LEU 55 - QD1 LEU 45 lone 0 23 - 1 - HB2 LEU 90 - QD1 LEU 45 lone 0 36 - 1 - HB2 LYS 19 - QD1 LEU 45 lone 0 27 - 1 - HG12 ILE 18 - QD1 LEU 45 lone 0 28 - 1 - Peak 11489 from cnoeabs.peaks (2.44, 0.38, 23.07 ppm; 6.20 A): 2 out of 7 assignments used, quality = 0.53: HG3 GLU 69 + QD2 LEU 68 OK 35 99 - 35 - 5021/4.9=27, ~11642=7, ~11127=2 HG2 GLN 100 + QD2 LEU 68 OK 28 100 - 28 - 3.5/10825=18, 6269/4.9=7 HG2 GLU 37 - QD2 LEU 68 lone 5 100 - 5 - 1457/4.9=3 HG2 MET 1 - QD2 LEU 68 lone 5 87 - 5 - 10717/9748=1 HG3 GLU 98 - QD2 LEU 68 lone 4 99 - 4 - 1457/4.9=1 HG3 GLU 41 - QD2 LEU 68 lone 3 65 - 4 - HG3 GLU 119 - QD2 LEU 68 lone 1 65 - 2 - Peak 11490 from cnoeabs.peaks (1.35, 0.74, 16.61 ppm; 4.26 A): 2 out of 6 assignments used, quality = 0.98: HB3 LEU 81 + QG2 ILE 7 OK 88 99 - 89 - 1.8/11619=23...(19) HG LEU 81 + QG2 ILE 7 OK 84 99 - 85 - 3.0/11619=19, 11638=17...(19) HG3 LYS 65 - QG2 ILE 7 lone 3 97 - 3 - 10805/3.3=1 HG2 LYS 94 - QG2 ILE 7 lone 1 65 - 2 - HG2 LYS 77 - QG2 ILE 7 lone 1 99 - 1 - HG3 LYS 43 - QG2 ILE 7 lone 1 61 - 1 - Peak 11491 from cnoeabs.peaks (3.62, 0.78, 26.01 ppm; 4.48 A): 1 out of 1 assignment used, quality = 0.65: HA LYS 94 + QD1 LEU 82 OK 65 100 - 65 - 10102=18, 4.0/11394=15...(10) Peak 11492 from cnoeabs.peaks (3.27, 0.82, 23.86 ppm; 6.04 A): 0 out of 1 assignment used, low quality = 0.22: HA VAL 117 - QD2 LEU 82 OK 22 77 - 28 - ~11392=6, ~10521=4...(11) Peak 11493 from cnoeabs.peaks (4.04, 0.90, 24.86 ppm; 3.83 A): 2 out of 13 assignments used, quality = 0.71: HA GLU 87 + QD1 LEU 90 OK 68 96 - 71 - 8165/3.1=23, 8167/3.1=21...(11) HA SER 35 + QD1 LEU 90 OK 10 100 - 10 - 9337/2.1=4, ~10798=1...(5) HA GLU 66 - QD1 LEU 90 poor 9 70 - 13 - ~9696=3, ~11062=2...(6) HA GLU 92 - QD1 LEU 90 lone 5 90 - 6 - 2135/4.4=2, 8166/3.1=2 HA GLU 37 - QD1 LEU 90 lone 5 73 - 6 - 3.6/11577=4, ~9359=1 HA GLU 119 - QD1 LEU 90 lone 4 73 - 5 - 8168/3.1=1, 8166/3.1=1 HB3 SER 126 - QD1 LEU 90 lone 2 84 - 2 - HA LYS 123 - QD1 LEU 90 lone 2 65 - 3 - HA GLU 69 - QD1 LEU 90 lone 2 87 - 2 - HA2 GLY 125 - QD1 LEU 90 lone 1 94 - 1 - HA GLU 13 - QD1 LEU 90 lone 1 70 - 1 - HA3 GLY 125 - QD1 LEU 90 lone 1 57 - 1 - HA LYS 44 - QD1 LEU 90 lone 0 65 - 1 - Peak 11494 from cnoeabs.peaks (3.21, 4.03, 59.25 ppm; 5.24 A): 6 out of 20 assignments used, quality = 0.89: HB2 PHE 120 + HA LYS 123 OK 39 88 - 44 - ~8296=16, ~8297=7...(11) HD2 ARG 95 + HA GLU 92 OK 34 90 - 39 - 3.9/8202=14, 5.9/8199=9...(6) HD3 ARG 95 + HA GLU 92 OK 33 87 - 39 - 3.9/8202=14, 5.9/8199=9...(6) HD2 ARG 95 + HA GLU 66 OK 27 72 - 37 - 3.9/8202=10, 5.9/8199=6...(10) HD3 ARG 95 + HA GLU 66 OK 26 70 - 37 - 3.9/8202=10, 5.9/8199=6...(10) HB2 PHE 120 + HA GLU 119 OK 23 53 - 43 - 1787/3.6=33, 2.4/4558=7...(5) HD2 ARG 95 - HA LYS 123 poor 9 79 - 11 - 3.9/8202=2, 5.9/8199=2...(5) HB2 PHE 120 - HA GLU 66 poor 9 81 - 11 - ~11059=3, ~10572=2...(4) HD3 ARG 95 - HA LYS 123 poor 9 76 - 11 - 3.9/8202=2, 5.9/8199=2...(5) HA ILE 15 - HA GLU 13 poor 6 58 - 11 - 3.6/1983=6, 3.2/10984=3 HA ILE 15 - HA GLU 119 poor 5 52 - 10 - 1787/3.6=6, 3.6/1983=2 HB2 PHE 120 - HA GLU 92 lone 5 97 - 5 - HA ILE 15 - HA LYS 123 lone 5 86 - 5 - 3.6/1983=2 HD2 ARG 95 - HA GLU 119 lone 4 47 - 9 - 3.9/8203=1, 1.8/10108=1...(4) HD3 ARG 95 - HA GLU 119 lone 4 45 - 9 - 3.9/8203=1, 1.8/10108=1...(4) HD2 ARG 95 - HA GLU 13 lone 3 52 - 7 - 3.9/8203=1, 5.9/2159=1 HD3 ARG 95 - HA GLU 13 lone 3 50 - 7 - 3.9/8203=1, 5.9/2159=1 HB2 PHE 120 - HA GLU 13 lone 3 59 - 5 - ~4702=1 HA ILE 15 - HA GLU 66 lone 3 79 - 4 - 3.6/1983=1 HA ILE 15 - HA GLU 92 lone 2 96 - 3 - Peak 11495 from cnoeabs.peaks (1.44, 1.00, 27.27 ppm; 5.31 A): 3 out of 12 assignments used, quality = 0.86: HG LEU 80 + HG12 ILE 97 OK 75 99 - 75 - ~9924=37, ~9923=23...(9) HG2 LYS 96 + HG12 ILE 97 OK 35 100 - 35 - 5.0/1649=23, ~10129=5...(5) HB3 GLN 83 + HG12 ILE 97 OK 16 70 - 23 - 4.4/10144=12, 4.4/10144=11 HG3 LYS 44 - HG12 ILE 97 lone 7 100 - 7 - 7798/4.8=4 HG3 LYS 17 - HG12 ILE 97 lone 7 96 - 7 - 10130/2.1=1, ~10917=1 HG3 ARG 30 - HG12 ILE 97 lone 6 77 - 8 - ~9256=2, ~10128=1...(4) HB3 LEU 4 - HG12 ILE 97 lone 5 100 - 5 - ~10130=2, 10130/2.1=2 HB2 LEU 4 - HG12 ILE 97 lone 5 100 - 5 - ~10130=2, 10130/2.1=2 HB3 LEU 63 - HG12 ILE 97 lone 3 90 - 4 - HG12 ILE 56 - HG12 ILE 97 lone 3 92 - 3 - 10130/2.1=1 HG LEU 4 - HG12 ILE 97 lone 3 81 - 3 - ~10130=2 HB3 LYS 61 - HG12 ILE 97 lone 2 99 - 2 - Peak 11496 from cnoeabs.peaks (0.51, 0.68, 18.75 ppm; 3.79 A): 1 out of 1 assignment used, quality = 0.55: QD1 LEU 68 + QG2 ILE 97 OK 55 100 - 55 - 11641/3.0=32...(9) Peak 11497 from cnoeabs.peaks (1.05, 0.96, 28.80 ppm; 3.76 A): 2 out of 2 assignments used, quality = 0.92: HG3 LYS 2 + HD3 LYS 2 OK 73 73 - 100 - 2.9=100 HG2 LYS 2 + HD3 LYS 2 OK 69 69 - 100 - 2.9=100 Peak 11498 from cnoeabs.peaks (1.03, 1.07, 25.52 ppm; 2.92 A): 1 out of 1 assignment used, quality = 1.00: HG3 LYS 2 + HG2 LYS 2 OK 100 100 - 100 - 1.8=100 Peak 11499 from cnoeabs.peaks (0.97, 1.07, 25.52 ppm; 3.29 A): 1 out of 1 assignment used, quality = 0.96: HD3 LYS 2 + HG2 LYS 2 OK 96 96 - 100 - 2.9=100 Peak 11500 from cnoeabs.peaks (0.97, 1.03, 25.52 ppm; 2.81 A): 1 out of 5 assignments used, quality = 0.83: HD3 LYS 2 + HG3 LYS 2 OK 83 96 - 87 - 2.9=87 QD1 ILE 3 - HG3 LYS 2 lone 1 100 - 1 - QD1 LEU 38 - HG3 LYS 2 lone 1 98 - 1 - HG13 ILE 56 - HG3 LYS 2 lone 1 92 - 1 - HG13 ILE 116 - HG3 LYS 2 lone 0 100 - 0 - Peak 11501 from cnoeabs.peaks (1.26, 1.03, 25.52 ppm; 4.27 A): 1 out of 1 assignment used, quality = 1.00: HD2 LYS 2 + HG3 LYS 2 OK 100 100 - 100 - 2.9=100 Peak 11502 from cnoeabs.peaks (1.25, 1.07, 25.52 ppm; 4.36 A): 1 out of 1 assignment used, quality = 0.97: HD2 LYS 2 + HG2 LYS 2 OK 97 97 - 100 - 2.9=100 Peak 11503 from cnoeabs.peaks (1.05, 1.26, 28.80 ppm; 3.46 A): 2 out of 2 assignments used, quality = 0.92: HG3 LYS 2 + HD2 LYS 2 OK 73 73 - 100 - 2.9=100 HG2 LYS 2 + HD2 LYS 2 OK 70 70 - 100 - 2.9=100 Peak 11504 from cnoeabs.peaks (0.74, 2.76, 42.47 ppm; 4.48 A): 2 out of 10 assignments used, quality = 0.60: QD2 LEU 45 + HE2 LYS 2 OK 38 81 - 48 - 9437/1.8=22...(6) QD1 LEU 45 + HE2 LYS 2 OK 35 77 - 45 - ~9437=21, 2.1/11222=11...(6) QG2 ILE 54 - HE2 LYS 2 lone 7 97 - 7 - 11708/3.0=3, 9470/3.0=2, ~9469=1 QD1 LEU 63 - HE2 LYS 2 lone 7 100 - 7 - 3.1/11222=2, 9470/3.0=1 QG2 VAL 78 - HE2 LYS 2 lone 2 81 - 3 - QD2 LEU 55 - HE2 LYS 2 lone 2 100 - 2 - QG2 ILE 7 - HE2 LYS 2 lone 2 99 - 2 - QD2 LEU 6 - HE2 LYS 2 lone 1 99 - 1 - HG13 ILE 18 - HE2 LYS 2 lone 1 92 - 1 - QG1 VAL 117 - HE2 LYS 2 lone 1 65 - 1 - Peak 11506 from cnoeabs.peaks (0.74, 6.71, 118.26 ppm; 4.02 A): 8 out of 20 assignments used, quality = 0.94: QG2 VAL 78 + QE TYR 102 OK 53 78 - 68 - ~4694=14, 9875/2.2=14...(11) QD2 LEU 45 + QE TYR 76 OK 47 62 - 76 - 2.1/9445=16, ~9446=16...(13) QD1 LEU 45 + QE TYR 76 OK 42 59 - 72 - 2.1/9450=17, 9446/2.2=15...(11) QG2 VAL 78 + QE TYR 76 OK 28 62 - 45 - 9874/2.2=17, 9873=9...(7) QG2 ILE 54 + QE TYR 102 OK 22 95 - 23 - 3.2/4626=6, 9492=4...(7) QD2 LEU 55 + QE TYR 102 OK 12 99 - 12 - 2.1/4630=2, ~4693=2...(5) QD2 LEU 6 + QE TYR 102 OK 10 98 - 11 - 11343/4633=7, 3.1/4623=1 QD1 LEU 63 + QE TYR 102 OK 10 99 - 10 - 11343/4633=3, 4.0/4606=2 QG2 ILE 54 - QE TYR 76 poor 9 79 - 11 - 3.2/4626=2, 4389/9038=2...(4) QD2 LEU 45 - QE TYR 102 poor 9 78 - 11 - 2.1/9445=2, 9450=2...(4) QG2 ILE 7 - QE TYR 102 lone 8 97 - 8 - 3.2/4626=2, 11582/9878=2...(4) QD1 LEU 45 - QE TYR 102 poor 8 75 - 10 - 2.1/9450=2, 9445=2...(4) QG2 ILE 7 - QE TYR 76 lone 7 82 - 9 - 3.2/4626=2, 11582/9878=1 QD1 LEU 63 - QE TYR 76 lone 5 85 - 6 - QD2 LEU 6 - QE TYR 76 lone 5 83 - 6 - 11343/4633=2 QD2 LEU 55 - QE TYR 76 lone 4 84 - 4 - HG13 ILE 18 - QE TYR 102 lone 3 90 - 3 - HG13 ILE 18 - QE TYR 76 lone 2 73 - 2 - QG1 VAL 117 - QE TYR 102 lone 2 63 - 2 - QG1 VAL 117 - QE TYR 76 lone 1 49 - 1 - Peak 11507 from cnoeabs.peaks (1.81, 0.93, 20.69 ppm; 4.06 A): 3 out of 9 assignments used, quality = 0.93: HB ILE 97 + QG1 VAL 104 OK 76 100 - 76 - 3.2/10229=24...(12) HB3 ARG 105 + QG1 VAL 104 OK 46 97 - 48 - 4.1/666=24, 3.0/10241=13...(6) HG2 ARG 105 + QG1 VAL 104 OK 43 99 - 43 - 4.9/666=18, 4.0/10241=11...(6) HB ILE 57 - QG1 VAL 104 lone 4 81 - 5 - 11508/2.1=1, 9569/3.2=1 HG12 ILE 5 - QG1 VAL 104 lone 3 100 - 3 - HB ILE 3 - QG1 VAL 104 lone 3 100 - 3 - HB ILE 18 - QG1 VAL 104 lone 2 87 - 2 - HB2 LEU 14 - QG1 VAL 104 lone 1 81 - 2 - HB2 ARG 118 - QG1 VAL 104 lone 1 92 - 1 - Peak 11508 from cnoeabs.peaks (1.81, 0.88, 22.01 ppm; 3.47 A): 3 out of 20 assignments used, quality = 0.76: HB ILE 97 + QG2 VAL 104 OK 54 98 - 55 - 11507/2.1=11, ~10229=10...(11) HB3 ARG 105 + QG2 VAL 104 OK 32 100 - 32 - 4.1/667=15, 11507/2.1=7...(7) HG2 ARG 105 + QG2 VAL 104 OK 22 94 - 24 - 4.9/667=11, 11507/2.1=6...(5) HB ILE 57 - QG2 VAL 29 poor 8 55 - 14 - ~9566=4, 9568/3.2=4...(4) HB ILE 57 - QG2 VAL 104 lone 3 94 - 3 - HB ILE 3 - QG2 VAL 104 lone 2 96 - 2 - HG12 ILE 5 - QG2 VAL 104 lone 2 97 - 2 - HB ILE 18 - QG2 VAL 29 lone 2 58 - 3 - HB ILE 97 - QG2 VAL 29 lone 1 60 - 2 - HB ILE 18 - QG2 VAL 104 lone 1 97 - 1 - HB3 ARG 105 - QG2 VAL 29 lone 1 63 - 2 - HG2 ARG 105 - QG2 VAL 29 lone 1 55 - 2 - HB ILE 3 - QG2 VAL 29 lone 1 57 - 2 - HB2 LEU 14 - QG2 VAL 104 lone 1 94 - 1 - HB2 ARG 118 - QG2 VAL 104 lone 1 77 - 1 - HG12 ILE 5 - QG2 VAL 29 lone 0 58 - 1 - QE MET 121 - QG2 VAL 104 lone 0 73 - 0 - HB2 LEU 14 - QG2 VAL 29 lone 0 55 - 0 - HB2 ARG 118 - QG2 VAL 29 lone 0 42 - 0 - QE MET 121 - QG2 VAL 29 lone 0 40 - 0 - Peak 11509 from cnoeabs.peaks (1.32, 0.88, 22.01 ppm; 3.60 A): 4 out of 6 assignments used, quality = 0.72: HB3 LEU 55 + QG2 VAL 104 OK 38 99 - 38 - 1.8/9502=14, 3.9/11140=6...(9) HG3 LYS 94 + QG2 VAL 104 OK 28 99 - 28 - 10228/2.1=5, 3.0/10979=5...(11) HB3 LEU 55 + QG2 VAL 29 OK 27 62 - 43 - 1.8/9502=15, ~9513=12...(8) HG3 LYS 115 + QG2 VAL 104 OK 17 73 - 23 - 10228/2.1=5, ~10227=5...(7) HG3 LYS 94 - QG2 VAL 29 lone 3 61 - 5 - HG3 LYS 115 - QG2 VAL 29 lone 1 40 - 1 - Peak 11510 from cnoeabs.peaks (8.68, 0.88, 22.01 ppm; 3.66 A): 2 out of 6 assignments used, quality = 0.57: H GLU 98 + QG2 VAL 104 OK 43 90 - 48 - 3.0/10161=17...(8) H ASP 86 + QG2 VAL 104 OK 24 92 - 26 - 11511/2.1=6, 3.6/11411=4...(8) H ASP 110 - QG2 VAL 104 lone 2 77 - 3 - H ASP 86 - QG2 VAL 29 lone 1 53 - 2 - H GLU 98 - QG2 VAL 29 lone 1 51 - 2 - H ASP 110 - QG2 VAL 29 lone 0 42 - 1 - Peak 11511 from cnoeabs.peaks (8.69, 0.93, 20.69 ppm; 3.42 A): 3 out of 4 assignments used, quality = 0.79: H GLU 98 + QG1 VAL 104 OK 49 73 - 67 - 11510/2.1=18...(14) H ARG 105 + QG1 VAL 104 OK 47 61 - 77 - 4.2=53, 664/3.2=14...(9) H ASP 86 + QG1 VAL 104 OK 20 99 - 20 - 11510/2.1=10...(6) H ASP 110 - QG1 VAL 104 lone 2 92 - 2 - 11510/2.1=1 Peak 11512 from cnoeabs.peaks (0.69, 1.75, 26.58 ppm; 4.87 A): 5 out of 9 assignments used, quality = 0.94: QD1 ILE 116 + HG3 ARG 105 OK 83 92 - 91 - 3.0/10274=35, ~10273=26...(12) QD2 LEU 81 + HG3 ARG 105 OK 39 73 - 53 - ~11019=18, ~11018=11...(9) QG2 ILE 97 + HG3 ARG 105 OK 18 96 - 19 - 10114/3.0=6, 11107=4...(5) QG2 ILE 56 + HG3 ARG 105 OK 12 99 - 12 - 11016/1.8=3, ~10277=2...(5) QD2 LEU 114 + HG3 ARG 105 OK 12 57 - 21 - ~11019=7, 11015/3.0=4...(6) QD1 LEU 55 - HG3 ARG 105 lone 8 98 - 8 - 11016/1.8=2, 11015/3.0=1...(4) QD2 LEU 4 - HG3 ARG 105 lone 4 87 - 4 - QD1 ILE 57 - HG3 ARG 105 lone 2 70 - 3 - QD2 LEU 63 - HG3 ARG 105 lone 1 61 - 1 - Peak 11513 from cnoeabs.peaks (0.77, 1.41, 18.60 ppm; 2.94 A): 3 out of 11 assignments used, quality = 0.65: QG1 VAL 107 + QB ALA 113 OK 47 92 - 52 - 10314/2.1=14, 10899=12...(11) QD2 LEU 14 + QB ALA 113 OK 23 92 - 25 - 11518=6, 2.1/10418=6...(6) QD1 LEU 81 + QB ALA 113 OK 13 73 - 18 - 2.1/10419=4, 11606/2.1=3...(5) QD2 LEU 64 - QB ALA 113 lone 9 92 - 10 - 3.1/11010=2, 4.7/11125=1...(4) QD1 ILE 15 - QB ALA 113 lone 6 94 - 6 - 5.0/10406=1, 3.0/10418=1 QD1 ILE 7 - QB ALA 113 lone 5 98 - 5 - 11581/10421=1 QG2 VAL 32 - QB ALA 113 lone 4 92 - 5 - 2.1/10418=1 QD1 LEU 82 - QB ALA 113 lone 3 99 - 3 - QD2 LEU 80 - QB ALA 113 lone 2 100 - 2 - QD1 LEU 80 - QB ALA 113 lone 2 100 - 2 - QD1 LEU 45 - QB ALA 113 lone 0 61 - 1 - Peak 11514 from cnoeabs.peaks (1.52, 0.67, 23.24 ppm; 4.29 A): 4 out of 11 assignments used, quality = 0.78: HD3 LYS 17 + QD2 LEU 114 OK 69 99 - 70 - 1.8/10919=17...(12) HB3 ARG 30 + QD2 LEU 114 OK 12 96 - 12 - 9257=3, 1.8/9259=2...(4) HG LEU 6 + QD2 LEU 114 OK 11 100 - 11 - 11537/2.1=4, 11515/2.1=3 HB2 LYS 61 + QD2 LEU 114 OK 11 99 - 11 - 3.0/6693=3, 11515/2.1=3...(5) HG2 LYS 20 - QD2 LEU 114 poor 10 73 - 13 - 4.9/9205=12 HB2 LEU 6 - QD2 LEU 114 lone 6 81 - 8 - ~11537=2, ~11515=2...(4) HD2 LYS 94 - QD2 LEU 114 lone 4 77 - 4 - 11515/2.1=1 HD3 LYS 94 - QD2 LEU 114 lone 4 77 - 4 - 11515/2.1=1 HG2 LYS 43 - QD2 LEU 114 lone 2 94 - 2 - HG LEU 38 - QD2 LEU 114 lone 1 100 - 1 - QB ALA 124 - QD2 LEU 114 lone 1 65 - 1 - Peak 11515 from cnoeabs.peaks (1.52, 0.81, 24.73 ppm; 3.30 A): 2 out of 20 assignments used, quality = 0.46: HD3 LYS 17 + QD1 LEU 114 OK 35 97 - 36 - 11514/2.1=11, ~10919=7...(8) HB2 LYS 61 + QD1 LEU 64 OK 17 60 - 28 - 3.0/9652=7, ~8097=6...(7) HG LEU 6 - QD1 LEU 64 poor 9 63 - 14 - 11537/2.1=5, ~11611=2...(6) HG LEU 6 - QD1 LEU 114 lone 6 99 - 6 - 11537/2.1=3, 11514/2.1=2 HB2 LYS 61 - QD1 LEU 114 lone 5 97 - 5 - 3.0/9652=2, 11514/2.1=2 HB3 ARG 30 - QD1 LEU 114 lone 4 92 - 5 - 11514/2.1=2 HB2 LEU 6 - QD1 LEU 64 poor 4 40 - 11 - ~11537=2, 10953/2.1=2...(7) HB2 LEU 6 - QD1 LEU 114 lone 3 73 - 4 - ~11537=1 HD2 LYS 94 - QD1 LEU 114 lone 2 84 - 2 - HD3 LYS 94 - QD1 LEU 114 lone 2 84 - 2 - HG2 LYS 20 - QD1 LEU 114 lone 2 65 - 2 - 11514/2.1=2 HG LEU 38 - QD1 LEU 64 lone 1 64 - 2 - 3538/3.8=1 HD3 LYS 17 - QD1 LEU 64 lone 1 60 - 2 - HG LEU 38 - QD1 LEU 114 lone 1 100 - 1 - HG2 LYS 43 - QD1 LEU 114 lone 1 90 - 1 - HD2 LYS 94 - QD1 LEU 64 lone 0 48 - 1 - HD3 LYS 94 - QD1 LEU 64 lone 0 48 - 1 - HB3 ARG 30 - QD1 LEU 64 lone 0 54 - 1 - HG2 LYS 43 - QD1 LEU 64 lone 0 52 - 0 - HG2 LYS 20 - QD1 LEU 64 lone 0 35 - 0 - Peak 11516 from cnoeabs.peaks (1.83, 3.89, 60.17 ppm; 3.26 A): 0 out of 10 assignments used, low quality = 0.33: QE MET 121 - HA ARG 118 OK 33 100 - 33 - 4.3/8286=12, 4.3/8283=11...(4) HB ILE 57 - HA ARG 118 lone 5 94 - 6 - 2.9/10542=2, ~9579=1 HB ILE 18 - HA ARG 118 lone 5 90 - 5 - 10510/10519=1...(3) HB2 LEU 14 - HA ARG 118 lone 4 94 - 4 - 1.8/6856=1, 3.1/10542=1 HD2 LYS 123 - HA ARG 118 lone 2 90 - 2 - HB3 LYS 19 - HA ARG 118 lone 1 100 - 1 - HB3 ARG 105 - HA ARG 118 lone 1 73 - 1 - HB3 LYS 77 - HA ARG 118 lone 0 94 - 0 - HB2 LYS 77 - HA ARG 118 lone 0 90 - 0 - HG LEU 70 - HA ARG 118 lone 0 73 - 0 - Peak 11517 from cnoeabs.peaks (1.43, 0.86, 22.48 ppm; 3.07 A): 3 out of 11 assignments used, quality = 0.78: HG3 LYS 17 + QD1 LEU 14 OK 52 99 - 52 - 1.8/11676=16...(12) HB3 GLN 83 + QD1 LEU 14 OK 41 99 - 42 - 11518/2.1=14, ~11007=7...(9) QB ALA 113 + QD1 LEU 14 OK 22 77 - 29 - 10418=7, 11518/2.1=6...(9) HG12 ILE 56 - QD1 LEU 14 lone 2 100 - 2 - HB3 LEU 63 - QD1 LEU 14 lone 2 100 - 2 - HB2 LEU 4 - QD1 LEU 14 lone 1 87 - 1 - HB3 LEU 4 - QD1 LEU 14 lone 1 87 - 1 - HG LEU 80 - QD1 LEU 14 lone 1 73 - 1 - HB3 LYS 61 - QD1 LEU 14 lone 1 97 - 1 - HG2 LYS 96 - QD1 LEU 14 lone 0 77 - 0 - HG3 LYS 44 - QD1 LEU 14 lone 0 84 - 0 - Peak 11518 from cnoeabs.peaks (1.42, 0.76, 24.53 ppm; 2.87 A): 3 out of 11 assignments used, quality = 0.73: HB3 GLN 83 + QD2 LEU 14 OK 46 100 - 46 - 3.0/11007=11...(13) HG3 LYS 17 + QD2 LEU 14 OK 39 98 - 39 - 11517/2.1=12, ~11676=8...(10) QB ALA 113 + QD2 LEU 14 OK 19 84 - 23 - 11513=6, 11517/2.1=5...(6) HG12 ILE 56 - QD2 LEU 14 lone 2 99 - 2 - HB3 LEU 63 - QD2 LEU 14 lone 1 100 - 1 - HB2 LEU 4 - QD2 LEU 14 lone 1 81 - 1 - HB3 LEU 4 - QD2 LEU 14 lone 1 81 - 1 - HB3 LYS 61 - QD2 LEU 14 lone 0 94 - 0 - HG LEU 80 - QD2 LEU 14 lone 0 65 - 0 - HG3 LYS 44 - QD2 LEU 14 lone 0 77 - 0 - HG2 LYS 96 - QD2 LEU 14 lone 0 70 - 0 - Peak 11519 from cnoeabs.peaks (1.66, 0.86, 22.48 ppm; 3.53 A): 0 out of 13 assignments used, low quality = 0.18: HB ILE 5 - QD1 LEU 14 OK 18 90 - 20 - 3.2/11652=9, ~11651=4...(7) HG LEU 114 - QD1 LEU 14 lone 9 98 - 9 - 3.0/11676=3, 3.7/10445=2 HD3 LYS 49 - QD1 LEU 14 lone 3 99 - 3 - HD2 LYS 49 - QD1 LEU 14 lone 3 99 - 3 - HD2 LYS 115 - QD1 LEU 14 lone 3 100 - 3 - 6.0/10451=1 HD3 LYS 115 - QD1 LEU 14 lone 2 100 - 2 - 6.0/10451=1 HD2 LYS 65 - QD1 LEU 14 lone 1 100 - 1 - HD3 LYS 65 - QD1 LEU 14 lone 1 98 - 1 - HB2 ARG 30 - QD1 LEU 14 lone 1 100 - 1 - HG LEU 64 - QD1 LEU 14 lone 1 77 - 1 - HB2 GLU 52 - QD1 LEU 14 lone 1 100 - 1 - HG LEU 90 - QD1 LEU 14 lone 0 65 - 1 - HG3 ARG 95 - QD1 LEU 14 lone 0 65 - 0 - Peak 11520 from cnoeabs.peaks (0.82, 3.68, 60.85 ppm; 4.00 A): 2 out of 7 assignments used, quality = 0.53: QG1 VAL 29 + HA LYS 19 OK 45 65 - 69 - 2.1/9247=32...(13) QD1 LEU 64 + HA LYS 19 OK 14 99 - 14 - 10784/3.8=5, 4781/3.0=3...(4) QD2 LEU 82 - HA LYS 19 lone 3 97 - 3 - QD1 LEU 114 - HA LYS 19 lone 2 84 - 2 - QD2 LEU 74 - HA LYS 19 lone 2 100 - 1 - QD1 LEU 74 - HA LYS 19 lone 1 100 - 1 - QG2 ILE 71 - HA LYS 19 lone 1 100 - 1 - Peak 11521 from cnoeabs.peaks (4.12, 2.38, 33.39 ppm; 3.99 A): 3 out of 8 assignments used, quality = 0.82: HB2 SER 72 + HG2 GLN 25 OK 53 100 - 53 - 11449/3.0=11, ~11449=10...(11) HB3 SER 72 + HG2 GLN 25 OK 53 100 - 53 - 11449/3.0=11, ~11449=10...(11) HA VAL 22 + HG2 GLN 25 OK 17 94 - 18 - 10853/3.5=5, 10863/1.8=4...(6) HA GLN 122 - HG2 GLN 25 lone 8 87 - 9 - ~1805=3, ~7059=3...(4) HA LEU 63 - HG2 GLN 25 lone 1 90 - 1 - HA3 GLY 26 - HG2 GLN 25 lone 1 100 - 1 - HA MET 1 - HG2 GLN 25 lone 1 99 - 1 - HA GLN 62 - HG2 GLN 25 lone 1 65 - 1 - Peak 11522 from cnoeabs.peaks (1.63, 0.97, 13.48 ppm; 3.83 A): 3 out of 11 assignments used, quality = 0.69: HD2 LYS 77 + QD1 ILE 3 OK 34 100 - 34 - 3.6/11523=9, 3.0/9013=9...(7) HD3 LYS 77 + QD1 ILE 3 OK 34 100 - 34 - 3.6/11523=9, 3.0/9013=9...(7) HB3 LEU 127 + QD1 ILE 3 OK 29 87 - 33 - 4.2/9028=9, 1.8/10654=8...(7) HB3 LEU 64 - QD1 ILE 3 lone 8 99 - 8 - 9690/4684=3, 3.0/9014=2 HG LEU 63 - QD1 ILE 3 lone 8 99 - 8 - 3.7/11253=2, 11552/3.0=2...(4) HB2 LEU 82 - QD1 ILE 3 lone 4 99 - 5 - 4682/4684=2, 11552/3.0=1 HG LEU 64 - QD1 ILE 3 lone 4 70 - 6 - 3.7/9014=2, 9691/4659=1 HB ILE 116 - QD1 ILE 3 lone 4 99 - 4 - 3.9/1764=1 HG3 LYS 40 - QD1 ILE 3 lone 2 99 - 2 - HG2 LYS 16 - QD1 ILE 3 lone 1 100 - 1 - HG LEU 90 - QD1 ILE 3 lone 1 81 - 1 - Peak 11523 from cnoeabs.peaks (1.85, 0.97, 13.48 ppm; 3.42 A): 4 out of 10 assignments used, quality = 0.75: HB2 LYS 77 + QD1 ILE 3 OK 41 94 - 44 - 1.8/11086=9, 11691/2.1=9...(9) HB3 LYS 77 + QD1 ILE 3 OK 39 90 - 44 - 1.8/11086=9, 11691/2.1=9...(9) HG LEU 127 + QD1 ILE 3 OK 20 98 - 20 - 3.0/11522=5, 3.0/10654=5...(7) HD2 LYS 123 + QD1 ILE 3 OK 12 94 - 13 - 11210/4659=5...(4) QE MET 42 - QD1 ILE 3 lone 7 81 - 9 - 11532=4, 9428/2.1=3 HB2 LEU 63 - QD1 ILE 3 lone 4 61 - 7 - 3.0/9016=2, 3.0/11522=1 HG LEU 70 - QD1 ILE 3 lone 1 99 - 1 - HB3 LYS 19 - QD1 ILE 3 lone 1 65 - 2 - HB2 ARG 105 - QD1 ILE 3 lone 0 99 - 0 - HB3 ARG 118 - QD1 ILE 3 lone 0 61 - 0 - Peak 11525 from cnoeabs.peaks (0.86, 2.11, 41.07 ppm; 3.92 A): 2 out of 10 assignments used, quality = 0.73: QG1 VAL 32 + HB2 LEU 38 OK 70 100 - 70 - 9288/2.9=25, 9282/3.8=18...(10) QD1 LEU 14 + HB2 LEU 38 OK 10 99 - 11 - 2.1/11007=3, 11003/2.9=3...(4) QG2 VAL 107 - HB2 LEU 38 lone 9 99 - 9 - 11505/3.8=3, 11003/2.9=2 QG2 VAL 117 - HB2 LEU 38 lone 8 100 - 8 - 11003/2.9=2, ~11673=1...(4) QD2 LEU 90 - HB2 LEU 38 poor 7 65 - 10 - ~11568=3, 10976/3.8=3, ~3521=1 HG13 ILE 57 - HB2 LEU 38 lone 5 99 - 5 - 11003/2.9=1, 11505/3.8=1 QG2 THR 9 - HB2 LEU 38 lone 3 100 - 3 - 11003/2.9=1 QG2 VAL 22 - HB2 LEU 38 lone 3 92 - 3 - QG2 ILE 15 - HB2 LEU 38 lone 1 70 - 2 - HG13 ILE 5 - HB2 LEU 38 lone 1 65 - 1 - Peak 11526 from cnoeabs.peaks (0.76, 1.46, 41.07 ppm; 3.96 A): 3 out of 11 assignments used, quality = 0.87: QG2 VAL 32 + HB3 LEU 38 OK 73 99 - 73 - 9289/2.9=19...(9) QD1 LEU 63 + HB3 LEU 38 OK 48 70 - 68 - ~9684=11, ~10987=10...(18) QD1 LEU 45 + HB3 LEU 38 OK 11 99 - 11 - 9431/9429=2, 9375/2.9=2 QD2 LEU 14 - HB3 LEU 38 lone 9 99 - 9 - 11007/1.8=4, ~11525=2...(4) QG2 ILE 7 - HB3 LEU 38 poor 9 81 - 11 - 10986/3.8=2, 9375/2.9=2...(5) QD1 ILE 7 - HB3 LEU 38 lone 9 94 - 9 - 11584/10930=2...(4) QD1 LEU 80 - HB3 LEU 38 poor 8 70 - 11 - 11092/3.1=2, ~11089=2...(6) QD2 LEU 80 - HB3 LEU 38 poor 7 65 - 11 - 11091/3.1=2, ~11092=2...(6) QG1 VAL 107 - HB3 LEU 38 lone 6 99 - 6 - ~11525=2, ~11003=1, 9375/2.9=1 QG2 ILE 54 - HB3 LEU 38 lone 6 87 - 7 - 11708/3.1=2, 9375/2.9=1 QD1 ILE 15 - HB3 LEU 38 lone 2 98 - 2 - Peak 11527 from cnoeabs.peaks (4.13, 0.89, 25.56 ppm; 4.05 A): 2 out of 11 assignments used, quality = 0.82: HA LEU 63 + QD2 LEU 38 OK 79 100 - 79 - 11252=24, 3.0/11260=20...(16) HA MET 1 + QD2 LEU 38 OK 17 73 - 23 - 3.9/10994=7, 10997/2.1=6...(7) HA GLN 122 - QD2 LEU 38 lone 7 100 - 7 - 10997/2.1=2, 3.6/9386=1 HA ALA 124 - QD2 LEU 38 lone 6 92 - 6 - ~10614=1, ~10618=1, 10997/2.1=1 HA ARG 95 - QD2 LEU 38 lone 5 73 - 7 - ~11026=1 HA GLU 89 - QD2 LEU 38 lone 5 84 - 6 - 3.6/1596=1 HA LEU 45 - QD2 LEU 38 lone 4 81 - 5 - 4.0/10988=1, 3.6/11001=1 HA VAL 22 - QD2 LEU 38 lone 3 100 - 3 - HA3 GLY 26 - QD2 LEU 38 lone 2 96 - 2 - HB2 SER 72 - QD2 LEU 38 lone 2 87 - 2 - HB3 SER 72 - QD2 LEU 38 lone 2 87 - 2 - Peak 11528 from cnoeabs.peaks (0.73, 1.44, 45.31 ppm; 3.46 A): 2 out of 24 assignments used, quality = 0.81: QG2 VAL 78 + HB2 LEU 4 OK 56 100 - 56 - 2.1/11529=11, 11378=10...(14) QG2 VAL 78 + HB3 LEU 4 OK 56 100 - 56 - 2.1/11529=11, 11378=10...(14) HG13 ILE 18 - HB3 LEU 4 lone 8 100 - 8 - 11709/3.1=2, 2.1/11529=2...(4) HG13 ILE 18 - HB2 LEU 4 lone 8 100 - 8 - 11709/3.1=2, 2.1/11529=2...(4) QD2 LEU 55 - HB3 LEU 4 lone 6 92 - 7 - 10738/4.4=3, 10665/3.8=1 QD2 LEU 55 - HB2 LEU 4 lone 6 92 - 7 - 10738/4.4=3, 10665/3.8=1 QG2 ILE 18 - HB3 LEU 4 lone 6 96 - 6 - 2.9/11529=1 QG2 ILE 18 - HB2 LEU 4 lone 6 96 - 6 - 2.9/11529=1 QD2 LEU 45 - HB3 LEU 4 lone 5 100 - 5 - 9449/9035=2 QD2 LEU 45 - HB2 LEU 4 lone 5 100 - 5 - 9449/9035=2 QD2 LEU 6 - HB3 LEU 4 lone 4 94 - 5 - 10738/4.4=1 QD2 LEU 6 - HB2 LEU 4 lone 4 94 - 5 - 10738/4.4=1 QG2 ILE 7 - HB3 LEU 4 lone 4 65 - 5 - 10665/3.8=1, 11582/11529=1 QG2 ILE 7 - HB2 LEU 4 lone 4 65 - 5 - 10665/3.8=1, 11582/11529=1 QD1 LEU 6 - HB3 LEU 4 lone 3 90 - 3 - QD1 LEU 6 - HB2 LEU 4 lone 3 90 - 3 - QD1 LEU 63 - HB3 LEU 4 lone 2 77 - 3 - QD1 LEU 63 - HB2 LEU 4 lone 2 77 - 3 - QG1 VAL 117 - HB3 LEU 4 lone 2 99 - 2 - QG1 VAL 117 - HB2 LEU 4 lone 2 99 - 2 - QD2 LEU 63 - HB2 LEU 4 lone 1 70 - 2 - QD2 LEU 63 - HB3 LEU 4 lone 1 70 - 2 - QD1 ILE 57 - HB3 LEU 4 lone 0 61 - 1 - QD1 ILE 57 - HB2 LEU 4 lone 0 61 - 1 - Peak 11529 from cnoeabs.peaks (0.61, 1.44, 45.31 ppm; 3.61 A): 4 out of 6 assignments used, quality = 0.84: QG1 VAL 78 + HB3 LEU 4 OK 53 99 - 53 - 2.1/11528=10, 9863=9...(13) QG1 VAL 78 + HB2 LEU 4 OK 53 99 - 53 - 2.1/11528=10, 9863=9...(13) QD1 ILE 5 + HB2 LEU 4 OK 14 84 - 17 - 2437/4.4=5, 3.0/10942=3...(6) QD1 ILE 5 + HB3 LEU 4 OK 14 84 - 17 - 2437/4.4=5, 3.0/10942=3...(6) QD1 ILE 18 - HB2 LEU 4 lone 8 100 - 7 - 2.1/11528=1, ~11709=1 QD1 ILE 18 - HB3 LEU 4 lone 8 100 - 7 - 2.1/11528=1, ~11709=1 Peak 11530 from cnoeabs.peaks (0.82, 1.87, 17.86 ppm; 3.31 A): 3 out of 7 assignments used, quality = 0.65: QG2 ILE 71 + QE MET 42 OK 42 100 - 42 - 3.3/9432=13...(7) QD1 LEU 74 + QE MET 42 OK 24 100 - 24 - 11277=15, 9819/9426=4 QD2 LEU 74 + QE MET 42 OK 21 100 - 21 - 2.1/11277=12...(3) QD1 LEU 64 - QE MET 42 lone 3 99 - 3 - QG1 VAL 29 - QE MET 42 lone 3 65 - 4 - 4.0/3803=2, 2.1/9430=1 QD1 LEU 114 - QE MET 42 lone 3 84 - 3 - 2.1/9432=2 QD2 LEU 82 - QE MET 42 lone 2 97 - 2 - Peak 11531 from cnoeabs.peaks (0.94, 2.76, 32.47 ppm; 4.32 A): 2 out of 7 assignments used, quality = 0.58: QD1 LEU 38 + HG3 MET 42 OK 51 65 - 79 - 2.1/9378=19, 10993=18...(16) HG13 ILE 56 + HG3 MET 42 OK 13 81 - 16 - ~9432=5, ~9547=4...(6) HD3 LYS 2 - HG3 MET 42 lone 2 73 - 3 - QG1 VAL 104 - HG3 MET 42 lone 2 77 - 3 - HG13 ILE 97 - HG3 MET 42 lone 2 61 - 3 - 3.2/10118=1 QD2 LEU 127 - HG3 MET 42 lone 1 84 - 2 - HG3 LYS 53 - HG3 MET 42 lone 1 94 - 1 - Peak 11532 from cnoeabs.peaks (0.98, 1.87, 17.86 ppm; 3.65 A): 2 out of 5 assignments used, quality = 0.54: QD1 LEU 38 + QE MET 42 OK 49 81 - 61 - 2.1/9430=12...(14) HG13 ILE 56 + QE MET 42 OK 10 65 - 15 - 2.1/9432=9, 3.2/10946=3, 10949=2 QD1 ILE 3 - QE MET 42 lone 10 97 - 10 - 2.1/9428=5, 11523=2 HD3 LYS 2 - QE MET 42 lone 2 73 - 3 - 2.9/11685=1 HG13 ILE 116 - QE MET 42 lone 1 98 - 1 - Peak 11533 from cnoeabs.peaks (1.69, 0.72, 23.70 ppm; 4.11 A): 0 out of 24 assignments used, low quality = 0.43: HG3 ARG 95 - QD2 LEU 45 OK 37 73 - 50 - 4.1/4026=8, 4.7/4025=7...(15) HD2 LYS 44 - QD2 LEU 45 OK 10 94 - 11 - 268/4.7=3, 3.7/4027=3 HD3 LYS 44 - QD2 LEU 45 poor 10 90 - 11 - 268/4.7=3, 3.7/4027=3 HD2 LYS 73 - QD2 LEU 45 lone 8 97 - 9 - 3.8/4027=1, 3.8/4027=1...(4) HD3 LYS 73 - QD2 LEU 45 lone 8 96 - 9 - 3.8/4027=1, 3.8/4027=1, ~4021=1 HD2 LYS 20 - QD2 LEU 45 lone 8 99 - 8 - HD3 LYS 20 - QD2 LEU 45 lone 8 99 - 8 - HD3 LYS 96 - QD2 LEU 45 lone 6 94 - 7 - 267/4.7=1 HB ILE 56 - QD2 LEU 45 lone 6 100 - 5 - HD2 LYS 96 - QD2 LEU 45 lone 5 90 - 6 - HD3 LYS 43 - QD2 LEU 45 lone 5 96 - 5 - 267/4.7=1 HD2 LYS 17 - QD2 LEU 45 lone 4 90 - 5 - 2.9/9437=2 HG12 ILE 71 - QD2 LEU 45 lone 4 100 - 4 - 4622/9450=1 HD2 LYS 43 - QD2 LEU 45 lone 4 84 - 4 - HG LEU 74 - QD2 LEU 45 lone 3 87 - 3 - 4610/9449=1 HG3 LYS 123 - QD2 LEU 45 lone 2 97 - 2 - HG3 LYS 39 - QD2 LEU 45 lone 2 97 - 2 - HD3 LYS 39 - QD2 LEU 45 lone 1 84 - 2 - HB ILE 54 - QD2 LEU 45 lone 1 92 - 2 - HD2 LYS 39 - QD2 LEU 45 lone 1 81 - 2 - HD3 LYS 16 - QD2 LEU 45 lone 1 100 - 1 - HD2 LYS 16 - QD2 LEU 45 lone 1 98 - 1 - HD2 LYS 40 - QD2 LEU 45 lone 1 92 - 1 - HD3 LYS 40 - QD2 LEU 45 lone 1 90 - 1 - Peak 11534 from cnoeabs.peaks (1.06, 0.86, 27.65 ppm; 4.53 A): 0 out of 6 assignments used, low quality = 0.44: HB2 PHE 79 - HG13 ILE 5 OK 29 35 - 83 - 10740/2.1=25, ~9051=12...(20) QG2 ILE 3 - HG13 ILE 5 OK 21 43 - 49 - 10739/1.8=26, 9009/2.1=8...(11) HG2 LYS 2 - HG13 ILE 5 poor 9 63 - 14 - 10739/1.8=8, 10740/2.1=3...(4) QG2 ILE 3 - HG13 ILE 57 lone 2 73 - 3 - HB2 PHE 79 - HG13 ILE 57 lone 2 61 - 3 - HG2 LYS 2 - HG13 ILE 57 lone 1 97 - 1 - Peak 11535 from cnoeabs.peaks (1.91, 0.85, 27.65 ppm; 4.58 A): 7 out of 38 assignments used, quality = 0.90: HG2 MET 121 + HG13 ILE 5 OK 40 98 - 40 - ~10592=11, 10594/2.1=10...(9) HB2 LEU 81 + HG13 ILE 57 OK 30 61 - 50 - 9556/2.1=12, ~11389=8...(11) HB ILE 15 + HG13 ILE 57 OK 29 66 - 44 - ~9559=15, 9556/2.1=10...(8) HB3 LYS 17 + HG13 ILE 5 OK 27 90 - 30 - 11476=6, 1.8/11474=5...(9) HB ILE 7 + HG13 ILE 5 OK 25 61 - 41 - ~11582=8, ~10941=7...(13) HG2 MET 121 + HG13 ILE 57 OK 24 64 - 38 - ~10599=14, 9556/2.1=9...(7) HB ILE 15 + HG13 ILE 5 OK 22 99 - 22 - ~11658=4, ~2683=3...(10) HB ILE 7 - HG13 ILE 57 poor 10 35 - 28 - 3.9/10672=6, 9080/4.2=5...(8) HB3 LYS 17 - HG13 ILE 57 poor 6 55 - 11 - 9556/2.1=2, 11476=2...(6) HB2 LEU 45 - HG13 ILE 5 lone 5 97 - 5 - 9441/9053=2 HB2 LEU 81 - HG13 ILE 5 lone 5 96 - 5 - 4703/4707=1 HB3 LYS 123 - HG13 ILE 5 lone 4 100 - 4 - ~11545=1 HB2 LYS 115 - HG13 ILE 5 lone 2 70 - 3 - HB3 LYS 123 - HG13 ILE 57 lone 2 67 - 2 - HB2 LYS 49 - HG13 ILE 5 lone 1 87 - 2 - HB2 LYS 73 - HG13 ILE 5 lone 1 73 - 2 - HB3 LYS 73 - HG13 ILE 5 lone 1 70 - 2 - HB2 GLU 128 - HG13 ILE 5 lone 1 92 - 1 - HB2 LYS 43 - HG13 ILE 5 lone 1 99 - 1 - HB2 LYS 44 - HG13 ILE 57 lone 1 68 - 2 - HB ILE 71 - HG13 ILE 5 lone 1 77 - 1 - HB2 LYS 44 - HG13 ILE 5 lone 1 100 - 1 - HB3 LYS 44 - HG13 ILE 57 lone 1 65 - 2 - HB3 LYS 43 - HG13 ILE 5 lone 1 92 - 1 - HB3 LYS 44 - HG13 ILE 5 lone 1 99 - 1 - HB ILE 71 - HG13 ILE 57 lone 1 45 - 2 - HB2 LYS 96 - HG13 ILE 5 lone 1 92 - 1 - HB2 LEU 45 - HG13 ILE 57 lone 1 63 - 2 - HB2 ARG 95 - HG13 ILE 5 lone 1 81 - 1 - HB2 LYS 43 - HG13 ILE 57 lone 1 66 - 1 - HB3 LYS 43 - HG13 ILE 57 lone 1 57 - 1 - HB2 LYS 115 - HG13 ILE 57 lone 1 40 - 2 - HB2 GLU 128 - HG13 ILE 57 lone 1 57 - 1 - HB2 LYS 96 - HG13 ILE 57 lone 1 57 - 1 - HB2 LYS 73 - HG13 ILE 57 lone 1 43 - 1 - HB3 LYS 73 - HG13 ILE 57 lone 1 40 - 1 - HB2 LYS 49 - HG13 ILE 57 lone 1 53 - 1 - HB2 ARG 95 - HG13 ILE 57 lone 0 48 - 1 - Peak 11537 from cnoeabs.peaks (1.65, 1.52, 27.91 ppm; 3.57 A): 4 out of 13 assignments used, quality = 0.60: HB ILE 5 + HG LEU 6 OK 40 100 - 40 - 4.5/2465=13...(7) HG LEU 64 + HG LEU 6 OK 17 97 - 17 - 11611/2.1=4, 2.1/11515=3...(6) HD3 LYS 49 + HG LEU 6 OK 11 99 - 11 - 11611/2.1=3, ~11611=2...(4) HD2 LYS 49 + HG LEU 6 OK 11 99 - 11 - 11611/2.1=3, ~11611=2...(4) HG LEU 114 - HG LEU 6 lone 9 100 - 9 - 2.1/11515=3, 2.1/11514=2 HB2 ARG 30 - HG LEU 6 lone 8 99 - 8 - 11611/2.1=3, 2.8/2468=2 HD3 LYS 65 - HG LEU 6 lone 2 100 - 2 - HD2 LYS 65 - HG LEU 6 lone 2 99 - 2 - HD2 LYS 115 - HG LEU 6 lone 1 97 - 1 - HD3 LYS 115 - HG LEU 6 lone 1 92 - 1 - HB2 GLU 52 - HG LEU 6 lone 1 97 - 1 - HG LEU 90 - HG LEU 6 lone 1 92 - 1 - HB ILE 116 - HG LEU 6 lone 0 61 - 0 - Peak 11538 from cnoeabs.peaks (2.03, 2.71, 39.04 ppm; 5.89 A): 0 out of 28 assignments used, low quality = 0.00: HB3 GLN 85 - HB3 ASN 50 lone 6 87 - 7 - ~10610=5 HB3 GLN 85 - HB2 ASN 50 lone 6 87 - 7 - ~10610=5 HB2 GLU 66 - HB2 ASN 50 lone 4 87 - 5 - 8111/11047=1 HB2 GLU 66 - HB3 ASN 50 lone 4 87 - 5 - 8111/11047=1 HB3 GLU 111 - HB3 ASN 50 lone 2 99 - 2 - HB3 GLU 111 - HB2 ASN 50 lone 2 99 - 2 - HB2 GLU 89 - HB3 ASN 50 lone 2 87 - 2 - HB3 GLU 89 - HB3 ASN 50 lone 2 87 - 2 - HB2 GLU 89 - HB2 ASN 50 lone 2 87 - 2 - HB3 GLU 89 - HB2 ASN 50 lone 2 87 - 2 - HB2 MET 1 - HB3 ASN 50 lone 2 100 - 2 - HB2 MET 1 - HB2 ASN 50 lone 2 100 - 2 - HB2 GLN 25 - HB3 ASN 50 lone 2 97 - 2 - HB2 GLN 25 - HB2 ASN 50 lone 2 97 - 2 - HB3 GLU 87 - HB3 ASN 50 lone 2 87 - 2 - HB3 GLU 87 - HB2 ASN 50 lone 2 87 - 2 - HB2 GLU 48 - HB3 ASN 50 lone 1 87 - 2 - HB3 GLU 48 - HB3 ASN 50 lone 1 87 - 2 - HB2 GLU 48 - HB2 ASN 50 lone 1 87 - 2 - HB3 GLU 48 - HB2 ASN 50 lone 1 87 - 2 - HG2 GLU 128 - HB3 ASN 50 lone 1 81 - 2 - HG3 GLU 128 - HB3 ASN 50 lone 1 81 - 2 - HG2 GLU 128 - HB2 ASN 50 lone 1 80 - 2 - HG3 GLU 128 - HB2 ASN 50 lone 1 80 - 2 - HB VAL 117 - HB2 ASN 50 lone 1 61 - 2 - HB VAL 117 - HB3 ASN 50 lone 1 61 - 2 - HG3 GLU 52 - HB3 ASN 50 lone 1 73 - 2 - HG3 GLU 52 - HB2 ASN 50 lone 1 73 - 2 - Peak 11540 from cnoeabs.peaks (4.07, 1.56, 29.23 ppm; 5.68 A): 0 out of 16 assignments used, low quality = 0.29: HA GLU 91 - HD3 LYS 106 OK 16 100 - 16 - ~10077=8, ~11469=2...(5) HA GLU 91 - HD2 LYS 106 OK 16 100 - 16 - ~10077=8, ~11469=2...(5) HA LYS 96 - HD3 LYS 106 lone 5 94 - 6 - HA LYS 96 - HD2 LYS 106 lone 5 94 - 6 - HA LYS 20 - HD3 LYS 106 lone 3 84 - 3 - HA LYS 20 - HD2 LYS 106 lone 3 84 - 3 - HA LYS 43 - HD3 LYS 106 lone 2 81 - 2 - HA LYS 43 - HD2 LYS 106 lone 2 80 - 2 - HA LYS 44 - HD3 LYS 106 lone 2 84 - 2 - HA LYS 44 - HD2 LYS 106 lone 2 84 - 2 - HA GLU 37 - HD3 LYS 106 lone 1 77 - 2 - HA GLU 37 - HD2 LYS 106 lone 1 77 - 2 - HA3 GLY 125 - HD3 LYS 106 lone 1 90 - 1 - HA3 GLY 125 - HD2 LYS 106 lone 1 89 - 1 - HA GLU 69 - HD3 LYS 106 lone 1 61 - 2 - HA GLU 69 - HD2 LYS 106 lone 1 61 - 2 - Peak 11541 from cnoeabs.peaks (8.04, 2.08, 29.19 ppm; 3.99 A): 8 out of 36 assignments used, quality = 0.83: H LYS 65 + HB3 GLU 66 OK 33 84 - 39 - 1908/3.7=24, 2089/4.1=11...(5) H ASP 109 + HB2 GLU 112 OK 27 100 - 27 - 4.0/10363=8, 4.0/10358=8...(6) H ASP 109 + HB3 GLU 112 OK 26 100 - 26 - 4.0/10363=8, 4.0/10358=8...(6) H SER 72 + HB3 GLU 69 OK 21 74 - 28 - 2122/2.9=12, 2114/4.6=8...(6) H LYS 65 + HB3 GLU 69 OK 14 96 - 15 - 4.6/1435=4, 391/4.0=3...(5) H GLN 122 + HB3 GLU 66 OK 13 52 - 25 - 772=3, 1965/4.1=3...(11) H ARG 118 + HB2 GLU 112 OK 13 90 - 14 - 742/4.6=6, 4.7/7875=3...(4) H ARG 118 + HB3 GLU 112 OK 12 89 - 14 - 742/4.6=6, 4.7/7875=3...(4) H LEU 90 - HB3 GLU 66 poor 9 72 - 12 - 398/3.7=3, 4.4/11062=2...(5) H LYS 65 - HB2 GLU 112 lone 7 100 - 7 - 1960/4.6=1, 4.6/1435=1 H VAL 22 - HB3 GLU 66 lone 6 84 - 8 - 4.0/10867=1 H LYS 65 - HB3 GLU 112 lone 6 100 - 6 - 1960/4.6=1, 4.6/1435=1 H ASP 109 - HB3 GLU 66 lone 6 84 - 7 - 4.0/10358=2, 4.0/10363=2 H ARG 118 - HB3 GLU 66 lone 6 70 - 8 - 1908/3.7=2, 2089/4.1=1 H LEU 90 - HB2 GLU 112 lone 3 92 - 4 - 560/4.0=1 H LEU 90 - HB3 GLU 112 lone 3 92 - 4 - 560/4.0=1 H ARG 118 - HB3 GLU 69 lone 3 83 - 4 - H THR 9 - HB3 GLU 66 lone 3 78 - 4 - 1908/3.7=2 H VAL 22 - HB3 GLU 69 lone 3 96 - 3 - H SER 72 - HB3 GLU 66 lone 3 61 - 4 - H ASP 109 - HB3 GLU 69 lone 3 96 - 3 - H LEU 90 - HB3 GLU 69 lone 2 85 - 3 - H GLN 122 - HB2 GLU 112 lone 2 70 - 3 - H GLN 122 - HB3 GLU 112 lone 2 69 - 3 - H GLN 122 - HB3 GLU 69 lone 2 63 - 4 - H VAL 22 - HB2 GLU 112 lone 2 100 - 2 - H VAL 22 - HB3 GLU 112 lone 2 100 - 2 - H THR 9 - HB2 GLU 112 lone 2 97 - 2 - H THR 9 - HB3 GLU 112 lone 2 97 - 2 - H SER 72 - HB2 GLU 112 lone 2 81 - 2 - H SER 72 - HB3 GLU 112 lone 2 80 - 2 - H THR 9 - HB3 GLU 69 lone 1 91 - 1 - H GLY 26 - HB3 GLU 69 lone 1 63 - 2 - H GLY 26 - HB2 GLU 112 lone 1 70 - 1 - H GLY 26 - HB3 GLU 112 lone 1 69 - 1 - H GLY 26 - HB3 GLU 66 lone 1 52 - 1 - Peak 11542 from cnoeabs.peaks (3.99, 1.51, 24.44 ppm; 4.63 A): 4 out of 8 assignments used, quality = 0.86: HA LYS 17 + HG2 LYS 20 OK 67 100 - 67 - 7995/4.9=20...(15) HB2 SER 99 + HG2 LYS 20 OK 27 100 - 27 - 11543/1.8=7, ~11543=6...(13) HB3 SER 99 + HG2 LYS 20 OK 27 100 - 27 - 11543/1.8=7, ~11543=6...(13) HA LEU 14 + HG2 LYS 20 OK 17 94 - 18 - 11543/1.8=4, 2003/4.9=4...(7) HA GLU 111 - HG2 LYS 20 lone 4 98 - 4 - HA GLU 112 - HG2 LYS 20 lone 3 100 - 3 - HA3 GLY 75 - HG2 LYS 20 lone 1 65 - 2 - HA3 GLY 101 - HG2 LYS 20 lone 1 77 - 1 - Peak 11543 from cnoeabs.peaks (3.99, 1.48, 24.44 ppm; 4.65 A): 4 out of 8 assignments used, quality = 0.83: HA LYS 17 + HG3 LYS 20 OK 63 100 - 63 - 7995/4.9=21...(14) HB2 SER 99 + HG3 LYS 20 OK 27 100 - 27 - 11542/1.8=7, ~11542=5...(13) HB3 SER 99 + HG3 LYS 20 OK 27 100 - 27 - 11542/1.8=7, ~11542=5...(13) HA LEU 14 + HG3 LYS 20 OK 16 94 - 17 - 11542/1.8=5, 2003/4.9=4...(6) HA GLU 111 - HG3 LYS 20 lone 3 98 - 3 - 11542/1.8=1 HA GLU 112 - HG3 LYS 20 lone 3 100 - 3 - HA3 GLY 75 - HG3 LYS 20 lone 2 65 - 2 - HA3 GLY 101 - HG3 LYS 20 lone 1 77 - 1 - Peak 11544 from cnoeabs.peaks (3.99, 1.69, 28.78 ppm; 4.53 A): 6 out of 54 assignments used, quality = 0.99: HA LYS 17 + HD3 LYS 20 OK 63 99 - 63 - 7995/6.2=14...(16) HA LYS 17 + HD2 LYS 20 OK 63 99 - 63 - 7995/6.2=14...(16) HB3 SER 99 + HD3 LYS 96 OK 49 87 - 57 - 8228/5.3=10, ~8210=9...(16) HB2 SER 99 + HD3 LYS 96 OK 49 87 - 57 - 8228/5.3=10, ~8210=9...(16) HB2 SER 99 + HD2 LYS 96 OK 47 82 - 57 - 8228/5.3=10, ~8210=9...(16) HB3 SER 99 + HD2 LYS 96 OK 47 82 - 57 - 8228/5.3=10, ~8210=9...(16) HB2 SER 99 - HD3 LYS 20 OK 30 96 - 31 - 11543/3.0=6, 11542/3.0=5...(13) HB3 SER 99 - HD3 LYS 20 OK 30 96 - 31 - 11543/3.0=6, 11542/3.0=5...(13) HB2 SER 99 - HD2 LYS 20 OK 29 95 - 31 - 11543/3.0=6, 11542/3.0=5...(13) HB3 SER 99 - HD2 LYS 20 OK 29 95 - 31 - 11543/3.0=6, 11542/3.0=5...(13) HA LEU 14 - HD3 LYS 20 OK 17 100 - 17 - 11542/3.0=3, 11543/3.0=3...(6) HA LEU 14 - HD2 LYS 20 OK 17 100 - 17 - 11542/3.0=3, 11543/3.0=3...(6) HA LYS 17 - HD3 LYS 43 lone 8 98 - 8 - 2817/2.9=1, 7995/3082=1 HA LYS 17 - HD3 LYS 96 lone 8 92 - 8 - 2815/3.0=1 HA LYS 17 - HD2 LYS 73 lone 8 99 - 8 - HA LYS 17 - HD3 LYS 73 lone 8 98 - 8 - HA LYS 17 - HD2 LYS 96 lone 7 88 - 8 - 2815/3.0=1 HA LYS 17 - HD2 LYS 43 lone 7 89 - 8 - 2817/2.9=1 HA LYS 17 - HG12 ILE 71 lone 4 87 - 5 - ~10915=2, ~10914=1 HB2 SER 99 - HD2 LYS 73 lone 3 95 - 4 - HB3 SER 99 - HD2 LYS 73 lone 3 95 - 4 - HA GLU 111 - HD3 LYS 20 lone 3 100 - 3 - HA GLU 111 - HD2 LYS 20 lone 3 100 - 3 - HB2 SER 99 - HD3 LYS 73 lone 3 94 - 4 - HB3 SER 99 - HD3 LYS 73 lone 3 94 - 4 - HB3 SER 99 - HD3 LYS 43 lone 3 94 - 3 - HB2 SER 99 - HD3 LYS 43 lone 3 94 - 3 - HA LEU 14 - HD3 LYS 43 lone 3 99 - 3 - HB2 SER 99 - HD2 LYS 43 lone 3 83 - 3 - HB3 SER 99 - HD2 LYS 43 lone 3 83 - 3 - HA LEU 14 - HD2 LYS 43 lone 3 89 - 3 - HA GLU 112 - HD3 LYS 20 lone 2 94 - 3 - HA GLU 112 - HD2 LYS 20 lone 2 94 - 3 - HA GLU 111 - HG12 ILE 71 lone 2 89 - 3 - HA LEU 14 - HG12 ILE 71 lone 2 88 - 2 - HA LEU 14 - HD3 LYS 73 lone 2 99 - 2 - HA LEU 14 - HD2 LYS 73 lone 2 99 - 2 - HA LEU 14 - HD3 LYS 96 lone 1 93 - 1 - HA GLU 111 - HD3 LYS 43 lone 1 99 - 1 - HA LEU 14 - HD2 LYS 96 lone 1 89 - 1 - HA GLU 112 - HD3 LYS 96 lone 1 85 - 1 - HA GLU 112 - HD2 LYS 73 lone 1 93 - 1 - HA GLU 111 - HD2 LYS 43 lone 1 90 - 1 - HA GLU 112 - HD3 LYS 73 lone 1 92 - 1 - HA GLU 112 - HD2 LYS 96 lone 1 80 - 1 - HA GLU 111 - HD3 LYS 96 lone 1 94 - 1 - HB2 SER 99 - HG12 ILE 71 lone 1 82 - 1 - HB3 SER 99 - HG12 ILE 71 lone 1 82 - 1 - HA GLU 111 - HD2 LYS 73 lone 1 100 - 1 - HA GLU 111 - HD2 LYS 96 lone 1 90 - 1 - HA GLU 111 - HD3 LYS 73 lone 1 99 - 1 - HA GLU 112 - HD3 LYS 43 lone 1 92 - 1 - HA GLU 112 - HG12 ILE 71 lone 1 80 - 1 - HA GLU 112 - HD2 LYS 43 lone 1 81 - 1 - Peak 11545 from cnoeabs.peaks (1.94, 0.64, 13.41 ppm; 3.61 A): 0 out of 36 assignments used, low quality = 0.13: HB3 GLU 52 - QD1 ILE 54 OK 13 87 - 15 - 11351=6, 4.7/10800=4...(4) HB3 GLU 41 - QD1 ILE 54 lone 8 94 - 8 - 9400/3.1=2, ~9401=2...(4) HB2 GLU 41 - QD1 ILE 54 lone 7 92 - 8 - 9400/3.1=2, ~9401=2...(4) HB3 LYS 17 - QD1 ILE 5 poor 6 44 - 13 - ~11474=2, 11476/2.1=2...(6) HB3 GLU 52 - QD1 ILE 5 lone 4 62 - 7 - 11351=2, 4.7/10800=2 HB2 LYS 65 - QD1 ILE 54 lone 3 98 - 3 - ~10981=1 HB3 LYS 65 - QD1 ILE 54 lone 3 97 - 3 - ~10981=1 HB3 MET 42 - QD1 ILE 54 lone 3 92 - 3 - HB VAL 29 - QD1 ILE 54 lone 3 84 - 3 - ~9489=2 HB2 LYS 123 - QD1 ILE 5 lone 2 74 - 3 - HB2 LEU 70 - QD1 ILE 54 lone 2 100 - 2 - 8139/9703=1 HB3 LYS 40 - QD1 ILE 54 lone 2 99 - 2 - HB2 LYS 123 - QD1 ILE 54 lone 2 98 - 2 - HB2 LYS 65 - QD1 ILE 5 lone 1 74 - 2 - HB3 LYS 65 - QD1 ILE 5 lone 1 72 - 2 - HB3 LYS 115 - QD1 ILE 5 lone 1 74 - 2 - HB3 LYS 17 - QD1 ILE 54 lone 1 65 - 2 - HB2 LEU 127 - QD1 ILE 5 lone 1 72 - 2 - HB3 LYS 40 - QD1 ILE 5 lone 1 75 - 2 - HB VAL 104 - QD1 ILE 5 lone 1 74 - 2 - HB3 LYS 115 - QD1 ILE 54 lone 1 98 - 1 - HB2 LYS 115 - QD1 ILE 5 lone 1 62 - 2 - HB2 LYS 39 - QD1 ILE 54 lone 1 98 - 1 - HB3 LYS 39 - QD1 ILE 54 lone 1 96 - 1 - HB2 LYS 115 - QD1 ILE 54 lone 1 87 - 1 - HB VAL 29 - QD1 ILE 5 lone 1 59 - 2 - HB2 LEU 127 - QD1 ILE 54 lone 1 97 - 1 - HB VAL 104 - QD1 ILE 54 lone 1 98 - 1 - HB2 LEU 70 - QD1 ILE 5 lone 1 78 - 1 - HB3 GLU 128 - QD1 ILE 54 lone 1 81 - 1 - HB2 LYS 39 - QD1 ILE 5 lone 1 74 - 1 - HB3 LYS 39 - QD1 ILE 5 lone 1 71 - 1 - HB3 GLU 128 - QD1 ILE 5 lone 1 56 - 1 - HB3 GLU 41 - QD1 ILE 5 lone 1 69 - 1 - HB3 MET 42 - QD1 ILE 5 lone 1 66 - 1 - HB2 GLU 41 - QD1 ILE 5 lone 1 66 - 1 - Peak 11546 from cnoeabs.peaks (3.78, 0.74, 25.21 ppm; 5.29 A): 4 out of 9 assignments used, quality = 0.95: HB2 SER 58 + QD1 LEU 63 OK 78 100 - 78 - 11547/2.1=26...(15) HA LEU 68 + QD2 LEU 6 OK 44 84 - 53 - 11562/2.1=22...(7) HA LEU 68 + QD1 LEU 63 OK 38 100 - 38 - 11547/2.1=12...(9) HB2 SER 58 + QD2 LEU 6 OK 29 84 - 35 - 2.8/11558=9, 11562/2.1=9...(11) HA LYS 65 - QD1 LEU 63 OK 17 81 - 21 - 8129/4.8=7, ~746=3...(6) HA LYS 65 - QD2 LEU 6 poor 6 61 - 10 - 4991/9767=2, ~746=2, 2095/9701=1 HA LEU 68 - QD1 LEU 45 lone 3 36 - 8 - 3.6/276=2, 8146/3.1=1, ~420=1 HB2 SER 58 - QD1 LEU 45 lone 2 36 - 7 - HA LYS 65 - QD1 LEU 45 lone 1 24 - 3 - Peak 11547 from cnoeabs.peaks (3.77, 0.71, 22.93 ppm; 5.05 A): 2 out of 2 assignments used, quality = 0.77: HB2 SER 58 + QD2 LEU 63 OK 67 97 - 69 - ~11558=18, 9596/3.1=14...(12) HA LEU 68 + QD2 LEU 63 OK 31 98 - 32 - 3.0/9756=9, 4.0/9766=8...(7) Peak 11548 from cnoeabs.peaks (3.06, 4.45, 59.97 ppm; 4.62 A): 0 out of 0 assignments used, low quality = 0.00: Peak 11549 from cnoeabs.peaks (2.20, 2.20, 33.17 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * HB3 MET 1 + HB3 MET 1 OK 100 100 - 100 HB2 MET 67 + HB2 MET 67 OK 58 58 - 100 Peak 11550 from cnoeabs.peaks (2.20, 2.03, 33.17 ppm; 2.72 A): 1 out of 1 assignment used, quality = 1.00: HB3 MET 1 + HB2 MET 1 OK 100 100 - 100 - 1.8=100 Peak 11551 from cnoeabs.peaks (2.03, 2.03, 33.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HB2 MET 1 + HB2 MET 1 OK 100 100 - 100 Peak 11552 from cnoeabs.peaks (1.62, 1.08, 17.85 ppm; 4.35 A): 3 out of 9 assignments used, quality = 0.64: HD3 LYS 77 + QG2 ILE 3 OK 31 99 - 31 - 6.0/9856=10, 11522/3.0=9...(5) HD2 LYS 77 + QG2 ILE 3 OK 31 99 - 31 - 6.0/9856=10, 11522/3.0=9...(5) HB3 LEU 127 + QG2 ILE 3 OK 24 98 - 24 - 11522/3.0=8...(5) HB3 LEU 64 - QG2 ILE 3 poor 9 92 - 10 - 11522/3.0=2, ~9014=2...(5) HG LEU 63 - QG2 ILE 3 lone 8 100 - 8 - 11522/3.0=2, 3.7/9005=2...(4) HB2 LEU 82 - QG2 ILE 3 lone 7 100 - 7 - 4674/4677=2, 3.1/9007=1 HB ILE 116 - QG2 ILE 3 lone 3 90 - 4 - 11522/3.0=1 HG3 LYS 40 - QG2 ILE 3 lone 2 100 - 2 - HG2 LYS 16 - QG2 ILE 3 lone 1 96 - 1 - Peak 11554 from cnoeabs.peaks (4.73, 0.68, 25.98 ppm; 5.56 A): 0 out of 8 assignments used, low quality = 0.23: HA ARG 30 - QD2 LEU 4 OK 23 97 - 24 - 2.9/9254=7, 3.0/9257=7...(5) HA THR 9 - QD1 LEU 55 poor 8 52 - 15 - 11585/2.1=4, ~9117=3...(5) HA THR 9 - QD2 LEU 4 lone 6 98 - 6 - ~9118=2, ~10755=1, ~9109=1 HA ARG 30 - QD1 LEU 55 lone 4 51 - 8 - 2.9/9254=3, 3.0/9257=2 HA ASP 109 - QD2 LEU 4 lone 1 99 - 1 - HA ASN 24 - QD2 LEU 4 lone 1 73 - 1 - HA ASP 109 - QD1 LEU 55 lone 1 53 - 1 - HA ASN 24 - QD1 LEU 55 lone 0 34 - 1 - Peak 11555 from cnoeabs.peaks (3.76, 0.68, 25.98 ppm; 6.17 A): 0 out of 4 assignments used, low quality = 0.00: HA LEU 68 - QD2 LEU 4 lone 6 77 - 8 - 9760=1, 9741/9040=1, 9741/9040=1 HB2 SER 58 - QD2 LEU 4 lone 4 73 - 5 - 9596/10737=1 HB2 SER 58 - QD1 LEU 55 lone 3 34 - 9 - ~9602=3, 9597/3.1=1 HA LEU 68 - QD1 LEU 55 lone 1 36 - 3 - Peak 11556 from cnoeabs.peaks (2.65, 0.68, 26.27 ppm; 5.84 A): 3 out of 14 assignments used, quality = 0.84: HB2 TYR 27 + QD1 LEU 55 OK 72 84 - 86 - ~4583=32, 2.5/9523=28...(10) HB2 TYR 76 + QD2 LEU 4 OK 36 38 - 95 - ~9037=41, ~9045=33...(16) HG2 MET 42 + QD2 LEU 4 OK 12 52 - 23 - 10732/2.1=7, ~10736=7...(4) HB2 TYR 27 - QD2 LEU 4 poor 8 40 - 20 - 10732/2.1=6, 2.5/9523=4...(5) HB3 ASP 84 - QD1 LEU 55 lone 5 81 - 6 - 11697/3.1=3, ~11698=2 HB2 TYR 76 - QD1 LEU 55 lone 4 81 - 5 - HG2 MET 42 - QD1 LEU 55 lone 4 98 - 4 - HB3 ASP 12 - QD2 LEU 4 lone 2 49 - 4 - ~9155=1 HB2 ASP 12 - QD2 LEU 4 lone 2 49 - 4 - ~9155=1 HB2 ASP 12 - QD1 LEU 55 lone 2 96 - 2 - HB3 ASP 12 - QD1 LEU 55 lone 2 96 - 2 - HB3 ASP 36 - QD1 LEU 55 lone 1 87 - 2 - HB3 ASP 36 - QD2 LEU 4 lone 1 42 - 3 - HB3 ASP 84 - QD2 LEU 4 lone 1 38 - 2 - Peak 11557 from cnoeabs.peaks (1.25, 0.68, 26.27 ppm; 4.01 A): 3 out of 12 assignments used, quality = 0.52: HG12 ILE 54 + QD2 LEU 4 OK 29 55 - 54 - 11235/2.1=21...(8) HG13 ILE 7 + QD1 LEU 55 OK 23 100 - 23 - ~11136=8, ~11617=5...(7) HG12 ILE 54 + QD1 LEU 55 OK 11 100 - 11 - 4.6/11358=6, 4393/2.1=2, ~4407=1 HG13 ILE 7 - QD2 LEU 4 lone 2 55 - 4 - 11235/2.1=2 HD3 LYS 53 - QD2 LEU 4 lone 2 34 - 7 - 11235/2.1=4, 321/11714=2 HD2 LYS 2 - QD2 LEU 4 lone 2 48 - 5 - 11235/2.1=2 HD3 LYS 53 - QD1 LEU 55 lone 2 73 - 3 - 321/11358=1 HD2 LYS 2 - QD1 LEU 55 lone 1 94 - 2 - QG2 THR 108 - QD1 LEU 55 lone 1 99 - 1 - HG3 LYS 61 - QD2 LEU 4 lone 1 53 - 2 - HG3 LYS 61 - QD1 LEU 55 lone 1 99 - 1 - QG2 THR 108 - QD2 LEU 4 lone 1 54 - 1 - Peak 11558 from cnoeabs.peaks (5.10, 0.73, 25.37 ppm; 4.51 A): 2 out of 2 assignments used, quality = 0.53: HG SER 58 + QD1 LEU 63 OK 41 76 - 55 - ~11547=13, 9630/9649=8...(13) HG SER 58 + QD2 LEU 6 OK 21 96 - 21 - ~11562=7, ~9600=3...(8) Peak 11559 from cnoeabs.peaks (9.19, 0.73, 25.37 ppm; 4.35 A): 2 out of 2 assignments used, quality = 0.56: H ILE 56 + QD2 LEU 6 OK 46 90 - 51 - 9535/3.9=24, 9086/5.0=19...(9) H ILE 56 + QD1 LEU 63 OK 18 69 - 26 - 4.6/11706=6, 4.6/11705=5...(7) Peak 11560 from cnoeabs.peaks (8.40, 0.71, 25.51 ppm; 5.75 A): 3 out of 3 assignments used, quality = 0.78: H MET 67 + QD1 LEU 6 OK 68 96 - 71 - 4.0/11564=20...(13) H ASP 36 + QD1 LEU 6 OK 25 81 - 32 - 3.6/9338=9, 4.4/10797=7...(8) H LYS 123 + QD1 LEU 6 OK 11 100 - 11 - 10613/3.1=3, 4.6/11561=1 Peak 11561 from cnoeabs.peaks (8.61, 0.71, 25.51 ppm; 5.36 A): 2 out of 8 assignments used, quality = 0.70: H LEU 80 + QD1 LEU 6 OK 61 84 - 72 - 3.0/9067=41, ~10671=20...(9) H ASN 8 + QD1 LEU 6 OK 23 57 - 40 - 4.7/7326=31, ~9100=4...(5) H GLN 85 - QD1 LEU 6 lone 7 100 - 7 - 4.0/11564=2, 5.0/11563=1 H LYS 49 - QD1 LEU 6 lone 6 97 - 6 - 4.8/2482=1, 4.8/2482=1 H ALA 124 - QD1 LEU 6 lone 5 84 - 6 - 4.6/11560=3, 784/11560=1 H ILE 71 - QD1 LEU 6 lone 5 73 - 7 - 2117/11562=4 H LYS 94 - QD1 LEU 6 lone 2 96 - 2 - H THR 108 - QD1 LEU 6 lone 1 92 - 2 - Peak 11562 from cnoeabs.peaks (3.77, 0.71, 25.51 ppm; 3.99 A): 2 out of 2 assignments used, quality = 0.51: HA LEU 68 + QD1 LEU 6 OK 41 84 - 49 - 4.0/11565=26...(6) HB2 SER 58 + QD1 LEU 6 OK 16 81 - 20 - ~11558=5, 9600=4...(5) Peak 11563 from cnoeabs.peaks (2.39, 0.71, 25.51 ppm; 5.20 A): 2 out of 8 assignments used, quality = 0.86: HG3 MET 67 + QD1 LEU 6 OK 78 100 - 78 - 3.0/11564=21...(18) HG2 GLU 66 + QD1 LEU 6 OK 38 100 - 38 - 5.0/11560=14...(7) HG3 GLN 85 - QD1 LEU 6 lone 7 87 - 8 - 3.0/11564=2, 5.0/11561=1 HG2 GLN 85 - QD1 LEU 6 lone 7 81 - 8 - 3.0/11564=2, 5.0/11561=1 HG2 GLN 122 - QD1 LEU 6 lone 2 84 - 3 - HG2 GLN 25 - QD1 LEU 6 lone 2 92 - 2 - HG2 GLU 98 - QD1 LEU 6 lone 2 73 - 3 - HG3 GLN 62 - QD1 LEU 6 lone 2 61 - 3 - Peak 11564 from cnoeabs.peaks (2.04, 0.71, 25.51 ppm; 4.17 A): 2 out of 17 assignments used, quality = 0.66: HB3 MET 67 + QD1 LEU 6 OK 54 94 - 58 - 3.0/11563=12...(16) HB2 GLU 66 + QD1 LEU 6 OK 27 100 - 27 - 4.1/11560=10...(8) HB3 GLN 85 - QD1 LEU 6 lone 6 100 - 5 - 3.0/11563=1, 4.0/11561=1 HB VAL 117 - QD1 LEU 6 lone 5 97 - 5 - 4729/9069=1 HB2 MET 1 - QD1 LEU 6 lone 2 92 - 3 - HB3 GLN 100 - QD1 LEU 6 lone 2 96 - 2 - HB2 GLU 48 - QD1 LEU 6 lone 2 100 - 2 - HB3 GLU 48 - QD1 LEU 6 lone 2 100 - 2 - HB2 GLU 92 - QD1 LEU 6 lone 2 84 - 2 - HB2 GLU 89 - QD1 LEU 6 lone 2 100 - 2 - HB3 GLU 89 - QD1 LEU 6 lone 2 100 - 2 - HB3 GLU 98 - QD1 LEU 6 lone 1 84 - 2 - HB3 GLU 87 - QD1 LEU 6 lone 1 100 - 1 - HG3 GLU 52 - QD1 LEU 6 lone 1 99 - 1 - HB2 GLU 47 - QD1 LEU 6 lone 1 73 - 1 - HB2 GLN 25 - QD1 LEU 6 lone 1 61 - 1 - HB3 GLU 111 - QD1 LEU 6 lone 0 70 - 1 - Peak 11565 from cnoeabs.peaks (0.37, 0.71, 25.51 ppm; 3.29 A): 0 out of 2 assignments used, low quality = 0.41: QD2 LEU 68 - QD1 LEU 6 OK 41 90 - 46 - 9767/2.1=13...(9) QD1 ILE 97 - QD1 LEU 6 lone 2 92 - 2 - Peak 11566 from cnoeabs.peaks (0.62, 1.51, 44.53 ppm; 5.03 A): 3 out of 5 assignments used, quality = 0.80: QG1 VAL 78 + HB2 LEU 6 OK 53 100 - 53 - 9888/3.9=23...(10) QD1 ILE 5 + HB2 LEU 6 OK 51 97 - 53 - 11567/3.0=22, 21/3.9=12...(9) QD1 ILE 18 + HB2 LEU 6 OK 12 99 - 12 - 11567/3.0=4, 21/3.9=3...(4) QD1 ILE 54 - HB2 LEU 6 poor 7 65 - 11 - 21/3.9=2, ~10950=2, ~2449=1 HG13 ILE 15 - HB2 LEU 6 lone 6 61 - 9 - 2.1/10953=2, ~10954=1...(4) Peak 11567 from cnoeabs.peaks (0.61, 1.52, 27.91 ppm; 3.96 A): 2 out of 3 assignments used, quality = 0.50: QD1 ILE 5 + HG LEU 6 OK 33 92 - 36 - 3.2/11537=12...(8) QG1 VAL 78 + HG LEU 6 OK 25 100 - 25 - 9888/5.1=11, 11566/3.0=8...(5) QD1 ILE 18 - HG LEU 6 lone 6 100 - 6 - 11566/3.0=2, 21/5.1=1 Peak 11568 from cnoeabs.peaks (1.48, 0.90, 24.86 ppm; 3.59 A): 0 out of 14 assignments used, low quality = 0.39: HG2 LYS 106 - QD1 LEU 90 OK 39 77 - 51 - 3.9/11574=15...(10) HB3 LEU 38 - QD1 LEU 90 lone 7 81 - 9 - 3.8/11577=3, 2.9/3521=2...(4) HG2 LYS 39 - QD1 LEU 90 lone 3 65 - 4 - 11038/2.1=1 HG3 LYS 20 - QD1 LEU 90 lone 1 100 - 1 - HG12 ILE 7 - QD1 LEU 90 lone 1 73 - 1 - HG3 ARG 118 - QD1 LEU 90 lone 1 96 - 1 - HB3 LEU 6 - QD1 LEU 90 lone 1 70 - 1 - HG3 LYS 49 - QD1 LEU 90 lone 1 70 - 1 - HG2 LYS 49 - QD1 LEU 90 lone 1 70 - 1 - HG3 LYS 73 - QD1 LEU 90 lone 1 100 - 1 - HB3 LEU 45 - QD1 LEU 90 lone 0 90 - 1 - HB2 LEU 74 - QD1 LEU 90 lone 0 94 - 0 - HD2 LYS 53 - QD1 LEU 90 lone 0 99 - 0 - HG12 ILE 57 - QD1 LEU 90 lone 0 77 - 0 - Peak 11569 from cnoeabs.peaks (2.29, 0.90, 24.86 ppm; 4.59 A): 3 out of 10 assignments used, quality = 0.80: HG2 GLU 87 + QD1 LEU 90 OK 50 96 - 52 - 4.0/11493=19, ~10056=16...(8) HG3 GLU 87 + QD1 LEU 90 OK 50 96 - 52 - 4.0/11493=19, ~10056=16...(8) HG3 GLU 91 + QD1 LEU 90 OK 21 100 - 21 - 5841/4.6=19, ~11129=1 HB2 GLU 37 - QD1 LEU 90 lone 5 65 - 8 - 4.7/11577=4, 3.0/11493=2 HG2 GLU 111 - QD1 LEU 90 lone 5 100 - 4 - 5.2/11577=1 HB2 MET 121 - QD1 LEU 90 lone 4 100 - 4 - 4.6/5803=2, 1602/4.6=1 HB3 ASN 8 - QD1 LEU 90 lone 4 81 - 5 - 9092/11306=1, 4.6/5803=1 HG2 GLU 47 - QD1 LEU 90 lone 4 96 - 4 - 1602/4.6=2 HG3 GLU 111 - QD1 LEU 90 lone 3 65 - 4 - 5.2/11577=1 HG2 GLU 69 - QD1 LEU 90 lone 2 81 - 3 - Peak 11570 from cnoeabs.peaks (2.65, 0.90, 24.86 ppm; 3.62 A): 1 out of 7 assignments used, quality = 0.53: HB3 ASP 84 + QD1 LEU 90 OK 53 87 - 61 - ~11571=17, 10025/2.1=11...(11) HG2 MET 42 - QD1 LEU 90 lone 8 99 - 8 - 9421=2, 1.8/9423=1, ~9419=1 HB3 ASP 36 - QD1 LEU 90 lone 1 92 - 1 - HB2 TYR 27 - QD1 LEU 90 lone 0 90 - 1 - HB2 TYR 76 - QD1 LEU 90 lone 0 87 - 0 - HB2 ASP 12 - QD1 LEU 90 lone 0 92 - 0 - HB3 ASP 12 - QD1 LEU 90 lone 0 92 - 0 - Peak 11571 from cnoeabs.peaks (2.60, 0.88, 24.74 ppm; 4.40 A): 1 out of 2 assignments used, quality = 0.77: HB2 ASP 84 + QD2 LEU 90 OK 77 94 - 82 - ~11570=26, 1.8/10025=19...(10) HG3 MET 1 - QD2 LEU 90 lone 1 99 - 1 - Peak 11572 from cnoeabs.peaks (2.96, 0.90, 24.86 ppm; 4.33 A): 2 out of 12 assignments used, quality = 0.86: HE3 LYS 106 + QD1 LEU 90 OK 63 99 - 64 - 3.6/11568=23...(15) HE2 LYS 106 + QD1 LEU 90 OK 63 98 - 64 - 3.6/11568=23...(15) HE2 LYS 20 - QD1 LEU 90 lone 3 98 - 3 - HE3 LYS 20 - QD1 LEU 90 lone 3 98 - 3 - HD3 ARG 118 - QD1 LEU 90 lone 1 84 - 2 - HE3 LYS 40 - QD1 LEU 90 lone 1 96 - 1 - HE2 LYS 40 - QD1 LEU 90 lone 1 92 - 1 - HB3 PHE 51 - QD1 LEU 90 lone 1 94 - 1 - HE3 LYS 73 - QD1 LEU 90 lone 1 61 - 1 - HB2 ASN 24 - QD1 LEU 90 lone 1 94 - 1 - HB3 ASN 24 - QD1 LEU 90 lone 1 94 - 1 - HE3 LYS 43 - QD1 LEU 90 lone 1 70 - 1 - Peak 11573 from cnoeabs.peaks (4.04, 0.88, 24.74 ppm; 4.08 A): 5 out of 13 assignments used, quality = 0.93: HA GLU 87 + QD2 LEU 90 OK 82 100 - 83 - 8165/3.1=27, 8167/3.1=25...(11) HA GLU 66 + QD2 LEU 90 OK 25 87 - 29 - 2.9/9696=6, 3.7/11067=5...(8) HA GLU 119 + QD2 LEU 90 OK 20 90 - 23 - 3.6/11579=17, 8289/4.4=2...(4) HA PHE 120 + QD2 LEU 90 OK 19 73 - 26 - 3.0/11579=19...(4) HA SER 35 + QD2 LEU 90 OK 13 96 - 14 - 9337=5, 3.0/10798=2...(5) HA GLU 92 - QD2 LEU 90 lone 8 98 - 8 - 2135/4.4=3, 8166/3.1=2 HA LYS 40 - QD2 LEU 90 lone 4 73 - 6 - 3.0/9392=3 HA LYS 123 - QD2 LEU 90 lone 3 84 - 4 - HB3 SER 126 - QD2 LEU 90 lone 3 96 - 3 - HB2 SER 126 - QD2 LEU 90 lone 2 77 - 3 - HA GLU 13 - QD2 LEU 90 lone 2 87 - 2 - HA GLU 69 - QD2 LEU 90 lone 2 70 - 2 - HA2 GLY 125 - QD2 LEU 90 lone 1 81 - 2 - Peak 11574 from cnoeabs.peaks (5.58, 0.90, 24.86 ppm; 4.92 A): 1 out of 1 assignment used, quality = 0.69: HA LYS 106 + QD1 LEU 90 OK 69 100 - 69 - 3.9/11568=26...(13) Peak 11576 from cnoeabs.peaks (7.19, 0.90, 24.86 ppm; 5.20 A): 0 out of 2 assignments used, low quality = 0.37: HE22 GLN 83 - QD1 LEU 90 OK 21 92 - 23 - 6.9/11306=14...(4) HE21 GLN 83 - QD1 LEU 90 OK 20 90 - 23 - 6.9/11306=14...(4) Peak 11577 from cnoeabs.peaks (8.21, 0.90, 24.86 ppm; 4.29 A): 3 out of 4 assignments used, quality = 0.81: H ASP 84 + QD1 LEU 90 OK 64 99 - 65 - 4.1/11570=24...(11) H GLU 89 + QD1 LEU 90 OK 34 90 - 38 - 4.6/1595=19, 2138/4.6=11...(4) H LEU 38 + QD1 LEU 90 OK 21 97 - 22 - 1237/2.1=5, 3.8/11568=4...(8) H GLU 111 - QD1 LEU 90 lone 7 100 - 7 - 560/4.4=2, 2138/4.6=1 Peak 11578 from cnoeabs.peaks (8.57, 0.88, 24.74 ppm; 4.42 A): 1 out of 2 assignments used, quality = 0.49: H VAL 107 + QD2 LEU 90 OK 49 87 - 56 - 3.6/10072=24...(12) H ASP 12 - QD2 LEU 90 lone 0 61 - 1 - Peak 11579 from cnoeabs.peaks (8.83, 0.88, 24.74 ppm; 5.51 A): 0 out of 1 assignment used, low quality = 0.39: H PHE 120 - QD2 LEU 90 OK 39 97 - 40 - 11418/11578=14...(8) Peak 11580 from cnoeabs.peaks (0.61, 1.46, 27.10 ppm; 3.89 A): 3 out of 3 assignments used, quality = 0.77: QG1 VAL 78 + HG12 ILE 7 OK 57 99 - 58 - 11581/2.1=22...(11) QD1 ILE 5 + HG12 ILE 7 OK 28 81 - 35 - 11581/2.1=10...(9) QD1 ILE 18 + HG12 ILE 7 OK 27 100 - 27 - 11581/2.1=11...(6) Peak 11581 from cnoeabs.peaks (0.61, 0.77, 14.16 ppm; 3.18 A): 3 out of 3 assignments used, quality = 0.63: QG1 VAL 78 + QD1 ILE 7 OK 42 96 - 44 - 11580/2.1=12...(10) QD1 ILE 18 + QD1 ILE 7 OK 20 98 - 21 - 11582/3.3=6, 11580/2.1=6...(6) QD1 ILE 5 + QD1 ILE 7 OK 19 70 - 27 - 11580/2.1=6, 11582/3.3=5...(6) Peak 11582 from cnoeabs.peaks (0.61, 0.74, 16.61 ppm; 3.34 A): 3 out of 3 assignments used, quality = 0.58: QG1 VAL 78 + QG2 ILE 7 OK 36 96 - 37 - 11581/3.3=13...(10) QD1 ILE 18 + QG2 ILE 7 OK 20 98 - 20 - 11581/3.3=6, 11580/3.2=5...(5) QD1 ILE 5 + QG2 ILE 7 OK 18 70 - 25 - 11581/3.3=6, 11580/3.2=5...(8) Peak 11583 from cnoeabs.peaks (0.86, 0.74, 16.61 ppm; 2.93 A): 4 out of 9 assignments used, quality = 0.77: QG1 VAL 32 + QG2 ILE 7 OK 42 98 - 43 - 10929/2.1=10...(11) QG2 THR 9 + QG2 ILE 7 OK 37 100 - 38 - 9117=11, 2.1/9108=9...(7) QG2 VAL 117 + QG2 ILE 7 OK 26 99 - 26 - 11584/3.3=4, ~9077=4...(9) HG13 ILE 5 + QG2 ILE 7 OK 14 77 - 18 - 2.1/11582=6, ~10941=2...(6) HG13 ILE 57 - QG2 ILE 7 lone 10 100 - 10 - 9073/2.1=2, 10672/4.0=1...(4) QG2 VAL 107 - QG2 ILE 7 lone 9 97 - 10 - 11584/3.3=2, 11618/3.2=1...(5) QD1 LEU 14 - QG2 ILE 7 lone 5 100 - 5 - QG2 VAL 22 - QG2 ILE 7 lone 4 97 - 4 - 11118=1 QG2 ILE 15 - QG2 ILE 7 lone 3 81 - 4 - Peak 11584 from cnoeabs.peaks (0.87, 0.77, 14.16 ppm; 2.86 A): 4 out of 9 assignments used, quality = 0.73: QG1 VAL 32 + QD1 ILE 7 OK 43 100 - 44 - 11618/2.1=8, 10930/2.1=7...(13) QG2 VAL 117 + QD1 ILE 7 OK 26 100 - 26 - 3.2/9077=6, 11618/2.1=5...(9) QG2 THR 9 + QD1 ILE 7 OK 26 99 - 27 - 9115/3.2=6, 9117/3.3=6...(6) QG2 VAL 107 + QD1 ILE 7 OK 11 100 - 11 - 11618/2.1=2...(5) HG13 ILE 57 - QD1 ILE 7 lone 6 96 - 6 - 9073/3.2=1, 11583/3.3=1 QD1 LEU 14 - QD1 ILE 7 lone 5 96 - 5 - QG2 VAL 22 - QD1 ILE 7 lone 2 84 - 3 - QD2 LEU 90 - QD1 ILE 7 lone 2 77 - 2 - QG2 VAL 104 - QD1 ILE 7 lone 1 70 - 1 - Peak 11585 from cnoeabs.peaks (0.73, 4.74, 60.69 ppm; 3.88 A): 4 out of 11 assignments used, quality = 0.57: QG2 ILE 7 + HA THR 9 OK 34 90 - 38 - 9082/3.0=15, 9117/3.2=11...(8) HG13 ILE 18 + HA THR 9 OK 17 99 - 17 - 9117/3.2=5, 9108/3.0=4...(6) QD1 LEU 63 + HA THR 9 OK 14 96 - 14 - 9117/3.2=4, 9108/3.0=4...(6) QG2 ILE 18 + HA THR 9 OK 10 77 - 13 - 9117/3.2=4, ~10975=3...(5) QD2 LEU 55 - HA THR 9 lone 10 100 - 10 - 9117/3.2=3, 2.1/11554=3 QG2 ILE 54 - HA THR 9 lone 8 84 - 9 - 9108/3.0=2, 9488=2...(5) QG2 VAL 78 - HA THR 9 lone 4 96 - 4 - 9117/3.2=2 QD2 LEU 6 - HA THR 9 lone 3 100 - 3 - 9117/3.2=1 QD2 LEU 45 - HA THR 9 lone 3 96 - 3 - 9117/3.2=1 QG1 VAL 117 - HA THR 9 lone 2 87 - 3 - QD1 LEU 6 - HA THR 9 lone 1 65 - 2 - Peak 11591 from cnoeabs.peaks (6.99, 6.72, 131.81 ppm; 5.97 A): 1 out of 1 assignment used, quality = 1.00: HZ PHE 79 + QD PHE 79 OK 100 100 - 100 - 3.8=100 Peak 11594 from cnoeabs.peaks (7.14, 1.65, 29.50 ppm; 4.56 A): 3 out of 12 assignments used, quality = 0.70: QE PHE 93 + HD2 LYS 65 OK 42 98 - 43 - ~4683=10, 4676/3.0=7...(9) QE PHE 93 + HD3 LYS 65 OK 42 97 - 44 - ~4683=10, 4676/3.0=7...(9) QE PHE 93 + HD2 LYS 115 OK 10 96 - 11 - ~10463=2, 2.2/4740=2...(6) QE PHE 93 - HD3 LYS 115 poor 10 93 - 10 - ~10463=2, 2.2/4740=2...(6) QE PHE 120 - HD3 LYS 65 lone 7 98 - 8 - 4727/3.0=2, ~11057=1, ~4715=1 QE PHE 120 - HD2 LYS 65 lone 7 99 - 8 - 4727/3.0=2, ~11057=1...(4) QE PHE 120 - HD2 LYS 115 lone 1 97 - 1 - QE PHE 120 - HD3 LYS 115 lone 1 94 - 1 - QD PHE 51 - HD3 LYS 65 lone 1 64 - 1 - QD PHE 51 - HD2 LYS 65 lone 1 65 - 1 - QD PHE 51 - HD2 LYS 115 lone 0 63 - 1 - QD PHE 51 - HD3 LYS 115 lone 0 59 - 1 - Peak 11595 from cnoeabs.peaks (6.89, 1.65, 29.50 ppm; 5.78 A): 0 out of 20 assignments used, low quality = 0.39: HE22 GLN 85 - HD2 LYS 115 OK 13 94 - 14 - 3.5/11468=3, 3.5/11468=3...(8) HE22 GLN 85 - HD3 LYS 115 OK 12 90 - 14 - 3.5/11468=3, 3.5/11468=3...(8) HE22 GLN 85 - HD2 LYS 65 OK 10 96 - 11 - 3.5/11468=2, 3.5/11468=2 HE22 GLN 85 - HD3 LYS 65 OK 10 94 - 11 - 3.5/11468=2, 3.5/11468=2 HD22 ASN 50 - HD2 LYS 115 lone 5 92 - 6 - 5.7/11596=3 HD22 ASN 50 - HD3 LYS 115 lone 5 88 - 6 - 5.7/11596=3 HD22 ASN 50 - HD2 LYS 65 lone 4 94 - 4 - 5.7/11596=2 HE22 GLN 62 - HD3 LYS 65 lone 4 99 - 4 - HD22 ASN 50 - HD3 LYS 65 lone 4 92 - 4 - 5.7/11596=2 H TYR 102 - HD2 LYS 115 lone 3 99 - 3 - 10151/11132=1 H TYR 102 - HD3 LYS 115 lone 3 95 - 3 - 10151/11132=1 HE22 GLN 62 - HD2 LYS 65 lone 3 100 - 3 - HE22 GLN 62 - HD2 LYS 115 lone 2 99 - 2 - H TYR 102 - HD2 LYS 65 lone 2 100 - 2 - H TYR 102 - HD3 LYS 65 lone 2 99 - 2 - HE22 GLN 62 - HD3 LYS 115 lone 2 95 - 2 - HE22 GLN 25 - HD2 LYS 115 lone 2 87 - 2 - HE22 GLN 25 - HD2 LYS 65 lone 2 90 - 2 - HE22 GLN 25 - HD3 LYS 65 lone 2 88 - 2 - HE22 GLN 25 - HD3 LYS 115 lone 1 83 - 2 - Peak 11596 from cnoeabs.peaks (8.71, 1.65, 29.50 ppm; 4.97 A): 0 out of 16 assignments used, low quality = 0.28: H ARG 105 - HD2 LYS 115 OK 15 94 - 16 - 10269/2.9=10, 665/3.7=3 H ARG 105 - HD3 LYS 115 OK 15 90 - 16 - 10269/2.9=10, 665/3.7=3 H ASN 50 - HD2 LYS 115 lone 9 90 - 10 - 11181/6.0=3, 3.6/4104=1...(4) H ASN 50 - HD3 LYS 115 lone 8 85 - 10 - 11181/6.0=3, 3.6/4104=1 H ASN 50 - HD2 LYS 65 lone 6 92 - 6 - 3.6/4104=1, 4.4/4125=1 H ASN 50 - HD3 LYS 65 lone 6 90 - 6 - 3.6/4104=1, 4.4/4125=1 H ASP 110 - HD2 LYS 65 lone 3 70 - 4 - H ASP 110 - HD3 LYS 65 lone 3 68 - 4 - H ARG 105 - HD3 LYS 65 lone 3 94 - 3 - H ASP 110 - HD2 LYS 115 lone 3 67 - 4 - 2180/10397=1 H ARG 105 - HD2 LYS 65 lone 3 96 - 3 - H GLU 41 - HD2 LYS 65 lone 2 96 - 3 - H GLU 41 - HD3 LYS 65 lone 2 94 - 2 - H ASP 110 - HD3 LYS 115 lone 2 63 - 4 - H GLU 41 - HD2 LYS 115 lone 2 94 - 2 - H GLU 41 - HD3 LYS 115 lone 2 90 - 2 - Peak 11597 from cnoeabs.peaks (2.96, 3.80, 59.88 ppm; 6.20 A): 1 out of 15 assignments used, quality = 0.83: HD3 ARG 118 + HA LYS 115 OK 83 94 - 89 - 1.8/11598=45...(11) HB3 ASN 24 - HA LYS 115 lone 7 99 - 7 - 10883/3.6=3, 10883/8261=2 HB2 ASN 24 - HA LYS 115 lone 7 99 - 7 - 10883/3.6=3, 10883/8261=2 HE2 LYS 20 - HA LYS 115 lone 6 100 - 6 - HE3 LYS 20 - HA LYS 115 lone 6 100 - 6 - HE3 LYS 106 - HA LYS 115 lone 5 94 - 5 - 3.0/6703=1, 3.0/6703=1 HE2 LYS 106 - HA LYS 115 lone 5 92 - 5 - 3.0/6703=1, 3.0/6703=1 HE3 LYS 40 - HA LYS 115 lone 4 99 - 4 - HE2 LYS 40 - HA LYS 115 lone 4 98 - 4 - HE3 LYS 73 - HA LYS 115 lone 3 77 - 4 - HE3 LYS 43 - HA LYS 115 lone 3 84 - 4 - HE2 LYS 39 - HA LYS 115 lone 3 70 - 4 - HE3 LYS 39 - HA LYS 115 lone 3 61 - 4 - HE2 LYS 43 - HA LYS 115 lone 2 65 - 4 - HB3 PHE 51 - HA LYS 115 lone 2 99 - 2 - Peak 11598 from cnoeabs.peaks (3.16, 3.80, 59.88 ppm; 5.84 A): 1 out of 1 assignment used, quality = 0.75: HD2 ARG 118 + HA LYS 115 OK 75 90 - 83 - 3.7/8264=34...(15) Peak 11600 from cnoeabs.peaks (8.57, 0.79, 24.93 ppm; 4.43 A): 1 out of 2 assignments used, quality = 0.45: H VAL 107 + QD1 LEU 81 OK 45 81 - 56 - 3.6/11401=30...(8) H ASP 12 - QD1 LEU 81 lone 1 70 - 1 - Peak 11601 from cnoeabs.peaks (8.11, 0.79, 24.93 ppm; 4.79 A): 3 out of 4 assignments used, quality = 0.89: H VAL 117 + QD1 LEU 81 OK 70 94 - 75 - 4.3/9958=36, 9947/2.1=19...(9) H ALA 113 + QD1 LEU 81 OK 52 98 - 53 - 9947/2.1=13, 3.0/11606=9...(14) H PHE 93 + QD1 LEU 81 OK 24 94 - 26 - 6.5/11603=6, 9947/2.1=5...(8) H SER 99 - QD1 LEU 81 lone 2 84 - 2 - Peak 11602 from cnoeabs.peaks (8.02, 0.79, 24.93 ppm; 4.72 A): 3 out of 7 assignments used, quality = 0.79: H ILE 116 + QD1 LEU 81 OK 58 77 - 76 - 4.0/9958=38...(13) H LYS 65 + QD1 LEU 81 OK 35 61 - 57 - 3.0/11606=12...(16) H ARG 118 + QD1 LEU 81 OK 22 97 - 22 - 4.7/11601=11, 746/2.1=3...(6) H SER 72 - QD1 LEU 81 lone 6 99 - 6 - 2123/9759=2, 9747/11608=1 H ASP 109 - QD1 LEU 81 lone 3 70 - 5 - 10352/11607=2 H GLY 26 - QD1 LEU 81 lone 2 100 - 2 - H VAL 22 - QD1 LEU 81 lone 1 65 - 2 - Peak 11603 from cnoeabs.peaks (7.14, 0.79, 24.93 ppm; 3.83 A): 2 out of 3 assignments used, quality = 0.91: QE PHE 120 + QD1 LEU 81 OK 83 100 - 83 - 4739/3.9=18, 2.2/4716=17...(16) QE PHE 93 + QD1 LEU 81 OK 50 100 - 50 - 11385/2.1=8, 2.2/4685=8...(14) QD PHE 51 - QD1 LEU 81 lone 5 84 - 6 - 11385/2.1=2, 9944/3.1=1 Peak 11604 from cnoeabs.peaks (7.15, 0.78, 26.01 ppm; 4.78 A): 2 out of 2 assignments used, quality = 0.70: QE PHE 93 + QD1 LEU 82 OK 63 73 - 86 - 2.2/11398=37...(12) QE PHE 120 + QD1 LEU 82 OK 19 77 - 24 - 9981/2.1=9, ~10568=3...(8) Peak 11605 from cnoeabs.peaks (5.24, 0.78, 25.50 ppm; 4.89 A): 1 out of 1 assignment used, quality = 0.88: HA VAL 104 + QD1 LEU 80 OK 88 90 - 98 - 9930/2.1=38, 9929/3.1=34...(21) Peak 11606 from cnoeabs.peaks (3.79, 0.79, 24.93 ppm; 3.60 A): 5 out of 5 assignments used, quality = 0.80: HA LYS 65 + QD1 LEU 81 OK 39 98 - 40 - 9956/2.1=9, 3.9/10805=7...(11) HA LEU 68 + QD1 LEU 81 OK 30 94 - 32 - 4.0/11608=18, 9759=7...(5) HA ALA 113 + QD1 LEU 81 OK 27 87 - 31 - 9956/2.1=7, 3.0/11601=6...(10) HA LYS 115 + QD1 LEU 81 OK 25 87 - 29 - 3.6/10478=9, 9956/2.1=7...(10) HB2 SER 58 + QD1 LEU 81 OK 12 96 - 13 - 9956/2.1=4, 1.8/9604=3...(5) Peak 11607 from cnoeabs.peaks (2.10, 0.79, 24.93 ppm; 3.30 A): 0 out of 18 assignments used, low quality = 0.35: HB VAL 107 - QD1 LEU 81 OK 35 77 - 45 - 4.0/11600=14, ~11457=9...(9) HB2 GLU 112 - QD1 LEU 81 poor 10 70 - 14 - 4.6/11601=4, 4.0/10400=2...(5) HB3 GLU 66 - QD1 LEU 81 poor 9 96 - 10 - ~11066=4, 3.0/11065=3 HB3 GLU 112 - QD1 LEU 81 poor 9 65 - 14 - 4.6/11601=4, 4.0/10400=2...(5) HB2 LEU 38 - QD1 LEU 81 lone 7 84 - 8 - 1.8/11388=2, ~11389=1 HB3 GLU 119 - QD1 LEU 81 lone 6 84 - 7 - 11199/9958=2, 11635/2.1=1 HB2 GLU 119 - QD1 LEU 81 lone 5 73 - 7 - 11199/9958=2 HB2 GLU 111 - QD1 LEU 81 lone 5 100 - 5 - 4.6/10400=2 HG3 GLN 83 - QD1 LEU 81 lone 4 73 - 5 - 3.9/5538=2, 5.0/523=1 HB3 GLU 92 - QD1 LEU 81 lone 3 98 - 3 - 4.6/11601=2 HG3 GLU 21 - QD1 LEU 81 lone 2 100 - 2 - HG2 GLU 21 - QD1 LEU 81 lone 2 99 - 2 - HB2 GLU 103 - QD1 LEU 81 lone 1 81 - 2 - HB2 GLU 21 - QD1 LEU 81 lone 1 77 - 1 - HB3 GLU 69 - QD1 LEU 81 lone 1 87 - 1 - HB2 GLU 87 - QD1 LEU 81 lone 1 97 - 1 - HB3 GLU 47 - QD1 LEU 81 lone 1 94 - 1 - HG2 GLU 52 - QD1 LEU 81 lone 1 100 - 1 - Peak 11608 from cnoeabs.peaks (0.38, 0.79, 24.93 ppm; 3.38 A): 0 out of 2 assignments used, low quality = 0.26: QD2 LEU 68 - QD1 LEU 81 OK 26 98 - 27 - 10967=10, ~9766=4...(6) QD1 ILE 97 - QD1 LEU 81 lone 7 77 - 9 - 3.0/10133=2...(3) Peak 11609 from cnoeabs.peaks (2.40, 0.73, 25.37 ppm; 5.89 A): 3 out of 18 assignments used, quality = 0.95: HG3 MET 67 + QD2 LEU 6 OK 75 100 - 76 - ~11564=18, ~9713=13...(13) HG3 MET 67 + QD1 LEU 63 OK 70 83 - 85 - 9683/2.1=18, 3.3/9725=15...(19) HG2 GLU 66 + QD1 LEU 63 OK 36 79 - 46 - 11070/4.0=13...(7) HG2 GLU 66 - QD2 LEU 6 OK 34 98 - 35 - 5.0/9701=9, ~11564=9...(6) HG3 GLN 85 - QD1 LEU 63 OK 19 76 - 24 - 11046/4.0=4, 9683/2.1=4...(8) HG2 GLN 85 - QD1 LEU 63 OK 18 72 - 24 - 11046/4.0=4, 9683/2.1=4...(8) HG3 GLN 62 - QD1 LEU 63 OK 17 58 - 29 - 5.2/9665=10, 7609/4.7=8...(6) HG2 GLN 62 - QD1 LEU 63 OK 16 55 - 29 - 5.2/9665=10, 7609/4.7=8...(6) HG3 GLN 85 - QD2 LEU 6 lone 6 96 - 7 - ~11564=2 HG2 GLN 85 - QD2 LEU 6 lone 6 92 - 6 - ~11564=2 HG3 GLN 62 - QD2 LEU 6 lone 4 77 - 5 - 5.2/9665=1 HG2 GLN 62 - QD2 LEU 6 lone 4 73 - 5 - 5.2/9665=1 HG2 GLN 122 - QD1 LEU 63 lone 3 74 - 5 - HG2 GLN 122 - QD2 LEU 6 lone 2 94 - 3 - HB2 ASP 110 - QD2 LEU 6 lone 2 61 - 3 - HG2 GLN 25 - QD1 LEU 63 lone 2 61 - 3 - HG2 GLN 25 - QD2 LEU 6 lone 2 81 - 2 - HB2 ASP 110 - QD1 LEU 63 lone 2 45 - 3 - Peak 11610 from cnoeabs.peaks (2.06, 0.73, 25.37 ppm; 4.32 A): 6 out of 42 assignments used, quality = 0.82: HB3 MET 67 + QD2 LEU 6 OK 47 94 - 50 - ~11563=9, ~9706=6...(13) HB3 MET 67 + QD1 LEU 63 OK 42 74 - 57 - 4.3/9725=10, 3.0/9719=7...(14) HB2 GLU 66 + QD1 LEU 63 OK 15 48 - 32 - 4.1/9701=7, ~11048=4...(11) HB2 GLU 66 + QD2 LEU 6 OK 14 65 - 21 - 4.1/9701=6, ~11563=4...(6) HB3 PHE 79 + QD2 LEU 6 OK 12 70 - 17 - 9066/4.8=6, ~4646=3...(5) HB VAL 117 + QD1 LEU 63 OK 10 69 - 15 - ~10521=3, ~10522=3...(6) HB3 MET 121 - QD2 LEU 6 poor 8 61 - 13 - 4.0/10589=4, 1.8/10596=2...(5) HB2 GLU 92 - QD1 LEU 63 lone 7 81 - 8 - 10909=3, ~11048=1 HB VAL 117 - QD2 LEU 6 lone 5 90 - 5 - 9066/4.8=2 HB2 GLU 13 - QD1 LEU 63 lone 5 79 - 6 - 10909=4 HB2 GLU 13 - QD2 LEU 6 lone 4 98 - 5 - 10909=3 HB3 GLU 91 - QD1 LEU 63 lone 4 69 - 5 - 10909=2, ~11663=1 HB3 GLN 85 - QD1 LEU 63 lone 3 48 - 7 - 8111/4.0=2, ~9683=1...(4) HB2 GLN 28 - QD2 LEU 6 lone 3 99 - 3 - HB2 GLU 92 - QD2 LEU 6 lone 3 99 - 3 - 10909=1 HB3 MET 121 - QD1 LEU 63 lone 2 45 - 5 - 4.0/10589=1, 1.8/10596=1 HB3 GLU 91 - QD2 LEU 6 lone 2 90 - 2 - HB3 GLN 85 - QD2 LEU 6 lone 2 65 - 3 - HB3 GLN 100 - QD2 LEU 6 lone 2 92 - 2 - HB3 GLN 100 - QD1 LEU 63 lone 2 72 - 2 - HB3 GLU 98 - QD2 LEU 6 lone 2 99 - 2 - HB2 GLN 28 - QD1 LEU 63 lone 2 82 - 2 - HB3 GLU 98 - QD1 LEU 63 lone 1 81 - 2 - HG2 GLU 119 - QD1 LEU 63 lone 1 48 - 3 - HG3 GLU 52 - QD2 LEU 6 lone 1 81 - 2 - HB2 LYS 94 - QD2 LEU 6 lone 1 87 - 1 - HG2 GLU 119 - QD2 LEU 6 lone 1 65 - 2 - HB2 GLU 47 - QD2 LEU 6 lone 1 100 - 1 - HB3 GLU 87 - QD1 LEU 63 lone 1 48 - 2 - HB2 GLU 89 - QD1 LEU 63 lone 1 48 - 2 - HB3 GLU 89 - QD1 LEU 63 lone 1 48 - 2 - HB3 GLU 87 - QD2 LEU 6 lone 1 65 - 1 - HB2 GLU 47 - QD1 LEU 63 lone 1 83 - 1 - HB3 PHE 79 - QD1 LEU 63 lone 1 51 - 2 - HB3 GLU 89 - QD2 LEU 6 lone 1 65 - 1 - HB2 GLU 89 - QD2 LEU 6 lone 1 65 - 1 - HG3 GLU 52 - QD1 LEU 63 lone 1 61 - 1 - HB2 LYS 94 - QD1 LEU 63 lone 0 67 - 1 - HB2 GLU 48 - QD2 LEU 6 lone 0 65 - 1 - HB3 GLU 48 - QD2 LEU 6 lone 0 65 - 1 - HB3 GLU 48 - QD1 LEU 63 lone 0 48 - 1 - HB2 GLU 48 - QD1 LEU 63 lone 0 48 - 1 - Peak 11611 from cnoeabs.peaks (1.66, 0.73, 25.37 ppm; 3.16 A): 0 out of 26 assignments used, low quality = 0.38: HB ILE 5 - QD2 LEU 6 OK 29 92 - 31 - 11537/2.1=10, 4.5/1047=6...(9) HG LEU 64 - QD2 LEU 6 OK 13 81 - 16 - 11537/2.1=4, 3.7/10743=2...(7) HB2 ARG 30 - QD2 LEU 6 lone 9 100 - 9 - 3.6/9263=2, 3.6/9261=2...(4) HG LEU 64 - QD1 LEU 63 poor 9 61 - 15 - 5.2/390=6, 3.0/11488=3...(5) HD3 LYS 49 - QD2 LEU 6 lone 8 100 - 8 - 11537/2.1=3, ~11537=2 HD2 LYS 49 - QD2 LEU 6 lone 8 100 - 8 - 11537/2.1=3, ~11537=2 HG LEU 114 - QD2 LEU 6 lone 6 99 - 6 - 11537/2.1=2, ~11515=1, ~11514=1 HB2 ARG 30 - QD1 LEU 63 lone 3 83 - 4 - HG LEU 114 - QD1 LEU 63 lone 2 81 - 3 - 7884/4.8=1 HD2 LYS 65 - QD1 LEU 63 lone 2 83 - 2 - HD3 LYS 65 - QD1 LEU 63 lone 2 81 - 2 - HG LEU 90 - QD1 LEU 63 lone 2 51 - 3 - HD2 LYS 65 - QD2 LEU 6 lone 1 100 - 1 - HD3 LYS 65 - QD2 LEU 6 lone 1 99 - 1 - HB ILE 5 - QD1 LEU 63 lone 1 72 - 2 - HD3 LYS 115 - QD2 LEU 6 lone 1 100 - 1 - HD2 LYS 115 - QD2 LEU 6 lone 1 100 - 1 - HD2 LYS 115 - QD1 LEU 63 lone 1 84 - 1 - HD3 LYS 115 - QD1 LEU 63 lone 1 83 - 1 - HB2 GLU 52 - QD2 LEU 6 lone 1 100 - 1 - HG LEU 90 - QD2 LEU 6 lone 1 70 - 1 - HD3 LYS 49 - QD1 LEU 63 lone 0 83 - 0 - HD2 LYS 49 - QD1 LEU 63 lone 0 83 - 0 - HG3 ARG 95 - QD1 LEU 63 lone 0 45 - 1 - HB2 GLU 52 - QD1 LEU 63 lone 0 84 - 0 - HG3 ARG 95 - QD2 LEU 6 lone 0 61 - 0 - Peak 11612 from cnoeabs.peaks (8.93, 0.73, 25.37 ppm; 4.56 A): 1 out of 2 assignments used, quality = 0.95: H ILE 7 + QD2 LEU 6 OK 95 100 - 95 - 5.0=77, 23/3.9=37...(12) H ILE 7 - QD1 LEU 63 poor 10 84 - 11 - 9086/11559=3, 3.6/2473=2, 27=2 Peak 11613 from cnoeabs.peaks (7.61, 1.75, 26.58 ppm; 5.36 A): 1 out of 1 assignment used, quality = 0.94: HE ARG 105 + HG3 ARG 105 OK 94 94 - 100 - 3.8=100 Peak 11614 from cnoeabs.peaks (7.61, 1.80, 26.58 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.81: HE ARG 105 + HG2 ARG 105 OK 81 81 - 100 - 3.8=100 Peak 11615 from cnoeabs.peaks (1.35, 5.18, 58.22 ppm; 6.20 A): 2 out of 6 assignments used, quality = 1.00: HB3 LEU 81 + HA ILE 7 OK 98 100 - 98 - 1.8/9952=38, 3.8/9085=37...(14) HG LEU 81 + HA ILE 7 OK 92 96 - 96 - 3.0/9952=34, 4.7/9085=33...(12) HG3 LYS 65 - HA ILE 7 OK 11 92 - 12 - 10805/9954=3...(5) HG3 LYS 43 - HA ILE 7 lone 4 73 - 6 - ~11344=1, ~24=1 HG2 LYS 77 - HA ILE 7 lone 3 100 - 3 - HG2 LYS 94 - HA ILE 7 lone 2 77 - 3 - Peak 11616 from cnoeabs.peaks (1.93, 5.18, 58.22 ppm; 4.49 A): 1 out of 16 assignments used, quality = 0.85: HB2 LEU 81 + HA ILE 7 OK 85 98 - 86 - 9952=27, 1.8/9953=23...(13) HB3 LYS 17 - HA ILE 7 lone 7 100 - 7 - 11475/4.1=2, 11475/11625=2 HB ILE 15 - HA ILE 7 lone 6 92 - 6 - 2.1/10745=2, ~10672=1 HB3 LYS 65 - HA ILE 7 lone 4 96 - 4 - HB2 LYS 65 - HA ILE 7 lone 4 94 - 4 - HB2 LYS 115 - HA ILE 7 lone 2 100 - 2 - HB3 LYS 115 - HA ILE 7 lone 2 94 - 2 - HG2 MET 121 - HA ILE 7 lone 2 96 - 2 - HB2 LYS 39 - HA ILE 7 lone 2 94 - 2 - HB2 LYS 43 - HA ILE 7 lone 2 65 - 2 - HB2 LYS 123 - HA ILE 7 lone 1 94 - 1 - HB3 LYS 123 - HA ILE 7 lone 1 90 - 1 - HB2 LEU 127 - HA ILE 7 lone 1 96 - 1 - HB2 LYS 44 - HA ILE 7 lone 1 81 - 1 - HB2 LEU 70 - HA ILE 7 lone 1 70 - 1 - HB3 LYS 44 - HA ILE 7 lone 1 61 - 1 - Peak 11617 from cnoeabs.peaks (1.57, 0.77, 14.16 ppm; 4.36 A): 2 out of 13 assignments used, quality = 0.66: HB VAL 78 + QD1 ILE 7 OK 54 87 - 62 - 2.1/11581=24, ~11580=14...(11) HG LEU 55 + QD1 ILE 7 OK 26 100 - 27 - ~11136=8, ~11557=8...(6) HD3 LYS 106 - QD1 ILE 7 lone 9 97 - 9 - 3.0/10287=2, 3.0/10289=2...(4) HD2 LYS 106 - QD1 ILE 7 lone 9 96 - 9 - 3.0/10287=2, 3.0/10289=2...(4) HG12 ILE 116 - QD1 ILE 7 lone 4 77 - 5 - 3.2/10491=2 HG12 ILE 3 - QD1 ILE 7 lone 3 96 - 3 - 2.9/9075=1 HG LEU 68 - QD1 ILE 7 lone 2 61 - 3 - HG2 LYS 115 - QD1 ILE 7 lone 1 96 - 2 - QB ALA 46 - QD1 ILE 7 lone 1 61 - 2 - HG3 LYS 96 - QD1 ILE 7 lone 1 100 - 1 - HB3 LEU 70 - QD1 ILE 7 lone 1 100 - 1 - HG2 LYS 123 - QD1 ILE 7 lone 1 98 - 1 - HG2 LYS 44 - QD1 ILE 7 lone 1 84 - 1 - Peak 11618 from cnoeabs.peaks (0.87, 1.25, 27.10 ppm; 3.47 A): 4 out of 9 assignments used, quality = 0.84: QG1 VAL 32 + HG13 ILE 7 OK 56 100 - 56 - 11584/2.1=14...(11) QG2 THR 9 + HG13 ILE 7 OK 37 99 - 38 - 9115/3.0=10, 9117/3.2=9...(6) QG2 VAL 117 + HG13 ILE 7 OK 34 100 - 34 - 11584/2.1=9, ~9077=8...(7) QG2 VAL 107 + HG13 ILE 7 OK 13 100 - 13 - 11584/2.1=4, 11459/3.0=2...(6) HG13 ILE 57 - HG13 ILE 7 lone 7 96 - 7 - 9073/3.0=2, 11583/3.2=2 QD1 LEU 14 - HG13 ILE 7 lone 5 96 - 5 - 11584/2.1=2, 11583/3.2=1 QG2 VAL 22 - HG13 ILE 7 lone 3 84 - 3 - QD2 LEU 90 - HG13 ILE 7 lone 2 77 - 3 - QG2 VAL 104 - HG13 ILE 7 lone 1 70 - 1 - Peak 11619 from cnoeabs.peaks (0.75, 1.92, 45.78 ppm; 3.66 A): 2 out of 11 assignments used, quality = 0.81: QG2 ILE 7 + HB2 LEU 81 OK 71 100 - 71 - 3.2/11616=14...(17) QG1 VAL 107 + HB2 LEU 81 OK 37 73 - 50 - ~11457=9, 11458/1.8=9...(10) QD2 LEU 6 - HB2 LEU 81 lone 6 87 - 7 - 3.1/11622=1, ~11623=1...(4) QG2 ILE 54 - HB2 LEU 81 lone 5 100 - 4 - 3.2/11621=1 QG2 VAL 32 - HB2 LEU 81 lone 4 73 - 6 - 11620/1.8=1, ~10791=1 QD2 LEU 55 - HB2 LEU 81 lone 3 90 - 3 - QD1 LEU 63 - HB2 LEU 81 lone 3 98 - 3 - HG13 ILE 18 - HB2 LEU 81 lone 3 65 - 4 - QD2 LEU 14 - HB2 LEU 81 lone 3 73 - 3 - QD1 LEU 45 - HB2 LEU 81 lone 1 97 - 1 - QD1 ILE 15 - HB2 LEU 81 lone 1 70 - 1 - Peak 11620 from cnoeabs.peaks (0.75, 1.36, 45.78 ppm; 3.57 A): 3 out of 11 assignments used, quality = 0.94: QG2 ILE 7 + HB3 LEU 81 OK 75 97 - 78 - 11619/1.8=18, 11490=14...(19) QD1 ILE 7 + HB3 LEU 81 OK 51 73 - 70 - 2.1/11624=14, 9074=13...(16) QG1 VAL 107 + HB3 LEU 81 OK 47 87 - 54 - 11458=10, 11619/1.8=9...(10) QD2 LEU 6 - HB3 LEU 81 lone 6 73 - 9 - 3.1/11623=2, 11619/1.8=2 QG2 VAL 32 - HB3 LEU 81 lone 6 87 - 7 - 11619/1.8=1, ~10791=1 QG2 ILE 54 - HB3 LEU 81 lone 5 99 - 5 - 3.2/11624=1, 11619/1.8=1 QD2 LEU 55 - HB3 LEU 81 lone 3 77 - 4 - QD1 LEU 63 - HB3 LEU 81 lone 3 92 - 3 - QD2 LEU 14 - HB3 LEU 81 lone 3 87 - 3 - QD1 LEU 45 - HB3 LEU 81 lone 1 100 - 1 - QD1 ILE 15 - HB3 LEU 81 lone 1 84 - 1 - Peak 11621 from cnoeabs.peaks (1.25, 1.92, 45.78 ppm; 5.29 A): 2 out of 6 assignments used, quality = 0.90: HG13 ILE 7 + HB2 LEU 81 OK 88 100 - 88 - 11624/1.8=34...(11) QG2 THR 108 + HB2 LEU 81 OK 18 100 - 18 - 4.0/9943=7, 11624/1.8=4...(4) HG12 ILE 54 - HB2 LEU 81 lone 10 100 - 10 - 11624/1.8=3, 11326/3.8=2 HD3 LYS 53 - HB2 LEU 81 lone 3 70 - 4 - HD2 LYS 2 - HB2 LEU 81 lone 2 92 - 2 - HG3 LYS 61 - HB2 LEU 81 lone 2 98 - 2 - Peak 11622 from cnoeabs.peaks (1.45, 1.92, 45.78 ppm; 5.57 A): 2 out of 16 assignments used, quality = 0.96: HG12 ILE 7 + HB2 LEU 81 OK 90 97 - 93 - 1.8/11621=32, ~11624=29...(12) HG12 ILE 57 + HB2 LEU 81 OK 62 96 - 65 - 2.1/9556=16...(11) HG LEU 80 - HB2 LEU 81 OK 32 90 - 36 - 5.3/9943=8, 11387/3.8=8...(7) HB3 LEU 6 - HB2 LEU 81 OK 28 98 - 28 - 11387/3.8=9, 11623/1.8=4...(9) HB3 LEU 38 - HB2 LEU 81 OK 19 94 - 20 - 11623/1.8=3, 11388/3.1=3...(9) HG2 LYS 106 - HB2 LEU 81 OK 18 96 - 19 - 11388/3.1=7, 11623/1.8=3...(6) HG2 LYS 39 - HB2 LEU 81 OK 13 99 - 13 - 11039/3.1=5, 11623/1.8=2...(4) HG2 LYS 49 - HB2 LEU 81 lone 8 98 - 8 - 11623/1.8=1 HG3 LYS 49 - HB2 LEU 81 lone 8 98 - 8 - 11623/1.8=1 HG LEU 4 - HB2 LEU 81 lone 6 100 - 6 - 2381/3.8=2 HG3 ARG 30 - HB2 LEU 81 lone 3 100 - 3 - HB3 LEU 4 - HB2 LEU 81 lone 3 77 - 4 - HB2 LEU 4 - HB2 LEU 81 lone 3 77 - 4 - HB2 LEU 74 - HB2 LEU 81 lone 2 81 - 2 - HG2 LYS 96 - HB2 LEU 81 lone 2 87 - 2 - HG3 LYS 44 - HB2 LEU 81 lone 1 81 - 2 - Peak 11623 from cnoeabs.peaks (1.46, 1.36, 45.78 ppm; 4.71 A): 2 out of 16 assignments used, quality = 0.94: HG12 ILE 7 + HB3 LEU 81 OK 88 100 - 88 - 1.8/11624=28...(13) HG12 ILE 57 + HB3 LEU 81 OK 54 99 - 54 - 11388/3.1=11, ~9556=11...(11) HB3 LEU 6 - HB3 LEU 81 OK 23 100 - 23 - 11387/3.8=7, 11389/3.1=4...(8) HG2 LYS 106 - HB3 LEU 81 OK 16 99 - 16 - 11388/3.1=7, 11389/3.1=3...(6) HG LEU 80 - HB3 LEU 81 OK 16 77 - 21 - 11387/3.8=7, ~10970=5...(5) HB3 LEU 38 - HB3 LEU 81 OK 16 99 - 16 - 11388/3.1=3, 11389/3.1=3...(7) HG2 LYS 39 - HB3 LEU 81 OK 11 100 - 11 - 11039/3.1=4, 11387/3.8=2...(4) HG2 LYS 49 - HB3 LEU 81 lone 6 100 - 6 - HG3 LYS 49 - HB3 LEU 81 lone 6 100 - 6 - HG LEU 4 - HB3 LEU 81 lone 4 99 - 4 - 2381/3.8=1 HG3 ARG 30 - HB3 LEU 81 lone 2 99 - 2 - HB2 LEU 74 - HB3 LEU 81 lone 2 92 - 2 - HB2 LEU 4 - HB3 LEU 81 lone 2 61 - 2 - HB3 LEU 4 - HB3 LEU 81 lone 2 61 - 2 - HG2 LYS 96 - HB3 LEU 81 lone 1 73 - 1 - HG3 LYS 44 - HB3 LEU 81 lone 1 65 - 1 - Peak 11624 from cnoeabs.peaks (1.25, 1.36, 45.78 ppm; 5.07 A): 1 out of 6 assignments used, quality = 0.87: HG13 ILE 7 + HB3 LEU 81 OK 87 100 - 87 - 11621/1.8=27...(12) QG2 THR 108 - HB3 LEU 81 lone 9 100 - 9 - 11621/1.8=5, 10323/11458=2 HG12 ILE 54 - HB3 LEU 81 lone 9 100 - 8 - 11621/1.8=3, 11326/3.8=2...(4) HD3 LYS 53 - HB3 LEU 81 lone 2 70 - 3 - HD2 LYS 2 - HB3 LEU 81 lone 2 92 - 2 - HG3 LYS 61 - HB3 LEU 81 lone 1 98 - 2 - Peak 11625 from cnoeabs.peaks (5.18, 0.78, 25.50 ppm; 4.87 A): 2 out of 2 assignments used, quality = 0.65: HA ILE 7 + QD1 LEU 80 OK 46 100 - 46 - 9085/5.0=20, ~11094=8...(9) HA VAL 78 + QD1 LEU 80 OK 35 84 - 41 - ~9920=16, ~9864=13...(7) Peak 11626 from cnoeabs.peaks (0.73, 3.71, 57.67 ppm; 4.09 A): 3 out of 11 assignments used, quality = 0.93: QG1 VAL 117 + HA LEU 114 OK 75 92 - 82 - 2.1/10515=34...(11) HG13 ILE 18 + HA LEU 114 OK 57 100 - 57 - 2.1/11126=21...(8) QG2 ILE 18 + HA LEU 114 OK 39 84 - 47 - 2.9/11126=19, ~11023=8...(8) QD1 LEU 63 - HA LEU 114 poor 9 92 - 10 - 4.8/2083=5, 4.7/2078=2 QG2 VAL 78 - HA LEU 114 lone 6 98 - 6 - 2.1/11126=3 QG2 ILE 7 - HA LEU 114 lone 5 84 - 6 - 11583/10515=2, 11582/11126=2 QD2 LEU 6 - HA LEU 114 lone 5 99 - 5 - 11611/3.7=2, 11628/3.0=1 QD2 LEU 55 - HA LEU 114 lone 3 99 - 3 - QD1 LEU 6 - HA LEU 114 lone 2 73 - 3 - QD2 LEU 45 - HA LEU 114 lone 1 98 - 1 - QG2 ILE 54 - HA LEU 114 lone 1 77 - 1 - Peak 11628 from cnoeabs.peaks (0.74, 1.40, 40.94 ppm; 3.83 A): 3 out of 11 assignments used, quality = 0.92: HG13 ILE 18 + HB3 LEU 114 OK 71 97 - 74 - 2.1/9197=18...(14) QG2 ILE 18 + HB3 LEU 114 OK 47 65 - 72 - 2.9/9197=15, ~10439=11...(17) QG1 VAL 117 + HB3 LEU 114 OK 45 77 - 58 - 10518/3.0=17, ~10515=14...(9) QD2 LEU 6 - HB3 LEU 114 lone 8 100 - 8 - 11611/3.0=2, ~11537=1...(4) QD1 LEU 63 - HB3 LEU 114 lone 6 99 - 6 - 4.8/7883=3, 11626/3.0=1 QG2 VAL 78 - HB3 LEU 114 lone 4 90 - 5 - ~11126=1, 2.1/11023=1 QG2 ILE 7 - HB3 LEU 114 lone 4 96 - 4 - 11582/9197=2 QD2 LEU 55 - HB3 LEU 114 lone 2 100 - 2 - QG2 ILE 54 - HB3 LEU 114 lone 1 92 - 2 - QD2 LEU 45 - HB3 LEU 114 lone 1 90 - 1 - QD1 LEU 45 - HB3 LEU 114 lone 1 65 - 1 - Peak 11629 from cnoeabs.peaks (1.78, 0.67, 23.24 ppm; 3.36 A): 2 out of 7 assignments used, quality = 0.65: HG12 ILE 18 + QD2 LEU 114 OK 60 90 - 68 - 3.8/10439=19, 11710=19...(12) HB2 LEU 64 + QD2 LEU 114 OK 11 84 - 13 - 8098/3.9=3, 3.6/7886=3...(6) HB3 GLN 28 - QD2 LEU 114 lone 3 97 - 3 - HB2 LYS 19 - QD2 LEU 114 lone 2 87 - 3 - HB2 LEU 55 - QD2 LEU 114 lone 1 77 - 2 - HB2 LEU 90 - QD2 LEU 114 lone 1 100 - 1 - HB VAL 32 - QD2 LEU 114 lone 1 100 - 1 - Peak 11630 from cnoeabs.peaks (1.86, 0.65, 14.72 ppm; 3.49 A): 2 out of 11 assignments used, quality = 0.72: QE MET 42 + QD1 ILE 71 OK 55 100 - 55 - 9432=22, 11685/2.1=16...(10) QE MET 67 + QD1 ILE 71 OK 37 70 - 53 - 3.3/9781=15, 3.3/9782=13...(9) HG LEU 70 - QD1 ILE 71 poor 10 77 - 12 - 438/5.0=5, 3.0/9778=4, ~9788=2 HB2 LEU 63 - QD1 ILE 71 lone 3 96 - 4 - HB2 ARG 105 - QD1 ILE 71 lone 2 98 - 2 - HG LEU 45 - QD1 ILE 71 lone 1 61 - 2 - HG LEU 127 - QD1 ILE 71 lone 1 99 - 1 - HB3 ARG 118 - QD1 ILE 71 lone 1 96 - 1 - HB2 LYS 16 - QD1 ILE 71 lone 1 70 - 1 - HB3 LYS 16 - QD1 ILE 71 lone 1 65 - 1 - HG2 ARG 95 - QD1 ILE 71 lone 1 84 - 1 - Peak 11631 from cnoeabs.peaks (7.00, 5.27, 53.06 ppm; 5.79 A): 1 out of 5 assignments used, quality = 0.58: HZ PHE 120 + HA LEU 81 OK 58 61 - 94 - 2.2/4739=45, ~4738=29...(15) HZ PHE 79 - HA LEU 81 lone 5 92 - 5 - 9946/3.0=1 HE22 GLN 28 - HA LEU 81 lone 4 84 - 5 - 10249/10685=1, 9946/3.0=1 QD TYR 102 - HA LEU 81 lone 4 73 - 6 - 4692/3.9=2, 9935/5514=1 HD22 ASN 33 - HA LEU 81 lone 3 57 - 5 - 10249/10685=2 Peak 11633 from cnoeabs.peaks (1.83, 0.79, 24.93 ppm; 3.15 A): 2 out of 10 assignments used, quality = 0.49: HB ILE 57 + QD1 LEU 81 OK 31 97 - 32 - 11634/2.1=7, 2.9/11388=6...(12) HB3 ARG 105 + QD1 LEU 81 OK 26 81 - 32 - 3.0/11019=7, 1.8/11018=6...(10) QE MET 121 - QD1 LEU 81 lone 5 100 - 6 - 10601/2.1=3, 10599/11388=1 HB3 LYS 77 - QD1 LEU 81 lone 5 90 - 6 - 11634/2.1=1 HB2 LYS 77 - QD1 LEU 81 lone 5 84 - 6 - 11634/2.1=1 HB3 LYS 19 - QD1 LEU 81 lone 5 99 - 5 - 11634/2.1=1 HB ILE 18 - QD1 LEU 81 lone 4 94 - 4 - 3.0/11028=1, 11634/2.1=1 HB2 LEU 14 - QD1 LEU 81 lone 2 97 - 2 - HD2 LYS 123 - QD1 LEU 81 lone 2 84 - 2 - HG LEU 70 - QD1 LEU 81 lone 0 65 - 1 - Peak 11634 from cnoeabs.peaks (1.83, 0.71, 25.86 ppm; 4.26 A): 4 out of 10 assignments used, quality = 0.79: HB ILE 57 + QD2 LEU 81 OK 56 97 - 58 - 11633/2.1=17...(14) HB3 ARG 105 + QD2 LEU 81 OK 38 81 - 47 - 11633/2.1=14, ~11018=11...(8) QE MET 121 + QD2 LEU 81 OK 14 100 - 14 - 10601=5, 11633/2.1=3 HB3 LYS 19 + QD2 LEU 81 OK 10 99 - 10 - 11633/2.1=3, ~11029=1 HB3 LYS 77 - QD2 LEU 81 poor 9 90 - 10 - 11633/2.1=3, ~11633=2...(4) HB2 LYS 77 - QD2 LEU 81 poor 9 84 - 10 - 11633/2.1=3, ~11633=2...(4) HB ILE 18 - QD2 LEU 81 lone 8 94 - 9 - 11633/2.1=2, ~11028=2, ~11711=1 HB2 LEU 14 - QD2 LEU 81 lone 4 97 - 4 - 11633/2.1=1 HD2 LYS 123 - QD2 LEU 81 lone 3 84 - 4 - HG LEU 70 - QD2 LEU 81 lone 1 65 - 1 - Peak 11635 from cnoeabs.peaks (2.10, 0.71, 25.86 ppm; 4.81 A): 6 out of 18 assignments used, quality = 0.77: HB VAL 107 + QD2 LEU 81 OK 44 65 - 67 - ~11457=20, 11607/2.1=17...(8) HB3 GLU 66 + QD2 LEU 81 OK 20 99 - 20 - 3.0/11066=8, ~11065=6 HB2 GLU 112 + QD2 LEU 81 OK 19 81 - 24 - 4.6/9947=9, 11607/2.1=5...(6) HB3 GLU 112 + QD2 LEU 81 OK 18 77 - 24 - 4.6/9947=9, 11607/2.1=4...(6) HB2 LEU 38 + QD2 LEU 81 OK 12 73 - 17 - 1.8/11389=3, 11607/2.1=3...(7) HB3 GLU 119 + QD2 LEU 81 OK 12 73 - 17 - 4.0/10544=5...(6) HB2 GLU 119 - QD2 LEU 81 poor 10 61 - 16 - 4.0/10544=5...(6) HB3 GLU 92 - QD2 LEU 81 lone 7 94 - 7 - 4.6/9947=3, 11607/2.1=2 HB2 GLU 111 - QD2 LEU 81 lone 6 100 - 6 - 11607/2.1=2, ~11422=1 HG3 GLU 21 - QD2 LEU 81 lone 4 98 - 4 - HG2 GLU 21 - QD2 LEU 81 lone 4 96 - 4 - HB3 GLU 69 - QD2 LEU 81 lone 3 94 - 3 - HB2 GLU 87 - QD2 LEU 81 lone 2 99 - 2 - HB2 GLU 103 - QD2 LEU 81 lone 2 90 - 2 - HG3 GLN 83 - QD2 LEU 81 lone 2 61 - 3 - 11607/2.1=2 HB2 GLU 21 - QD2 LEU 81 lone 2 65 - 2 - HG2 GLU 52 - QD2 LEU 81 lone 1 100 - 1 - HB3 GLU 47 - QD2 LEU 81 lone 1 87 - 2 - Peak 11636 from cnoeabs.peaks (1.63, 0.71, 25.86 ppm; 3.44 A): 5 out of 13 assignments used, quality = 0.88: HB ILE 116 + QD2 LEU 81 OK 75 100 - 75 - 2.1/9959=25...(14) HB2 LEU 82 + QD2 LEU 81 OK 21 87 - 24 - 4.0/516=10, 11637/2.1=6...(5) HB3 LEU 64 + QD2 LEU 81 OK 19 99 - 19 - 11637/2.1=5, 10965=2...(8) HD3 LYS 65 + QD2 LEU 81 OK 15 65 - 22 - ~10805=5, 4.8/9956=4...(6) HG LEU 64 + QD2 LEU 81 OK 12 94 - 13 - 11637/2.1=3, 3.0/10965=2...(6) HD2 LYS 77 - QD2 LEU 81 lone 5 94 - 5 - 11637/2.1=1, 3.6/11634=1 HD3 LYS 77 - QD2 LEU 81 lone 5 92 - 5 - 11637/2.1=1, 3.6/11634=1 HG LEU 63 - QD2 LEU 81 lone 4 84 - 4 - HG LEU 90 - QD2 LEU 81 lone 3 98 - 4 - 1543/4.9=2 HB ILE 5 - QD2 LEU 81 lone 3 84 - 4 - 4.5/1048=2 HG2 LYS 16 - QD2 LEU 81 lone 1 98 - 1 - HG LEU 114 - QD2 LEU 81 lone 1 65 - 1 - HG3 LYS 40 - QD2 LEU 81 lone 1 84 - 1 - Peak 11637 from cnoeabs.peaks (1.63, 0.79, 24.93 ppm; 2.67 A): 4 out of 13 assignments used, quality = 0.71: HB ILE 116 + QD1 LEU 81 OK 55 100 - 56 - 2.1/9958=23, 11636/2.1=9...(12) HB2 LEU 82 + QD1 LEU 81 OK 17 87 - 19 - 4.0/7720=10, 11636/2.1=3...(5) HB3 LEU 64 + QD1 LEU 81 OK 13 99 - 13 - 3.0/4757=2, 11636/2.1=2...(5) HD3 LYS 65 + QD1 LEU 81 OK 10 65 - 15 - 3.0/10805=5, 4.8/11606=2...(5) HG LEU 64 - QD1 LEU 81 lone 9 94 - 9 - 3.7/4757=2, 11636/2.1=1 HD2 LYS 77 - QD1 LEU 81 lone 3 94 - 3 - HD3 LYS 77 - QD1 LEU 81 lone 3 92 - 3 - HG LEU 90 - QD1 LEU 81 lone 2 98 - 2 - HG LEU 63 - QD1 LEU 81 lone 2 84 - 2 - HB ILE 5 - QD1 LEU 81 lone 1 84 - 2 - HG LEU 114 - QD1 LEU 81 lone 1 65 - 1 - HG2 LYS 16 - QD1 LEU 81 lone 1 98 - 1 - HG3 LYS 40 - QD1 LEU 81 lone 0 84 - 0 - Peak 11638 from cnoeabs.peaks (0.75, 1.35, 27.36 ppm; 3.16 A): 3 out of 11 assignments used, quality = 0.84: QG2 ILE 7 + HG LEU 81 OK 58 96 - 61 - 11619/3.0=11, 11490=9...(19) QD1 ILE 7 + HG LEU 81 OK 41 77 - 53 - 9074=9, 3.3/11490=7...(14) QG1 VAL 107 + HG LEU 81 OK 37 90 - 42 - 2.1/11639=11, 11458=10...(8) QG2 VAL 32 - HG LEU 81 lone 5 90 - 5 - 2.1/11639=2, ~10791=1 QD2 LEU 6 - HG LEU 81 lone 4 70 - 5 - ~11389=1 QG2 ILE 54 - HG LEU 81 lone 3 98 - 3 - QD2 LEU 14 - HG LEU 81 lone 2 90 - 2 - QD1 LEU 63 - HG LEU 81 lone 2 90 - 2 - QD2 LEU 55 - HG LEU 81 lone 1 73 - 1 - QD1 LEU 45 - HG LEU 81 lone 1 100 - 1 - QD1 ILE 15 - HG LEU 81 lone 1 87 - 1 - Peak 11639 from cnoeabs.peaks (0.87, 1.35, 27.36 ppm; 3.66 A): 3 out of 9 assignments used, quality = 0.74: QG2 VAL 107 + HG LEU 81 OK 56 100 - 56 - 11457=16, 2.1/11458=14...(10) HG13 ILE 57 + HG LEU 81 OK 30 94 - 33 - ~11389=7, ~11388=6...(8) QG2 VAL 117 + HG LEU 81 OK 17 100 - 18 - ~11696=8, 10525/11390=4...(4) QG1 VAL 32 - HG LEU 81 lone 8 100 - 8 - 11584/9074=2, ~10791=2...(4) QD2 LEU 90 - HG LEU 81 lone 5 81 - 6 - 10074/4.3=3 QG2 THR 9 - HG LEU 81 lone 4 99 - 4 - 11584/9074=1, 11583/11638=1 QG2 VAL 104 - HG LEU 81 lone 3 73 - 4 - ~10231=1 QD1 LEU 14 - HG LEU 81 lone 3 94 - 3 - QG2 VAL 22 - HG LEU 81 lone 1 81 - 1 - Peak 11640 from cnoeabs.peaks (1.50, 0.38, 23.07 ppm; 6.20 A): 3 out of 12 assignments used, quality = 0.91: HB2 LEU 6 + QD2 LEU 68 OK 74 100 - 75 - 3.1/11565=41...(7) HG LEU 6 + QD2 LEU 68 OK 57 77 - 75 - 2.1/11565=41...(5) QB ALA 124 + QD2 LEU 68 OK 20 100 - 20 - 10627/4633=4...(8) HB3 LEU 45 - QD2 LEU 68 poor 10 61 - 16 - 1.8/9763=2, 4623/4633=2...(7) HG2 LYS 20 - QD2 LEU 68 lone 8 100 - 8 - ~11075=2, 2.9/9763=1, 2.9/9763=1 HB2 LYS 61 - QD2 LEU 68 lone 7 87 - 9 - 9659/9748=5 HG2 LYS 43 - QD2 LEU 68 lone 7 96 - 8 - 3.0/9763=1, ~11075=1...(4) HD3 LYS 17 - QD2 LEU 68 lone 5 87 - 6 - ~11075=1 HG LEU 38 - QD2 LEU 68 lone 5 73 - 7 - 4.3/9754=3 HB3 LEU 14 - QD2 LEU 68 lone 4 97 - 4 - HG2 ARG 30 - QD2 LEU 68 lone 3 96 - 3 - HB3 ARG 30 - QD2 LEU 68 lone 2 94 - 3 - Peak 11641 from cnoeabs.peaks (0.34, 0.51, 25.27 ppm; 3.42 A): 0 out of 1 assignment used, low quality = 0.25: QD1 ILE 97 - QD1 LEU 68 OK 25 61 - 41 - 3.0/11496=23, 4.2/9753=4...(10) Peak 11642 from cnoeabs.peaks (2.19, 1.59, 26.45 ppm; 6.20 A): 3 out of 10 assignments used, quality = 0.72: HB2 MET 67 + HG LEU 68 OK 48 77 - 63 - 4.6/4976=42, 11271=14...(8) HB2 GLU 69 + HG LEU 68 OK 32 84 - 39 - 4.0/425=15, ~11489=12...(6) HG3 GLU 66 + HG LEU 68 OK 19 100 - 19 - 5.0/9698=8, 416/5.3=6 HG3 GLN 28 - HG LEU 68 lone 6 81 - 8 - ~11074=2, ~11071=2, 11271=1 HB3 MET 1 - HG LEU 68 lone 4 92 - 5 - ~11489=2 HB3 GLU 37 - HG LEU 68 lone 4 84 - 4 - ~11489=2 HB2 MET 42 - HG LEU 68 lone 3 100 - 3 - HB2 GLU 98 - HG LEU 68 lone 3 94 - 3 - ~11489=1 HB2 GLN 85 - HG LEU 68 lone 2 77 - 3 - HG2 GLU 48 - HG LEU 68 lone 2 81 - 2 - Peak 11643 from cnoeabs.peaks (0.38, 1.90, 37.90 ppm; 6.20 A): 2 out of 2 assignments used, quality = 0.87: QD2 LEU 68 + HB ILE 71 OK 80 97 - 83 - 9775/2.1=47, 4.0/8147=25...(11) QD1 ILE 97 + HB ILE 71 OK 32 81 - 40 - 9776/3.2=28, ~10134=8 Peak 11644 from cnoeabs.peaks (4.73, 3.33, 42.86 ppm; 5.06 A): 3 out of 5 assignments used, quality = 0.82: HA ARG 30 + HD2 ARG 30 OK 74 81 - 92 - 5.3=86, 3.6/176=22...(6) HA ASN 24 + HD2 ARG 30 OK 17 94 - 18 - 11645/1.8=16 HA ASN 59 + HD2 ARG 30 OK 15 77 - 19 - 11645/1.8=17, 9488/9261=1 HA THR 9 - HD2 ARG 30 lone 2 84 - 2 - HA ASP 109 - HD2 ARG 30 lone 1 87 - 1 - Peak 11645 from cnoeabs.peaks (4.72, 2.93, 42.86 ppm; 4.82 A): 0 out of 3 assignments used, low quality = 0.00: HA ASN 59 - HD3 ARG 30 lone 8 98 - 8 - 11644/1.8=4, 9488/9498=2 HA ASN 24 - HD3 ARG 30 lone 8 100 - 8 - 11644/1.8=5, 9495/9264=1 HA ASP 34 - HD3 ARG 30 lone 2 81 - 2 - Peak 11646 from cnoeabs.peaks (2.99, 4.09, 59.39 ppm; 6.20 A): 2 out of 16 assignments used, quality = 0.97: HE2 LYS 43 + HA LYS 43 OK 88 90 - 98 - 6.6=83, 3.9/3841=31...(61) HE3 LYS 43 + HA LYS 43 OK 72 73 - 98 - 6.6=83, 3.9/3841=31...(60) HE2 LYS 73 - HA LYS 43 OK 37 94 - 40 - 3848/3.9=3, 2.9/3816=3...(11) HE3 LYS 73 - HA LYS 43 OK 32 81 - 39 - 3848/3.9=3, 2.9/3816=3...(11) HE3 LYS 39 - HA LYS 43 poor 10 92 - 10 - HE2 LYS 39 - HA LYS 43 poor 9 87 - 10 - HE3 LYS 123 - HA LYS 43 lone 3 65 - 5 - HB2 ASN 59 - HA LYS 43 lone 1 73 - 2 - HE2 LYS 43 - HA GLU 91 lone 1 25 - 3 - HE2 LYS 73 - HA GLU 91 lone 1 27 - 2 - HE3 LYS 39 - HA GLU 91 lone 1 26 - 2 - HE3 LYS 43 - HA GLU 91 lone 1 19 - 3 - HE2 LYS 39 - HA GLU 91 lone 1 24 - 2 - HE3 LYS 73 - HA GLU 91 lone 0 21 - 2 - HE3 LYS 123 - HA GLU 91 lone 0 16 - 2 - HB2 ASN 59 - HA GLU 91 lone 0 19 - 2 - Peak 11647 from cnoeabs.peaks (2.96, 4.09, 58.54 ppm; 6.20 A): 5 out of 16 assignments used, quality = 1.00: HE3 LYS 20 + HA LYS 20 OK 98 100 - 98 - 6.6=82, 3.9/3073=31...(50) HE2 LYS 20 + HA LYS 20 OK 98 100 - 98 - 6.6=82, 3.9/3073=31...(50) HE3 LYS 43 + HA LYS 20 OK 56 92 - 61 - 3.9/3841=13, 3.9/3851=7...(17) HE3 LYS 73 + HA LYS 20 OK 47 87 - 55 - 3.8/3037=9, 2.9/3038=4...(16) HE2 LYS 43 + HA LYS 20 OK 46 77 - 60 - 3.9/3841=13, 3.9/3851=7...(17) HE2 LYS 73 - HA LYS 20 OK 37 70 - 54 - 3.8/3037=9, 2.9/3038=4...(13) HE3 LYS 40 - HA LYS 20 OK 28 100 - 28 - 3070/3.8=3, 3081/3.8=3...(7) HE2 LYS 40 - HA LYS 20 OK 27 100 - 27 - 3070/3.8=3, 3080/3.8=3...(7) HD3 ARG 118 - HA LYS 20 OK 11 98 - 11 - ~1869=2, ~1144=1...(4) HE2 LYS 39 - HA LYS 20 lone 7 81 - 8 - HE3 LYS 39 - HA LYS 20 lone 6 73 - 8 - HE3 LYS 106 - HA LYS 20 lone 5 87 - 6 - 3.0/11540=1, 3.0/11540=1 HE2 LYS 106 - HA LYS 20 lone 5 84 - 6 - 3.0/11540=1, 3.0/11540=1 HB3 ASN 24 - HA LYS 20 lone 2 100 - 2 - HB2 ASN 24 - HA LYS 20 lone 2 100 - 2 - HB3 PHE 51 - HA LYS 20 lone 2 100 - 2 - Peak 11649 from cnoeabs.peaks (0.62, 2.47, 39.05 ppm; 6.20 A): 3 out of 5 assignments used, quality = 0.90: QG1 VAL 78 + HB2 TYR 102 OK 85 100 - 85 - 9880/2.5=34, ~9872=28...(8) QD1 ILE 5 + HB2 TYR 102 OK 24 98 - 24 - 4694/2.5=10, 9055/4.4=7...(4) QD1 ILE 54 + HB2 TYR 102 OK 15 70 - 21 - ~4691=9, 9484/2.5=7...(4) QD1 ILE 18 - HB2 TYR 102 lone 4 99 - 4 - 4694/2.5=1 HG13 ILE 15 - HB2 TYR 102 lone 3 65 - 5 - Peak 11651 from cnoeabs.peaks (0.62, 1.38, 27.05 ppm; 3.65 A): 4 out of 6 assignments used, quality = 0.69: QD1 ILE 18 + HG LEU 14 OK 33 96 - 34 - 11652/2.1=12, 9196/3.7=7...(9) QD1 ILE 5 + HG LEU 14 OK 31 100 - 32 - 11652/2.1=12, 9063/3.7=6...(8) HG13 ILE 15 + HG LEU 14 OK 25 77 - 33 - 5.0/72=9, 11652/2.1=8...(9) QD1 ILE 54 + HG LEU 14 OK 10 81 - 13 - 11652/2.1=4, 11330/3.0=2...(4) QG1 VAL 22 - HG LEU 14 lone 5 70 - 7 - 11652/2.1=2, 9164/3.7=2 QG1 VAL 78 - HG LEU 14 lone 2 98 - 2 - 11652/2.1=1 Peak 11652 from cnoeabs.peaks (0.62, 0.86, 22.48 ppm; 3.19 A): 3 out of 6 assignments used, quality = 0.53: QD1 ILE 5 + QD1 LEU 14 OK 25 100 - 25 - 3.2/11519=8, 11651/2.1=8...(5) QD1 ILE 18 + QD1 LEU 14 OK 24 96 - 25 - 11651/2.1=8, 2.1/11676=7...(7) HG13 ILE 15 + QD1 LEU 14 OK 17 77 - 22 - 5.0/7357=7, 11651/2.1=6...(7) QD1 ILE 54 - QD1 LEU 14 lone 8 81 - 9 - 11651/2.1=3, 11330/3.1=2...(4) QG1 VAL 22 - QD1 LEU 14 lone 4 70 - 5 - 11651/2.1=1, 9164/4.0=1 QG1 VAL 78 - QD1 LEU 14 lone 2 98 - 2 - Peak 11653 from cnoeabs.peaks (1.94, 1.10, 27.09 ppm; 5.61 A): 3 out of 18 assignments used, quality = 0.80: HB VAL 29 + HG2 LYS 19 OK 72 84 - 86 - 2.1/10926=47, 11657=29...(9) HB3 LYS 39 + HG2 LYS 19 OK 16 96 - 16 - ~7990=6, ~7992=5...(4) HB2 LYS 39 + HG2 LYS 19 OK 14 98 - 14 - ~7990=6, ~7992=5, ~11220=2 HB VAL 104 - HG2 LYS 19 lone 5 98 - 5 - ~11031=1 HB3 LYS 40 - HG2 LYS 19 lone 3 99 - 3 - HB2 LYS 123 - HG2 LYS 19 lone 2 98 - 2 - HB3 LYS 115 - HG2 LYS 19 lone 2 98 - 2 - HB3 GLU 41 - HG2 LYS 19 lone 2 94 - 2 - HB2 GLU 41 - HG2 LYS 19 lone 2 92 - 2 - HB2 LYS 65 - HG2 LYS 19 lone 2 98 - 2 - HB3 LYS 65 - HG2 LYS 19 lone 2 97 - 2 - HB2 LYS 115 - HG2 LYS 19 lone 2 87 - 2 - HB3 GLU 52 - HG2 LYS 19 lone 2 87 - 2 - HB2 LEU 70 - HG2 LYS 19 lone 2 100 - 2 - HB3 MET 42 - HG2 LYS 19 lone 2 92 - 2 - HB2 LEU 127 - HG2 LYS 19 lone 1 97 - 2 - HB3 GLU 128 - HG2 LYS 19 lone 1 81 - 2 - HB3 LYS 17 - HG2 LYS 19 lone 1 65 - 1 - Peak 11654 from cnoeabs.peaks (8.05, 1.97, 29.43 ppm; 4.39 A): 1 out of 7 assignments used, quality = 0.83: H VAL 22 + HB3 GLU 21 OK 83 90 - 92 - 4.7=84, 11655/1.8=30...(5) H ASP 109 - HB3 GLU 21 poor 10 87 - 11 - 11655/1.8=5, 10352/3.0=2...(4) H LYS 65 - HB3 GLU 21 lone 7 92 - 8 - 9206/4.1=3, 11655/1.8=2 H THR 9 - HB3 GLU 21 lone 4 99 - 3 - 11655/1.8=1 H LEU 90 - HB3 GLU 21 lone 3 100 - 3 - H GLN 122 - HB3 GLU 21 lone 2 98 - 2 - H HIS 131 - HB3 GLU 21 lone 1 90 - 1 - Peak 11655 from cnoeabs.peaks (8.04, 2.12, 29.43 ppm; 3.61 A): 2 out of 10 assignments used, quality = 0.74: H VAL 22 + HB2 GLU 21 OK 71 100 - 71 - 4.7=47, 11654/1.8=17...(7) H ASP 109 + HB2 GLU 21 OK 11 100 - 11 - 10352=3, 11654/1.8=2...(5) H LYS 65 - HB2 GLU 21 lone 5 100 - 5 - 9206/4.1=2, 11654/1.8=1 H THR 9 - HB2 GLU 21 lone 2 99 - 2 - H ARG 118 - HB2 GLU 21 lone 2 84 - 3 - H LEU 90 - HB2 GLU 21 lone 2 96 - 2 - H GLN 122 - HB2 GLU 21 lone 1 77 - 1 - H SER 72 - HB2 GLU 21 lone 1 73 - 1 - H HIS 131 - HB2 GLU 21 lone 0 57 - 1 - H GLY 26 - HB2 GLU 21 lone 0 61 - 0 - Peak 11656 from cnoeabs.peaks (8.04, 2.11, 35.31 ppm; 4.43 A): 3 out of 24 assignments used, quality = 0.93: H VAL 22 + HG2 GLU 21 OK 60 97 - 62 - 11655/3.0=28...(5) H VAL 22 + HG3 GLU 21 OK 60 96 - 62 - 11655/3.0=28...(5) H ASP 109 + HB VAL 107 OK 55 72 - 77 - 10346/3.0=32...(7) H ASP 109 - HG2 GLU 21 OK 15 96 - 15 - 11655/3.0=4, 10352=3...(5) H ASP 109 - HG3 GLU 21 OK 15 95 - 15 - 11655/3.0=4, 10352=3...(5) H LYS 65 - HB VAL 107 OK 15 75 - 19 - 10297/2.1=9, ~10307=4...(5) H LYS 65 - HG2 GLU 21 lone 8 98 - 8 - 9206/5.0=2, 11655/3.0=2 H LYS 65 - HG3 GLU 21 lone 8 98 - 8 - 9206/5.0=2, 11655/3.0=2 H LEU 90 - HB VAL 107 lone 8 78 - 10 - 10297/2.1=4, 1951/4.4=2, ~5781=2 H THR 9 - HG3 GLU 21 lone 4 100 - 4 - 11654/3.0=1 H THR 9 - HG2 GLU 21 lone 4 100 - 4 - 11654/3.0=1 H ARG 118 - HG2 GLU 21 lone 3 65 - 5 - 7.0/11173=2 H ARG 118 - HG3 GLU 21 lone 3 65 - 5 - 7.0/11173=2 H LEU 90 - HG2 GLU 21 lone 3 100 - 3 - H LEU 90 - HG3 GLU 21 lone 3 99 - 3 - H ARG 118 - HB VAL 107 lone 3 45 - 7 - 10297/2.1=2 H THR 9 - HB VAL 107 lone 3 79 - 4 - 10297/2.1=1 H GLN 122 - HB VAL 107 lone 2 68 - 3 - H GLN 122 - HG2 GLU 21 lone 2 92 - 2 - H GLN 122 - HG3 GLU 21 lone 2 91 - 2 - H VAL 22 - HB VAL 107 lone 2 73 - 3 - H HIS 131 - HG2 GLU 21 lone 1 77 - 1 - H HIS 131 - HG3 GLU 21 lone 1 76 - 1 - H HIS 131 - HB VAL 107 lone 0 54 - 1 - Peak 11657 from cnoeabs.peaks (1.09, 1.95, 32.47 ppm; 5.43 A): 1 out of 8 assignments used, quality = 0.79: HG2 LYS 19 + HB VAL 29 OK 79 94 - 84 - 10926/2.1=44...(9) QG2 ILE 3 - HB VAL 29 lone 6 87 - 7 - 4662/4644=1, 9029/3.8=1 QG2 ILE 3 - HB3 LYS 40 lone 3 70 - 4 - HG2 LYS 53 - HB VAL 29 lone 2 100 - 2 - HG2 LYS 19 - HB3 LYS 40 lone 2 78 - 3 - HD3 LYS 61 - HB VAL 29 lone 2 97 - 2 - HG2 LYS 53 - HB3 LYS 40 lone 1 87 - 2 - HD3 LYS 61 - HB3 LYS 40 lone 1 82 - 1 - Peak 11658 from cnoeabs.peaks (3.21, 1.81, 27.65 ppm; 6.20 A): 2 out of 4 assignments used, quality = 0.92: HB2 PHE 120 + HG12 ILE 5 OK 88 99 - 88 - ~11352=19, ~4709=15...(17) HA ILE 15 + HG12 ILE 5 OK 32 99 - 32 - ~1100=7, 2683/2.1=6...(12) HD2 ARG 95 - HG12 ILE 5 lone 3 96 - 3 - HD3 ARG 95 - HG12 ILE 5 lone 3 94 - 3 - Peak 11661 from cnoeabs.peaks (4.16, 1.68, 28.78 ppm; 4.11 A): 4 out of 45 assignments used, quality = 0.95: HA LEU 70 + HD2 LYS 73 OK 68 100 - 68 - 11081/3.0=21, 11077=13...(14) HA LEU 70 + HD3 LYS 73 OK 68 100 - 68 - 11081/3.0=21, 11077=13...(14) HA ARG 95 + HD3 LYS 96 OK 29 80 - 36 - 3.0/1632=5, 6020/1.8=4...(13) HA ARG 95 + HD2 LYS 96 OK 29 79 - 36 - 3.0/1632=5, 6020=5...(13) HA LEU 70 - HG12 ILE 71 OK 22 78 - 29 - 3.6/1469=9, 11077=5...(7) HA LEU 45 - HD3 LYS 73 OK 16 81 - 20 - 11080/3.0=4, ~1295=2...(10) HA LEU 45 - HD2 LYS 73 OK 16 80 - 20 - 11080/3.0=4, ~1295=2...(10) HA LEU 45 - HD3 LYS 96 OK 15 74 - 20 - ~266=4, ~265=3, ~7514=3...(7) HA LEU 45 - HD2 LYS 96 OK 15 72 - 20 - ~266=4, ~265=3, ~7514=3...(6) HA ARG 95 - HD3 LYS 43 poor 9 87 - 11 - ~597=2, 3.0/1632=2...(5) HA ARG 95 - HD3 LYS 73 poor 9 87 - 10 - 11080/3.0=1, 6020=1, 6020/1.8=1 HA ARG 95 - HD2 LYS 73 poor 9 87 - 10 - 11080/3.0=1, 6020/1.8=1, 6020=1 HA ARG 95 - HD2 LYS 43 poor 9 82 - 11 - ~597=2, 3.0/1632=2...(5) HA ARG 95 - HD3 LYS 20 poor 9 85 - 10 - 6020=1, 6020/1.8=1...(4) HA ARG 95 - HD2 LYS 20 poor 9 83 - 10 - 6020/1.8=1, 6020=1...(4) HA LEU 70 - HD3 LYS 20 lone 9 99 - 9 - 11077=2, 11077/1.8=1 HA LEU 70 - HD2 LYS 20 lone 8 99 - 9 - 11077=2, 11077/1.8=1 HA LEU 45 - HD3 LYS 20 lone 7 79 - 9 - 4.0/11533=1 HA LEU 45 - HD2 LYS 20 lone 7 77 - 9 - 4.0/11533=1 HA ALA 124 - HG12 ILE 71 poor 7 44 - 16 - ~5097=3, ~5104=3...(7) HA LEU 70 - HD3 LYS 96 lone 7 96 - 7 - 11077=1 HA LEU 70 - HD2 LYS 96 lone 7 95 - 7 - 11077=1 HA LEU 70 - HD3 LYS 43 lone 6 100 - 6 - HA LEU 70 - HD2 LYS 43 lone 5 97 - 5 - HA LEU 45 - HD2 LYS 43 lone 5 75 - 6 - ~268=1, ~267=1 HA LEU 45 - HD3 LYS 43 lone 4 81 - 5 - 3.0/267=1 HA ALA 124 - HD3 LYS 73 lone 3 65 - 4 - HA ALA 124 - HD2 LYS 73 lone 3 65 - 4 - HA ALA 124 - HD3 LYS 20 lone 2 64 - 3 - HA ALA 124 - HD2 LYS 20 lone 2 62 - 3 - HA ALA 124 - HD3 LYS 43 lone 2 65 - 3 - HA ALA 124 - HD2 LYS 43 lone 2 61 - 3 - HA LEU 45 - HG12 ILE 71 lone 2 56 - 3 - HA ALA 124 - HD3 LYS 96 lone 1 59 - 2 - HA ALA 124 - HD2 LYS 96 lone 1 58 - 2 - HA ARG 95 - HG12 ILE 71 lone 1 62 - 1 - HA GLU 89 - HD3 LYS 73 lone 1 77 - 1 - HA GLU 89 - HD2 LYS 73 lone 1 77 - 1 - HA GLU 89 - HD3 LYS 43 lone 0 77 - 1 - HA GLU 89 - HD3 LYS 20 lone 0 75 - 1 - HA GLU 89 - HD2 LYS 20 lone 0 74 - 1 - HA GLU 89 - HD3 LYS 96 lone 0 71 - 1 - HA GLU 89 - HD2 LYS 43 lone 0 72 - 1 - HA GLU 89 - HD2 LYS 96 lone 0 69 - 1 - HA GLU 89 - HG12 ILE 71 lone 0 53 - 1 - Peak 11662 from cnoeabs.peaks (1.67, 2.42, 35.05 ppm; 5.46 A): 0 out of 23 assignments used, low quality = 0.38: HG3 ARG 95 - HG2 GLU 91 OK 38 99 - 39 - 1.8/11663=24, ~11665=13 HD2 LYS 16 - HG2 GLU 91 lone 5 81 - 7 - 3.6/11663=3, 3.6/11663=3 HD3 LYS 16 - HG2 GLU 91 lone 5 70 - 7 - 3.6/11663=3, 3.6/11663=3 HD2 LYS 96 - HG2 GLU 91 lone 4 94 - 4 - ~11469=2 HD3 LYS 96 - HG2 GLU 91 lone 4 90 - 4 - ~11469=2 HD3 LYS 20 - HG2 GLU 91 lone 3 77 - 4 - 3.4/11663=1, 3.4/11663=1 HD2 LYS 20 - HG2 GLU 91 lone 3 73 - 4 - 3.4/11663=1, 3.4/11663=1 HB ILE 56 - HG2 GLU 91 lone 3 70 - 4 - 3.2/9549=1 HB ILE 54 - HG2 GLU 91 lone 3 92 - 3 - HD3 LYS 115 - HG2 GLU 91 lone 2 87 - 2 - HD3 LYS 40 - HG2 GLU 91 lone 1 94 - 1 - HD2 LYS 43 - HG2 GLU 91 lone 1 97 - 1 - HD2 LYS 17 - HG2 GLU 91 lone 1 94 - 1 - HD2 LYS 115 - HG2 GLU 91 lone 1 77 - 2 - HD2 LYS 40 - HG2 GLU 91 lone 1 92 - 1 - HD3 LYS 43 - HG2 GLU 91 lone 1 87 - 1 - HD2 LYS 65 - HG2 GLU 91 lone 1 70 - 2 - HD3 LYS 73 - HG2 GLU 91 lone 1 87 - 1 - HD2 LYS 73 - HG2 GLU 91 lone 1 84 - 1 - HB2 ARG 30 - HG2 GLU 91 lone 1 70 - 1 - HB2 GLU 52 - HG2 GLU 91 lone 1 77 - 1 - HD2 LYS 49 - HG2 GLU 91 lone 1 65 - 1 - HD3 LYS 49 - HG2 GLU 91 lone 1 65 - 1 - Peak 11663 from cnoeabs.peaks (1.87, 2.42, 35.05 ppm; 4.98 A): 0 out of 12 assignments used, low quality = 0.30: HG2 ARG 95 - HG2 GLU 91 OK 30 99 - 30 - 1.8/11662=15...(3) HB2 LEU 63 - HG2 GLU 91 lone 4 100 - 4 - ~10909=1 HB2 LYS 16 - HG2 GLU 91 lone 4 94 - 4 - 3.6/11662=2, 3.6/11662=2 HB3 LYS 16 - HG2 GLU 91 lone 4 92 - 4 - 3.6/11662=2, 3.6/11662=2 HB3 ARG 118 - HG2 GLU 91 lone 2 100 - 2 - HG LEU 127 - HG2 GLU 91 lone 2 84 - 2 - 808/7766=1 HB2 LYS 20 - HG2 GLU 91 lone 2 61 - 3 - 3.4/11662=1 HB3 LYS 20 - HG2 GLU 91 lone 2 61 - 3 - 3.4/11662=1 QE MET 42 - HG2 GLU 91 lone 2 99 - 2 - QE MET 67 - HG2 GLU 91 lone 1 94 - 1 - HG LEU 45 - HG2 GLU 91 lone 1 90 - 1 - HB2 ARG 105 - HG2 GLU 91 lone 1 81 - 1 - Peak 11665 from cnoeabs.peaks (2.29, 1.88, 27.31 ppm; 6.20 A): 3 out of 10 assignments used, quality = 0.61: HG3 GLU 91 + HG2 ARG 95 OK 50 100 - 51 - 1.8/11663=26, ~11662=18...(4) HG2 GLU 87 + HG2 ARG 95 OK 11 96 - 12 - 4.0/11427=2, 10107/2.9=2...(6) HG3 GLU 87 + HG2 ARG 95 OK 11 96 - 12 - 4.0/11427=2, 10107/2.9=2...(6) HG2 GLU 111 - HG2 ARG 95 lone 6 100 - 6 - 10107/2.9=1, 10107/2.9=1 HG2 GLU 47 - HG2 ARG 95 lone 5 96 - 5 - 11238/3.0=1 HG2 GLU 69 - HG2 ARG 95 lone 4 81 - 5 - HG3 GLU 111 - HG2 ARG 95 lone 4 65 - 5 - HB2 MET 121 - HG2 ARG 95 lone 4 100 - 3 - HB2 GLU 37 - HG2 ARG 95 lone 3 65 - 5 - HB3 ASN 8 - HG2 ARG 95 lone 2 81 - 3 - Peak 11669 from cnoeabs.peaks (0.89, 2.47, 39.05 ppm; 6.00 A): 4 out of 8 assignments used, quality = 0.76: QG2 VAL 104 + HB2 TYR 102 OK 52 100 - 52 - 10245/2.5=23...(5) QD2 LEU 38 + HB2 TYR 102 OK 36 100 - 37 - 11670/1.8=13...(4) QD2 LEU 70 + HB2 TYR 102 OK 12 73 - 16 - ~11369=4, 4691/2.5=4...(5) QD2 LEU 90 + HB2 TYR 102 OK 10 99 - 10 - 11670/1.8=4, 4691/2.5=2, ~4691=2 QG2 VAL 29 - HB2 TYR 102 lone 9 94 - 9 - 10245/2.5=3, 11670/1.8=3 QD1 LEU 70 - HB2 TYR 102 poor 9 61 - 14 - 4691/2.5=4, ~4691=3...(5) QD1 LEU 90 - HB2 TYR 102 lone 6 73 - 8 - ~11670=3, 4691/2.5=2, ~4691=2 QG2 VAL 107 - HB2 TYR 102 lone 4 61 - 7 - 11670/1.8=2, 2.1/10172=1 Peak 11670 from cnoeabs.peaks (0.88, 2.75, 39.05 ppm; 5.70 A): 3 out of 8 assignments used, quality = 0.71: QG2 VAL 104 + HB3 TYR 102 OK 50 100 - 51 - 10245/2.5=21...(5) QD2 LEU 38 + HB3 TYR 102 OK 35 97 - 36 - 2.1/9378=11...(6) QD2 LEU 90 + HB3 TYR 102 OK 11 100 - 11 - 11669/1.8=3...(5) QG2 VAL 29 - HB3 TYR 102 lone 7 81 - 9 - 10245/2.5=3, 11669/1.8=2 QG2 VAL 107 - HB3 TYR 102 lone 5 81 - 6 - 11669/1.8=1 QG1 VAL 32 - HB3 TYR 102 lone 3 77 - 4 - QG2 VAL 117 - HB3 TYR 102 lone 2 70 - 3 - QG2 THR 9 - HB3 TYR 102 lone 1 61 - 2 - Peak 11672 from cnoeabs.peaks (2.71, 0.87, 20.76 ppm; 5.64 A): 4 out of 7 assignments used, quality = 0.71: HB3 ASP 109 + QG2 VAL 107 OK 48 81 - 60 - 4.0/10297=24...(10) HG3 GLU 37 + QG2 VAL 107 OK 19 84 - 23 - 9368=4, 3.0/9365=3...(9) HE2 LYS 19 + QG2 VAL 107 OK 17 73 - 24 - 5.0/11460=11...(5) HE3 LYS 19 + QG2 VAL 107 OK 17 73 - 24 - 5.0/11460=11...(5) HB3 ASN 50 - QG2 VAL 107 lone 3 96 - 3 - HB2 ASN 50 - QG2 VAL 107 lone 3 94 - 3 - HE3 LYS 53 - QG2 VAL 107 lone 2 100 - 2 - Peak 11673 from cnoeabs.peaks (1.46, 0.72, 21.31 ppm; 6.00 A): 4 out of 14 assignments used, quality = 0.75: HG12 ILE 7 + QG1 VAL 117 OK 65 100 - 65 - ~9077=28, ~9076=16...(8) HB3 LEU 38 + QG1 VAL 117 OK 14 100 - 14 - ~11525=3, 1.8/10985=2...(5) HG2 LYS 106 + QG1 VAL 117 OK 10 100 - 10 - ~10507=2, ~10522=2...(5) HG12 ILE 57 + QG1 VAL 117 OK 10 100 - 10 - 10599/10510=2...(3) HB3 LEU 6 - QG1 VAL 117 lone 9 100 - 9 - 3.9/1048=2, ~11564=2...(4) HG LEU 4 - QG1 VAL 117 lone 4 97 - 4 - HG3 ARG 30 - QG1 VAL 117 lone 4 98 - 4 - HG2 LYS 39 - QG1 VAL 117 lone 3 100 - 3 - HG LEU 80 - QG1 VAL 117 lone 2 70 - 4 - HG2 LYS 49 - QG1 VAL 117 lone 2 100 - 2 - HG3 LYS 49 - QG1 VAL 117 lone 2 100 - 2 - HB2 LEU 74 - QG1 VAL 117 lone 2 96 - 2 - HG3 LYS 20 - QG1 VAL 117 lone 2 65 - 3 - HG2 LYS 96 - QG1 VAL 117 lone 1 65 - 2 - Peak 11676 from cnoeabs.peaks (1.75, 0.86, 22.48 ppm; 3.32 A): 3 out of 11 assignments used, quality = 0.65: HG2 LYS 17 + QD1 LEU 14 OK 51 99 - 51 - 1.8/11517=16, ~11518=8...(11) HG12 ILE 18 + QD1 LEU 14 OK 21 81 - 26 - 2.1/11652=10, ~11651=5...(7) HB2 LEU 114 + QD1 LEU 14 OK 10 73 - 14 - 3.0/11519=5, 3.0/10445=2...(4) HB3 LYS 49 - QD1 LEU 14 lone 3 99 - 3 - 3.9/11519=1, 3.9/11519=1 HB2 LEU 55 - QD1 LEU 14 lone 2 92 - 3 - HB3 LYS 94 - QD1 LEU 14 lone 2 73 - 2 - HD3 LYS 123 - QD1 LEU 14 lone 2 100 - 2 - HB2 LEU 68 - QD1 LEU 14 lone 2 99 - 2 - HB2 LEU 80 - QD1 LEU 14 lone 1 100 - 1 - HB3 LEU 82 - QD1 LEU 14 lone 1 77 - 1 - HG3 ARG 105 - QD1 LEU 14 lone 1 100 - 1 - Peak 11677 from cnoeabs.peaks (1.82, 2.81, 29.02 ppm; 6.20 A): 4 out of 11 assignments used, quality = 0.84: QE MET 121 + HB3 GLN 25 OK 74 84 - 88 - 10598=35, 10579/4.4=33...(7) HG12 ILE 5 + HB3 GLN 25 OK 21 92 - 23 - 9052/4579=14...(3) HB ILE 3 + HB3 GLN 25 OK 14 90 - 15 - 4591/4579=5, 4582/4578=5...(4) HB ILE 18 + HB3 GLN 25 OK 12 99 - 12 - 11448/3.0=2, 4591/4579=2...(5) HB ILE 57 - HB3 GLN 25 lone 10 98 - 10 - 11448/3.0=2, 4582/4578=2...(5) HB2 LEU 14 - HB3 GLN 25 lone 8 98 - 8 - 11448/3.0=2, 11429/3.0=1 HB ILE 97 - HB3 GLN 25 lone 8 94 - 8 - ~10116=3, 11448/3.0=2 HB3 ARG 105 - HB3 GLN 25 lone 6 100 - 6 - 11448/3.0=1 HB3 LYS 19 - HB3 GLN 25 lone 5 70 - 7 - 11448/3.0=2, 11012/4.4=1 HG2 ARG 105 - HB3 GLN 25 lone 4 87 - 5 - HB2 ARG 118 - HB3 GLN 25 lone 1 65 - 2 - Peak 11680 from cnoeabs.peaks (5.00, 1.78, 33.88 ppm; 5.70 A): 2 out of 2 assignments used, quality = 0.89: HA SER 58 + HB VAL 32 OK 77 92 - 84 - 9285/3.9=37...(9) HA ASN 33 + HB VAL 32 OK 52 57 - 91 - ~7447=34, ~7445=32...(11) Peak 11681 from cnoeabs.peaks (5.10, 1.78, 33.88 ppm; 5.56 A): 1 out of 1 assignment used, quality = 0.80: HG SER 58 + HB VAL 32 OK 80 94 - 85 - 11712/2.1=36...(8) Peak 11682 from cnoeabs.peaks (5.21, 1.78, 33.88 ppm; 5.22 A): 1 out of 2 assignments used, quality = 0.55: HA ASP 31 + HB VAL 32 OK 55 100 - 55 - 179/3.9=45, ~9273=13...(4) HA VAL 104 - HB VAL 32 lone 1 61 - 2 - Peak 11683 from cnoeabs.peaks (9.01, 2.91, 42.40 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.91: H GLU 37 + HB2 ASP 34 OK 91 100 - 91 - 11684/3.0=49...(8) Peak 11684 from cnoeabs.peaks (9.01, 4.70, 53.48 ppm; 3.88 A): 1 out of 1 assignment used, quality = 0.58: H GLU 37 + HA ASP 34 OK 58 100 - 58 - 9327/3.0=27, 2024/3.6=17...(6) Peak 11685 from cnoeabs.peaks (1.02, 1.87, 17.86 ppm; 4.53 A): 1 out of 5 assignments used, quality = 0.58: HG13 ILE 71 + QE MET 42 OK 58 100 - 58 - 2.1/9432=26, 3.9/9426=20...(6) HB2 PHE 79 - QE MET 42 poor 8 65 - 11 - 2.4/9409=6, 4.5/9405=2 HG3 LYS 2 - QE MET 42 lone 5 90 - 5 - 3.9/11222=1, 2.9/11532=1 HG2 LYS 61 - QE MET 42 lone 4 99 - 4 - 4.1/9426=2 QD1 LEU 127 - QE MET 42 lone 4 87 - 5 - 10832/9409=1 Peak 11686 from cnoeabs.peaks (3.40, 0.84, 17.77 ppm; 5.48 A): 1 out of 1 assignment used, quality = 0.50: HB3 SER 58 + QG2 ILE 57 OK 50 70 - 73 - 4.0/348=27, 3.0/9607=20...(9) Peak 11687 from cnoeabs.peaks (3.22, 0.84, 17.77 ppm; 6.20 A): 2 out of 4 assignments used, quality = 0.73: HA ILE 15 + QG2 ILE 57 OK 63 100 - 63 - 9559/3.0=29, 7986/4.0=14...(13) HB2 PHE 120 + QG2 ILE 57 OK 27 99 - 27 - 9559/3.0=7, 10562=4...(10) HD2 ARG 95 - QG2 ILE 57 lone 5 100 - 5 - 9559/3.0=2, ~9559=1 HD3 ARG 95 - QG2 ILE 57 lone 5 100 - 5 - ~9559=1, 9559/3.0=1 Peak 11688 from cnoeabs.peaks (5.90, 0.81, 24.93 ppm; 4.56 A): 2 out of 2 assignments used, quality = 0.75: HA ASN 8 + QD1 LEU 64 OK 68 100 - 68 - 3.0/9104=18, 9099=18...(12) HA ASN 8 + QD1 LEU 114 OK 22 65 - 33 - 3.0/9104=10, 9099=7...(7) Peak 11689 from cnoeabs.peaks (7.37, 0.81, 24.93 ppm; 5.44 A): 4 out of 4 assignments used, quality = 0.88: HD21 ASN 8 + QD1 LEU 64 OK 66 99 - 67 - 4.5/11688=25...(9) H TYR 76 + QD1 LEU 64 OK 43 98 - 43 - 9833/2.1=17, 9830/2.1=8...(9) HD21 ASN 8 + QD1 LEU 114 OK 25 63 - 40 - 3.5/9104=12, 9106=9...(6) H TYR 76 + QD1 LEU 114 OK 14 61 - 23 - 9833=7, 9830/2.1=5...(6) Peak 11691 from cnoeabs.peaks (1.21, 1.84, 32.22 ppm; 4.26 A): 2 out of 6 assignments used, quality = 0.49: HG13 ILE 3 + HB3 LYS 77 OK 29 73 - 40 - 2.1/11086=14...(5) HG13 ILE 3 + HB2 LYS 77 OK 28 73 - 39 - 2.1/11086=14...(5) HB3 LEU 74 - HB3 LYS 77 lone 3 94 - 3 - 4657/4652=3 HB3 LEU 74 - HB2 LYS 77 lone 3 93 - 3 - 4657/4652=3 HG13 ILE 3 - HB3 LYS 19 lone 1 58 - 2 - HB3 LEU 74 - HB3 LYS 19 lone 1 78 - 1 - Peak 11693 from cnoeabs.peaks (6.77, 2.08, 40.18 ppm; 6.20 A): 0 out of 4 assignments used, low quality = 0.39: QD PHE 120 - HB3 PHE 79 OK 39 57 - 68 - ~4723=35, ~4640=29...(10) QD TYR 27 - HB3 PHE 79 poor 10 65 - 15 - 9049/9905=3, ~4640=3...(5) HD22 ASN 59 - HB3 PHE 79 lone 2 81 - 3 - HE22 GLN 100 - HB3 PHE 79 lone 2 81 - 2 - Peak 11694 from cnoeabs.peaks (2.75, 0.78, 25.50 ppm; 5.22 A): 1 out of 5 assignments used, quality = 0.71: HB3 TYR 102 + QD1 LEU 80 OK 71 100 - 71 - 2.5/9935=32, 10176=18...(9) HG3 MET 42 - QD1 LEU 80 lone 9 90 - 10 - ~11094=2, 3.3/9431=2...(4) HB3 ASN 11 - QD1 LEU 80 lone 3 98 - 3 - HE2 LYS 2 - QD1 LEU 80 lone 1 96 - 2 - HB2 ASP 60 - QD1 LEU 80 lone 1 77 - 2 - Peak 11696 from cnoeabs.peaks (3.26, 0.71, 25.86 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.64: HA VAL 117 + QD2 LEU 81 OK 64 100 - 64 - 3.0/9947=23...(10) Peak 11697 from cnoeabs.peaks (1.75, 2.66, 43.77 ppm; 6.20 A): 0 out of 11 assignments used, low quality = 0.17: HB3 LYS 49 - HB3 ASP 84 OK 17 99 - 17 - 11698/1.8=6, 3.9/11700=4...(4) HB2 LEU 80 - HB3 ASP 84 lone 10 100 - 10 - 11698/1.8=4...(3) HG3 ARG 105 - HB3 ASP 84 lone 9 100 - 9 - 4.9/11298=4, 11698/1.8=3 HB2 LEU 55 - HB3 ASP 84 lone 7 92 - 8 - 11698/1.8=3...(3) HB3 LEU 82 - HB3 ASP 84 lone 5 77 - 7 - 9965/11570=2, 9965/10025=2 HB3 LYS 94 - HB3 ASP 84 lone 3 73 - 5 - 10979/11570=1 HB2 LEU 114 - HB3 ASP 84 lone 3 73 - 5 - 3.0/11700=2, ~11699=1 HG2 LYS 17 - HB3 ASP 84 lone 3 99 - 3 - HD3 LYS 123 - HB3 ASP 84 lone 3 100 - 3 - HB2 LEU 68 - HB3 ASP 84 lone 3 99 - 3 - HG12 ILE 18 - HB3 ASP 84 lone 2 81 - 3 - Peak 11698 from cnoeabs.peaks (1.76, 2.59, 43.77 ppm; 5.73 A): 3 out of 10 assignments used, quality = 0.72: HB2 LEU 90 + HB2 ASP 84 OK 62 70 - 89 - 3.1/11571=40, ~11570=32...(9) HB3 LYS 49 + HB2 ASP 84 OK 18 99 - 18 - 11697/1.8=8, 3.9/11699=4...(4) HB2 LEU 80 + HB2 ASP 84 OK 11 98 - 12 - 11697/1.8=5...(3) HG3 ARG 105 - HB2 ASP 84 lone 9 97 - 9 - 11697/1.8=4, 4.9/11297=4 HB2 LEU 55 - HB2 ASP 84 lone 9 100 - 9 - 11697/1.8=4, 9502/10024=1 HB VAL 32 - HB2 ASP 84 lone 3 70 - 4 - ~10025=1, ~10026=1 HG2 LYS 17 - HB2 ASP 84 lone 3 99 - 3 - 11697/1.8=1 HD3 LYS 123 - HB2 ASP 84 lone 3 90 - 3 - 11697/1.8=1 HG12 ILE 18 - HB2 ASP 84 lone 3 98 - 3 - 11697/1.8=1 HB2 LEU 68 - HB2 ASP 84 lone 2 87 - 3 - 11697/1.8=1 Peak 11699 from cnoeabs.peaks (1.65, 2.59, 43.77 ppm; 5.04 A): 3 out of 12 assignments used, quality = 0.83: HG LEU 90 + HB2 ASP 84 OK 77 90 - 86 - 2.1/11571=40, ~11570=32...(8) HD3 LYS 49 + HB2 ASP 84 OK 15 100 - 15 - 10022/4.1=4, 11700/1.8=4...(4) HD2 LYS 49 + HB2 ASP 84 OK 15 100 - 15 - 10022/4.1=4, 11700/1.8=4...(4) HD2 LYS 65 - HB2 ASP 84 lone 6 99 - 6 - 10022/4.1=2, 11700/1.8=1 HD3 LYS 65 - HB2 ASP 84 lone 6 100 - 6 - 10022/4.1=2, 11700/1.8=1 HG LEU 114 - HB2 ASP 84 lone 5 100 - 5 - 10022/4.1=2, 11700/1.8=1 HD2 LYS 115 - HB2 ASP 84 lone 5 98 - 5 - 10022/4.1=2, 11700/1.8=1 HD3 LYS 115 - HB2 ASP 84 lone 4 94 - 5 - 10022/4.1=2, 11700/1.8=1 HB2 ARG 30 - HB2 ASP 84 lone 4 99 - 4 - 10022/4.1=2 HB2 GLU 52 - HB2 ASP 84 lone 3 98 - 3 - 10022/4.1=2 HB ILE 5 - HB2 ASP 84 lone 3 99 - 3 - 10022/4.1=1 HG LEU 64 - HB2 ASP 84 lone 3 96 - 3 - 10022/4.1=1 Peak 11700 from cnoeabs.peaks (1.65, 2.66, 43.77 ppm; 5.75 A): 3 out of 12 assignments used, quality = 0.89: HG LEU 90 + HB3 ASP 84 OK 82 90 - 92 - ~11571=40, 2.1/11570=34...(9) HD3 LYS 49 + HB3 ASP 84 OK 21 100 - 21 - 3.9/11697=7, 10022/4.1=6...(4) HD2 LYS 49 + HB3 ASP 84 OK 21 100 - 21 - 3.9/11697=7, 10022/4.1=6...(4) HD2 LYS 65 - HB3 ASP 84 lone 8 99 - 8 - 10022/4.1=3, 11699/1.8=2 HD3 LYS 65 - HB3 ASP 84 lone 8 100 - 8 - 10022/4.1=3, 11699/1.8=2 HG LEU 114 - HB3 ASP 84 lone 7 100 - 7 - 10022/4.1=2, 3.0/11697=2 HD2 LYS 115 - HB3 ASP 84 lone 6 98 - 6 - 10022/4.1=2, 11699/1.8=2 HD3 LYS 115 - HB3 ASP 84 lone 6 94 - 6 - 10022/4.1=2, 11699/1.8=1 HB2 ARG 30 - HB3 ASP 84 lone 5 99 - 5 - 10022/4.1=2, 11699/1.8=1 HB2 GLU 52 - HB3 ASP 84 lone 4 98 - 4 - 10022/4.1=2, 11699/1.8=1 HB ILE 5 - HB3 ASP 84 lone 4 99 - 4 - 10022/4.1=1, 11699/1.8=1 HG LEU 64 - HB3 ASP 84 lone 4 96 - 4 - 10022/4.1=2 Peak 11701 from cnoeabs.peaks (2.60, 1.78, 42.46 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.87: HB2 ASP 84 + HB2 LEU 90 OK 87 96 - 91 - 11571/3.1=47, ~11570=36...(9) HG3 MET 1 - HB2 LEU 90 lone 3 98 - 3 - Peak 11702 from cnoeabs.peaks (8.66, 4.15, 59.10 ppm; 4.70 A): 1 out of 3 assignments used, quality = 0.64: H GLU 98 + HA ARG 95 OK 64 90 - 71 - 2174=32, 4.0/8219=21...(7) H VAL 104 - HA ARG 95 lone 6 96 - 7 - 8216/4.8=3 H GLU 87 - HA ARG 95 lone 2 70 - 3 - Peak 11703 from cnoeabs.peaks (7.21, 1.68, 28.78 ppm; 5.11 A): 0 out of 27 assignments used, low quality = 0.00: QD PHE 93 - HD3 LYS 96 lone 5 91 - 5 - 3.7/11310=4 QD PHE 93 - HD2 LYS 96 lone 4 90 - 5 - 3.7/11310=4 QD PHE 93 - HD3 LYS 43 lone 3 97 - 3 - HE21 GLN 83 - HD3 LYS 43 lone 3 84 - 3 - 11704/2.9=1, ~11704=1 HE22 GLN 83 - HD3 LYS 43 lone 3 81 - 3 - 11704/2.9=1, ~11704=1 QD PHE 93 - HD2 LYS 43 lone 2 93 - 3 - HE21 GLN 83 - HD2 LYS 43 lone 2 78 - 3 - 11704/2.9=1, ~11704=1 HE22 GLN 83 - HD2 LYS 43 lone 2 75 - 3 - 11704/2.9=1, ~11704=1 QD PHE 93 - HG12 ILE 71 lone 2 73 - 3 - ~4679=1 QD PHE 93 - HD3 LYS 20 lone 2 96 - 2 - QD PHE 93 - HD2 LYS 20 lone 2 94 - 2 - QD PHE 93 - HD3 LYS 73 lone 1 97 - 1 - QD PHE 93 - HD2 LYS 73 lone 1 97 - 1 - HE21 GLN 83 - HD3 LYS 20 lone 1 82 - 1 - HE21 GLN 83 - HD3 LYS 73 lone 1 84 - 1 - HE21 GLN 83 - HD2 LYS 20 lone 1 80 - 1 - HE21 GLN 83 - HD2 LYS 73 lone 1 84 - 1 - HE22 GLN 83 - HD3 LYS 20 lone 1 79 - 1 - HE22 GLN 83 - HD3 LYS 73 lone 1 81 - 1 - HE22 GLN 83 - HD2 LYS 20 lone 1 77 - 1 - HE22 GLN 83 - HD2 LYS 73 lone 1 80 - 1 - HE21 GLN 83 - HD3 LYS 96 lone 1 77 - 1 - HE21 GLN 83 - HD2 LYS 96 lone 1 76 - 1 - HE22 GLN 83 - HD3 LYS 96 lone 1 74 - 1 - HE22 GLN 83 - HD2 LYS 96 lone 1 72 - 1 - HE21 GLN 83 - HG12 ILE 71 lone 1 59 - 1 - HE22 GLN 83 - HG12 ILE 71 lone 1 56 - 1 - Peak 11705 from cnoeabs.peaks (0.75, 0.96, 27.65 ppm; 3.51 A): 4 out of 11 assignments used, quality = 0.89: QG2 ILE 54 + HG13 ILE 56 OK 64 100 - 64 - 11708=36, 11355/4.6=13...(8) QD1 LEU 63 + HG13 ILE 56 OK 44 99 - 44 - 11706/1.8=11...(11) QD2 LEU 55 + HG13 ILE 56 OK 34 92 - 37 - 7574/4.6=12, 9521/4.0=8...(8) QD2 LEU 6 + HG13 ILE 56 OK 22 90 - 25 - 11559/4.6=9, 11706/1.8=5...(7) QG1 VAL 107 - HG13 ILE 56 poor 10 70 - 14 - 11707/2.1=3, 11706/1.8=2...(7) QD1 LEU 45 - HG13 ILE 56 lone 8 96 - 8 - 11707/2.1=2, 11706/1.8=1 QG2 VAL 32 - HG13 ILE 56 lone 5 70 - 8 - ~10791=3, 11707/2.1=1 QG2 ILE 7 - HG13 ILE 56 lone 4 100 - 4 - 337/4.6=1 HG13 ILE 18 - HG13 ILE 56 lone 2 70 - 3 - QD2 LEU 14 - HG13 ILE 56 lone 2 70 - 3 - QD1 ILE 15 - HG13 ILE 56 lone 1 65 - 1 - Peak 11706 from cnoeabs.peaks (0.75, 1.43, 27.65 ppm; 3.06 A): 4 out of 11 assignments used, quality = 0.79: QG2 ILE 54 + HG12 ILE 56 OK 42 100 - 42 - 11708/1.8=21...(4) QD1 LEU 63 + HG12 ILE 56 OK 39 99 - 39 - 4747=9, 11707/2.1=8...(13) QD2 LEU 55 + HG12 ILE 56 OK 26 92 - 29 - 7574/4.6=8, 9521/4.0=6...(7) QD2 LEU 6 + HG12 ILE 56 OK 18 90 - 20 - 11559/4.6=6, 4747=4...(6) QG1 VAL 107 - HG12 ILE 56 poor 8 70 - 11 - 11707/2.1=2, 2.1/10315=2...(7) QD1 LEU 45 - HG12 ILE 56 lone 5 96 - 5 - 11707/2.1=1, 11705/1.8=1 QG2 VAL 32 - HG12 ILE 56 lone 3 70 - 5 - ~10791=2, 11707/2.1=1 QG2 ILE 7 - HG12 ILE 56 lone 3 100 - 3 - HG13 ILE 18 - HG12 ILE 56 lone 2 70 - 3 - QD2 LEU 14 - HG12 ILE 56 lone 2 70 - 2 - QD1 ILE 15 - HG12 ILE 56 lone 0 65 - 1 - Peak 11707 from cnoeabs.peaks (0.75, 0.66, 12.57 ppm; 2.97 A): 4 out of 11 assignments used, quality = 0.73: QG2 ILE 54 + QD1 ILE 56 OK 39 100 - 39 - 11708/2.1=18...(5) QD1 LEU 63 + QD1 ILE 56 OK 32 96 - 33 - 11706/2.1=8, 3.1/9547=6...(11) QD2 LEU 55 + QD1 ILE 56 OK 23 84 - 27 - 4.6/1368=8, 11706/2.1=5...(6) QD2 LEU 6 + QD1 ILE 56 OK 15 81 - 18 - 11559/4.9=4, 11706/2.1=4...(7) QG1 VAL 107 - QD1 ILE 56 poor 9 81 - 10 - 2.1/11417=2, 11706/2.1=2...(6) QD1 LEU 45 - QD1 ILE 56 lone 5 99 - 5 - QG2 VAL 32 - QD1 ILE 56 lone 4 81 - 5 - ~10791=3 QG2 ILE 7 - QD1 ILE 56 lone 3 99 - 3 - QD2 LEU 14 - QD1 ILE 56 lone 2 81 - 3 - QD1 ILE 15 - QD1 ILE 56 lone 1 77 - 1 - QD1 ILE 7 - QD1 ILE 56 lone 1 65 - 1 - Peak 11708 from cnoeabs.peaks (0.96, 0.75, 17.84 ppm; 3.60 A): 1 out of 5 assignments used, quality = 0.54: HG13 ILE 56 + QG2 ILE 54 OK 54 100 - 54 - 11705=16, 4.6/11355=14...(8) QD1 LEU 38 - QG2 ILE 54 lone 6 99 - 6 - HD3 LYS 2 - QG2 ILE 54 lone 5 100 - 5 - 3.0/11504=2, 1.8/9470=1, ~9469=1 QD1 ILE 3 - QG2 ILE 54 lone 4 87 - 5 - 7308/10665=2, ~9009=1 HG13 ILE 116 - QG2 ILE 54 lone 0 84 - 1 - Peak 11709 from cnoeabs.peaks (0.67, 0.73, 29.49 ppm; 4.44 A): 3 out of 7 assignments used, quality = 0.90: QD2 LEU 114 + HG13 ILE 18 OK 86 100 - 86 - 11629/1.8=36...(13) QD1 LEU 55 + HG13 ILE 18 OK 15 87 - 17 - ~11487=3, 11710/1.8=3...(5) QD2 LEU 4 + HG13 ILE 18 OK 13 98 - 13 - 11710/1.8=3, 3.1/11528=2...(5) QD1 ILE 116 - HG13 ILE 18 lone 7 96 - 7 - 11710/1.8=2, 10420/10419=1 QD1 ILE 56 - HG13 ILE 18 lone 6 90 - 7 - 11027/3.8=2, 11710/1.8=2 QG2 ILE 97 - HG13 ILE 18 lone 5 92 - 5 - 10114/2.9=2, 11710/1.8=2 QD1 ILE 71 - HG13 ILE 18 lone 2 65 - 2 - Peak 11710 from cnoeabs.peaks (0.67, 1.76, 29.49 ppm; 3.97 A): 1 out of 7 assignments used, quality = 0.83: QD2 LEU 114 + HG12 ILE 18 OK 83 100 - 83 - 11629=32, 10439/3.8=27...(12) QD1 LEU 55 - HG12 ILE 18 lone 8 77 - 10 - 11709/1.8=3, ~11487=2...(4) QD2 LEU 4 - HG12 ILE 18 lone 7 94 - 8 - 11709/1.8=3, 11027/3.8=1 QD1 ILE 116 - HG12 ILE 18 lone 5 90 - 6 - 10420/11010=2, 11709/1.8=2 QD1 ILE 56 - HG12 ILE 18 lone 5 96 - 5 - 11027/3.8=2, 11709/1.8=2 QG2 ILE 97 - HG12 ILE 18 lone 4 84 - 5 - 10114/2.9=1, 11107=1 QD1 ILE 71 - HG12 ILE 18 lone 1 77 - 2 - Peak 11711 from cnoeabs.peaks (0.80, 1.76, 29.49 ppm; 4.29 A): 1 out of 7 assignments used, quality = 0.72: QD1 LEU 114 + HG12 ILE 18 OK 72 100 - 72 - 2.1/11629=29...(10) QD1 LEU 81 - HG12 ILE 18 lone 5 77 - 6 - 11028/3.8=2, 11633/2.9=1 QD1 LEU 64 - HG12 ILE 18 lone 4 92 - 5 - 10438/9602=1 QG1 VAL 29 - HG12 ILE 18 lone 4 99 - 4 - 11028/3.8=1, 4.0/2921=1 QG2 ILE 71 - HG12 ILE 18 lone 1 84 - 2 - QD1 LEU 74 - HG12 ILE 18 lone 1 84 - 1 - QD2 LEU 74 - HG12 ILE 18 lone 0 77 - 1 - Peak 11712 from cnoeabs.peaks (5.10, 0.87, 21.73 ppm; 5.92 A): 1 out of 1 assignment used, quality = 0.76: HG SER 58 + QG1 VAL 32 OK 76 87 - 87 - 11681/2.1=43...(8) Peak 11713 from cnoeabs.peaks (5.09, 0.76, 21.14 ppm; 6.20 A): 1 out of 1 assignment used, quality = 0.90: HG SER 58 + QG2 VAL 32 OK 90 100 - 90 - 11681/2.1=42...(8) Peak 11716 from cnoeabs.peaks (1.79, 2.37, 39.01 ppm; 6.20 A): 3 out of 10 assignments used, quality = 0.84: HG12 ILE 5 + HB3 TYR 27 OK 58 73 - 79 - 9052/4.4=23, ~9054=15...(12) HB3 GLN 28 + HB3 TYR 27 OK 43 95 - 45 - 4.0/152=42, 11481/9217=1 HB ILE 3 + HB3 TYR 27 OK 32 77 - 42 - ~9020=32, 9222/4.4=7, 4582/2.5=6 HB2 LYS 19 - HB3 TYR 27 lone 10 100 - 10 - ~4584=3, 1181/4.2=3 HB ILE 97 - HB3 TYR 27 lone 7 69 - 10 - 2.1/10116=3, ~4585=2, 4.4/1656=1 HB VAL 32 - HB3 TYR 27 lone 5 77 - 6 - 1181/4.2=4 HG2 ARG 105 - HB3 TYR 27 lone 3 80 - 4 - HB2 LEU 64 - HB3 TYR 27 lone 3 100 - 3 - HB2 LEU 90 - HB3 TYR 27 lone 3 77 - 3 - 1181/4.2=1 HB2 ARG 118 - HB3 TYR 27 lone 2 95 - 3 - Peak 11717 from cnoeabs.peaks (9.12, 2.37, 39.01 ppm; 6.20 A): 1 out of 2 assignments used, quality = 0.66: H LEU 55 + HB3 TYR 27 OK 66 80 - 82 - 9230/4.2=39, 11715=27...(5) H ARG 30 - HB3 TYR 27 lone 2 65 - 3 - Peak 11718 from cnoeabs.peaks (0.53, 1.52, 27.91 ppm; 6.20 A): 0 out of 0 assignments used, low quality = 0.00: Peak 4501 from aronoe.peaks (4.44, 6.79, 132.65 ppm; 4.43 A): 1 out of 1 assignment used, quality = 0.96: * HA TYR 27 + QD TYR 27 OK 96 96 - 100 - 3.7=100 Peak 4502 from aronoe.peaks (2.66, 6.79, 132.65 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 27 + QD TYR 27 OK 100 100 - 100 - 2.5=100 Peak 4503 from aronoe.peaks (2.37, 6.79, 132.65 ppm; 3.39 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 27 + QD TYR 27 OK 100 100 - 100 - 2.5=100 Peak 4504 from aronoe.peaks (6.79, 6.79, 132.65 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 27 + QD TYR 27 OK 100 100 - 100 Peak 4505 from aronoe.peaks (6.58, 6.79, 132.65 ppm; 2.82 A): 1 out of 1 assignment used, quality = 1.00: * QE TYR 27 + QD TYR 27 OK 100 100 - 100 - 2.2=100 Peak 4506 from aronoe.peaks (6.79, 6.58, 117.79 ppm; 2.87 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 27 + QE TYR 27 OK 100 100 - 100 - 2.2=100 Peak 4507 from aronoe.peaks (6.58, 6.58, 117.79 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE TYR 27 + QE TYR 27 OK 100 100 - 100 Peak 4508 from aronoe.peaks (4.77, 7.13, 131.73 ppm; 3.89 A): 1 out of 1 assignment used, quality = 0.94: * HA PHE 51 + QD PHE 51 OK 94 94 - 100 - 3.7=100 Peak 4509 from aronoe.peaks (3.02, 7.13, 131.73 ppm; 3.87 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 51 + QD PHE 51 OK 100 100 - 100 - 2.4=100 Peak 4510 from aronoe.peaks (2.97, 7.13, 131.73 ppm; 3.74 A): 1 out of 1 assignment used, quality = 0.97: * HB3 PHE 51 + QD PHE 51 OK 97 97 - 100 - 2.4=100 Peak 4511 from aronoe.peaks (7.13, 7.13, 131.73 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 51 + QD PHE 51 OK 100 100 - 100 Peak 4520 from aronoe.peaks (4.78, 6.86, 132.04 ppm; 3.51 A): 1 out of 3 assignments used, quality = 0.91: * HA TYR 76 + QD TYR 76 OK 91 100 - 91 - 3.7=83, 3.0/1503=27...(4) HA THR 108 - QD TYR 76 lone 1 100 - 1 - HA PHE 51 - QD TYR 76 lone 0 57 - 0 - Peak 4521 from aronoe.peaks (2.66, 6.86, 132.04 ppm; 3.68 A): 1 out of 1 assignment used, quality = 1.00: * HB2 TYR 76 + QD TYR 76 OK 100 100 - 100 - 2.5=100 Peak 4522 from aronoe.peaks (2.85, 6.86, 132.04 ppm; 3.78 A): 1 out of 1 assignment used, quality = 1.00: * HB3 TYR 76 + QD TYR 76 OK 100 100 - 100 - 2.5=100 Peak 4523 from aronoe.peaks (6.86, 6.86, 132.04 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 76 + QD TYR 76 OK 100 100 - 100 Peak 4524 from aronoe.peaks (6.71, 6.86, 132.04 ppm; 2.96 A): 1 out of 1 assignment used, quality = 1.00: * QE TYR 76 + QD TYR 76 OK 100 100 - 100 - 2.2=100 Peak 4525 from aronoe.peaks (6.86, 6.71, 118.08 ppm; 2.98 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 76 + QE TYR 76 OK 100 100 - 100 - 2.2=100 Peak 4526 from aronoe.peaks (6.71, 6.71, 118.08 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QE TYR 76 + QE TYR 76 OK 100 100 - 100 QE TYR 102 + QE TYR 102 OK 94 94 - 100 Peak 4527 from aronoe.peaks (4.57, 6.72, 131.81 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * HA PHE 79 + QD PHE 79 OK 100 100 - 100 - 3.7=100 Peak 4528 from aronoe.peaks (1.04, 6.72, 131.81 ppm; 3.58 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 79 + QD PHE 79 OK 100 100 - 100 - 2.4=100 Peak 4529 from aronoe.peaks (2.08, 6.72, 131.81 ppm; 3.37 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 79 + QD PHE 79 OK 100 100 - 100 - 2.4=100 Peak 4530 from aronoe.peaks (6.72, 6.72, 131.81 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 79 + QD PHE 79 OK 100 100 - 100 Peak 4531 from aronoe.peaks (7.10, 6.72, 131.81 ppm; 2.80 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 79 + QD PHE 79 OK 100 100 - 100 - 2.2=100 Peak 4532 from aronoe.peaks (6.99, 6.72, 131.81 ppm; 3.80 A): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 79 + QD PHE 79 OK 100 100 - 100 - 3.8=100 Peak 4533 from aronoe.peaks (6.72, 7.10, 130.14 ppm; 2.91 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 79 + QE PHE 79 OK 100 100 - 100 - 2.2=100 Peak 4534 from aronoe.peaks (7.10, 7.10, 130.14 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 79 + QE PHE 79 OK 100 100 - 100 Peak 4535 from aronoe.peaks (6.99, 7.10, 130.14 ppm; 2.91 A): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 79 + QE PHE 79 OK 100 100 - 100 - 2.2=100 Peak 4536 from aronoe.peaks (6.72, 6.99, 128.17 ppm; 4.16 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 79 + HZ PHE 79 OK 100 100 - 100 - 3.8=100 Peak 4537 from aronoe.peaks (7.10, 6.99, 128.17 ppm; 3.11 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 79 + HZ PHE 79 OK 100 100 - 100 - 2.2=100 Peak 4538 from aronoe.peaks (6.99, 6.99, 128.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 79 + HZ PHE 79 OK 100 100 - 100 Peak 4539 from aronoe.peaks (4.34, 7.22, 131.52 ppm; 4.12 A): 1 out of 1 assignment used, quality = 0.99: * HA PHE 93 + QD PHE 93 OK 99 99 - 100 - 3.7=100 Peak 4540 from aronoe.peaks (3.29, 7.22, 131.52 ppm; 4.19 A): 1 out of 1 assignment used, quality = 0.99: * HB2 PHE 93 + QD PHE 93 OK 99 99 - 100 - 2.4=100 Peak 4541 from aronoe.peaks (3.04, 7.22, 131.52 ppm; 3.84 A): 1 out of 1 assignment used, quality = 0.99: * HB3 PHE 93 + QD PHE 93 OK 99 99 - 100 - 2.4=100 Peak 4542 from aronoe.peaks (7.22, 7.22, 131.52 ppm; diagonal): 1 out of 1 assignment used, quality = 0.97: * QD PHE 93 + QD PHE 93 OK 97 97 - 100 Peak 4543 from aronoe.peaks (7.14, 7.22, 131.52 ppm; 3.06 A): 1 out of 1 assignment used, quality = 0.99: * QE PHE 93 + QD PHE 93 OK 99 99 - 100 - 2.2=100 Peak 4545 from aronoe.peaks (7.22, 7.14, 130.55 ppm; 3.00 A): 1 out of 1 assignment used, quality = 0.99: * QD PHE 93 + QE PHE 93 OK 99 99 - 100 - 2.2=100 Peak 4546 from aronoe.peaks (7.14, 7.14, 130.55 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 93 + QE PHE 93 OK 100 100 - 100 Peak 4550 from aronoe.peaks (7.08, 7.08, 129.17 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 93 + HZ PHE 93 OK 100 100 - 100 Peak 4551 from aronoe.peaks (4.67, 6.98, 132.43 ppm; 3.63 A): 1 out of 3 assignments used, quality = 0.95: * HA TYR 102 + QD TYR 102 OK 95 100 - 95 - 3.7=91, 3.0/4697=25...(5) HA LYS 53 - QD TYR 102 lone 1 70 - 2 - HA ASP 86 - QD TYR 102 lone 1 84 - 1 - Peak 4552 from aronoe.peaks (2.47, 6.98, 132.43 ppm; 3.40 A): 1 out of 1 assignment used, quality = 0.98: * HB2 TYR 102 + QD TYR 102 OK 98 98 - 100 - 2.5=100 Peak 4553 from aronoe.peaks (2.75, 6.98, 132.43 ppm; 3.42 A): 1 out of 1 assignment used, quality = 0.99: * HB3 TYR 102 + QD TYR 102 OK 99 99 - 100 - 2.5=100 Peak 4554 from aronoe.peaks (6.98, 6.98, 132.43 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD TYR 102 + QD TYR 102 OK 100 100 - 100 Peak 4555 from aronoe.peaks (6.72, 6.98, 132.43 ppm; 2.69 A): 1 out of 1 assignment used, quality = 1.00: * QE TYR 102 + QD TYR 102 OK 100 100 - 100 - 2.2=100 Peak 4556 from aronoe.peaks (6.98, 6.72, 118.20 ppm; 2.72 A): 1 out of 1 assignment used, quality = 1.00: * QD TYR 102 + QE TYR 102 OK 100 100 - 100 - 2.2=100 Peak 4557 from aronoe.peaks (6.72, 6.72, 118.20 ppm; diagonal): 2 out of 2 assignments used, quality = 1.00: * QE TYR 102 + QE TYR 102 OK 100 100 - 100 QE TYR 76 + QE TYR 76 OK 94 94 - 100 Peak 4558 from aronoe.peaks (4.02, 6.79, 129.64 ppm; 3.11 A): 3 out of 12 assignments used, quality = 0.81: * HA PHE 120 + QD PHE 120 OK 73 100 - 73 - 3.7=59, 3.0/4700=18...(4) HA GLU 119 + QD PHE 120 OK 19 99 - 19 - 3.6/4700=15, 4.1/4702=3 HA LYS 123 + QD PHE 120 OK 14 100 - 14 - 4.6/11209=4, 4.6/4704=3...(6) HA GLU 66 - QD PHE 120 lone 4 99 - 4 - 3.0/11059=1 HA GLU 13 - QD PHE 120 lone 2 99 - 2 - HA GLU 92 - QD PHE 120 lone 2 92 - 2 - HA LYS 40 - QD PHE 120 lone 1 100 - 1 - HA GLU 87 - QD PHE 120 lone 0 84 - 1 - HA3 GLY 101 - QD PHE 120 lone 0 84 - 0 - HA3 GLY 75 - QD PHE 120 lone 0 92 - 0 - HB2 SER 126 - QD PHE 120 lone 0 100 - 0 - HB3 SER 126 - QD PHE 120 lone 0 95 - 0 - Peak 4559 from aronoe.peaks (3.22, 6.79, 129.64 ppm; 3.64 A): 1 out of 1 assignment used, quality = 1.00: * HB2 PHE 120 + QD PHE 120 OK 100 100 - 100 - 2.4=100 Peak 4560 from aronoe.peaks (2.34, 6.79, 129.64 ppm; 3.73 A): 1 out of 1 assignment used, quality = 1.00: * HB3 PHE 120 + QD PHE 120 OK 100 100 - 100 - 2.4=100 Peak 4561 from aronoe.peaks (6.79, 6.79, 129.64 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QD PHE 120 + QD PHE 120 OK 100 100 - 100 Peak 4562 from aronoe.peaks (7.14, 6.79, 129.64 ppm; 2.97 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 120 + QD PHE 120 OK 100 100 - 100 - 2.2=100 Peak 4563 from aronoe.peaks (7.02, 6.79, 129.64 ppm; 4.31 A): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 120 + QD PHE 120 OK 100 100 - 100 - 3.8=100 Peak 4564 from aronoe.peaks (6.79, 7.14, 131.36 ppm; 3.05 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 120 + QE PHE 120 OK 100 100 - 100 - 2.2=100 Peak 4565 from aronoe.peaks (7.14, 7.14, 131.36 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * QE PHE 120 + QE PHE 120 OK 100 100 - 100 Peak 4566 from aronoe.peaks (7.02, 7.14, 131.36 ppm; 2.92 A): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 120 + QE PHE 120 OK 100 100 - 100 - 2.2=100 Peak 4567 from aronoe.peaks (6.79, 7.02, 129.44 ppm; 4.23 A): 1 out of 1 assignment used, quality = 1.00: * QD PHE 120 + HZ PHE 120 OK 100 100 - 100 - 3.8=100 Peak 4568 from aronoe.peaks (7.14, 7.02, 129.44 ppm; 2.96 A): 1 out of 1 assignment used, quality = 1.00: * QE PHE 120 + HZ PHE 120 OK 100 100 - 100 - 2.2=100 Peak 4569 from aronoe.peaks (7.02, 7.02, 129.44 ppm; diagonal): 1 out of 1 assignment used, quality = 1.00: * HZ PHE 120 + HZ PHE 120 OK 100 100 - 100 Peak 4571 from aronoe.peaks (2.02, 6.79, 132.65 ppm; 3.56 A): 1 out of 5 assignments used, quality = 0.66: HB2 GLN 25 + QD TYR 27 OK 66 100 - 66 - 1.8/4578=27, ~4579=17...(7) HG2 GLU 128 - QD TYR 27 lone 4 99 - 4 - 9221/2.2=1, ~9221=1 HG3 GLU 128 - QD TYR 27 lone 4 99 - 4 - 9221/2.2=1, ~9221=1 HB2 MET 1 - QD TYR 27 lone 1 90 - 1 - HB3 GLU 111 - QD TYR 27 lone 1 99 - 1 - Peak 4572 from aronoe.peaks (3.74, 6.86, 132.04 ppm; 4.67 A): 1 out of 1 assignment used, quality = 0.86: HA ILE 71 + QD TYR 76 OK 86 97 - 88 - 3.2/9798=29, 9791=20...(19) Peak 4573 from aronoe.peaks (2.19, 6.71, 118.08 ppm; 4.10 A): 3 out of 22 assignments used, quality = 0.63: HB2 GLN 100 + QE TYR 102 OK 36 65 - 56 - 10889=16, 1.8/4620=14...(6) HB3 MET 1 + QE TYR 76 OK 30 99 - 30 - 3.0/10715=16, ~10720=14 HG3 GLN 28 + QE TYR 102 OK 17 87 - 19 - ~4686=9, 3.0/4620=4...(4) HB2 MET 42 - QE TYR 76 poor 10 100 - 10 - 4.2/9409=6, 9418/9445=2 HB2 MET 67 - QE TYR 76 lone 5 94 - 6 - 9780/9801=2, 1.8/4620=2 HB2 MET 67 - QE TYR 102 lone 5 85 - 6 - 1.8/4620=2, ~4687=1 HB2 MET 42 - QE TYR 102 lone 4 94 - 5 - 4.2/9409=3 HB3 MET 1 - QE TYR 102 lone 2 93 - 3 - 3.0/10715=2 HG3 GLU 66 - QE TYR 102 lone 2 89 - 3 - HB2 GLN 100 - QE TYR 76 lone 2 73 - 3 - HG3 GLU 66 - QE TYR 76 lone 2 97 - 2 - HB2 GLU 98 - QE TYR 102 lone 2 68 - 2 - HB2 GLN 83 - QE TYR 102 lone 2 57 - 3 - ~4690=2 HB2 GLU 69 - QE TYR 102 lone 1 89 - 2 - HG3 GLN 28 - QE TYR 76 lone 1 96 - 1 - HB2 GLU 69 - QE TYR 76 lone 1 97 - 1 - HG2 GLU 48 - QE TYR 76 lone 1 96 - 1 - HG2 GLU 48 - QE TYR 102 lone 1 87 - 1 - HB2 GLN 83 - QE TYR 76 lone 1 65 - 1 - HB2 GLU 98 - QE TYR 76 lone 1 77 - 1 - HB3 GLU 37 - QE TYR 76 lone 1 61 - 1 - HB3 GLU 37 - QE TYR 102 lone 1 54 - 1 - Peak 4576 from aronoe.peaks (7.86, 6.79, 132.65 ppm; 3.79 A): 0 out of 5 assignments used, low quality = 0.44: H TYR 27 - QD TYR 27 OK 44 70 - 63 - 4.4=62, 3.6/4577=3 H SER 126 - QD TYR 27 lone 1 100 - 1 - H ASP 60 - QD TYR 27 lone 1 99 - 1 - H LEU 127 - QD TYR 27 lone 1 57 - 1 - HE21 GLN 62 - QD TYR 27 lone 0 77 - 0 - Peak 4577 from aronoe.peaks (4.13, 6.79, 132.65 ppm; 4.48 A): 2 out of 10 assignments used, quality = 0.92: HA VAL 22 + QD TYR 27 OK 89 99 - 89 - 10862/2.5=23, 11116=16...(22) HA3 GLY 26 + QD TYR 27 OK 32 100 - 32 - 3.6/4576=31 HA ALA 124 - QD TYR 27 OK 19 73 - 26 - ~10626=17, ~4592=5, 9005/9020=4 HB3 SER 72 - QD TYR 27 OK 18 98 - 18 - 11450/4571=5, 11116=3...(6) HB2 SER 72 - QD TYR 27 OK 18 98 - 18 - 11450/4571=5, 11116=3...(6) HA GLU 89 - QD TYR 27 poor 8 61 - 14 - 3.0/11059=5, 3.0/11059=5 HA LEU 63 - QD TYR 27 lone 3 98 - 3 - HA GLN 122 - QD TYR 27 lone 3 97 - 3 - 10586/10581=2 HA MET 1 - QD TYR 27 lone 2 92 - 2 - HA LEU 45 - QD TYR 27 lone 1 57 - 2 - Peak 4578 from aronoe.peaks (2.82, 6.79, 132.65 ppm; 4.08 A): 1 out of 5 assignments used, quality = 0.74: HB3 GLN 25 + QD TYR 27 OK 74 94 - 79 - 1.8/4571=39, 4579/2.2=32...(7) HB2 ASP 109 - QD TYR 27 lone 3 96 - 3 - 4579/2.2=1 HE2 LYS 77 - QD TYR 27 lone 1 100 - 1 - HB3 ASN 10 - QD TYR 27 lone 1 97 - 1 - HB2 ASP 36 - QD TYR 27 lone 0 65 - 1 - Peak 4579 from aronoe.peaks (2.82, 6.58, 117.79 ppm; 4.12 A): 1 out of 4 assignments used, quality = 0.77: HB3 GLN 25 + QE TYR 27 OK 77 99 - 78 - 4578/2.2=33, ~4571=24...(8) HB2 ASP 109 - QE TYR 27 lone 3 99 - 3 - 4578/2.2=1 HE2 LYS 77 - QE TYR 27 lone 1 99 - 1 - HB3 ASN 10 - QE TYR 27 lone 1 100 - 1 - Peak 4580 from aronoe.peaks (2.64, 6.58, 117.79 ppm; 4.27 A): 2 out of 5 assignments used, quality = 0.71: HE2 LYS 53 + QE TYR 27 OK 52 84 - 62 - 3.0/4592=21, 3.0/4593=18...(5) HG3 MET 121 + QE TYR 27 OK 39 73 - 54 - 1.8/4590=18...(8) HB2 ASP 12 - QE TYR 27 lone 1 100 - 1 - HB3 ASP 12 - QE TYR 27 lone 1 100 - 1 - HG2 MET 42 - QE TYR 27 lone 1 77 - 1 - Peak 4581 from aronoe.peaks (2.38, 6.58, 117.79 ppm; 4.01 A): 2 out of 6 assignments used, quality = 0.92: HB3 TYR 27 + QE TYR 27 OK 73 97 - 75 - 4.4=74, 9217/10851=2 HG2 GLN 25 + QE TYR 27 OK 69 99 - 70 - 3.0/4579=27, ~4571=16...(8) HG2 GLU 98 - QE TYR 27 lone 3 100 - 3 - 3.0/4589=2 HG2 GLU 66 - QE TYR 27 lone 3 87 - 3 - 3.0/4589=2, ~11059=1 HG3 MET 67 - QE TYR 27 lone 2 73 - 2 - 3.0/4589=1 HG2 GLU 13 - QE TYR 27 lone 1 65 - 1 - Peak 4582 from aronoe.peaks (1.81, 6.79, 132.65 ppm; 3.98 A): 4 out of 10 assignments used, quality = 0.94: HG12 ILE 5 + QD TYR 27 OK 70 98 - 71 - 9052/2.2=19, ~9229=13...(16) HB ILE 3 + QD TYR 27 OK 59 97 - 61 - ~9017=20, 2.1/9020=18...(10) QE MET 121 + QD TYR 27 OK 39 70 - 56 - 10582/2.2=15, ~10575=10...(11) HB ILE 18 + QD TYR 27 OK 25 96 - 27 - ~9229=5, 2.1/4587=5...(10) HB ILE 57 - QD TYR 27 OK 21 92 - 23 - ~9564=5, 4591/2.2=3...(12) HB ILE 97 - QD TYR 27 lone 6 99 - 6 - 2.9/4585=1, ~10116=1 HB2 LEU 14 - QD TYR 27 lone 5 92 - 6 - HG2 ARG 105 - QD TYR 27 lone 4 96 - 4 - HB3 ARG 105 - QD TYR 27 lone 4 100 - 4 - HB2 ARG 118 - QD TYR 27 lone 2 81 - 2 - Peak 4583 from aronoe.peaks (1.32, 6.79, 132.65 ppm; 4.00 A): 1 out of 3 assignments used, quality = 0.64: HB3 LEU 55 + QD TYR 27 OK 64 99 - 64 - 9517=19, 3.1/9523=14...(10) HG3 LYS 65 - QD TYR 27 lone 2 61 - 3 - HG3 LYS 94 - QD TYR 27 lone 1 99 - 1 - Peak 4584 from aronoe.peaks (1.10, 6.79, 132.65 ppm; 4.16 A): 1 out of 3 assignments used, quality = 0.58: HG2 LYS 53 + QD TYR 27 OK 58 70 - 83 - 2.8/4718=27, 1.8/4585=25...(12) HG2 LYS 19 - QD TYR 27 lone 6 98 - 6 - 9234/4.5=2 HD3 LYS 61 - QD TYR 27 lone 2 96 - 2 - Peak 4585 from aronoe.peaks (0.93, 6.79, 132.65 ppm; 4.29 A): 3 out of 5 assignments used, quality = 0.90: HG3 LYS 53 + QD TYR 27 OK 86 96 - 90 - 1.8/4584=35, 2.8/4718=28...(13) HG13 ILE 54 + QD TYR 27 OK 23 73 - 31 - 4.6/9480=9, 2.1/4588=6...(7) QG1 VAL 104 + QD TYR 27 OK 10 100 - 10 - 10232/2.5=3, 9226/2.2=2...(4) HG13 ILE 97 - QD TYR 27 lone 5 100 - 5 - QD2 LEU 127 - QD TYR 27 lone 3 99 - 3 - Peak 4586 from aronoe.peaks (0.85, 6.79, 132.65 ppm; 3.96 A): 3 out of 11 assignments used, quality = 0.99: QG2 VAL 22 + QD TYR 27 OK 87 100 - 87 - 10860/2.5=27...(19) HG13 ILE 5 + QD TYR 27 OK 78 98 - 79 - ~9052=16, ~9229=13...(23) QG2 ILE 5 + QD TYR 27 OK 67 90 - 74 - 9049=14, ~9052=12...(21) QG2 VAL 117 - QD TYR 27 OK 30 84 - 35 - ~4589=10, 2.1/10531=9...(8) HG13 ILE 57 - QD TYR 27 OK 26 97 - 27 - ~9564=4, 2.9/4582=3...(14) QG2 ILE 15 - QD TYR 27 OK 25 99 - 25 - 9049=4, 9180/2.5=3...(11) QG2 ILE 57 - QD TYR 27 OK 22 87 - 25 - 9564/2.5=5, 2.1/4582=3...(10) QD1 LEU 14 - QD TYR 27 lone 7 97 - 7 - 11652/4588=1 QG2 THR 9 - QD TYR 27 lone 5 90 - 5 - QG1 VAL 32 - QD TYR 27 lone 2 77 - 3 - 9235/4.5=1 QG2 VAL 107 - QD TYR 27 lone 1 73 - 2 - Peak 4587 from aronoe.peaks (0.73, 6.79, 132.65 ppm; 3.94 A): 5 out of 12 assignments used, quality = 0.87: QD2 LEU 55 + QD TYR 27 OK 60 92 - 66 - 3.1/4583=27, 2.1/9523=15...(12) QG1 VAL 117 + QD TYR 27 OK 35 99 - 35 - ~4589=10, 10531=9...(6) HG13 ILE 18 + QD TYR 27 OK 25 100 - 25 - ~9229=7, ~9056=4...(10) QG2 ILE 18 + QD TYR 27 OK 23 96 - 24 - ~9229=5, 2.1/4582=4...(10) QD1 ILE 57 + QD TYR 27 OK 13 61 - 21 - ~9564=4, 2.1/4586=3...(11) QG2 ILE 7 - QD TYR 27 lone 6 65 - 9 - 3.3/9083=4, ~4593=1 QG2 VAL 78 - QD TYR 27 lone 3 100 - 3 - QD2 LEU 6 - QD TYR 27 lone 3 94 - 3 - QD1 LEU 6 - QD TYR 27 lone 2 90 - 2 - QD2 LEU 45 - QD TYR 27 lone 2 100 - 2 - QD1 LEU 63 - QD TYR 27 lone 2 77 - 2 - QD2 LEU 63 - QD TYR 27 lone 1 70 - 1 - Peak 4588 from aronoe.peaks (0.64, 6.79, 132.65 ppm; 3.79 A): 3 out of 6 assignments used, quality = 0.95: QG1 VAL 22 + QD TYR 27 OK 82 100 - 82 - 10858/2.5=17, ~10860=15...(19) QD1 ILE 5 + QD TYR 27 OK 62 90 - 70 - 9056/2.2=16, ~9052=13...(19) QD1 ILE 54 + QD TYR 27 OK 33 100 - 33 - 4598/2.2=7, 4.8/9480=7...(9) HG13 ILE 15 - QD TYR 27 OK 22 100 - 21 - 4598/2.2=3, 3.2/9049=3...(10) QD1 LEU 4 - QD TYR 27 OK 14 97 - 15 - 10732/2.5=3, 4598/2.2=2...(7) QD1 ILE 71 - QD TYR 27 lone 1 61 - 2 - Peak 4589 from aronoe.peaks (2.05, 6.58, 117.79 ppm; 3.90 A): 0 out of 17 assignments used, low quality = 0.26: HB VAL 117 - QE TYR 27 OK 26 100 - 26 - ~10531=6, ~10530=5...(9) HB2 GLU 89 - QE TYR 27 lone 8 94 - 8 - 11059/2.2=4, ~11059=3 HB3 GLU 89 - QE TYR 27 lone 8 94 - 8 - 11059/2.2=4, ~11059=3 HB3 GLU 98 - QE TYR 27 lone 3 99 - 3 - HB2 GLU 66 - QE TYR 27 lone 3 94 - 3 - 11059/2.2=1 HB3 MET 67 - QE TYR 27 lone 2 100 - 2 - HB3 GLN 85 - QE TYR 27 lone 2 94 - 2 - HB3 GLN 100 - QE TYR 27 lone 1 100 - 1 - HB2 GLN 28 - QE TYR 27 lone 1 84 - 1 - HB3 GLU 87 - QE TYR 27 lone 1 94 - 1 - HG3 GLU 52 - QE TYR 27 lone 1 99 - 1 - HB2 GLU 13 - QE TYR 27 lone 1 77 - 1 - HB2 MET 1 - QE TYR 27 lone 1 61 - 1 - HB2 GLU 92 - QE TYR 27 lone 1 99 - 1 - HB2 GLU 47 - QE TYR 27 lone 1 97 - 1 - HB3 GLU 48 - QE TYR 27 lone 0 94 - 1 - HB2 GLU 48 - QE TYR 27 lone 0 94 - 1 - Peak 4590 from aronoe.peaks (1.93, 6.58, 117.79 ppm; 4.23 A): 2 out of 19 assignments used, quality = 0.49: HG2 MET 121 + QE TYR 27 OK 42 80 - 52 - 1.8/4580=16...(7) HB ILE 15 + QE TYR 27 OK 13 73 - 17 - 2.1/4596=3, 2.9/4598=3...(7) HB2 LYS 123 - QE TYR 27 lone 4 100 - 4 - 11057/2.2=2 HB3 LYS 65 - QE TYR 27 lone 4 100 - 4 - HB2 LYS 65 - QE TYR 27 lone 4 100 - 4 - HB2 LEU 81 - QE TYR 27 lone 3 87 - 4 - ~11295=1 HB3 LYS 17 - QE TYR 27 lone 3 94 - 3 - ~10838=1 HB VAL 104 - QE TYR 27 lone 3 77 - 4 - ~4585=2, 2.1/9226=2 HB2 LEU 127 - QE TYR 27 lone 3 100 - 3 - 10654/4595=2 HB2 LYS 115 - QE TYR 27 lone 2 100 - 2 - HB3 LYS 123 - QE TYR 27 lone 2 69 - 3 - ~11057=1, 10654/4595=1 HB3 LYS 115 - QE TYR 27 lone 2 100 - 2 - HB2 LYS 39 - QE TYR 27 lone 2 100 - 2 - HB3 LYS 40 - QE TYR 27 lone 1 80 - 2 - HB3 LYS 39 - QE TYR 27 lone 1 69 - 2 - HB2 LEU 70 - QE TYR 27 lone 1 89 - 1 - HB3 MET 42 - QE TYR 27 lone 1 61 - 1 - HB3 GLU 41 - QE TYR 27 lone 1 65 - 1 - HB2 GLU 41 - QE TYR 27 lone 1 61 - 1 - Peak 4591 from aronoe.peaks (1.82, 6.58, 117.79 ppm; 3.88 A): 5 out of 11 assignments used, quality = 0.93: HG12 ILE 5 + QE TYR 27 OK 60 92 - 66 - 2.1/9229=19, 9052=16...(12) HB ILE 3 + QE TYR 27 OK 52 89 - 59 - 2.1/9017=31, 3.2/4595=19...(7) QE MET 121 + QE TYR 27 OK 44 84 - 52 - 10582=13, 10581/2.2=12...(9) HB ILE 18 + QE TYR 27 OK 21 99 - 21 - 3.2/9229=8, 4582/2.2=4...(7) HB ILE 57 + QE TYR 27 OK 16 98 - 16 - 2.1/4596=3, 4582/2.2=3...(8) HB2 LEU 14 - QE TYR 27 lone 6 98 - 6 - 1.8/4592=1 HB ILE 97 - QE TYR 27 lone 4 94 - 4 - HB3 ARG 105 - QE TYR 27 lone 3 100 - 3 - HB3 LYS 19 - QE TYR 27 lone 3 69 - 4 - ~4584=1, 10865/10851=1 HG2 ARG 105 - QE TYR 27 lone 2 87 - 3 - HB2 ARG 118 - QE TYR 27 lone 1 65 - 1 - Peak 4592 from aronoe.peaks (1.49, 6.58, 117.79 ppm; 4.28 A): 2 out of 10 assignments used, quality = 0.79: HD2 LYS 53 + QE TYR 27 OK 72 92 - 79 - 1.8/4593=22, 3.7/4719=22...(8) QB ALA 124 + QE TYR 27 OK 23 80 - 29 - 10626=11, 10617/9017=8...(5) HB3 LEU 14 - QE TYR 27 lone 5 95 - 5 - 1.8/4591=1 HB2 LEU 6 - QE TYR 27 lone 2 65 - 4 - 11566/9056=1 HG2 ARG 30 - QE TYR 27 lone 2 97 - 2 - HB3 LEU 45 - QE TYR 27 lone 2 99 - 2 - HG3 ARG 118 - QE TYR 27 lone 1 97 - 1 - HG3 LYS 20 - QE TYR 27 lone 1 80 - 1 - HG3 LYS 73 - QE TYR 27 lone 1 87 - 1 - HG2 LYS 20 - QE TYR 27 lone 1 73 - 1 - Peak 4593 from aronoe.peaks (1.26, 6.58, 117.79 ppm; 4.55 A): 2 out of 6 assignments used, quality = 0.88: HD3 LYS 53 + QE TYR 27 OK 84 98 - 86 - 1.8/4592=28, 3.7/4719=25...(9) HG12 ILE 54 + QE TYR 27 OK 28 84 - 33 - 4.6/9481=13, 2.1/4598=8...(6) HG13 ILE 7 - QE TYR 27 poor 10 94 - 10 - ~9083=5, 1.8/9223=2 HD2 LYS 2 - QE TYR 27 lone 8 100 - 8 - 1.8/4595=3, 9479=2 HG3 LYS 61 - QE TYR 27 lone 2 99 - 2 - QG2 THR 108 - QE TYR 27 lone 1 80 - 2 - Peak 4594 from aronoe.peaks (1.08, 6.58, 117.79 ppm; 3.77 A): 2 out of 5 assignments used, quality = 0.90: HG2 LYS 53 + QE TYR 27 OK 71 100 - 72 - 2.8/4719=19, 3.0/4592=16...(9) QG2 ILE 3 + QE TYR 27 OK 64 97 - 66 - 9017=34, 3.0/4595=19...(9) HG2 LYS 2 - QE TYR 27 lone 4 73 - 5 - 2.9/4595=2, 2.9/4593=1 HG2 LYS 19 - QE TYR 27 lone 2 80 - 2 - HD3 LYS 61 - QE TYR 27 lone 1 87 - 1 - Peak 4595 from aronoe.peaks (0.96, 6.58, 117.79 ppm; 4.42 A): 1 out of 5 assignments used, quality = 0.49: QD1 ILE 3 + QE TYR 27 OK 49 89 - 55 - 3.0/9017=33, ~9020=15...(5) HD3 LYS 2 - QE TYR 27 lone 4 100 - 4 - 1.8/4593=2 QD1 LEU 38 - QE TYR 27 lone 2 99 - 2 - HG13 ILE 116 - QE TYR 27 lone 2 87 - 3 - ~10467=2 HG13 ILE 56 - QE TYR 27 lone 1 100 - 1 - Peak 4596 from aronoe.peaks (0.84, 6.58, 117.79 ppm; 3.94 A): 5 out of 8 assignments used, quality = 0.94: QG2 ILE 5 + QE TYR 27 OK 60 100 - 60 - 3.0/9229=17, 3.2/9052=17...(12) HG13 ILE 5 + QE TYR 27 OK 59 98 - 61 - 2.1/9229=20, 1.8/9052=19...(12) QG2 VAL 22 + QE TYR 27 OK 44 80 - 55 - 2.1/4598=13...(10) QG2 ILE 57 + QE TYR 27 OK 20 100 - 21 - 9564/4.4=5, 2.1/4591=3...(10) QG2 ILE 15 + QE TYR 27 OK 19 97 - 20 - 2.1/4590=4, 9049/2.2=4...(7) HG13 ILE 57 - QE TYR 27 poor 10 61 - 16 - 2.1/9228=2, 2.9/4591=2...(6) QD1 LEU 14 - QE TYR 27 lone 4 61 - 6 - 11652/9056=1, 3.1/4592=1 QD2 LEU 82 - QE TYR 27 lone 1 77 - 1 - Peak 4598 from aronoe.peaks (0.64, 6.58, 117.79 ppm; 3.61 A): 5 out of 6 assignments used, quality = 0.89: QG1 VAL 22 + QE TYR 27 OK 53 100 - 54 - 4588/2.2=12...(11) QD1 ILE 5 + QE TYR 27 OK 53 89 - 60 - 9056=17, 2.1/9052=14...(13) QD1 ILE 54 + QE TYR 27 OK 30 100 - 30 - 4.8/9481=7, 9056=6...(10) HG13 ILE 15 + QE TYR 27 OK 15 100 - 15 - 4588/2.2=3, 2.9/4590=3...(6) QD1 LEU 4 + QE TYR 27 OK 11 97 - 12 - 4588/2.2=2, 9009/9017=2...(6) QD1 ILE 71 - QE TYR 27 lone 1 61 - 2 - Peak 4599 from aronoe.peaks (2.03, 7.13, 131.73 ppm; 4.29 A): 1 out of 16 assignments used, quality = 0.52: HB2 MET 1 + QD PHE 51 OK 52 100 - 52 - 10719=23, 3.0/10717=17...(4) HB2 GLU 89 - QD PHE 51 lone 4 94 - 4 - 3.0/10207=2, 3.0/10209=1 HB3 GLU 89 - QD PHE 51 lone 4 94 - 4 - 3.0/10207=2, 3.0/10209=1 HB3 MET 67 - QD PHE 51 lone 1 65 - 2 - HB2 GLU 48 - QD PHE 51 lone 1 94 - 1 - HB3 GLU 48 - QD PHE 51 lone 1 94 - 1 - HB3 GLU 111 - QD PHE 51 lone 1 95 - 1 - HB2 GLU 66 - QD PHE 51 lone 1 94 - 1 - HB VAL 117 - QD PHE 51 lone 1 73 - 1 - HB3 GLU 87 - QD PHE 51 lone 1 94 - 1 - HG3 GLU 128 - QD PHE 51 lone 1 69 - 1 - HG2 GLU 128 - QD PHE 51 lone 1 69 - 1 - HB3 GLN 85 - QD PHE 51 lone 1 94 - 1 - HB2 GLN 25 - QD PHE 51 lone 1 92 - 1 - HG3 GLU 52 - QD PHE 51 lone 1 84 - 1 - HB3 GLN 100 - QD PHE 51 lone 0 69 - 1 - Peak 4603 from aronoe.peaks (0.75, 7.13, 131.73 ppm; 4.12 A): 0 out of 11 assignments used, low quality = 0.00: QG2 ILE 54 - QD PHE 51 poor 10 99 - 10 - 3.1/11357=3, 9494/4.6=2...(4) QG2 ILE 7 - QD PHE 51 lone 7 97 - 7 - 3.3/9084=5 QD1 ILE 7 - QD PHE 51 lone 5 73 - 6 - 9084=5 QD1 LEU 45 - QD PHE 51 lone 4 100 - 4 - 2.1/9448=3 QD2 LEU 6 - QD PHE 51 lone 3 73 - 4 - 2.1/9069=3 QD2 LEU 14 - QD PHE 51 lone 2 87 - 3 - QG1 VAL 107 - QD PHE 51 lone 2 87 - 2 - QD1 ILE 15 - QD PHE 51 lone 1 84 - 2 - QD2 LEU 55 - QD PHE 51 lone 1 77 - 2 - QG2 VAL 32 - QD PHE 51 lone 1 87 - 1 - QD1 LEU 63 - QD PHE 51 lone 1 92 - 1 - Peak 4605 from aronoe.peaks (7.37, 6.86, 132.04 ppm; 3.84 A): 1 out of 2 assignments used, quality = 0.87: H TYR 76 + QD TYR 76 OK 87 98 - 88 - 4.4=66, 3.0/4520=32...(8) HD21 ASN 8 - QD TYR 76 lone 9 99 - 9 - 10752/4572=5, 9797/9798=3 Peak 4606 from aronoe.peaks (4.12, 6.72, 118.20 ppm; 4.50 A): 1 out of 16 assignments used, quality = 0.46: HA MET 1 + QE TYR 76 OK 46 91 - 51 - 10720/2.2=29, 10715=23...(4) HA GLN 122 - QE TYR 102 lone 7 87 - 7 - 3.0/4619=3, 3.0/4619=3, ~4686=2 HA LEU 63 - QE TYR 102 lone 6 89 - 7 - ~4690=1, 4.0/4735=1 HA MET 1 - QE TYR 102 lone 4 99 - 4 - 10715=2 HA LEU 63 - QE TYR 76 lone 3 80 - 4 - HA VAL 22 - QE TYR 76 lone 2 85 - 2 - HA VAL 22 - QE TYR 102 lone 2 94 - 2 - HA GLN 122 - QE TYR 76 lone 1 77 - 2 - HB2 SER 72 - QE TYR 102 lone 1 100 - 1 - HB3 SER 72 - QE TYR 102 lone 1 100 - 1 - HB3 SER 72 - QE TYR 76 lone 1 94 - 1 - HB2 SER 72 - QE TYR 76 lone 1 94 - 1 - HA3 GLY 26 - QE TYR 102 lone 1 100 - 1 - HA3 GLY 26 - QE TYR 76 lone 1 93 - 1 - HA GLN 62 - QE TYR 102 lone 1 65 - 1 - HA GLN 62 - QE TYR 76 lone 0 57 - 1 - Peak 4607 from aronoe.peaks (2.75, 6.72, 118.20 ppm; 4.36 A): 1 out of 10 assignments used, quality = 0.97: HB3 TYR 102 + QE TYR 102 OK 97 100 - 97 - 4.4=95, ~4551=21...(7) HE2 LYS 2 - QE TYR 76 OK 31 91 - 35 - 3.9/4627=13, 3.0/4626=9...(6) HG3 MET 42 - QE TYR 76 poor 9 87 - 11 - 3.3/9409=7, 3.0/4573=2 HE2 LYS 2 - QE TYR 102 lone 8 99 - 8 - 3.9/4627=3, 3.0/4626=2 HB3 TYR 102 - QE TYR 76 lone 8 94 - 9 - ~4697=3, 1.8/4608=1, 9857/9871=1 HG3 MET 42 - QE TYR 102 lone 6 95 - 6 - 3.3/9409=3, 3.0/4573=1 HB3 ASN 11 - QE TYR 76 lone 4 85 - 5 - 9146/9443=1, 9438/9450=1 HB3 ASN 11 - QE TYR 102 lone 2 94 - 2 - HB2 ASP 60 - QE TYR 102 lone 1 65 - 2 - HB2 ASP 60 - QE TYR 76 lone 1 57 - 2 - Peak 4608 from aronoe.peaks (2.46, 6.72, 118.20 ppm; 4.39 A): 2 out of 14 assignments used, quality = 0.86: HB2 TYR 102 + QE TYR 102 OK 75 77 - 98 - 4.4=97, 1.8/4607=23...(6) HG2 GLN 100 + QE TYR 102 OK 44 73 - 60 - 3.0/10889=21...(7) HB2 TYR 102 - QE TYR 76 lone 5 68 - 8 - ~4697=3, 1.8/4607=2 HG3 GLU 41 - QE TYR 76 lone 3 94 - 3 - 9401/9445=1 HG3 GLU 41 - QE TYR 102 lone 3 100 - 3 - HG2 GLN 100 - QE TYR 76 lone 2 64 - 3 - 3.0/10889=1 HG3 GLU 119 - QE TYR 102 lone 2 100 - 2 - HB2 ASP 31 - QE TYR 102 lone 1 92 - 1 - HG2 GLU 37 - QE TYR 102 lone 1 77 - 1 - HB3 ASP 31 - QE TYR 102 lone 1 89 - 1 - HB2 ASP 31 - QE TYR 76 lone 1 83 - 1 - HB3 ASP 31 - QE TYR 76 lone 1 80 - 1 - HG3 GLU 119 - QE TYR 76 lone 1 94 - 1 - HG2 GLU 37 - QE TYR 76 lone 1 68 - 1 - Peak 4609 from aronoe.peaks (1.90, 6.86, 132.04 ppm; 4.24 A): 3 out of 22 assignments used, quality = 0.99: HB ILE 71 + QD TYR 76 OK 92 100 - 92 - 2.1/9798=30, 3.0/4572=27...(22) HB2 LEU 45 + QD TYR 76 OK 80 99 - 81 - 1.8/4611=29, 3.1/9446=21...(15) HG LEU 45 + QD TYR 76 OK 57 70 - 82 - 2.1/9446=24, 3.0/4611=23...(15) HB ILE 15 - QD TYR 76 OK 21 73 - 28 - 2.9/4610=7, 3.2/4618=6...(12) HB2 LYS 73 - QD TYR 76 OK 19 99 - 19 - 4.3/10774=11, 2.9/4611=3 HB3 LYS 73 - QD TYR 76 OK 19 99 - 19 - 4.3/10774=11, 2.9/4611=3 HB ILE 7 - QD TYR 76 OK 12 97 - 12 - 11291/9874=4, 3.2/4618=2 HB2 LYS 20 - QD TYR 76 lone 6 94 - 7 - 2.9/4611=1 HB3 LYS 20 - QD TYR 76 lone 6 94 - 7 - 2.9/4611=1 HB3 LYS 44 - QD TYR 76 lone 6 97 - 6 - HB2 LYS 44 - QD TYR 76 lone 5 87 - 6 - QE MET 67 - QD TYR 76 lone 5 61 - 8 - 10737/9039=2...(3) HB2 ARG 95 - QD TYR 76 lone 5 100 - 5 - 4027/9449=1, 4020/9446=1 HB3 LYS 16 - QD TYR 76 lone 4 65 - 6 - 4.0/10774=4 HB2 LYS 16 - QD TYR 76 lone 4 61 - 6 - 4.0/10774=4 HB2 LYS 96 - QD TYR 76 lone 3 100 - 3 - HB3 LYS 43 - QD TYR 76 lone 2 100 - 2 - HB2 LYS 43 - QD TYR 76 lone 2 96 - 2 - HB2 GLU 128 - QD TYR 76 lone 2 100 - 2 - HB2 LYS 49 - QD TYR 76 lone 2 100 - 2 - HB3 LYS 123 - QD TYR 76 lone 2 77 - 2 - HG2 MET 121 - QD TYR 76 lone 2 65 - 3 - Peak 4610 from aronoe.peaks (1.72, 6.86, 132.04 ppm; 4.52 A): 2 out of 13 assignments used, quality = 0.62: HG LEU 74 + QD TYR 76 OK 50 77 - 65 - 2.1/9817=19, ~9818=15...(11) HG12 ILE 15 + QD TYR 76 OK 25 96 - 26 - 2.1/4618=8, 1.8/10843=3...(12) HB2 LEU 114 - QD TYR 76 lone 5 70 - 8 - 3.1/10842=2, 3.1/4617=1, ~9836=1 HD3 LYS 44 - QD TYR 76 lone 3 73 - 5 - HB2 LYS 106 - QD TYR 76 lone 3 100 - 3 - HB3 LYS 106 - QD TYR 76 lone 3 99 - 3 - HD2 LYS 44 - QD TYR 76 lone 3 65 - 5 - HB3 LEU 82 - QD TYR 76 lone 3 65 - 4 - 3.1/4618=1 HD2 LYS 39 - QD TYR 76 lone 2 84 - 2 - HD3 LYS 39 - QD TYR 76 lone 2 81 - 2 - HG2 ARG 118 - QD TYR 76 lone 1 90 - 2 - HB3 LEU 90 - QD TYR 76 lone 1 99 - 1 - HB3 LYS 94 - QD TYR 76 lone 1 70 - 1 - Peak 4611 from aronoe.peaks (1.49, 6.86, 132.04 ppm; 3.79 A): 1 out of 10 assignments used, quality = 0.68: HB3 LEU 45 + QD TYR 76 OK 68 100 - 68 - 3.1/9446=16, 3.1/9449=15...(15) HG3 LYS 73 - QD TYR 76 lone 8 90 - 9 - 9773/4572=2, 2.9/4609=1...(4) QB ALA 124 - QD TYR 76 lone 8 77 - 10 - 10616/4613=4, 4623/2.2=2 HG2 ARG 30 - QD TYR 76 lone 5 96 - 5 - HG3 LYS 20 - QD TYR 76 lone 3 84 - 4 - HB3 LEU 14 - QD TYR 76 lone 3 94 - 3 - HG2 LYS 20 - QD TYR 76 lone 2 70 - 3 - HB2 LEU 6 - QD TYR 76 lone 2 61 - 3 - HD2 LYS 53 - QD TYR 76 lone 1 94 - 2 - HG3 ARG 118 - QD TYR 76 lone 1 98 - 1 - Peak 4612 from aronoe.peaks (1.45, 6.86, 132.04 ppm; 3.93 A): 3 out of 18 assignments used, quality = 1.00: HG LEU 4 + QD TYR 76 OK 89 99 - 90 - 2.1/9037=36, 2.1/9039=30...(22) HB3 LEU 4 + QD TYR 76 OK 82 94 - 87 - 3.1/9037=30, 3.1/9039=25...(25) HB2 LEU 4 + QD TYR 76 OK 82 94 - 87 - 3.1/9037=30, 3.1/9039=25...(25) HG12 ILE 56 - QD TYR 76 OK 17 61 - 27 - 1.8/4615=7, 2.1/4617=5...(12) HG12 ILE 7 - QD TYR 76 lone 8 84 - 9 - 2.1/4618=2, ~4626=2 HB3 LYS 61 - QD TYR 76 lone 7 81 - 9 - 3.0/4614=3, ~4627=2, ~4626=2 HG12 ILE 57 - QD TYR 76 lone 5 81 - 7 - ~9564=3, ~11279=1 HG3 ARG 30 - QD TYR 76 lone 5 98 - 5 - 1.8/4611=2 HG LEU 80 - QD TYR 76 lone 5 99 - 5 - HG3 LYS 44 - QD TYR 76 lone 4 96 - 4 - HB3 LEU 38 - QD TYR 76 lone 4 77 - 5 - 3.1/4615=1 HB3 LEU 6 - QD TYR 76 lone 4 87 - 4 - HG2 LYS 106 - QD TYR 76 lone 3 81 - 4 - HG2 LYS 39 - QD TYR 76 lone 3 90 - 3 - HG2 LYS 96 - QD TYR 76 lone 2 98 - 2 - HG3 LYS 49 - QD TYR 76 lone 2 87 - 2 - HG2 LYS 49 - QD TYR 76 lone 2 87 - 2 - HG3 LYS 17 - QD TYR 76 lone 2 70 - 2 - Peak 4613 from aronoe.peaks (1.23, 6.86, 132.04 ppm; 4.17 A): 0 out of 1 assignment used, low quality = 0.30: HG13 ILE 3 - QD TYR 76 OK 30 100 - 30 - 2.1/4615=9, 10192/2.2=6...(7) Peak 4614 from aronoe.peaks (1.04, 6.86, 132.04 ppm; 4.05 A): 2 out of 4 assignments used, quality = 0.69: HG13 ILE 71 + QD TYR 76 OK 56 65 - 85 - 3.2/9798=23, 3.9/4572=20...(21) HG3 LYS 2 + QD TYR 76 OK 31 99 - 31 - 4627/2.2=16, 2.9/4615=8...(5) HG2 LYS 61 - QD TYR 76 lone 9 90 - 10 - 4627/2.2=4, ~4626=2 HB2 PHE 79 - QD TYR 76 lone 6 100 - 6 - 4627/2.2=5 Peak 4615 from aronoe.peaks (0.95, 6.86, 132.04 ppm; 4.67 A): 3 out of 6 assignments used, quality = 0.70: HD3 LYS 2 + QD TYR 76 OK 36 92 - 40 - 2.9/4614=11, ~4627=11...(6) QD1 ILE 3 + QD TYR 76 OK 34 61 - 56 - 2.1/4613=42, ~10192=7...(6) HG13 ILE 56 + QD TYR 76 OK 29 96 - 30 - 4628/2.2=7, 2.1/4617=6...(13) QD1 LEU 38 - QD TYR 76 lone 7 87 - 8 - 10997/10720=2...(3) HG3 LYS 53 - QD TYR 76 lone 2 77 - 2 - QD2 LEU 127 - QD TYR 76 lone 2 61 - 3 - Peak 4616 from aronoe.peaks (0.82, 6.86, 132.04 ppm; 3.36 A): 3 out of 7 assignments used, quality = 0.95: QG2 ILE 71 + QD TYR 76 OK 80 100 - 80 - 9798=24, 9786/2.5=17...(20) QD2 LEU 74 + QD TYR 76 OK 52 100 - 52 - 2.1/4610=9, 2.1/9817=8...(15) QD1 LEU 74 + QD TYR 76 OK 51 100 - 51 - 9818/2.2=12, 2.1/4610=9...(14) QD1 LEU 64 - QD TYR 76 lone 8 98 - 9 - 11689/4.4=3, 2.1/4618=2...(4) QD1 LEU 114 - QD TYR 76 lone 6 77 - 7 - 9833/4.4=2, 9836/2.5=1 QD2 LEU 82 - QD TYR 76 lone 3 99 - 3 - QG1 VAL 29 - QD TYR 76 lone 0 57 - 1 - Peak 4617 from aronoe.peaks (0.66, 6.86, 132.04 ppm; 3.47 A): 3 out of 4 assignments used, quality = 0.90: QD1 ILE 71 + QD TYR 76 OK 72 99 - 73 - 3.3/9798=17, 2.1/4614=15...(20) QD1 LEU 4 + QD TYR 76 OK 56 73 - 77 - 9037=25, 2.1/9039=23...(19) QD1 ILE 56 + QD TYR 76 OK 20 100 - 20 - 2.1/4615=5, ~4628=3...(7) QD2 LEU 114 - QD TYR 76 lone 5 87 - 5 - Peak 4618 from aronoe.peaks (0.77, 6.86, 132.04 ppm; 3.73 A): 2 out of 10 assignments used, quality = 0.65: QD1 LEU 45 + QD TYR 76 OK 57 81 - 71 - 3.1/4611=18, 2.1/9449=15...(16) QD1 ILE 15 + QD TYR 76 OK 18 99 - 18 - 2.1/4610=6, 2.1/10843=2...(8) QD1 ILE 7 - QD TYR 76 lone 6 100 - 6 - ~4626=1 QD2 LEU 64 - QD TYR 76 lone 5 77 - 7 - 9833/4.4=2, 2.1/4616=2 QD1 LEU 82 - QD TYR 76 lone 3 92 - 3 - QD2 LEU 14 - QD TYR 76 lone 2 99 - 2 - QD2 LEU 80 - QD TYR 76 lone 2 96 - 2 - QD1 LEU 80 - QD TYR 76 lone 2 97 - 2 - QG1 VAL 107 - QD TYR 76 lone 2 99 - 2 - QG2 VAL 32 - QD TYR 76 lone 1 99 - 1 - Peak 4619 from aronoe.peaks (2.23, 6.72, 118.20 ppm; 3.87 A): 2 out of 10 assignments used, quality = 0.51: HB2 GLN 100 + QE TYR 102 OK 40 73 - 55 - 1.8/4620=15, 4686/2.2=15...(6) HG2 GLN 28 + QE TYR 102 OK 18 84 - 21 - 4686/2.2=11, 3.0/4620=5...(4) HB2 GLN 122 - QE TYR 102 lone 5 77 - 6 - 4686/2.2=2, 3.0/4606=2, ~4686=2 HB3 GLN 122 - QE TYR 102 lone 5 77 - 6 - 4686/2.2=2, 3.0/4606=2, ~4686=2 HB2 GLN 83 - QE TYR 102 lone 4 80 - 4 - 4686/2.2=2, ~4690=1 HB2 GLN 100 - QE TYR 76 lone 1 64 - 2 - HG2 GLN 28 - QE TYR 76 lone 1 74 - 1 - HB2 GLN 83 - QE TYR 76 lone 1 71 - 1 - HB2 GLN 122 - QE TYR 76 lone 1 68 - 1 - HB3 GLN 122 - QE TYR 76 lone 1 68 - 1 - Peak 4620 from aronoe.peaks (2.05, 6.72, 118.20 ppm; 3.85 A): 2 out of 36 assignments used, quality = 0.65: HB3 GLN 100 + QE TYR 102 OK 56 99 - 56 - 1.8/10889=20...(6) HB2 GLN 28 + QE TYR 102 OK 22 92 - 24 - 4687/2.2=7, 3.0/4619=7...(5) HB3 MET 67 - QE TYR 102 lone 7 100 - 7 - 4687/2.2=2, 1.8/4573=1 HB3 MET 67 - QE TYR 76 lone 6 93 - 6 - 9779/9801=2, 1.8/4573=1 HB2 GLU 89 - QE TYR 102 lone 6 87 - 6 - 10891/2.2=2, 1.8/10890=1...(4) HB3 GLU 89 - QE TYR 102 lone 6 87 - 6 - 10891/2.2=2, 1.8/10890=1...(4) HB VAL 117 - QE TYR 102 lone 3 99 - 3 - HB2 GLU 66 - QE TYR 102 lone 3 87 - 3 - HB3 GLU 98 - QE TYR 102 lone 2 100 - 2 - HB3 GLN 100 - QE TYR 76 lone 2 92 - 3 - HB2 GLU 92 - QE TYR 102 lone 2 100 - 2 - HB VAL 117 - QE TYR 76 lone 2 91 - 2 - HB3 GLU 91 - QE TYR 102 lone 1 69 - 2 - 4687/2.2=2 HB2 GLU 66 - QE TYR 76 lone 1 77 - 2 - HB2 LYS 94 - QE TYR 102 lone 1 65 - 2 - HB3 GLN 85 - QE TYR 102 lone 1 87 - 1 - HB2 GLU 89 - QE TYR 76 lone 1 77 - 2 - HB3 GLU 89 - QE TYR 76 lone 1 77 - 2 - HB3 GLU 87 - QE TYR 102 lone 1 87 - 1 - HB3 GLU 87 - QE TYR 76 lone 1 77 - 1 - HB2 GLU 13 - QE TYR 102 lone 1 87 - 1 - HB2 GLU 92 - QE TYR 76 lone 1 94 - 1 - HB2 GLN 28 - QE TYR 76 lone 1 83 - 1 - HB3 GLU 98 - QE TYR 76 lone 1 94 - 1 - HB2 GLU 47 - QE TYR 102 lone 1 99 - 1 - HB3 GLN 85 - QE TYR 76 lone 1 77 - 1 - HG3 GLU 52 - QE TYR 102 lone 1 95 - 1 - HB2 GLU 48 - QE TYR 102 lone 1 87 - 1 - HB3 GLU 48 - QE TYR 102 lone 1 87 - 1 - HB2 GLU 13 - QE TYR 76 lone 1 77 - 1 - HB3 GLU 48 - QE TYR 76 lone 1 77 - 1 - HB2 GLU 48 - QE TYR 76 lone 1 77 - 1 - HG3 GLU 52 - QE TYR 76 lone 1 87 - 1 - HB2 GLU 47 - QE TYR 76 lone 0 92 - 1 - HB2 LYS 94 - QE TYR 76 lone 0 57 - 1 - HB3 GLU 91 - QE TYR 76 lone 0 61 - 1 - Peak 4621 from aronoe.peaks (1.90, 6.72, 118.20 ppm; 3.92 A): 3 out of 42 assignments used, quality = 0.95: HB ILE 71 + QE TYR 76 OK 70 94 - 75 - ~9798=18, 2.1/9799=17...(14) HB2 LEU 45 + QE TYR 76 OK 61 85 - 72 - 1.8/4623=17, ~4611=16...(11) HG LEU 45 + QE TYR 76 OK 54 74 - 73 - ~9446=15, 2.1/9450=14...(11) HB ILE 71 - QE TYR 102 OK 16 100 - 16 - 2.1/9799=4, 11643/4633=3...(7) HB2 LEU 45 - QE TYR 102 lone 8 94 - 8 - 1.8/9443=2, 3.1/9445=2...(4) HB2 GLU 128 - QE TYR 102 lone 8 98 - 8 - ~10880=6 HB ILE 7 - QE TYR 76 lone 8 93 - 8 - 3.0/4626=2, 11291/9873=1...(4) HB ILE 7 - QE TYR 102 lone 8 100 - 8 - 3.0/4626=2, 11291/9873=1...(4) HG LEU 45 - QE TYR 102 lone 7 84 - 9 - 2.1/9445=2, 2.1/9450=2...(4) HB3 LYS 73 - QE TYR 76 lone 7 94 - 7 - 4609/2.2=2, ~4611=1, ~4609=1 HB2 LYS 73 - QE TYR 76 lone 7 94 - 7 - 4609/2.2=2, ~4611=1, ~4609=1 QE MET 67 - QE TYR 102 lone 6 77 - 7 - 4.3/4620=1, 9763/4633=1 QE MET 67 - QE TYR 76 lone 5 68 - 8 - HB2 LYS 20 - QE TYR 76 lone 4 91 - 5 - HB3 LYS 20 - QE TYR 76 lone 4 91 - 5 - HB3 LYS 123 - QE TYR 102 lone 4 61 - 6 - ~11056=2, 2.9/4622=1...(4) HB3 LYS 44 - QE TYR 76 lone 3 80 - 4 - HB2 ARG 95 - QE TYR 76 lone 3 94 - 3 - HB2 LYS 96 - QE TYR 102 lone 3 98 - 3 - HB2 LYS 44 - QE TYR 76 lone 3 64 - 4 - HB2 LYS 96 - QE TYR 76 lone 2 90 - 2 - HB3 LYS 20 - QE TYR 102 lone 2 99 - 2 - HB2 LYS 20 - QE TYR 102 lone 2 99 - 2 - HB3 LYS 73 - QE TYR 102 lone 2 100 - 2 - HB2 LYS 73 - QE TYR 102 lone 2 100 - 2 - HB3 LYS 43 - QE TYR 76 lone 2 90 - 2 - HB2 GLU 128 - QE TYR 76 lone 2 90 - 2 - HB3 LYS 16 - QE TYR 76 lone 2 71 - 2 - HB3 LYS 43 - QE TYR 102 lone 2 98 - 2 - HB2 LYS 49 - QE TYR 76 lone 2 92 - 2 - HB2 LYS 16 - QE TYR 76 lone 2 68 - 2 - HB3 LYS 44 - QE TYR 102 lone 2 89 - 2 - HB2 LYS 43 - QE TYR 76 lone 1 77 - 2 - HB2 ARG 95 - QE TYR 102 lone 1 100 - 1 - HB2 LYS 43 - QE TYR 102 lone 1 87 - 2 - HB2 LYS 44 - QE TYR 102 lone 1 73 - 2 - HB3 LYS 123 - QE TYR 76 lone 1 53 - 2 - HB3 LYS 16 - QE TYR 102 lone 1 80 - 1 - HB2 LYS 49 - QE TYR 102 lone 1 99 - 1 - HB2 LYS 16 - QE TYR 102 lone 1 77 - 1 - HG2 ARG 95 - QE TYR 76 lone 1 53 - 1 - HG2 ARG 95 - QE TYR 102 lone 0 61 - 1 - Peak 4622 from aronoe.peaks (1.71, 6.72, 118.20 ppm; 4.32 A): 6 out of 28 assignments used, quality = 0.88: HG12 ILE 71 + QE TYR 76 OK 55 74 - 74 - 3.2/9799=17, ~9798=17...(12) HG LEU 74 + QE TYR 76 OK 51 93 - 55 - 2.1/9818=21, ~9817=14...(7) HB ILE 56 + QE TYR 102 OK 16 65 - 24 - 2.9/4628=6, ~4690=5...(7) HB ILE 56 + QE TYR 76 OK 14 57 - 24 - 2.9/4628=6, ~4615=5...(9) HG12 ILE 71 + QE TYR 102 OK 13 84 - 15 - 3.2/9799=4, 2.1/9801=4...(5) HG3 LYS 123 + QE TYR 102 OK 12 95 - 12 - ~11211=3, ~11208=3...(5) HG3 LYS 123 - QE TYR 76 lone 4 87 - 5 - 10612/9799=3 HD3 LYS 44 - QE TYR 76 lone 4 92 - 4 - HG LEU 74 - QE TYR 102 lone 4 100 - 4 - 2.1/9818=2 HD2 LYS 44 - QE TYR 76 lone 4 90 - 4 - HG3 LYS 39 - QE TYR 76 lone 3 87 - 4 - 10935/10715=2 HB3 LYS 106 - QE TYR 102 lone 3 95 - 4 - HB3 LYS 106 - QE TYR 76 lone 3 87 - 4 - HB2 LYS 106 - QE TYR 102 lone 3 92 - 4 - HB2 LYS 106 - QE TYR 76 lone 3 83 - 4 - HD2 LYS 20 - QE TYR 76 lone 2 53 - 4 - HD2 LYS 39 - QE TYR 76 lone 2 94 - 2 - HD3 LYS 39 - QE TYR 76 lone 2 94 - 2 - HG3 LYS 39 - QE TYR 102 lone 2 95 - 2 - HD3 LYS 44 - QE TYR 102 lone 1 99 - 1 - HD2 LYS 44 - QE TYR 102 lone 1 98 - 1 - HD2 LYS 20 - QE TYR 102 lone 1 61 - 2 - HD3 LYS 39 - QE TYR 102 lone 1 100 - 1 - HD2 LYS 39 - QE TYR 102 lone 1 100 - 1 - HB3 LEU 90 - QE TYR 102 lone 1 73 - 1 - HD3 LYS 16 - QE TYR 102 lone 1 65 - 1 - HD3 LYS 16 - QE TYR 76 lone 1 57 - 1 - HB3 LEU 90 - QE TYR 76 lone 1 64 - 1 - Peak 4623 from aronoe.peaks (1.50, 6.72, 118.20 ppm; 3.68 A): 2 out of 26 assignments used, quality = 0.60: HB3 LEU 45 + QE TYR 76 OK 51 80 - 63 - 4611/2.2=19, 3.1/9450=11...(10) QB ALA 124 + QE TYR 102 OK 18 97 - 19 - 10627=5, 10628/2.2=4...(6) QB ALA 124 - QE TYR 76 lone 8 89 - 9 - 10627=2, 4611/2.2=2...(4) HB3 LEU 45 - QE TYR 102 lone 6 89 - 7 - 9443=2, 3.1/9445=2...(4) HB2 LYS 61 - QE TYR 76 lone 5 49 - 9 - 3.0/4627=3, 3.0/4626=2...(4) HB2 LEU 6 - QE TYR 102 lone 4 89 - 5 - 11640/4633=1, 3.1/4735=1 HG2 ARG 30 - QE TYR 76 lone 4 94 - 4 - 4611/2.2=1 HB2 LYS 61 - QE TYR 102 lone 3 57 - 6 - 3.0/4627=2, 3.0/4626=1 HG2 LYS 20 - QE TYR 76 lone 3 85 - 3 - HB2 LEU 6 - QE TYR 76 lone 3 80 - 3 - HG3 LYS 73 - QE TYR 76 lone 3 53 - 5 - 4611/2.2=2 HB3 LEU 14 - QE TYR 76 lone 2 94 - 2 - HB3 LEU 14 - QE TYR 102 lone 2 100 - 2 - HB3 ARG 30 - QE TYR 76 lone 2 61 - 3 - HG2 ARG 30 - QE TYR 102 lone 1 100 - 1 - HG2 LYS 20 - QE TYR 102 lone 1 94 - 1 - HB3 ARG 30 - QE TYR 102 lone 1 69 - 2 - HD2 LYS 53 - QE TYR 76 lone 1 61 - 1 - HD3 LYS 17 - QE TYR 102 lone 1 57 - 1 - HG2 LYS 43 - QE TYR 102 lone 1 73 - 1 - HG3 ARG 118 - QE TYR 76 lone 1 71 - 1 - HD3 LYS 17 - QE TYR 76 lone 1 49 - 1 - HG2 LYS 43 - QE TYR 76 lone 1 64 - 1 - HG3 LYS 73 - QE TYR 102 lone 1 61 - 1 - HD2 LYS 53 - QE TYR 102 lone 1 69 - 1 - HG3 ARG 118 - QE TYR 102 lone 0 80 - 1 - Peak 4624 from aronoe.peaks (1.43, 6.72, 118.20 ppm; 3.99 A): 5 out of 22 assignments used, quality = 0.92: HB3 LEU 4 + QE TYR 76 OK 58 80 - 72 - ~9037=17, ~9039=15...(14) HB2 LEU 4 + QE TYR 76 OK 58 80 - 72 - ~9037=17, ~9039=15...(14) HB3 LEU 4 + QE TYR 102 OK 25 89 - 28 - 4690/2.2=6, 3.1/9040=5...(9) HB2 LEU 4 + QE TYR 102 OK 25 89 - 28 - 4690/2.2=6, 3.1/9040=5...(9) HG12 ILE 56 + QE TYR 76 OK 24 94 - 26 - 1.8/4628=7, ~4615=5...(10) HG12 ILE 56 - QE TYR 102 OK 24 100 - 24 - 4690/2.2=7, 1.8/4628=6...(7) HG LEU 80 - QE TYR 102 OK 18 77 - 23 - ~9935=14, ~4692=7 HB3 LYS 61 - QE TYR 76 OK 10 90 - 11 - 3.0/4627=4, 3.0/4626=3...(4) HB3 LEU 63 - QE TYR 102 lone 7 100 - 7 - 4690/2.2=2, 3.0/4606=2 HB3 LYS 61 - QE TYR 102 lone 7 98 - 7 - 3.0/4627=2, 3.0/4626=2...(4) HB3 GLN 83 - QE TYR 102 lone 6 98 - 6 - 1.8/4619=2, 4690/2.2=2, ~4686=1 HB3 LEU 63 - QE TYR 76 lone 4 94 - 5 - 3.0/4606=1 HG3 LYS 44 - QE TYR 76 lone 3 77 - 4 - HB3 GLN 83 - QE TYR 76 lone 3 90 - 3 - HG2 LYS 96 - QE TYR 102 lone 3 80 - 3 - ~4689=1 HG3 LYS 17 - QE TYR 76 lone 2 93 - 2 - QB ALA 113 - QE TYR 102 lone 2 73 - 3 - 4690/2.2=1 HG3 LYS 17 - QE TYR 102 lone 2 100 - 2 - HG LEU 80 - QE TYR 76 lone 2 68 - 3 - HG2 LYS 96 - QE TYR 76 lone 2 71 - 2 - HG3 LYS 44 - QE TYR 102 lone 1 87 - 2 - QB ALA 113 - QE TYR 76 lone 1 64 - 1 - Peak 4625 from aronoe.peaks (1.56, 6.72, 118.20 ppm; 3.80 A): 5 out of 22 assignments used, quality = 0.89: HB VAL 78 + QE TYR 102 OK 64 100 - 64 - 9872/2.2=19, ~4694=13...(11) HG12 ILE 3 + QE TYR 76 OK 34 94 - 36 - ~4613=20, 3.2/9018=6...(5) HB VAL 78 + QE TYR 76 OK 29 93 - 31 - ~9874=14, 2.1/9873=8...(5) HG12 ILE 3 + QE TYR 102 OK 26 100 - 26 - 3.2/9018=5, 1.8/10192=4...(8) HG LEU 55 + QE TYR 102 OK 10 98 - 10 - 2.1/4630=2, ~4693=2...(5) HG2 LYS 123 - QE TYR 102 lone 7 77 - 9 - ~11211=2, ~11208=2...(5) QB ALA 46 - QE TYR 76 lone 7 83 - 8 - 9452=4, 9461/9799=2, 9461/9818=1 QB ALA 46 - QE TYR 102 lone 5 92 - 6 - 9452=3 HD2 LYS 106 - QE TYR 102 lone 4 100 - 4 - HD3 LYS 106 - QE TYR 102 lone 4 100 - 4 - HB3 LEU 70 - QE TYR 102 lone 4 92 - 4 - ~4691=1, 4689/2.2=1 HG3 LYS 96 - QE TYR 102 lone 3 92 - 3 - 4689/2.2=1 HG2 LYS 115 - QE TYR 102 lone 2 100 - 2 - HD2 LYS 106 - QE TYR 76 lone 2 94 - 2 - HD3 LYS 106 - QE TYR 76 lone 2 94 - 2 - HG LEU 55 - QE TYR 76 lone 2 90 - 2 - HG3 LYS 96 - QE TYR 76 lone 2 83 - 2 - HB3 LEU 70 - QE TYR 76 lone 2 83 - 2 - HG2 LYS 123 - QE TYR 76 lone 2 68 - 2 - HG2 LYS 65 - QE TYR 102 lone 1 89 - 1 - HG2 LYS 115 - QE TYR 76 lone 1 94 - 1 - HG2 LYS 65 - QE TYR 76 lone 1 80 - 1 - Peak 4626 from aronoe.peaks (1.25, 6.72, 118.20 ppm; 4.17 A): 0 out of 10 assignments used, low quality = 0.39: HD2 LYS 2 - QE TYR 76 OK 23 64 - 37 - 2.9/4627=15, 1.8/4628=9...(5) HG12 ILE 54 - QE TYR 102 OK 21 99 - 21 - ~4691=5, 3.2/9492=5...(5) HG3 LYS 61 - QE TYR 76 poor 9 77 - 11 - 1.8/4627=5, ~4614=2...(4) HG12 ILE 54 - QE TYR 76 lone 7 92 - 8 - 11235/9038=3, 3.2/9492=2 HG13 ILE 7 - QE TYR 76 lone 6 87 - 7 - ~4618=2, 1.8/10190=1 HG13 ILE 7 - QE TYR 102 lone 6 95 - 7 - ~4692=2, 1.8/10190=1 HD2 LYS 2 - QE TYR 102 lone 6 73 - 7 - 2.9/4627=3, 1.8/4628=2 HG3 LYS 61 - QE TYR 102 lone 5 87 - 6 - 1.8/4627=3 QG2 THR 108 - QE TYR 76 lone 1 93 - 2 - QG2 THR 108 - QE TYR 102 lone 1 100 - 1 - Peak 4627 from aronoe.peaks (1.04, 6.72, 118.20 ppm; 3.82 A): 0 out of 6 assignments used, low quality = 0.23: HG3 LYS 2 - QE TYR 76 OK 23 85 - 28 - 4614/2.2=9, 2.9/4626=7...(5) HB2 PHE 79 - QE TYR 102 lone 8 100 - 8 - 4.0/1526=4, ~4687=1 HB2 PHE 79 - QE TYR 76 lone 6 94 - 7 - 4.0/1526=3, 4614/2.2=2 HG2 LYS 61 - QE TYR 76 lone 6 68 - 9 - 1.8/4626=3, 4614/2.2=3 HG3 LYS 2 - QE TYR 102 lone 5 94 - 5 - 2.9/4626=2, 2.9/4628=2 HG2 LYS 61 - QE TYR 102 lone 4 77 - 5 - 1.8/4626=2 Peak 4628 from aronoe.peaks (0.95, 6.72, 118.20 ppm; 3.87 A): 5 out of 12 assignments used, quality = 0.61: HD3 LYS 2 + QE TYR 76 OK 24 71 - 34 - 2.9/4627=13, 1.8/4626=9...(5) HG13 ILE 56 + QE TYR 76 OK 17 77 - 23 - 4615/2.2=7, 1.8/4624=3...(9) HG13 ILE 56 + QE TYR 102 OK 17 87 - 20 - ~4690=5, 1.8/4624=3...(8) QD2 LEU 127 + QE TYR 102 OK 14 77 - 19 - 10829/2.2=11...(3) QG1 VAL 104 + QE TYR 102 OK 13 69 - 19 - ~10245=7, ~4691=5...(5) QD1 LEU 38 - QE TYR 102 lone 6 73 - 9 - ~4691=4, 10993/4.4=2 HD3 LYS 2 - QE TYR 102 lone 5 80 - 7 - 2.9/4627=3, 1.8/4626=2 QD1 LEU 38 - QE TYR 76 lone 3 64 - 5 - 4615/2.2=2 HG3 LYS 53 - QE TYR 76 lone 1 80 - 1 - QD2 LEU 127 - QE TYR 76 lone 1 68 - 1 - QG1 VAL 104 - QE TYR 76 lone 1 61 - 2 - HG3 LYS 53 - QE TYR 102 lone 1 89 - 1 - Peak 4629 from aronoe.peaks (0.82, 6.72, 118.20 ppm; 3.07 A): 4 out of 16 assignments used, quality = 0.82: QG2 ILE 71 + QE TYR 76 OK 56 89 - 63 - 9798/2.2=17, 9799=9...(17) QD2 LEU 74 + QE TYR 76 OK 34 91 - 37 - 2.1/9818=10, 4616/2.2=7...(10) QD1 LEU 74 + QE TYR 76 OK 29 89 - 33 - 9818=10, 9817/2.2=7...(9) QG2 ILE 71 + QE TYR 102 OK 11 97 - 11 - 9775/4633=4, 9799=2...(4) QG2 ILE 5 - QE TYR 102 poor 9 69 - 13 - 3.2/9053=3, 3.0/9055=2...(7) QD1 LEU 64 - QE TYR 102 lone 7 92 - 7 - 11269/4633=4, ~4692=1 QD1 LEU 64 - QE TYR 76 lone 5 83 - 6 - 11689/6.4=1...(3) QD2 LEU 82 - QE TYR 102 lone 3 100 - 3 - 11396/10139=1 QG2 ILE 5 - QE TYR 76 lone 3 61 - 4 - QD1 LEU 114 - QE TYR 76 lone 2 53 - 4 - QD2 LEU 82 - QE TYR 76 lone 2 94 - 2 - QD1 LEU 74 - QE TYR 102 lone 2 97 - 2 - QD2 LEU 74 - QE TYR 102 lone 2 99 - 2 - QG2 ILE 57 - QE TYR 76 lone 2 64 - 3 - 9564/4.4=1 QD1 LEU 114 - QE TYR 102 lone 1 61 - 1 - QG2 ILE 57 - QE TYR 102 lone 1 73 - 1 - Peak 4630 from aronoe.peaks (0.69, 6.72, 118.20 ppm; 3.32 A): 6 out of 16 assignments used, quality = 0.91: QG2 ILE 97 + QE TYR 102 OK 62 98 - 63 - 10152/2.2=18...(12) QD2 LEU 4 + QE TYR 76 OK 52 83 - 63 - 9039/2.2=18, ~9037=15...(14) QD2 LEU 4 + QE TYR 102 OK 21 92 - 23 - 4693/2.2=6, 9040=3...(9) QG2 ILE 56 + QE TYR 102 OK 17 98 - 17 - 4693/2.2=4, 3.2/4628=3...(7) QG2 ILE 56 + QE TYR 76 OK 13 90 - 14 - 3.2/4628=3, ~4615=2...(7) QD1 LEU 55 + QE TYR 102 OK 11 99 - 11 - 4693/2.2=3, 2.1/4735=1...(4) QG2 ILE 97 - QE TYR 76 lone 4 90 - 5 - 11496/4632=1, 3.0/10139=1 QD1 ILE 116 - QE TYR 102 lone 3 95 - 3 - QD1 LEU 55 - QE TYR 76 lone 2 92 - 3 - QD1 ILE 57 - QE TYR 76 lone 2 53 - 4 - 9561/5.6=2 QD2 LEU 81 - QE TYR 102 lone 2 65 - 3 - 9766/4632=1 QD2 LEU 114 - QE TYR 76 lone 2 57 - 3 - QD2 LEU 114 - QE TYR 102 lone 1 65 - 2 - QD1 ILE 57 - QE TYR 102 lone 1 61 - 1 - QD2 LEU 81 - QE TYR 76 lone 0 57 - 1 - QD1 ILE 116 - QE TYR 76 lone 0 87 - 0 - Peak 4631 from aronoe.peaks (0.64, 6.72, 118.20 ppm; 3.37 A): 6 out of 14 assignments used, quality = 0.90: QD1 LEU 4 + QE TYR 76 OK 66 94 - 70 - 9037/2.2=27, ~9039=14...(14) QD1 ILE 71 + QE TYR 76 OK 44 77 - 57 - 3.3/9799=10, ~9798=9...(15) QD1 LEU 4 + QE TYR 102 OK 21 100 - 21 - 2.1/9040=4, ~4693=3...(9) QD1 ILE 54 + QE TYR 102 OK 16 97 - 17 - 2.1/4626=6, ~4691=3...(5) QD1 ILE 5 + QE TYR 102 OK 11 65 - 17 - 2.1/9053=4, 2.1/9051=3...(7) HG13 ILE 15 + QE TYR 76 OK 11 90 - 12 - ~4610=3, ~4618=3...(6) QD1 ILE 56 - QE TYR 102 poor 10 61 - 16 - 2.1/4628=4, ~4690=4...(7) QD1 ILE 71 - QE TYR 102 poor 10 87 - 11 - 3.3/9799=2, 9776/10139=2...(6) QD1 ILE 56 - QE TYR 76 poor 9 53 - 18 - 2.1/4628=4, ~4615=3...(6) QD1 ILE 54 - QE TYR 76 lone 5 89 - 5 - 2.1/4626=2, 3.1/9492=1 QG1 VAL 22 - QE TYR 76 lone 3 92 - 4 - 10858/4.4=1 QD1 ILE 5 - QE TYR 76 lone 3 57 - 6 - 2.1/9053=1 QG1 VAL 22 - QE TYR 102 lone 2 99 - 2 - HG13 ILE 15 - QE TYR 102 lone 2 98 - 2 - Peak 4632 from aronoe.peaks (0.52, 6.72, 118.20 ppm; 4.09 A): 2 out of 2 assignments used, quality = 0.81: QD1 LEU 68 + QE TYR 102 OK 77 94 - 82 - 2.1/4633=32, 4695/2.2=32...(11) QD1 LEU 68 + QE TYR 76 OK 19 85 - 22 - 2.1/4633=9, 9745=4...(5) Peak 4633 from aronoe.peaks (0.39, 6.72, 118.20 ppm; 3.61 A): 2 out of 2 assignments used, quality = 0.78: QD2 LEU 68 + QE TYR 102 OK 73 98 - 75 - 4696/2.2=33, 2.1/4632=23...(11) QD2 LEU 68 + QE TYR 76 OK 20 90 - 22 - 2.1/4632=6, 9750=5...(6) Peak 4634 from aronoe.peaks (5.17, 6.72, 131.81 ppm; 4.29 A): 1 out of 2 assignments used, quality = 0.56: HA VAL 78 + QD PHE 79 OK 56 97 - 58 - 3.6/4636=28, 3.2/9878=12...(10) HA ILE 7 - QD PHE 79 lone 4 96 - 4 - 491/4.5=1 Peak 4635 from aronoe.peaks (4.83, 6.72, 131.81 ppm; 4.45 A): 3 out of 3 assignments used, quality = 0.93: HA ILE 3 + QD PHE 79 OK 70 94 - 75 - 3.2/4662=35, ~4658=20...(10) HA ILE 5 + QD PHE 79 OK 69 100 - 69 - 3.2/4647=14, 3.9/9053=14...(13) HA ILE 54 + QD PHE 79 OK 25 90 - 27 - 9896/2.4=8, 3.2/9492=8...(5) Peak 4636 from aronoe.peaks (8.38, 6.72, 131.81 ppm; 3.78 A): 1 out of 5 assignments used, quality = 0.73: H PHE 79 + QD PHE 79 OK 73 100 - 73 - 4.5=58, 3.6/4634=20...(9) H ASP 31 - QD PHE 79 lone 3 100 - 3 - H ASP 36 - QD PHE 79 lone 3 87 - 3 - H ASN 11 - QD PHE 79 lone 2 92 - 2 - H MET 67 - QD PHE 79 lone 1 65 - 2 - Peak 4638 from aronoe.peaks (4.15, 7.10, 130.14 ppm; 4.50 A): 3 out of 8 assignments used, quality = 0.95: HA ALA 124 + QE PHE 79 OK 91 99 - 92 - 2.1/10629=37, 10625=36...(14) HA LEU 45 + QE PHE 79 OK 33 100 - 33 - 3.0/4655=9, 4.0/9448=6...(6) HA ARG 95 + QE PHE 79 OK 13 100 - 13 - ~4663=3, 4639/2.2=3...(4) HA VAL 22 - QE PHE 79 poor 7 70 - 10 - 9005/4658=2, 3.2/4661=2...(5) HA LEU 63 - QE PHE 79 lone 6 77 - 7 - 4639/2.2=1, 9016/4659=1 HA GLN 122 - QE PHE 79 lone 5 81 - 7 - 8307/10623=3, 4639/2.2=1 HA GLU 89 - QE PHE 79 lone 5 100 - 5 - HA LEU 70 - QE PHE 79 lone 5 87 - 5 - 10653/10830=1 Peak 4639 from aronoe.peaks (4.15, 6.99, 128.17 ppm; 4.56 A): 3 out of 9 assignments used, quality = 0.92: HA ALA 124 + HZ PHE 79 OK 88 100 - 88 - 10624=36, 10625/2.2=29...(11) HA LEU 45 + HZ PHE 79 OK 24 100 - 24 - 4638/2.2=7, 3.0/4665=6...(4) HA ARG 95 + HZ PHE 79 OK 13 99 - 13 - 3.0/4663=6, 4638/2.2=3...(4) HA GLN 122 - HZ PHE 79 lone 5 90 - 6 - 8307/10622=3, 4638/2.2=1 HA LEU 63 - HZ PHE 79 lone 5 87 - 5 - 3.0/4664=1, 4638/2.2=1 HA VAL 22 - HZ PHE 79 lone 4 81 - 6 - 4638/2.2=2 HA GLU 89 - HZ PHE 79 lone 4 100 - 4 - 4638/2.2=1 HA LEU 70 - HZ PHE 79 lone 3 77 - 4 - 4638/2.2=1 HA3 GLY 26 - HZ PHE 79 lone 1 57 - 1 - Peak 4640 from aronoe.peaks (2.35, 6.72, 131.81 ppm; 4.11 A): 0 out of 7 assignments used, low quality = 0.33: HB3 PHE 120 - QD PHE 79 OK 33 92 - 36 - 4.4/4723=18, ~11693=9...(7) HG3 GLN 100 - QD PHE 79 lone 5 100 - 5 - 3.0/10889=3, 3.0/10890=2 HB3 TYR 27 - QD PHE 79 lone 3 61 - 5 - ~11693=2 HG2 GLU 13 - QD PHE 79 lone 1 96 - 1 - HG2 GLN 83 - QD PHE 79 lone 1 70 - 1 - HG3 GLU 112 - QD PHE 79 lone 1 77 - 1 - HG2 GLU 112 - QD PHE 79 lone 1 73 - 1 - Peak 4641 from aronoe.peaks (2.28, 6.72, 131.81 ppm; 4.26 A): 0 out of 12 assignments used, low quality = 0.00: HG3 GLU 91 - QD PHE 79 lone 5 99 - 5 - 11104/3.7=4 HG2 GLU 69 - QD PHE 79 lone 3 94 - 3 - 3.0/10889=2 HG2 GLU 89 - QD PHE 79 lone 2 61 - 3 - HB3 ASN 8 - QD PHE 79 lone 2 94 - 2 - HB2 MET 121 - QD PHE 79 lone 1 96 - 1 - HG3 GLU 92 - QD PHE 79 lone 1 70 - 2 - HG2 GLU 111 - QD PHE 79 lone 1 99 - 1 - HB2 GLU 37 - QD PHE 79 lone 1 84 - 1 - HG2 GLU 87 - QD PHE 79 lone 1 84 - 1 - HG3 GLU 87 - QD PHE 79 lone 1 84 - 1 - HG2 GLU 47 - QD PHE 79 lone 1 84 - 1 - HG3 GLU 111 - QD PHE 79 lone 1 84 - 1 - Peak 4644 from aronoe.peaks (1.96, 6.72, 131.81 ppm; 4.08 A): 0 out of 12 assignments used, low quality = 0.17: HB3 GLU 128 - QD PHE 79 OK 17 96 - 18 - 4663/3.8=7, ~10879=7, ~9688=4 HB VAL 104 - QD PHE 79 lone 7 73 - 9 - 4663/3.8=3, 2.1/10244=3 HB3 ARG 95 - QD PHE 79 lone 6 96 - 6 - 4663/3.8=4, ~4638=1 HB3 MET 42 - QD PHE 79 lone 5 87 - 6 - 4.2/9409=4, 4663/3.8=2 HB VAL 29 - QD PHE 79 lone 5 94 - 5 - 4663/3.8=2 HB3 LYS 39 - QD PHE 79 lone 5 81 - 6 - 4663/3.8=2 HB3 LYS 96 - QD PHE 79 lone 3 94 - 3 - 4663/3.8=1, ~10463=1 HB2 GLU 41 - QD PHE 79 lone 2 87 - 2 - HB3 LYS 40 - QD PHE 79 lone 2 70 - 3 - HB3 GLU 41 - QD PHE 79 lone 2 84 - 2 - HB3 GLU 52 - QD PHE 79 lone 2 92 - 2 - HB3 GLU 21 - QD PHE 79 lone 1 90 - 1 - Peak 4645 from aronoe.peaks (1.80, 6.72, 131.81 ppm; 4.23 A): 2 out of 11 assignments used, quality = 0.98: HB ILE 3 + QD PHE 79 OK 88 100 - 89 - 2.1/4662=40, ~4658=24...(12) HG12 ILE 5 + QD PHE 79 OK 82 100 - 82 - 1.8/9053=18, 2.1/4649=15...(20) HB ILE 97 - QD PHE 79 OK 40 99 - 41 - ~10153=16, 2.1/10150=9...(6) HB2 LEU 64 - QD PHE 79 OK 26 77 - 33 - 9689/2.2=10, ~9688=6...(9) HB ILE 18 - QD PHE 79 lone 7 70 - 10 - 2.9/4648=2, 3.2/4649=1 HG2 ARG 105 - QD PHE 79 lone 7 100 - 7 - 10252/4723=4 HB3 ARG 105 - QD PHE 79 lone 4 87 - 5 - 4728/4723=2 HB ILE 57 - QD PHE 79 lone 3 61 - 5 - 2.1/4647=1 HB2 ARG 118 - QD PHE 79 lone 3 99 - 3 - HB2 LEU 14 - QD PHE 79 lone 3 61 - 5 - 1.8/4646=1 HB2 LYS 19 - QD PHE 79 lone 2 73 - 3 - Peak 4646 from aronoe.peaks (1.51, 6.72, 131.81 ppm; 4.16 A): 3 out of 11 assignments used, quality = 0.80: QB ALA 124 + QD PHE 79 OK 71 94 - 76 - 10629/2.2=31, 10627=17...(11) HG LEU 6 + QD PHE 79 OK 18 97 - 19 - 9912/2.2=4, 2.1/4648=3...(8) HB2 LEU 6 + QD PHE 79 OK 16 99 - 16 - 9912/2.2=3, 3.1/4648=3...(7) HD3 LYS 17 - QD PHE 79 lone 6 99 - 6 - 9912/2.2=1 HG LEU 38 - QD PHE 79 lone 4 96 - 5 - 9912/2.2=1, ~9910=1 HB3 ARG 30 - QD PHE 79 lone 4 100 - 4 - HB3 LEU 14 - QD PHE 79 lone 3 77 - 4 - HB2 LYS 61 - QD PHE 79 lone 3 99 - 3 - HG2 LYS 43 - QD PHE 79 lone 3 100 - 3 - HG2 ARG 30 - QD PHE 79 lone 2 73 - 3 - HG2 LYS 20 - QD PHE 79 lone 1 97 - 1 - Peak 4647 from aronoe.peaks (0.84, 6.72, 131.81 ppm; 3.65 A): 4 out of 8 assignments used, quality = 0.94: QG2 ILE 5 + QD PHE 79 OK 73 100 - 73 - 3.2/9053=10, 3.0/4649=10...(26) HG13 ILE 5 + QD PHE 79 OK 72 100 - 72 - 9053=12, 2.1/4649=12...(23) QG2 ILE 15 + QD PHE 79 OK 14 99 - 14 - 3.2/4649=2, 9050=2...(4) QG2 VAL 22 + QD PHE 79 OK 10 90 - 12 - 10870/4640=4, 2.1/4649=2 QD2 LEU 82 - QD PHE 79 poor 9 65 - 14 - 9982/2.2=2, 9986/4.6=2...(8) QG2 ILE 57 - QD PHE 79 lone 5 100 - 5 - QD1 LEU 14 - QD PHE 79 lone 3 73 - 4 - HG13 ILE 57 - QD PHE 79 lone 3 73 - 3 - Peak 4648 from aronoe.peaks (0.73, 6.72, 131.81 ppm; 4.39 A): 6 out of 11 assignments used, quality = 0.94: QG2 VAL 78 + QD PHE 79 OK 75 99 - 75 - 3.2/4634=29, 4.1/4636=26...(12) QD2 LEU 45 + QD PHE 79 OK 41 99 - 42 - 9448/2.2=15, 9450=8...(7) QG2 ILE 54 + QD PHE 79 OK 23 70 - 33 - ~9896=6, ~9895=5, 9492=5...(11) QD1 LEU 6 + QD PHE 79 OK 22 81 - 28 - 11561/4.6=7, 2.1/4646=5...(9) QD2 LEU 6 + QD PHE 79 OK 19 98 - 19 - 2.1/4646=5, 3.1/4646=4...(7) HG13 ILE 18 + QD PHE 79 OK 12 100 - 12 - 2.1/4649=2, ~9903=1...(4) QG2 ILE 18 - QD PHE 79 lone 9 90 - 10 - 2.9/4649=2, ~9903=1, ~9906=1 QD2 LEU 55 - QD PHE 79 lone 9 97 - 9 - 11487/9051=2...(3) QG2 ILE 7 - QD PHE 79 lone 6 77 - 8 - 3.2/4634=2, 11582/9878=2 QG1 VAL 117 - QD PHE 79 lone 3 96 - 3 - 10565/4640=1 QD1 LEU 63 - QD PHE 79 lone 3 87 - 3 - Peak 4649 from aronoe.peaks (0.63, 6.72, 131.81 ppm; 3.86 A): 3 out of 7 assignments used, quality = 0.95: QD1 ILE 5 + QD PHE 79 OK 81 100 - 81 - 10740/2.4=19...(23) QG1 VAL 78 + QD PHE 79 OK 61 87 - 70 - 3.2/4634=23, 4.1/4636=20...(12) QD1 ILE 54 + QD PHE 79 OK 30 96 - 31 - 3.1/9492=6, 10740/2.4=5...(11) HG13 ILE 15 - QD PHE 79 OK 15 94 - 16 - 3.2/4647=2, 4661/2.2=2...(6) QG1 VAL 22 - QD PHE 79 OK 11 90 - 12 - 2.1/4647=2, 10868/4640=2...(4) QD1 ILE 18 - QD PHE 79 poor 10 81 - 12 - 2.1/4648=2, 11352/4640=1...(6) QD1 LEU 4 - QD PHE 79 poor 9 77 - 11 - 9009/4662=2, 9916/4.6=1 Peak 4650 from aronoe.peaks (2.08, 7.10, 130.14 ppm; 4.60 A): 1 out of 1 assignment used, quality = 0.99: HB3 PHE 79 + QE PHE 79 OK 99 99 - 100 - 4.4=100 Peak 4651 from aronoe.peaks (1.93, 7.10, 130.14 ppm; 3.97 A): 4 out of 20 assignments used, quality = 0.94: HB2 LEU 127 + QE PHE 79 OK 68 100 - 68 - 3.1/10830=22...(11) HB2 LYS 123 + QE PHE 79 OK 51 100 - 51 - 3.8/11210=18...(8) HB2 LYS 65 + QE PHE 79 OK 41 100 - 41 - 2.9/11376=15...(8) HB3 LYS 65 + QE PHE 79 OK 41 100 - 41 - 2.9/11376=15...(7) HB3 LYS 115 - QE PHE 79 OK 14 100 - 13 - 3.0/10463=3, 11055=2...(5) HB2 LYS 115 - QE PHE 79 OK 13 98 - 13 - 3.0/10463=3, 11055=2...(5) HB2 LYS 39 - QE PHE 79 OK 11 100 - 11 - ~4663=2, ~4644=2, 11055=1 HB VAL 104 - QE PHE 79 poor 9 87 - 11 - ~10244=3, 10223/10153=3...(4) HB ILE 15 - QE PHE 79 poor 7 61 - 12 - 2.9/4653=2, 2.9/4661=2...(6) HB3 LYS 39 - QE PHE 79 lone 5 81 - 6 - 1.8/11055=1 HB2 LEU 70 - QE PHE 79 lone 4 96 - 4 - HB3 LYS 40 - QE PHE 79 lone 3 90 - 4 - 2.7/4656=1 HB3 LYS 17 - QE PHE 79 lone 3 87 - 3 - 3.7/9912=1 HB2 LEU 81 - QE PHE 79 lone 3 77 - 4 - HG2 MET 121 - QE PHE 79 lone 3 70 - 4 - ~4641=1 HB VAL 29 - QE PHE 79 lone 2 61 - 4 - ~10244=1 HB3 GLU 41 - QE PHE 79 lone 2 77 - 3 - HB2 GLU 41 - QE PHE 79 lone 2 73 - 3 - HB3 GLU 52 - QE PHE 79 lone 1 65 - 1 - HB3 MET 42 - QE PHE 79 lone 1 73 - 1 - Peak 4652 from aronoe.peaks (1.84, 7.10, 130.14 ppm; 3.77 A): 4 out of 8 assignments used, quality = 0.94: HD2 LYS 123 + QE PHE 79 OK 55 100 - 55 - 11210=24, 1.8/11207=21...(6) HG LEU 127 + QE PHE 79 OK 51 81 - 64 - 2.1/10830=24, ~10831=15...(9) HB2 LYS 77 + QE PHE 79 OK 49 100 - 49 - 3.0/4656=12...(8) HB3 LYS 77 + QE PHE 79 OK 49 100 - 49 - 3.0/4656=12...(8) HG LEU 70 - QE PHE 79 lone 3 99 - 3 - 10114/10153=1 HB3 LYS 19 - QE PHE 79 lone 3 92 - 3 - QE MET 121 - QE PHE 79 lone 3 81 - 3 - HB2 ARG 105 - QE PHE 79 lone 2 84 - 2 - Peak 4653 from aronoe.peaks (1.74, 7.10, 130.14 ppm; 4.18 A): 4 out of 12 assignments used, quality = 0.76: HD3 LYS 123 + QE PHE 79 OK 54 90 - 60 - 1.8/11210=29, 11207=25...(5) HB2 LEU 68 + QE PHE 79 OK 34 92 - 37 - 1.8/4656=11, 3.0/4654=6...(11) HB3 LEU 82 + QE PHE 79 OK 13 100 - 13 - 3.1/9982=4, 3.0/4654=3...(4) HG12 ILE 15 + QE PHE 79 OK 10 90 - 11 - 1.8/4661=3, ~4649=2...(6) HB2 LEU 80 - QE PHE 79 poor 8 73 - 12 - 10816/5.6=7, ~9935=2...(4) HB2 LEU 114 - QE PHE 79 lone 5 100 - 5 - HG2 ARG 118 - QE PHE 79 lone 4 96 - 4 - 11024/11054=1 HB3 LYS 94 - QE PHE 79 lone 3 100 - 3 - HG2 LYS 17 - QE PHE 79 lone 2 65 - 4 - 3.0/9912=1 HG3 ARG 105 - QE PHE 79 lone 2 77 - 2 - HB3 LEU 90 - QE PHE 79 lone 1 77 - 1 - HB3 LYS 49 - QE PHE 79 lone 1 65 - 1 - Peak 4654 from aronoe.peaks (1.60, 7.10, 130.14 ppm; 4.09 A): 3 out of 11 assignments used, quality = 0.74: HB3 LEU 127 + QE PHE 79 OK 61 92 - 67 - 3.1/10830=23, ~10831=14...(11) HG LEU 68 + QE PHE 79 OK 24 77 - 31 - 3.0/4656=9, 3.0/4653=7...(8) HG LEU 82 + QE PHE 79 OK 12 99 - 12 - 2.1/9982=5, 3.0/4653=3...(4) HB2 LEU 82 - QE PHE 79 poor 7 65 - 11 - 3.1/9982=4, 1.8/4653=3, ~9907=2 HG3 LYS 40 - QE PHE 79 lone 3 70 - 4 - 1.8/4656=1 HG LEU 63 - QE PHE 79 lone 3 70 - 4 - HD3 LYS 19 - QE PHE 79 lone 2 94 - 2 - HD2 LYS 19 - QE PHE 79 lone 2 94 - 2 - HG3 LYS 19 - QE PHE 79 lone 2 97 - 2 - HG2 LYS 73 - QE PHE 79 lone 2 98 - 2 - HG12 ILE 116 - QE PHE 79 lone 1 61 - 2 - 1.8/4659=1 Peak 4655 from aronoe.peaks (1.49, 7.10, 130.14 ppm; 3.96 A): 2 out of 11 assignments used, quality = 0.83: QB ALA 124 + QE PHE 79 OK 75 90 - 83 - 10629=37, 2.1/10625=22...(12) HB3 LEU 45 + QE PHE 79 OK 34 97 - 35 - 9443/2.2=7, 4665/2.2=5...(10) HB2 LEU 6 - QE PHE 79 lone 7 77 - 9 - ~4646=2, 4665/2.2=2...(4) HB3 LEU 14 - QE PHE 79 lone 4 99 - 4 - 3.0/4656=1 HD2 LYS 53 - QE PHE 79 lone 4 84 - 5 - 3.0/9471=2, 3.0/9910=1 HG3 ARG 118 - QE PHE 79 lone 3 92 - 3 - 1.8/4653=1 HG2 ARG 30 - QE PHE 79 lone 3 99 - 3 - HG2 LYS 43 - QE PHE 79 lone 1 57 - 2 - HG2 LYS 20 - QE PHE 79 lone 1 84 - 1 - HG3 LYS 73 - QE PHE 79 lone 1 77 - 1 - HG3 LYS 20 - QE PHE 79 lone 1 70 - 1 - Peak 4656 from aronoe.peaks (1.37, 7.10, 130.14 ppm; 4.36 A): 2 out of 7 assignments used, quality = 0.69: HG2 LYS 77 + QE PHE 79 OK 54 73 - 73 - 3.7/10808=20...(12) HB3 LEU 68 + QE PHE 79 OK 34 92 - 37 - 1.8/4653=10, 3.0/4654=7...(9) HG LEU 14 - QE PHE 79 lone 5 97 - 6 - 11651/4661=1, 3.0/4655=1 HG2 LYS 40 - QE PHE 79 lone 4 96 - 4 - 1.8/4654=1 HG2 LYS 94 - QE PHE 79 lone 3 100 - 3 - HG3 LYS 43 - QE PHE 79 lone 3 100 - 3 - HB3 LEU 81 - QE PHE 79 lone 3 77 - 4 - Peak 4657 from aronoe.peaks (1.19, 7.10, 130.14 ppm; 4.35 A): 0 out of 1 assignment used, low quality = 0.22: HB3 LEU 74 - QE PHE 79 OK 22 100 - 22 - ~9818=7, 3.0/9914=5...(5) Peak 4658 from aronoe.peaks (1.08, 7.10, 130.14 ppm; 3.47 A): 1 out of 3 assignments used, quality = 0.80: QG2 ILE 3 + QE PHE 79 OK 80 100 - 80 - 9021=33, 4662/2.2=30...(12) HG2 LYS 2 - QE PHE 79 lone 5 96 - 5 - 4662/2.2=2, 2.9/4659=1 HG2 LYS 53 - QE PHE 79 lone 4 90 - 4 - 4662/2.2=2, 9471=1 Peak 4659 from aronoe.peaks (0.97, 7.10, 130.14 ppm; 3.82 A): 1 out of 5 assignments used, quality = 0.83: QD1 ILE 3 + QE PHE 79 OK 83 99 - 84 - 9026=32, 3.0/4658=28...(14) HD3 LYS 2 - QE PHE 79 lone 4 81 - 5 - 2.9/11382=2 QD1 LEU 38 - QE PHE 79 lone 4 87 - 4 - HG13 ILE 116 - QE PHE 79 lone 3 99 - 3 - HG13 ILE 56 - QE PHE 79 lone 1 73 - 1 - Peak 4660 from aronoe.peaks (0.83, 7.10, 130.14 ppm; 4.56 A): 3 out of 9 assignments used, quality = 0.94: QG2 ILE 5 + QE PHE 79 OK 73 98 - 74 - 4647/2.2=16, 3.0/4661=12...(16) HG13 ILE 5 + QE PHE 79 OK 66 90 - 74 - 9053/2.2=17, 2.1/4661=14...(15) QD2 LEU 74 + QE PHE 79 OK 36 73 - 49 - 3.1/4657=33, ~9818=10...(6) QD1 LEU 74 - QE PHE 79 OK 30 65 - 47 - 3.1/4657=33, 9818/2.2=8...(6) QD2 LEU 82 - QE PHE 79 OK 24 92 - 26 - 9982=7, 2.1/4654=4...(9) QG2 ILE 15 - QE PHE 79 OK 15 87 - 18 - 9050/2.2=3, 3.2/4653=3...(8) QG2 VAL 22 - QE PHE 79 poor 8 61 - 13 - 4647/2.2=2, 2.1/4661=2...(5) QG2 ILE 57 - QE PHE 79 lone 6 99 - 6 - 4647/2.2=1 QG2 ILE 71 - QE PHE 79 lone 5 65 - 8 - 9799/2.2=2, ~9801=2 Peak 4661 from aronoe.peaks (0.63, 7.10, 130.14 ppm; 4.53 A): 3 out of 7 assignments used, quality = 0.94: QD1 ILE 5 + QE PHE 79 OK 78 100 - 78 - 10740/4.4=17...(15) QG1 VAL 78 + QE PHE 79 OK 62 87 - 71 - ~4634=19, 9878/2.2=13...(15) QD1 ILE 54 + QE PHE 79 OK 28 96 - 29 - ~9492=7, 4649/2.2=6...(9) HG13 ILE 15 - QE PHE 79 OK 16 94 - 17 - 1.8/4653=3, 4649/2.2=3...(7) QG1 VAL 22 - QE PHE 79 OK 11 90 - 12 - 4649/2.2=2, 9009/4658=2...(6) QD1 ILE 18 - QE PHE 79 lone 8 81 - 9 - 4649/2.2=2, ~4648=1...(4) QD1 LEU 4 - QE PHE 79 lone 6 77 - 8 - 9009/4658=3, 9038/2.2=2 Peak 4662 from aronoe.peaks (1.08, 6.72, 131.81 ppm; 3.28 A): 1 out of 5 assignments used, quality = 0.71: QG2 ILE 3 + QD PHE 79 OK 71 100 - 71 - 4658/2.2=26, 9018=16...(16) HG2 LYS 2 - QD PHE 79 lone 4 87 - 4 - 4658/2.2=2 HG2 LYS 53 - QD PHE 79 lone 4 97 - 4 - 9471/2.2=2 HG2 LYS 19 - QD PHE 79 lone 1 65 - 2 - HD3 LYS 61 - QD PHE 79 lone 0 73 - 1 - Peak 4663 from aronoe.peaks (1.96, 6.99, 128.17 ppm; 4.03 A): 0 out of 12 assignments used, low quality = 0.17: HB3 GLU 128 - HZ PHE 79 OK 17 96 - 17 - 4644/3.8=7, ~10879=7, ~9688=4 HB3 ARG 95 - HZ PHE 79 lone 9 96 - 9 - 4644/3.8=3, 3.0/4639=2...(4) HB VAL 104 - HZ PHE 79 lone 7 73 - 9 - 2.1/10245=3, 4644/3.8=3...(4) HB3 LYS 39 - HZ PHE 79 lone 5 81 - 7 - 4644/3.8=2 HB VAL 29 - HZ PHE 79 lone 5 94 - 5 - 4644/3.8=2, 2.1/10245=1 HB3 MET 42 - HZ PHE 79 lone 4 87 - 5 - 4644/3.8=2, 4.2/4664=2 HB3 LYS 96 - HZ PHE 79 lone 3 94 - 3 - 4644/3.8=1, ~10463=1 HB3 LYS 40 - HZ PHE 79 lone 2 70 - 3 - HB2 GLU 41 - HZ PHE 79 lone 2 87 - 2 - HB3 GLU 52 - HZ PHE 79 lone 2 92 - 2 - HB3 GLU 41 - HZ PHE 79 lone 2 84 - 2 - HB3 GLU 21 - HZ PHE 79 lone 1 90 - 1 - Peak 4664 from aronoe.peaks (1.87, 6.99, 128.17 ppm; 4.18 A): 3 out of 11 assignments used, quality = 0.66: HG LEU 127 + HZ PHE 79 OK 54 94 - 57 - 2.1/4666=26, ~10830=19...(7) HG LEU 45 + HZ PHE 79 OK 18 77 - 23 - ~9448=10, 3.0/4665=5...(4) QE MET 42 + HZ PHE 79 OK 10 100 - 10 - 9409/3.8=4, 4.2/4663=2 HG2 ARG 95 - HZ PHE 79 lone 8 94 - 8 - 3.0/4663=5, 4.1/4639=2 HB2 LEU 63 - HZ PHE 79 lone 4 99 - 4 - HB3 ARG 118 - HZ PHE 79 lone 2 99 - 2 - HB2 ARG 105 - HZ PHE 79 lone 2 92 - 2 - HG LEU 70 - HZ PHE 79 lone 1 61 - 2 - QE MET 67 - HZ PHE 79 lone 1 84 - 1 - HB2 LYS 16 - HZ PHE 79 lone 1 84 - 1 - HB3 LYS 16 - HZ PHE 79 lone 1 81 - 1 - Peak 4665 from aronoe.peaks (1.50, 6.99, 128.17 ppm; 4.20 A): 2 out of 12 assignments used, quality = 0.88: QB ALA 124 + HZ PHE 79 OK 84 100 - 84 - 10629/2.2=34, 10628=24...(11) HB3 LEU 45 + HZ PHE 79 OK 25 77 - 33 - 4655/2.2=9, ~9448=9...(7) HB2 LEU 6 - HZ PHE 79 lone 9 97 - 9 - 4646/3.8=2, ~9912=2, 9912/2.2=2 HG LEU 6 - HZ PHE 79 lone 6 61 - 9 - 9912/2.2=3, 4646/3.8=3...(4) HB3 LEU 14 - HZ PHE 79 lone 4 100 - 4 - 4655/2.2=1 HG2 ARG 30 - HZ PHE 79 lone 3 99 - 3 - HD3 LYS 17 - HZ PHE 79 lone 2 73 - 3 - 9912/2.2=1 HG3 ARG 118 - HZ PHE 79 lone 2 65 - 3 - HG2 LYS 43 - HZ PHE 79 lone 2 87 - 2 - HB3 ARG 30 - HZ PHE 79 lone 2 84 - 3 - HB2 LYS 61 - HZ PHE 79 lone 2 73 - 2 - HG2 LYS 20 - HZ PHE 79 lone 1 99 - 1 - Peak 4666 from aronoe.peaks (1.02, 6.99, 128.17 ppm; 3.93 A): 2 out of 5 assignments used, quality = 0.77: QD1 LEU 127 + HZ PHE 79 OK 69 94 - 74 - 10830/2.2=24, 10831=24...(15) HG12 ILE 97 + HZ PHE 79 OK 26 65 - 39 - ~10153=11, 2.1/10140=9...(8) HG3 LYS 2 - HZ PHE 79 lone 5 81 - 6 - ~11382=2, ~4658=2, ~9910=1 HG13 ILE 71 - HZ PHE 79 lone 3 100 - 3 - HG2 LYS 61 - HZ PHE 79 lone 1 96 - 1 - Peak 4667 from aronoe.peaks (0.79, 7.22, 131.52 ppm; 3.77 A): 5 out of 8 assignments used, quality = 0.96: QD1 LEU 82 + QD PHE 93 OK 69 93 - 75 - 2.1/9983=28, 11398=25...(13) QD2 LEU 64 + QD PHE 93 OK 51 98 - 52 - 9693/2.2=17, ~9692=11...(12) QD1 LEU 81 + QD PHE 93 OK 41 98 - 42 - 11603/2.2=12, ~11385=6...(12) QD2 LEU 80 + QD PHE 93 OK 34 89 - 38 - 9938=12, 9934/2.2=11...(11) QD1 LEU 80 + QD PHE 93 OK 34 86 - 39 - 2.1/9938=14, ~9934=9...(11) QG1 VAL 29 - QD PHE 93 lone 6 77 - 8 - 2.1/4668=2, ~10246=1 QD1 ILE 7 - QD PHE 93 lone 2 58 - 3 - 9084/2.2=1 QD1 LEU 114 - QD PHE 93 lone 1 58 - 2 - Peak 4668 from aronoe.peaks (0.88, 7.22, 131.52 ppm; 4.30 A): 5 out of 9 assignments used, quality = 0.79: QG2 VAL 104 + QD PHE 93 OK 48 99 - 49 - ~10235=17, 10246/2.2=11...(9) QD2 LEU 90 + QD PHE 93 OK 35 98 - 35 - 10073=12, 10089/2.4=8...(7) QD1 LEU 90 + QD PHE 93 OK 20 58 - 34 - 2.1/10073=11...(7) QG2 VAL 107 + QD PHE 93 OK 14 70 - 20 - 10296/4.5=9, 7858/4.4=3...(6) QG2 VAL 29 + QD PHE 93 OK 10 83 - 12 - 10246/2.2=2, 10089/2.4=2...(7) QD2 LEU 38 - QD PHE 93 lone 4 97 - 5 - QD2 LEU 70 - QD PHE 93 lone 3 58 - 5 - 10099/4.4=3 QG2 VAL 117 - QD PHE 93 lone 2 58 - 3 - ~10529=2 QG1 VAL 32 - QD PHE 93 lone 1 66 - 2 - Peak 4672 from aronoe.peaks (1.94, 7.14, 130.55 ppm; 4.21 A): 6 out of 20 assignments used, quality = 0.90: HB2 LYS 65 + QE PHE 93 OK 47 100 - 47 - 3.4/11594=8, 3.4/11594=8...(10) HB3 LYS 65 + QE PHE 93 OK 47 100 - 47 - 3.4/11594=8, 3.4/11594=8...(10) HB2 LEU 81 + QE PHE 93 OK 38 70 - 55 - 3.1/11603=12...(11) HB VAL 104 + QE PHE 93 OK 24 92 - 26 - 2.1/10246=8, ~4668=8...(6) HB2 LEU 127 + QE PHE 93 OK 13 100 - 13 - 3.1/4678=4, 4681/2.2=2...(6) HB3 LYS 115 + QE PHE 93 OK 10 100 - 10 - 3.7/11594=2, 3.7/11594=2...(4) HB2 LYS 115 - QE PHE 93 poor 10 96 - 10 - 3.7/11594=2, 3.7/11594=2...(4) HB VAL 29 - QE PHE 93 lone 6 70 - 8 - 2.1/4679=2, ~4668=2...(4) HB3 LYS 17 - QE PHE 93 lone 4 81 - 5 - 11475/11604=1, 11475/9934=1 HB2 LYS 123 - QE PHE 93 lone 2 100 - 2 - HB2 LEU 70 - QE PHE 93 lone 2 98 - 2 - HB2 LYS 39 - QE PHE 93 lone 1 100 - 1 - HB3 LYS 40 - QE PHE 93 lone 1 94 - 1 - HB3 LYS 39 - QE PHE 93 lone 1 87 - 1 - HB3 GLU 128 - QE PHE 93 lone 1 65 - 1 - HB3 MET 42 - QE PHE 93 lone 1 81 - 1 - HB3 GLU 41 - QE PHE 93 lone 1 84 - 1 - HB3 GLU 52 - QE PHE 93 lone 1 73 - 1 - HB2 GLU 41 - QE PHE 93 lone 1 81 - 1 - HG2 MET 121 - QE PHE 93 lone 1 61 - 1 - Peak 4673 from aronoe.peaks (1.80, 7.14, 130.55 ppm; 4.65 A): 4 out of 9 assignments used, quality = 0.95: HB ILE 97 + QE PHE 93 OK 65 92 - 71 - 2.9/4678=32, 3.2/4742=20...(9) HB2 LEU 64 + QE PHE 93 OK 64 94 - 68 - 3.1/9693=21, 3.1/4679=18...(13) HB ILE 3 + QE PHE 93 OK 47 96 - 50 - 2.1/4677=26, ~4684=17...(4) HG2 ARG 105 + QE PHE 93 OK 18 97 - 19 - 10252=5, 3.0/10257=3...(6) HB3 ARG 105 - QE PHE 93 poor 9 65 - 14 - 3.0/10252=5, 3.8/10257=3...(4) HG12 ILE 5 - QE PHE 93 lone 8 94 - 9 - 10739/4677=4...(3) HB2 LYS 19 - QE PHE 93 lone 4 92 - 5 - 3.0/4677=1 HB2 ARG 118 - QE PHE 93 lone 2 100 - 2 - HB3 GLN 28 - QE PHE 93 lone 1 77 - 1 - Peak 4674 from aronoe.peaks (1.62, 7.14, 130.55 ppm; 4.41 A): 4 out of 10 assignments used, quality = 0.95: HB2 LEU 82 + QE PHE 93 OK 68 99 - 68 - ~9983=19, ~11398=17...(10) HB3 LEU 64 + QE PHE 93 OK 55 87 - 63 - 3.1/9693=19, 3.1/4679=16...(12) HG LEU 82 + QE PHE 93 OK 46 61 - 75 - ~9983=25, ~11398=22...(9) HD3 LYS 77 + QE PHE 93 OK 37 98 - 37 - 9849/2.2=9, ~9849=8...(9) HD2 LYS 77 - QE PHE 93 OK 36 97 - 37 - 9849/2.2=9, ~9849=8...(9) HB3 LEU 127 - QE PHE 93 OK 16 99 - 16 - 3.1/4678=4, 1.8/4672=3...(7) HB ILE 116 - QE PHE 93 OK 12 84 - 14 - 2.1/10465=4, ~4684=3...(5) HG LEU 63 - QE PHE 93 lone 3 100 - 3 - HG3 LYS 40 - QE PHE 93 lone 1 100 - 1 - HG2 LYS 16 - QE PHE 93 lone 1 92 - 1 - Peak 4675 from aronoe.peaks (1.50, 7.14, 130.55 ppm; 4.68 A): 3 out of 13 assignments used, quality = 0.48: HB2 LYS 61 + QE PHE 93 OK 26 81 - 32 - ~9656=16, 9659=13, 3.7/4677=5 QB ALA 124 + QE PHE 93 OK 18 100 - 18 - 9006/4677=8, 10629/2.2=5 HB2 LEU 6 + QE PHE 93 OK 15 99 - 15 - 3.1/9069=7, ~4683=3...(4) HG LEU 6 - QE PHE 93 poor 8 70 - 11 - 2.1/9069=8, 11640/9748=1 HG LEU 38 - QE PHE 93 lone 3 65 - 5 - ~4684=2 HD3 LYS 17 - QE PHE 93 lone 3 81 - 4 - HG2 LYS 43 - QE PHE 93 lone 3 92 - 3 - ~11703=1 HB3 LEU 14 - QE PHE 93 lone 2 99 - 2 - HG2 LYS 20 - QE PHE 93 lone 2 100 - 2 - HB3 ARG 30 - QE PHE 93 lone 1 90 - 2 - HG2 ARG 30 - QE PHE 93 lone 1 98 - 1 - HB3 LEU 45 - QE PHE 93 lone 1 70 - 1 - HG3 ARG 118 - QE PHE 93 lone 1 57 - 1 - Peak 4676 from aronoe.peaks (1.36, 7.14, 130.55 ppm; 4.52 A): 4 out of 6 assignments used, quality = 0.93: HB3 LEU 81 + QE PHE 93 OK 60 100 - 60 - 1.8/9944=14...(11) HG LEU 81 + QE PHE 93 OK 54 90 - 61 - 2.1/11603=16, 11385=13...(11) HG3 LYS 65 + QE PHE 93 OK 44 84 - 53 - ~4683=12, 3.0/11594=11...(11) HG2 LYS 77 + QE PHE 93 OK 32 100 - 32 - 9852/2.2=9, ~9849=7...(7) HG3 LYS 43 - QE PHE 93 lone 2 84 - 3 - 1.8/4675=1, ~11703=1 HG2 LYS 94 - QE PHE 93 lone 2 87 - 2 - Peak 4677 from aronoe.peaks (1.08, 7.14, 130.55 ppm; 4.22 A): 0 out of 5 assignments used, low quality = 0.37: QG2 ILE 3 - QE PHE 93 OK 37 99 - 38 - ~4684=15, 9021/2.2=12...(5) HD3 LYS 61 - QE PHE 93 poor 9 77 - 12 - 3.7/9659=12 HG2 LYS 53 - QE PHE 93 lone 8 98 - 8 - 3.0/9476=3, 3.0/9473=3 HG2 LYS 2 - QE PHE 93 lone 2 84 - 3 - HG2 LYS 19 - QE PHE 93 lone 2 70 - 3 - Peak 4678 from aronoe.peaks (0.99, 7.14, 130.55 ppm; 4.19 A): 1 out of 2 assignments used, quality = 0.55: HG12 ILE 97 + QE PHE 93 OK 55 96 - 58 - 2.1/4742=20, ~11312=19...(6) QD1 LEU 127 - QE PHE 93 poor 8 70 - 11 - ~10828=2, 10830/2.2=2...(5) Peak 4679 from aronoe.peaks (0.81, 7.14, 130.55 ppm; 3.81 A): 2 out of 7 assignments used, quality = 0.80: QD1 LEU 64 + QE PHE 93 OK 58 99 - 58 - 2.1/9693=18, 9692=13...(13) QD2 LEU 82 + QE PHE 93 OK 52 77 - 68 - 9983/2.2=20, ~11398=16...(12) QG1 VAL 29 - QE PHE 93 lone 6 92 - 6 - ~4668=1, 2.1/10246=1, ~10093=1 QG2 ILE 71 - QE PHE 93 lone 5 97 - 5 - 9775/9748=3 QD1 LEU 114 - QE PHE 93 lone 3 99 - 3 - QD1 LEU 74 - QE PHE 93 lone 0 97 - 0 - QD2 LEU 74 - QE PHE 93 lone 0 94 - 0 - Peak 4681 from aronoe.peaks (1.93, 7.08, 129.17 ppm; 4.20 A): 4 out of 16 assignments used, quality = 0.84: HB3 LYS 65 + HZ PHE 93 OK 44 99 - 44 - 2.9/4683=13...(9) HB2 LYS 65 + HZ PHE 93 OK 44 98 - 44 - 2.9/4683=13...(9) HB2 LEU 81 + HZ PHE 93 OK 43 94 - 46 - 9944/2.2=10, 3.1/4685=8...(9) HB2 LEU 127 + HZ PHE 93 OK 13 99 - 14 - ~4678=2, 3.1/10828=2...(7) HB VAL 104 - HZ PHE 93 poor 10 65 - 15 - ~10246=9, 4672/2.2=4 HB2 LYS 115 - HZ PHE 93 lone 7 100 - 7 - 4672/2.2=1, 3.0/10463=1, ~4672=1 HB3 LYS 115 - HZ PHE 93 lone 7 98 - 7 - 4672/2.2=2, 3.0/10463=1, ~4672=1 HB2 LYS 123 - HZ PHE 93 lone 5 98 - 5 - 10654/4684=1...(3) HB3 LYS 123 - HZ PHE 93 lone 4 81 - 5 - 10654/4684=2...(3) HB3 LYS 17 - HZ PHE 93 lone 4 98 - 4 - HB2 LYS 39 - HZ PHE 93 lone 1 98 - 1 - HB ILE 15 - HZ PHE 93 lone 1 84 - 1 - HG2 MET 121 - HZ PHE 93 lone 1 90 - 1 - HB2 LEU 70 - HZ PHE 93 lone 1 81 - 1 - HB3 LYS 40 - HZ PHE 93 lone 1 70 - 1 - HB2 LYS 44 - HZ PHE 93 lone 1 70 - 1 - Peak 4682 from aronoe.peaks (1.63, 7.08, 129.17 ppm; 4.19 A): 5 out of 11 assignments used, quality = 0.97: HB3 LEU 64 + HZ PHE 93 OK 63 99 - 64 - 9690=12, ~9693=10...(14) HB2 LEU 82 + HZ PHE 93 OK 57 99 - 57 - 3.1/9982=19, ~9981=15...(8) HG LEU 64 + HZ PHE 93 OK 43 70 - 61 - ~9693=13, ~9692=13...(13) HD2 LYS 77 + HZ PHE 93 OK 38 100 - 38 - 9849=7, 1.8/9849=7...(10) HD3 LYS 77 + HZ PHE 93 OK 38 100 - 38 - 1.8/9849=7, 9849=7...(10) HB ILE 116 - HZ PHE 93 OK 14 99 - 14 - 2.9/4684=4, ~10465=4...(4) HB3 LEU 127 - HZ PHE 93 OK 13 87 - 15 - 1.8/4681=3, 11522/4684=2...(7) HG LEU 63 - HZ PHE 93 lone 5 99 - 5 - 11072/4721=1 HG3 LYS 40 - HZ PHE 93 lone 1 99 - 1 - HG LEU 90 - HZ PHE 93 lone 1 81 - 1 - HG2 LYS 16 - HZ PHE 93 lone 1 100 - 1 - Peak 4683 from aronoe.peaks (1.53, 7.08, 129.17 ppm; 4.56 A): 0 out of 8 assignments used, low quality = 0.44: HG2 LYS 65 - HZ PHE 93 OK 32 77 - 41 - 5.0/11668=10, 2.9/4681=8...(7) HB2 LYS 61 - HZ PHE 93 OK 18 70 - 26 - 3.0/9656=16, 9659/2.2=11 HG LEU 6 - HZ PHE 93 poor 9 81 - 12 - ~9069=7, ~4675=4 HG LEU 38 - HZ PHE 93 lone 3 84 - 3 - 2.1/4684=2 HD3 LYS 17 - HZ PHE 93 lone 2 70 - 2 - HD2 LYS 94 - HZ PHE 93 lone 1 100 - 1 - HD3 LYS 94 - HZ PHE 93 lone 1 100 - 1 - QB ALA 46 - HZ PHE 93 lone 1 73 - 1 - Peak 4684 from aronoe.peaks (0.97, 7.08, 129.17 ppm; 4.01 A): 0 out of 5 assignments used, low quality = 0.36: QD1 ILE 3 - HZ PHE 93 OK 36 100 - 36 - 9026=15, ~4677=10...(5) HG13 ILE 116 - HZ PHE 93 lone 5 100 - 5 - ~10465=3, 2.9/4682=1 QD1 LEU 38 - HZ PHE 93 lone 2 94 - 3 - 2.1/4683=1 HD3 LYS 2 - HZ PHE 93 lone 2 90 - 2 - HG13 ILE 56 - HZ PHE 93 lone 1 84 - 1 - Peak 4685 from aronoe.peaks (0.79, 7.08, 129.17 ppm; 3.71 A): 5 out of 7 assignments used, quality = 0.92: QD2 LEU 64 + HZ PHE 93 OK 56 97 - 57 - 9693/2.2=16, ~9692=10...(15) QD1 LEU 82 + HZ PHE 93 OK 52 87 - 60 - 2.1/9982=17, ~9981=15...(11) QD1 LEU 81 + HZ PHE 93 OK 45 100 - 45 - 11603/2.2=12, ~11385=6...(11) QD2 LEU 80 + HZ PHE 93 OK 21 81 - 26 - 9938/3.8=9, 9934/2.2=8...(6) QD1 LEU 80 + HZ PHE 93 OK 17 77 - 22 - ~9934=8, 9925/4721=6...(4) QG1 VAL 29 - HZ PHE 93 lone 4 92 - 4 - ~10246=1 QD1 LEU 114 - HZ PHE 93 lone 2 77 - 3 - Peak 4686 from aronoe.peaks (2.23, 6.98, 132.43 ppm; 4.03 A): 2 out of 5 assignments used, quality = 0.52: HB2 GLN 100 + QD TYR 102 OK 34 61 - 56 - 4619/2.2=19, 1.8/4687=18...(7) HG2 GLN 28 + QD TYR 102 OK 27 92 - 29 - 4619/2.2=9, 3.0/4687=7...(8) HB3 GLN 122 - QD TYR 102 lone 5 87 - 6 - 4619/2.2=2, ~4619=2, ~4606=1 HB2 GLN 122 - QD TYR 102 lone 5 87 - 6 - 4619/2.2=2, ~4619=2, ~4606=1 HB2 GLN 83 - QD TYR 102 lone 4 70 - 5 - 1.8/4690=2, 4619/2.2=2 Peak 4687 from aronoe.peaks (2.06, 6.98, 132.43 ppm; 3.81 A): 2 out of 14 assignments used, quality = 0.64: HB3 GLN 100 + QD TYR 102 OK 51 87 - 59 - 1.8/10892=17, ~10889=13...(8) HB2 GLN 28 + QD TYR 102 OK 26 100 - 26 - 3.0/4686=9, 4620/2.2=5...(7) HB3 PHE 79 - QD TYR 102 lone 6 77 - 8 - ~4627=4 HB3 MET 67 - QD TYR 102 lone 6 90 - 7 - 4620/2.2=2, 9709/10152=1 HB3 GLU 91 - QD TYR 102 lone 6 94 - 6 - 8174/10819=5 HB2 LYS 94 - QD TYR 102 lone 4 92 - 4 - HB2 GLU 92 - QD TYR 102 lone 3 97 - 3 - 8174/10819=1 HB3 GLU 98 - QD TYR 102 lone 3 97 - 3 - HB VAL 117 - QD TYR 102 lone 3 84 - 3 - HG2 GLU 119 - QD TYR 102 lone 1 73 - 2 - HB3 MET 121 - QD TYR 102 lone 1 70 - 2 - HB2 GLU 13 - QD TYR 102 lone 1 99 - 1 - HB2 GLU 47 - QD TYR 102 lone 1 99 - 1 - HG3 GLU 52 - QD TYR 102 lone 1 73 - 1 - Peak 4688 from aronoe.peaks (1.80, 6.98, 132.43 ppm; 4.50 A): 4 out of 8 assignments used, quality = 0.94: HB ILE 97 + QD TYR 102 OK 79 87 - 91 - 2.1/10152=30, ~10118=23...(17) HB ILE 3 + QD TYR 102 OK 36 92 - 39 - 2.1/9019=10, ~9018=6...(11) HB3 GLN 28 + QD TYR 102 OK 32 84 - 38 - 3.0/4686=13, 1.8/4687=11...(8) HG12 ILE 5 + QD TYR 102 OK 28 90 - 32 - 2.1/4694=9, 9051/2.2=6...(9) HB2 LEU 64 - QD TYR 102 OK 24 97 - 25 - 11071/4695=9...(6) HG2 ARG 105 - QD TYR 102 lone 3 94 - 3 - HB2 ARG 118 - QD TYR 102 lone 2 100 - 2 - HB2 LYS 19 - QD TYR 102 lone 2 96 - 2 - Peak 4689 from aronoe.peaks (1.57, 6.98, 132.43 ppm; 3.96 A): 6 out of 12 assignments used, quality = 0.92: HG LEU 68 + QD TYR 102 OK 63 73 - 86 - 2.1/4696=39, 2.1/4695=34...(13) HB VAL 78 + QD TYR 102 OK 56 77 - 72 - 2.1/4694=23, 2.1/9875=19...(13) HG12 ILE 3 + QD TYR 102 OK 25 90 - 28 - 3.2/9019=7, 2.9/4688=4...(9) HG LEU 55 + QD TYR 102 OK 14 98 - 14 - 2.1/4693=3, ~10177=1...(7) HG2 LYS 123 + QD TYR 102 OK 14 100 - 14 - 2.9/11211=3, 2.9/11208=3...(5) HG3 LYS 96 + QD TYR 102 OK 10 100 - 10 - 5.0/4698=7 HB3 LEU 70 - QD TYR 102 lone 10 100 - 10 - 3.1/4691=2, 3.1/4691=2, ~11369=1 HG12 ILE 116 - QD TYR 102 lone 5 87 - 6 - 2.1/4693=1 HD3 LYS 106 - QD TYR 102 lone 4 92 - 4 - HD2 LYS 106 - QD TYR 102 lone 4 90 - 4 - HG2 LYS 115 - QD TYR 102 lone 3 90 - 4 - 10129/10200=1 HG2 LYS 44 - QD TYR 102 lone 2 92 - 2 - Peak 4690 from aronoe.peaks (1.42, 6.98, 132.43 ppm; 4.39 A): 3 out of 9 assignments used, quality = 0.54: HG12 ILE 56 + QD TYR 102 OK 27 94 - 28 - 3.2/4693=5, ~4628=5...(13) HB3 LEU 4 + QD TYR 102 OK 21 61 - 35 - 3.1/4693=7, ~9040=4...(14) HB2 LEU 4 + QD TYR 102 OK 21 61 - 35 - 3.1/4693=7, ~9040=4...(14) HB3 LEU 63 - QD TYR 102 lone 7 96 - 7 - 11260/4691=2, ~4606=1 HB3 GLN 83 - QD TYR 102 lone 6 100 - 6 - 1.8/4686=2, ~4619=1 HB3 LYS 61 - QD TYR 102 lone 5 81 - 6 - ~4627=1, ~4626=1 QB ALA 113 - QD TYR 102 lone 4 96 - 4 - HG3 LYS 106 - QD TYR 102 lone 4 73 - 5 - HG3 LYS 17 - QD TYR 102 lone 2 90 - 2 - Peak 4691 from aronoe.peaks (0.90, 6.98, 132.43 ppm; 4.19 A): 3 out of 8 assignments used, quality = 0.55: QG2 VAL 104 + QD TYR 102 OK 26 81 - 33 - 10245=7, 11670/2.5=6...(8) QD2 LEU 38 + QD TYR 102 OK 22 94 - 23 - 11670/2.5=4, ~9378=4...(8) HG13 ILE 54 + QD TYR 102 OK 22 84 - 26 - ~4626=6, 2.1/4694=6...(10) QD1 LEU 70 - QD TYR 102 lone 9 96 - 10 - 11369/2.5=3, 3.1/4689=1 QD2 LEU 70 - QD TYR 102 lone 9 99 - 9 - ~11369=2, 3.1/4689=1 QG2 VAL 29 - QD TYR 102 lone 5 100 - 5 - QD1 LEU 90 - QD TYR 102 lone 4 99 - 4 - ~11670=1, ~11669=1 QD2 LEU 90 - QD TYR 102 lone 4 73 - 5 - 11670/2.5=1, 11669/2.5=1 Peak 4692 from aronoe.peaks (0.78, 6.98, 132.43 ppm; 3.80 A): 6 out of 10 assignments used, quality = 0.87: QD2 LEU 80 + QD TYR 102 OK 53 100 - 53 - 2.1/9935=17, ~11694=11...(12) QD1 LEU 80 + QD TYR 102 OK 51 100 - 51 - 9935=17, 11694/2.5=15...(11) QD2 LEU 64 + QD TYR 102 OK 17 97 - 17 - 11270/4696=5...(7) QD1 ILE 7 + QD TYR 102 OK 12 94 - 13 - 11581/4694=4...(3) QD1 LEU 82 + QD TYR 102 OK 11 100 - 11 - 11397/10200=4...(5) QD1 LEU 81 + QD TYR 102 OK 11 84 - 13 - 11608/4696=7, 9765/4695=2 QD1 ILE 15 - QD TYR 102 lone 3 87 - 3 - QG1 VAL 107 - QD TYR 102 lone 2 84 - 3 - QD2 LEU 14 - QD TYR 102 lone 2 84 - 3 - QG2 VAL 32 - QD TYR 102 lone 2 84 - 2 - Peak 4693 from aronoe.peaks (0.69, 6.98, 132.43 ppm; 3.34 A): 4 out of 6 assignments used, quality = 0.88: QG2 ILE 97 + QD TYR 102 OK 79 100 - 79 - 10152=24, 10117/2.5=21...(16) QD2 LEU 4 + QD TYR 102 OK 25 97 - 25 - 3.1/4690=4, 3.1/4690=4...(11) QG2 ILE 56 + QD TYR 102 OK 18 94 - 19 - 3.2/4690=5, 4630/2.2=3...(6) QD1 LEU 55 + QD TYR 102 OK 11 100 - 11 - 4630/2.2=2, 2.1/4689=2...(4) QD1 ILE 116 - QD TYR 102 lone 4 99 - 4 - QD2 LEU 114 - QD TYR 102 lone 2 77 - 2 - Peak 4694 from aronoe.peaks (0.62, 6.98, 132.43 ppm; 3.78 A): 3 out of 5 assignments used, quality = 0.84: QG1 VAL 78 + QD TYR 102 OK 75 100 - 75 - 2.1/9872=17, 2.1/9875=17...(16) QD1 ILE 5 + QD TYR 102 OK 24 98 - 25 - 9055/2.2=5, 2.1/4688=4...(8) QD1 ILE 54 + QD TYR 102 OK 17 70 - 25 - 2.1/4691=6, ~4626=4...(10) QD1 ILE 18 - QD TYR 102 lone 3 99 - 3 - HG13 ILE 15 - QD TYR 102 lone 2 65 - 3 - Peak 4695 from aronoe.peaks (0.51, 6.98, 132.43 ppm; 4.06 A): 1 out of 1 assignment used, quality = 0.85: QD1 LEU 68 + QD TYR 102 OK 85 100 - 86 - 2.1/4696=40, 4632/2.2=25...(16) Peak 4696 from aronoe.peaks (0.39, 6.98, 132.43 ppm; 3.65 A): 1 out of 1 assignment used, quality = 0.75: QD2 LEU 68 + QD TYR 102 OK 75 98 - 77 - 2.1/4695=29, 4633/2.2=27...(13) Peak 4697 from aronoe.peaks (6.87, 6.98, 132.43 ppm; 3.55 A): 0 out of 5 assignments used, low quality = 0.40: H TYR 102 - QD TYR 102 OK 40 57 - 69 - 4.4=51, 3.0/4551=26...(4) QD TYR 76 - QD TYR 102 lone 5 81 - 6 - 9874/9875=2, 9039/4693=1 HE22 GLN 25 - QD TYR 102 lone 1 98 - 1 - HE22 GLN 62 - QD TYR 102 lone 0 57 - 1 - HD22 ASN 50 - QD TYR 102 lone 0 96 - 0 - Peak 4698 from aronoe.peaks (7.83, 6.98, 132.43 ppm; 4.21 A): 3 out of 5 assignments used, quality = 0.76: H VAL 78 + QD TYR 102 OK 51 99 - 51 - 4.0/4694=17, 3.7/9872=16...(6) H ILE 97 + QD TYR 102 OK 45 99 - 46 - 4.0/10152=19...(5) H LYS 39 + QD TYR 102 OK 11 98 - 11 - 4.8/4691=4, 1651/10200=2 H TYR 27 - QD TYR 102 lone 3 92 - 3 - 4.6/4699=2 HE21 GLN 62 - QD TYR 102 lone 1 87 - 1 - Peak 4699 from aronoe.peaks (8.32, 6.98, 132.43 ppm; 4.50 A): 1 out of 3 assignments used, quality = 0.97: H GLU 103 + QD TYR 102 OK 97 100 - 97 - 4.7=90, 652/2.5=39...(6) H GLN 28 - QD TYR 102 OK 14 65 - 21 - 5.2/4686=8, 4.0/4687=7 H MET 121 - QD TYR 102 lone 5 100 - 5 - Peak 4700 from aronoe.peaks (8.83, 6.79, 129.64 ppm; 4.05 A): 1 out of 1 assignment used, quality = 0.91: H PHE 120 + QD PHE 120 OK 91 97 - 94 - 4.5=72, 3.0/6944=35...(10) Peak 4701 from aronoe.peaks (8.70, 7.02, 129.44 ppm; 4.25 A): 1 out of 4 assignments used, quality = 0.60: H ARG 105 + HZ PHE 120 OK 60 100 - 60 - 10249=26, 10685/4711=12...(9) H ASP 110 - HZ PHE 120 lone 2 97 - 2 - H ASP 86 - HZ PHE 120 lone 1 87 - 1 - H GLU 41 - HZ PHE 120 lone 0 65 - 1 - Peak 4702 from aronoe.peaks (2.07, 6.79, 129.64 ppm; 3.99 A): 4 out of 14 assignments used, quality = 0.70: HB3 PHE 79 + QD PHE 120 OK 40 97 - 41 - ~4723=16, ~4640=13...(10) HG2 GLU 119 + QD PHE 120 OK 25 95 - 26 - 7916/4.5=11, 6926/3.7=7...(5) HB3 MET 121 + QD PHE 120 OK 23 94 - 25 - 1796/4.6=10, 759/4.5=5...(6) HB2 GLU 103 + QD PHE 120 OK 15 61 - 25 - 1.8/10213=13, ~10207=7, ~10209=6 HB2 GLU 13 - QD PHE 120 lone 5 99 - 5 - HB2 LYS 94 - QD PHE 120 lone 4 100 - 4 - 10555/3.7=1 HB2 GLU 92 - QD PHE 120 lone 3 77 - 4 - 4729/2.2=1 HB3 GLU 91 - QD PHE 120 lone 3 100 - 3 - HB3 GLU 112 - QD PHE 120 lone 3 77 - 3 - HB2 GLU 112 - QD PHE 120 lone 3 73 - 3 - HB2 GLN 28 - QD PHE 120 lone 2 98 - 2 - HB3 MET 67 - QD PHE 120 lone 2 61 - 3 - HB2 GLU 47 - QD PHE 120 lone 1 87 - 1 - HB3 GLU 98 - QD PHE 120 lone 1 77 - 1 - Peak 4703 from aronoe.peaks (1.93, 6.79, 129.64 ppm; 4.28 A): 5 out of 16 assignments used, quality = 0.94: HB2 LEU 81 + QD PHE 120 OK 74 97 - 77 - 9944/2.2=17, ~4739=17...(12) HB2 LYS 123 + QD PHE 120 OK 35 95 - 37 - 3.8/11209=9, 3.8/4704=8...(9) HB ILE 15 + QD PHE 120 OK 34 89 - 38 - 2.1/4707=7, 8299/3.7=6...(11) HB3 LYS 123 + QD PHE 120 OK 30 87 - 35 - 3.8/11209=9, 3.8/4704=8...(8) HG2 MET 121 + QD PHE 120 OK 27 94 - 29 - 1797/4.6=10, 3.0/4702=6...(7) HB3 LYS 65 - QD PHE 120 lone 9 97 - 9 - 1.8/11057=2, 11057=1...(4) HB2 LYS 65 - QD PHE 120 lone 8 95 - 9 - 1.8/11057=2, 11057=1...(4) HB3 LYS 17 - QD PHE 120 lone 5 99 - 5 - HB2 LYS 115 - QD PHE 120 lone 5 100 - 5 - HB3 LYS 115 - QD PHE 120 lone 4 95 - 5 - HB2 LYS 39 - QD PHE 120 lone 3 95 - 3 - HB2 LEU 127 - QD PHE 120 lone 3 97 - 3 - HB2 LYS 44 - QD PHE 120 lone 2 77 - 3 - HB2 LYS 43 - QD PHE 120 lone 2 61 - 3 - HB3 LYS 40 - QD PHE 120 lone 2 61 - 3 - HB2 LEU 70 - QD PHE 120 lone 1 73 - 2 - Peak 4704 from aronoe.peaks (1.85, 6.79, 129.64 ppm; 4.24 A): 3 out of 9 assignments used, quality = 0.69: HB2 ARG 105 + QD PHE 120 OK 40 94 - 43 - 3.0/4705=10, ~10252=10...(7) HD2 LYS 123 + QD PHE 120 OK 34 99 - 35 - 1.8/11209=10...(7) QE MET 121 + QD PHE 120 OK 20 65 - 31 - 7020/4.6=11, 11470/3.7=6...(6) HB2 LYS 77 - QD PHE 120 lone 5 99 - 5 - 3.6/4706=1, 3.6/4706=1 HB3 LYS 77 - QD PHE 120 lone 5 97 - 5 - 3.6/4706=1, 3.6/4706=1 HG LEU 127 - QD PHE 120 lone 2 92 - 2 - HB3 LYS 19 - QD PHE 120 lone 2 80 - 2 - HG LEU 70 - QD PHE 120 lone 2 100 - 2 - QE MET 42 - QD PHE 120 lone 1 65 - 1 - Peak 4705 from aronoe.peaks (1.76, 6.79, 129.64 ppm; 4.23 A): 4 out of 10 assignments used, quality = 0.89: HG3 ARG 105 + QD PHE 120 OK 61 99 - 61 - 10255/3.8=14...(9) HG12 ILE 18 + QD PHE 120 OK 44 95 - 46 - 2.1/4709=10, 1.8/4708=7...(12) HD3 LYS 123 + QD PHE 120 OK 31 94 - 33 - 1.8/4704=12, 11209=9...(6) HB2 LEU 55 + QD PHE 120 OK 30 99 - 30 - 1.8/9517=8, 9515=7...(6) HB2 LEU 80 - QD PHE 120 lone 7 99 - 7 - ~9934=7 HB2 LEU 68 - QD PHE 120 lone 4 92 - 5 - ~9748=4 HG2 LYS 17 - QD PHE 120 lone 2 100 - 2 - HB2 LEU 90 - QD PHE 120 lone 1 61 - 2 - 8166/3.7=1 HB3 LYS 49 - QD PHE 120 lone 1 100 - 1 - HB VAL 32 - QD PHE 120 lone 1 61 - 1 - Peak 4706 from aronoe.peaks (1.62, 6.79, 129.64 ppm; 4.48 A): 3 out of 9 assignments used, quality = 0.81: HB ILE 116 + QD PHE 120 OK 66 89 - 74 - 2.1/4710=42, ~4734=27...(9) HB3 LEU 64 + QD PHE 120 OK 32 92 - 35 - ~9693=8, ~4732=8...(9) HB2 LEU 82 + QD PHE 120 OK 17 100 - 17 - ~9981=4, ~11604=4...(5) HD3 LYS 77 - QD PHE 120 lone 7 99 - 7 - 3.6/4704=1, 3.6/4704=1 HD2 LYS 77 - QD PHE 120 lone 7 99 - 7 - 3.6/4704=1, 3.6/4704=1 HG LEU 63 - QD PHE 120 lone 3 100 - 3 - HG3 LYS 40 - QD PHE 120 lone 2 100 - 2 - HG2 LYS 16 - QD PHE 120 lone 2 95 - 2 - HB3 LEU 127 - QD PHE 120 lone 2 98 - 2 - Peak 4707 from aronoe.peaks (0.84, 6.79, 129.64 ppm; 3.22 A): 4 out of 8 assignments used, quality = 0.88: QG2 ILE 5 + QD PHE 120 OK 51 100 - 51 - 9048/2.2=10, 9049=7...(19) HG13 ILE 5 + QD PHE 120 OK 49 100 - 49 - 2.1/4709=9, ~11357=5...(18) QG2 VAL 22 + QD PHE 120 OK 31 89 - 35 - 10870/2.4=14, 2.1/4709=4...(10) QG2 ILE 15 + QD PHE 120 OK 28 99 - 28 - 9048/2.2=4, 9049=4...(13) QG2 ILE 57 - QD PHE 120 lone 8 100 - 8 - 11687/2.4=2, ~9559=2 HG13 ILE 57 - QD PHE 120 lone 6 73 - 8 - ~9559=2, ~11687=2 QD2 LEU 82 - QD PHE 120 lone 5 65 - 8 - 9981/2.2=3, ~11604=2, 3.1/4706=2 QD1 LEU 14 - QD PHE 120 lone 3 73 - 4 - Peak 4708 from aronoe.peaks (0.73, 6.79, 129.64 ppm; 3.97 A): 4 out of 11 assignments used, quality = 0.94: QG1 VAL 117 + QD PHE 120 OK 75 95 - 79 - 3.2/4720=32, 10531=16...(13) HG13 ILE 18 + QD PHE 120 OK 46 100 - 46 - 2.1/4709=9, 1.8/4705=8...(13) QG2 ILE 18 + QD PHE 120 OK 37 89 - 41 - 2.9/4709=7, ~7985=7...(12) QD2 LEU 55 + QD PHE 120 OK 30 97 - 31 - 2.1/9523=7, 3.1/9517=6...(9) QG2 ILE 7 - QD PHE 120 OK 23 77 - 29 - 3.3/9083=13, ~9084=8...(6) QD1 LEU 6 - QD PHE 120 OK 19 80 - 23 - 9069/2.2=11, 9068/3.8=10...(4) QD2 LEU 6 - QD PHE 120 OK 17 98 - 18 - ~9069=10, 10589/4.6=2, ~10565=1 QG2 ILE 54 - QD PHE 120 poor 10 69 - 14 - 4.4/9508=5, 4.0/9480=2 QG2 VAL 78 - QD PHE 120 lone 5 99 - 5 - 2.1/4709=2 QD2 LEU 45 - QD PHE 120 lone 5 99 - 5 - 9448/2.2=2 QD1 LEU 63 - QD PHE 120 lone 4 87 - 4 - Peak 4709 from aronoe.peaks (0.62, 6.79, 129.64 ppm; 3.80 A): 5 out of 7 assignments used, quality = 0.93: QD1 ILE 5 + QD PHE 120 OK 68 100 - 68 - 11357/2.2=12...(19) QD1 ILE 18 + QD PHE 120 OK 47 92 - 51 - 9192/2.4=8, 2.1/4705=7...(16) QG1 VAL 22 + QD PHE 120 OK 34 77 - 45 - ~10870=14, 2.1/4707=7...(12) HG13 ILE 15 + QD PHE 120 OK 28 84 - 34 - ~2714=5, 3.2/4707=5...(13) QD1 ILE 54 + QD PHE 120 OK 11 87 - 12 - 4.8/9480=2, 11352/2.4=2...(4) QG1 VAL 78 - QD PHE 120 lone 9 95 - 9 - 11581/9083=2, 10590/4.6=1 QD1 LEU 4 - QD PHE 120 lone 2 61 - 3 - Peak 4710 from aronoe.peaks (0.06, 6.79, 129.64 ppm; 4.02 A): 1 out of 1 assignment used, quality = 0.61: QG2 ILE 116 + QD PHE 120 OK 61 84 - 73 - 4734/2.2=23, 4717/3.8=22...(15) Peak 4711 from aronoe.peaks (5.27, 7.02, 129.44 ppm; 4.47 A): 1 out of 2 assignments used, quality = 0.86: HA LEU 81 + HZ PHE 120 OK 86 100 - 86 - 4739/2.2=34, ~4738=17...(16) HA GLN 83 - HZ PHE 120 lone 7 87 - 8 - 4739/2.2=2, 10473/4717=1...(4) Peak 4712 from aronoe.peaks (2.10, 7.02, 129.44 ppm; 4.50 A): 0 out of 18 assignments used, low quality = 0.17: HB2 GLU 103 - HZ PHE 120 OK 17 84 - 21 - ~10207=9, ~10209=8, 10572/3.8=4 HB3 GLU 119 - HZ PHE 120 lone 7 81 - 9 - 11199/4717=3, 758/8.2=3, ~4729=1 HB2 GLU 119 - HZ PHE 120 lone 6 70 - 9 - 11199/4717=3, 758/8.2=3, ~4729=1 HB3 GLU 66 - HZ PHE 120 lone 5 97 - 5 - 10572/3.8=1, ~4729=1 HB3 GLU 92 - HZ PHE 120 lone 5 97 - 5 - ~4729=1 HB2 GLU 112 - HZ PHE 120 lone 4 73 - 5 - 10490/4717=2 HB3 GLU 112 - HZ PHE 120 lone 4 70 - 5 - 10490/4717=2 HB VAL 107 - HZ PHE 120 lone 3 73 - 4 - 11607/4716=3 HB2 GLU 111 - HZ PHE 120 lone 3 100 - 3 - HG3 GLN 83 - HZ PHE 120 lone 2 70 - 3 - 3.9/4711=2 HB2 GLU 87 - HZ PHE 120 lone 2 98 - 2 - HG3 GLU 21 - HZ PHE 120 lone 2 99 - 2 - HG2 GLU 21 - HZ PHE 120 lone 2 98 - 2 - HB2 LEU 38 - HZ PHE 120 lone 2 81 - 2 - HG2 GLU 52 - HZ PHE 120 lone 1 100 - 1 - HB3 GLU 69 - HZ PHE 120 lone 1 90 - 2 - HB3 GLU 47 - HZ PHE 120 lone 1 92 - 1 - HB2 GLU 21 - HZ PHE 120 lone 1 73 - 1 - Peak 4713 from aronoe.peaks (1.89, 7.02, 129.44 ppm; 4.33 A): 0 out of 19 assignments used, low quality = 0.15: HB ILE 7 - HZ PHE 120 OK 15 100 - 16 - ~9084=10, 4731/2.2=3 HG LEU 45 - HZ PHE 120 lone 4 94 - 4 - ~9448=2 HB2 LEU 45 - HZ PHE 120 lone 3 84 - 4 - ~9448=2, 4731/2.2=1 HB ILE 71 - HZ PHE 120 lone 3 99 - 3 - ~4732=1 HB3 LYS 43 - HZ PHE 120 lone 2 92 - 2 - HB2 LYS 43 - HZ PHE 120 lone 1 73 - 2 - HB3 LYS 73 - HZ PHE 120 lone 1 100 - 1 - HB2 LYS 73 - HZ PHE 120 lone 1 99 - 1 - HB2 ARG 95 - HZ PHE 120 lone 1 98 - 1 - HB3 LYS 20 - HZ PHE 120 lone 1 100 - 1 - HB2 LYS 20 - HZ PHE 120 lone 1 100 - 1 - HB2 GLU 128 - HZ PHE 120 lone 1 92 - 1 - HB3 LYS 16 - HZ PHE 120 lone 1 92 - 1 - HB2 LYS 16 - HZ PHE 120 lone 1 90 - 1 - QE MET 67 - HZ PHE 120 lone 1 90 - 1 - HB3 LYS 44 - HZ PHE 120 lone 1 77 - 1 - HB2 LYS 49 - HZ PHE 120 lone 1 96 - 1 - HB2 LYS 96 - HZ PHE 120 lone 1 92 - 1 - HG2 ARG 95 - HZ PHE 120 lone 1 77 - 1 - Peak 4714 from aronoe.peaks (1.80, 7.02, 129.44 ppm; 3.79 A): 3 out of 8 assignments used, quality = 0.81: HG2 ARG 105 + HZ PHE 120 OK 65 94 - 69 - 1.8/10255=16...(13) HB2 LEU 64 + HZ PHE 120 OK 29 97 - 29 - ~9693=6, 3.1/4716=5...(8) HG12 ILE 5 + HZ PHE 120 OK 25 90 - 28 - ~11357=8, 4728/2.2=8...(5) HB ILE 97 - HZ PHE 120 lone 4 87 - 5 - ~10142=2, 4728/2.2=1 HB ILE 3 - HZ PHE 120 lone 2 92 - 2 - HB2 LYS 19 - HZ PHE 120 lone 1 96 - 1 - HB2 ARG 118 - HZ PHE 120 lone 1 100 - 1 - HB3 GLN 28 - HZ PHE 120 lone 1 84 - 1 - Peak 4715 from aronoe.peaks (1.35, 7.02, 129.44 ppm; 4.44 A): 2 out of 4 assignments used, quality = 0.97: HB3 LEU 81 + HZ PHE 120 OK 84 94 - 89 - 3.0/4711=29, 4727/2.2=20...(15) HG LEU 81 + HZ PHE 120 OK 84 100 - 84 - 4.3/4711=22, 2.1/4716=22...(12) HG3 LYS 65 - HZ PHE 120 lone 9 100 - 9 - 10805/4716=2, 4727/2.2=2...(4) HG2 LYS 77 - HZ PHE 120 lone 5 96 - 5 - 4727/2.2=1 Peak 4716 from aronoe.peaks (0.80, 7.02, 129.44 ppm; 4.04 A): 3 out of 6 assignments used, quality = 0.86: QD1 LEU 81 + HZ PHE 120 OK 75 97 - 78 - 11603/2.2=21...(13) QD2 LEU 64 + HZ PHE 120 OK 29 84 - 35 - 9693/2.2=11, ~4732=8...(6) QD1 LEU 64 + HZ PHE 120 OK 19 65 - 29 - 4732/2.2=11, ~9693=9...(5) QD1 LEU 82 - HZ PHE 120 poor 9 65 - 14 - ~9981=4, 11604/2.2=3...(5) QD1 LEU 114 - HZ PHE 120 lone 3 94 - 3 - 11019/4714=1 QG1 VAL 29 - HZ PHE 120 lone 2 99 - 2 - Peak 4717 from aronoe.peaks (0.05, 7.02, 129.44 ppm; 4.07 A): 1 out of 1 assignment used, quality = 0.76: QG2 ILE 116 + HZ PHE 120 OK 76 99 - 77 - 4734/2.2=35, 10466=26...(14) Peak 4718 from aronoe.peaks (0.11, 6.79, 132.65 ppm; 4.65 A): 1 out of 1 assignment used, quality = 0.84: HB2 LYS 53 + QD TYR 27 OK 84 99 - 85 - 2.8/4584=33, 4719/2.2=32...(8) Peak 4719 from aronoe.peaks (0.11, 6.58, 117.79 ppm; 4.99 A): 1 out of 1 assignment used, quality = 0.92: HB2 LYS 53 + QE TYR 27 OK 92 100 - 92 - 4718/2.2=39, ~4584=24...(10) Peak 4720 from aronoe.peaks (3.26, 6.79, 129.64 ppm; 3.53 A): 1 out of 1 assignment used, quality = 0.81: HA VAL 117 + QD PHE 120 OK 81 100 - 81 - 8276/2.4=30, 10528=22...(15) Peak 4721 from aronoe.peaks (0.52, 7.08, 129.17 ppm; 4.72 A): 0 out of 1 assignment used, low quality = 0.38: QD1 LEU 68 - HZ PHE 93 OK 38 84 - 45 - 2.1/4741=20, ~9748=11...(6) Peak 4723 from aronoe.peaks (6.72, 7.14, 131.36 ppm; 4.03 A): 0 out of 3 assignments used, low quality = 0.38: QD PHE 79 - QE PHE 120 OK 38 99 - 38 - 4640/4.4=15, ~11693=8...(8) QE TYR 102 - QE PHE 120 lone 5 100 - 5 - 4633/9748=2 QE TYR 76 - QE PHE 120 lone 3 100 - 3 - Peak 4725 from aronoe.peaks (8.31, 6.86, 132.04 ppm; 4.31 A): 1 out of 4 assignments used, quality = 0.61: H LYS 77 + QD TYR 76 OK 61 65 - 92 - 4.7=77, 3.6/4520=33...(5) H GLU 103 - QD TYR 76 lone 3 92 - 4 - 4.7/4697=2, 10215/9039=1 H MET 121 - QD TYR 76 lone 2 94 - 2 - H GLU 13 - QD TYR 76 lone 1 61 - 1 - Peak 4727 from aronoe.peaks (1.35, 7.14, 131.36 ppm; 3.54 A): 2 out of 6 assignments used, quality = 0.92: HB3 LEU 81 + QE PHE 120 OK 77 100 - 77 - 3.0/4739=18...(16) HG LEU 81 + QE PHE 120 OK 68 93 - 73 - 2.1/11603=18...(15) HG3 LYS 65 - QE PHE 120 lone 8 89 - 9 - 10805/11603=2...(4) HG2 LYS 77 - QE PHE 120 lone 4 100 - 4 - HG3 LYS 43 - QE PHE 120 lone 1 76 - 2 - HG2 LYS 94 - QE PHE 120 lone 1 80 - 1 - Peak 4728 from aronoe.peaks (1.80, 7.14, 131.36 ppm; 3.66 A): 5 out of 9 assignments used, quality = 0.93: HG2 ARG 105 + QE PHE 120 OK 61 100 - 61 - 4714/2.2=15, ~10255=10...(13) HG12 ILE 5 + QE PHE 120 OK 50 99 - 51 - 2.1/11357=7, ~4707=7...(13) HB3 ARG 105 + QE PHE 120 OK 43 83 - 52 - 3.8/10257=9, 3.0/10252=8...(12) HB2 LEU 64 + QE PHE 120 OK 29 80 - 37 - 3.1/4732=10, 3.1/9693=9...(7) HB ILE 18 + QE PHE 120 OK 13 65 - 20 - 7985/4.4=4, ~4705=3...(8) HB ILE 97 - QE PHE 120 lone 7 98 - 7 - 3.2/10142=2, 4645/4723=1 HB ILE 3 - QE PHE 120 lone 6 99 - 6 - 4645/4723=2, ~9020=2 HB2 ARG 118 - QE PHE 120 lone 2 99 - 2 - HB2 LYS 19 - QE PHE 120 lone 2 76 - 2 - Peak 4729 from aronoe.peaks (2.06, 7.14, 131.36 ppm; 4.00 A): 2 out of 20 assignments used, quality = 0.62: HB VAL 117 + QE PHE 120 OK 51 91 - 56 - ~4720=18, ~10528=12...(8) HB3 PHE 79 + QE PHE 120 OK 23 65 - 36 - 2.4/4723=27, 4702/2.2=8 HG2 GLU 119 - QE PHE 120 poor 8 61 - 13 - 4702/2.2=5, 7916/6.5=4...(4) HB2 GLU 92 - QE PHE 120 lone 5 99 - 5 - ~4712=1 HB2 GLU 66 - QE PHE 120 lone 5 69 - 7 - 11059/2.2=2, ~4712=2, ~10572=1 HB2 LYS 94 - QE PHE 120 lone 3 83 - 4 - HB3 MET 67 - QE PHE 120 lone 3 95 - 3 - 11564/9069=1 HB2 GLU 13 - QE PHE 120 lone 3 96 - 3 - 4702/2.2=1 HB3 GLN 100 - QE PHE 120 lone 2 93 - 3 - HB2 GLU 89 - QE PHE 120 lone 2 69 - 3 - ~11059=1 HB3 GLU 89 - QE PHE 120 lone 2 69 - 3 - ~11059=1 HB2 GLN 28 - QE PHE 120 lone 2 98 - 2 - HB3 GLU 91 - QE PHE 120 lone 1 86 - 2 - HB2 GLU 47 - QE PHE 120 lone 1 100 - 1 - HB3 GLU 87 - QE PHE 120 lone 1 69 - 2 - HG3 GLU 52 - QE PHE 120 lone 1 83 - 1 - HB3 GLU 98 - QE PHE 120 lone 1 99 - 1 - HB3 GLN 85 - QE PHE 120 lone 1 69 - 1 - HB2 GLU 48 - QE PHE 120 lone 0 69 - 1 - HB3 GLU 48 - QE PHE 120 lone 0 69 - 1 - Peak 4730 from aronoe.peaks (1.63, 7.14, 131.36 ppm; 4.14 A): 4 out of 15 assignments used, quality = 0.96: HB ILE 116 + QE PHE 120 OK 80 99 - 81 - 2.1/4734=38, ~4710=23...(11) HB ILE 5 + QE PHE 120 OK 45 86 - 53 - 2.9/4728=8, ~9049=8...(11) HG LEU 64 + QE PHE 120 OK 40 95 - 42 - 2.1/9693=15, 2.1/4732=14...(7) HB3 LEU 64 + QE PHE 120 OK 39 98 - 40 - 3.1/9693=12, 3.1/4732=12...(8) HB2 LEU 82 - QE PHE 120 OK 14 83 - 17 - 3.1/11604=4, 3.1/9981=4...(6) HD2 LYS 77 - QE PHE 120 lone 8 91 - 8 - 9851/4723=1, ~4706=1 HD3 LYS 77 - QE PHE 120 lone 7 89 - 8 - 9851/4723=1, ~4706=1 HD3 LYS 65 - QE PHE 120 lone 6 69 - 9 - 1.8/11594=2, 3.0/4727=2, 11594=1 HG LEU 63 - QE PHE 120 lone 2 80 - 2 - HG LEU 114 - QE PHE 120 lone 2 69 - 3 - HG2 LYS 16 - QE PHE 120 lone 2 96 - 2 - HG LEU 90 - QE PHE 120 lone 2 98 - 2 - HG3 LYS 40 - QE PHE 120 lone 1 80 - 2 - HD3 LYS 49 - QE PHE 120 lone 0 61 - 1 - HD2 LYS 49 - QE PHE 120 lone 0 61 - 1 - Peak 4731 from aronoe.peaks (1.91, 7.14, 131.36 ppm; 3.94 A): 5 out of 20 assignments used, quality = 0.85: HB2 LEU 81 + QE PHE 120 OK 69 80 - 87 - 3.0/4739=23, 1.8/4727=20...(16) HB ILE 7 + QE PHE 120 OK 22 83 - 26 - ~9083=9, 3.2/9084=8...(5) HB ILE 15 + QE PHE 120 OK 19 91 - 21 - ~4707=4, ~9049=4...(8) HG2 MET 121 + QE PHE 120 OK 13 86 - 15 - ~10581=4, ~4702=3...(5) HB3 LYS 123 + QE PHE 120 OK 13 93 - 14 - ~11057=4, ~4703=3...(5) HB2 LEU 45 - QE PHE 120 lone 7 100 - 7 - 9441/4723=2, 4713/2.2=1, ~4713=1 HB ILE 71 - QE PHE 120 lone 4 93 - 5 - 2.1/4732=2, 4713/2.2=1 HB2 LYS 43 - QE PHE 120 lone 3 100 - 3 - HB3 LYS 43 - QE PHE 120 lone 3 99 - 3 - HB3 LYS 17 - QE PHE 120 lone 2 69 - 4 - HB2 ARG 95 - QE PHE 120 lone 2 95 - 2 - HB2 LYS 73 - QE PHE 120 lone 2 91 - 2 - HB3 LYS 73 - QE PHE 120 lone 2 89 - 2 - HB3 LYS 44 - QE PHE 120 lone 1 100 - 1 - HB2 GLU 128 - QE PHE 120 lone 1 99 - 1 - HB2 LYS 44 - QE PHE 120 lone 1 98 - 1 - HB2 LYS 20 - QE PHE 120 lone 1 76 - 2 - HB3 LYS 20 - QE PHE 120 lone 1 76 - 2 - HB2 LYS 49 - QE PHE 120 lone 1 98 - 1 - HB2 LYS 96 - QE PHE 120 lone 1 99 - 1 - Peak 4732 from aronoe.peaks (0.81, 7.14, 131.36 ppm; 3.43 A): 2 out of 8 assignments used, quality = 0.64: QD1 LEU 81 + QE PHE 120 OK 47 65 - 72 - 3.9/4739=14, 2.1/4727=13...(14) QD1 LEU 64 + QE PHE 120 OK 32 96 - 33 - 2.1/9693=10, 9692=4...(9) QD2 LEU 82 - QE PHE 120 poor 7 65 - 10 - 2.1/11604=3, 9981=2...(5) QG2 ILE 71 - QE PHE 120 lone 4 91 - 4 - 9775/9748=1 QD1 LEU 74 - QE PHE 120 lone 3 91 - 3 - 9818/4723=2 QD1 LEU 114 - QE PHE 120 lone 2 100 - 2 - QD2 LEU 74 - QE PHE 120 lone 1 86 - 1 - QG1 VAL 29 - QE PHE 120 lone 1 96 - 1 - Peak 4734 from aronoe.peaks (0.04, 7.14, 131.36 ppm; 3.92 A): 1 out of 1 assignment used, quality = 0.76: QG2 ILE 116 + QE PHE 120 OK 76 100 - 77 - 4717/2.2=31, 4710/2.2=21...(18) Peak 4735 from aronoe.peaks (0.74, 6.72, 118.20 ppm; 3.18 A): 5 out of 20 assignments used, quality = 0.82: QD2 LEU 45 + QE TYR 76 OK 38 71 - 54 - ~9446=9, 2.1/9445=9...(13) QG2 VAL 78 + QE TYR 102 OK 38 80 - 47 - ~4694=9, ~9872=8...(11) QD1 LEU 45 + QE TYR 76 OK 33 68 - 49 - 2.1/9450=9, 3.1/4623=8...(11) QG2 VAL 78 + QE TYR 76 OK 20 71 - 28 - 9874/2.2=9, 9873=4...(7) QG2 ILE 54 + QE TYR 102 OK 14 97 - 14 - 3.2/4626=4, 9492=2...(6) QD2 LEU 55 - QE TYR 102 lone 8 100 - 8 - 2.1/4630=2, ~4693=1, 2.1/4625=1 QD2 LEU 6 - QE TYR 102 lone 7 99 - 7 - 11343/4633=5 QD1 LEU 63 - QE TYR 102 lone 6 100 - 6 - 11343/4633=2 QG2 ILE 54 - QE TYR 76 lone 6 89 - 7 - 3.2/4626=1, 4389/4631=1 QG2 ILE 7 - QE TYR 102 lone 5 99 - 5 - 3.2/4626=1, 11582/9878=1 QD2 LEU 45 - QE TYR 102 lone 5 80 - 6 - 2.1/9445=1, 3.1/9443=1 QG2 ILE 7 - QE TYR 76 lone 5 91 - 5 - 3.2/4626=1 QD1 LEU 45 - QE TYR 102 lone 5 77 - 6 - 2.1/9450=1, 3.1/9443=1 QD1 LEU 63 - QE TYR 76 lone 4 94 - 4 - QD2 LEU 6 - QE TYR 76 lone 3 92 - 4 - 11343/4633=1 QD2 LEU 55 - QE TYR 76 lone 2 93 - 3 - HG13 ILE 18 - QE TYR 102 lone 2 92 - 2 - HG13 ILE 18 - QE TYR 76 lone 1 83 - 1 - QG1 VAL 117 - QE TYR 102 lone 1 65 - 1 - QG1 VAL 117 - QE TYR 76 lone 0 57 - 1 - Peak 4738 from aronoe.peaks (9.06, 7.14, 131.36 ppm; 5.08 A): 1 out of 2 assignments used, quality = 0.90: H LEU 81 + QE PHE 120 OK 90 100 - 90 - 3.0/4739=37, ~4711=24...(12) H LEU 4 - QE PHE 120 lone 2 65 - 3 - Peak 4739 from aronoe.peaks (5.27, 7.14, 131.36 ppm; 4.48 A): 1 out of 2 assignments used, quality = 0.89: HA LEU 81 + QE PHE 120 OK 89 99 - 89 - 4711/2.2=34, 3.0/4738=26...(14) HA GLN 83 - QE PHE 120 lone 6 86 - 7 - 4711/2.2=3, 10473/4734=1 Peak 4740 from aronoe.peaks (1.65, 7.22, 131.52 ppm; 4.65 A): 4 out of 12 assignments used, quality = 0.83: HG LEU 64 + QD PHE 93 OK 52 83 - 63 - ~9693=16, ~9692=16...(12) HD2 LYS 65 + QD PHE 93 OK 32 99 - 32 - 11594/2.2=13, ~11594=9...(6) HD3 LYS 65 + QD PHE 93 OK 31 98 - 32 - 11594/2.2=13, ~11594=9...(6) HG LEU 90 + QD PHE 93 OK 25 74 - 35 - 2.1/10073=12...(5) HD2 LYS 115 - QD PHE 93 lone 9 98 - 9 - 11594/2.2=3...(3) HD3 LYS 115 - QD PHE 93 lone 9 97 - 9 - 11594/2.2=3, ~11594=2 HG LEU 114 - QD PHE 93 lone 5 98 - 5 - HB ILE 5 - QD PHE 93 lone 5 93 - 5 - ~9048=2, ~11357=1 HB2 ARG 30 - QD PHE 93 lone 2 99 - 2 - HD3 LYS 49 - QD PHE 93 lone 2 99 - 2 - HD2 LYS 49 - QD PHE 93 lone 2 99 - 2 - HB2 GLU 52 - QD PHE 93 lone 1 98 - 1 - Peak 4741 from aronoe.peaks (0.38, 7.08, 129.17 ppm; 4.76 A): 2 out of 2 assignments used, quality = 0.76: QD2 LEU 68 + HZ PHE 93 OK 56 100 - 56 - 2.1/4721=38, 9748/2.2=14...(7) QD1 ILE 97 + HZ PHE 93 OK 46 65 - 70 - ~4678=25, 4742/2.2=21...(10) Peak 4742 from aronoe.peaks (0.37, 7.14, 130.55 ppm; 4.51 A): 2 out of 2 assignments used, quality = 0.89: QD1 ILE 97 + QE PHE 93 OK 77 94 - 82 - 2.1/4678=35...(13) QD2 LEU 68 + QE PHE 93 OK 50 87 - 57 - ~4721=23, 4741/2.2=16...(10) Average quality of peak assignments : 0.885 Average number of used assignments : 2.095 Average rank of reference assignment: 1.113 Peaks with increased upper limit : 0 Peaks with decreased upper limit : 0 Peaks: selected : 9459 in nnoeabs.peaks : 2125 in cnoeabs.peaks : 7125 in aronoe.peaks : 209 assigned : 9174 unassigned : 285 without assignment possibility : 20 with violation below 0.5 A : 265 with violation between 0.5 and 3.0 A : 0 with violation above 3.0 A : 0 in nnoeabs.peaks : 38 in cnoeabs.peaks : 228 in aronoe.peaks : 19 with diagonal assignment : 1019 Cross peaks: with off-diagonal assignment : 8155 with unique assignment : 3938 with short-range assignment |i-j|<=1: 6146 with medium-range assignment 1<|i-j|<5 : 1048 with long-range assignment |i-j|>=5: 961 Comparison with reference assignment: Cross peaks with reference assignment : 6307 with identical reference assignment : 3360 with compatible reference assignment : 6035 with incompatible reference assignment : 84 with additional reference assignment : 12 with additional assignment : 2036